smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)cc(C)[nH+]1 ZINC001605662276 1097183675 /nfs/dbraw/zinc/18/36/75/1097183675.db2.gz YJDACVMVDMBKLE-UHFFFAOYSA-N 1 2 339.359 2.707 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796666913 1099290613 /nfs/dbraw/zinc/29/06/13/1099290613.db2.gz FEEKZULDVCIJGI-HUUCEWRRSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796666913 1099290618 /nfs/dbraw/zinc/29/06/18/1099290618.db2.gz FEEKZULDVCIJGI-HUUCEWRRSA-N 1 2 332.360 2.547 20 5 EFBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167993249 1099746259 /nfs/dbraw/zinc/74/62/59/1099746259.db2.gz WBWTWSHWJYMNFS-UHFFFAOYSA-N 1 2 332.320 2.770 20 5 EFBDLO C[C@@H]1[C@H](C)C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H]1C ZINC000841694950 1104627556 /nfs/dbraw/zinc/62/75/56/1104627556.db2.gz YRYSDRFHTOVRRL-MCIONIFRSA-N 1 2 342.399 2.752 20 5 EFBDLO C[C@@H]1[C@H](C)C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H]1C ZINC000841694950 1104627561 /nfs/dbraw/zinc/62/75/61/1104627561.db2.gz YRYSDRFHTOVRRL-MCIONIFRSA-N 1 2 342.399 2.752 20 5 EFBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCCn1cc[nH+]c1 ZINC001106793323 1111839790 /nfs/dbraw/zinc/83/97/90/1111839790.db2.gz GUGXDYXKVHTTND-UHFFFAOYSA-N 1 2 345.403 2.532 20 5 EFBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCCn1cc[nH+]c1 ZINC001106793380 1111840003 /nfs/dbraw/zinc/84/00/03/1111840003.db2.gz JLKOHZUSFVUSKA-UHFFFAOYSA-N 1 2 345.403 2.532 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000052245287 214124117 /nfs/dbraw/zinc/12/41/17/214124117.db2.gz RONPCZSIASCVRB-CYBMUJFWSA-N 1 2 328.372 2.827 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C ZINC000183337726 235016953 /nfs/dbraw/zinc/01/69/53/235016953.db2.gz ORUTYNRJMUOCML-JTQLQIEISA-N 1 2 342.359 2.538 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183377359 235035957 /nfs/dbraw/zinc/03/59/57/235035957.db2.gz DDPWKTUBFWIQAB-JTQLQIEISA-N 1 2 342.359 2.538 20 5 EFBDLO COCC[N@H+](Cc1ccco1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184243334 235344842 /nfs/dbraw/zinc/34/48/42/235344842.db2.gz AZZZDJXPMFQIND-UHFFFAOYSA-N 1 2 338.335 2.984 20 5 EFBDLO COCC[N@@H+](Cc1ccco1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184243334 235344844 /nfs/dbraw/zinc/34/48/44/235344844.db2.gz AZZZDJXPMFQIND-UHFFFAOYSA-N 1 2 338.335 2.984 20 5 EFBDLO Cc1cc(N)nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH+]1 ZINC000031745945 202210165 /nfs/dbraw/zinc/21/01/65/202210165.db2.gz BLNWLQVAJRGKOO-UHFFFAOYSA-N 1 2 347.400 2.705 20 5 EFBDLO Cc1cc(N)nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH+]1 ZINC000031845386 202211004 /nfs/dbraw/zinc/21/10/04/202211004.db2.gz LJMHGBXZPBXXTP-UHFFFAOYSA-N 1 2 344.356 2.618 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000162468739 239090034 /nfs/dbraw/zinc/09/00/34/239090034.db2.gz RVIOPNSBTALZLG-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000162658912 239093016 /nfs/dbraw/zinc/09/30/16/239093016.db2.gz NIPJPGOUQBQFHP-HNNXBMFYSA-N 1 2 342.355 2.983 20 5 EFBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000022457867 212298036 /nfs/dbraw/zinc/29/80/36/212298036.db2.gz OSOZTDFHQDILEI-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000194038083 240135617 /nfs/dbraw/zinc/13/56/17/240135617.db2.gz WZWHAOQSPIUPAC-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000365008965 242314113 /nfs/dbraw/zinc/31/41/13/242314113.db2.gz DIPJEAHYRDFEPL-HNNXBMFYSA-N 1 2 330.388 2.605 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412112757 243148808 /nfs/dbraw/zinc/14/88/08/243148808.db2.gz HLEGOEQKGYNYSO-JKSUJKDBSA-N 1 2 340.383 2.712 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(O[C@H]4CCOC4)CC3)c2c1 ZINC000413172221 243516363 /nfs/dbraw/zinc/51/63/63/243516363.db2.gz NRCWAWTXNBJGKV-INIZCTEOSA-N 1 2 343.383 2.917 20 5 EFBDLO CCc1cc(NCCC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000069739070 203043727 /nfs/dbraw/zinc/04/37/27/203043727.db2.gz JDNDZEFDWYIBJE-XMMPIXPASA-N 1 2 348.428 2.795 20 5 EFBDLO CCC[C@H]([NH2+]Cc1nc2ncccn2n1)c1cccc([N+](=O)[O-])c1 ZINC000414272072 244071250 /nfs/dbraw/zinc/07/12/50/244071250.db2.gz RCBSPBACLWNNLL-AWEZNQCLSA-N 1 2 326.360 2.664 20 5 EFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000072286713 203192926 /nfs/dbraw/zinc/19/29/26/203192926.db2.gz JHRMOCDHOIEQLG-UHFFFAOYSA-N 1 2 347.396 2.741 20 5 EFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000072979220 203252826 /nfs/dbraw/zinc/25/28/26/203252826.db2.gz VYWQAKFQVCVVRP-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000072979220 203252830 /nfs/dbraw/zinc/25/28/30/203252830.db2.gz VYWQAKFQVCVVRP-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000126450987 205057691 /nfs/dbraw/zinc/05/76/91/205057691.db2.gz YJBXOEXBZCJMLH-GKXYRXCGSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126496362 205059259 /nfs/dbraw/zinc/05/92/59/205059259.db2.gz OZUIATVTNQGROG-CMFPSAGXSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127678365 205113046 /nfs/dbraw/zinc/11/30/46/205113046.db2.gz NGIBCMNHDFHONU-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127678365 205113051 /nfs/dbraw/zinc/11/30/51/205113051.db2.gz NGIBCMNHDFHONU-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000128133772 205133296 /nfs/dbraw/zinc/13/32/96/205133296.db2.gz QNQRZPOYOSOPMQ-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000128133772 205133300 /nfs/dbraw/zinc/13/33/00/205133300.db2.gz QNQRZPOYOSOPMQ-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000128492885 205149183 /nfs/dbraw/zinc/14/91/83/205149183.db2.gz GBNMAKADWOOLAG-LLVKDONJSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000128492885 205149185 /nfs/dbraw/zinc/14/91/85/205149185.db2.gz GBNMAKADWOOLAG-LLVKDONJSA-N 1 2 347.371 2.964 20 5 EFBDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130946225 205266129 /nfs/dbraw/zinc/26/61/29/205266129.db2.gz SCHCAVFHOHJFEF-UHFFFAOYSA-N 1 2 328.372 2.817 20 5 EFBDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130946225 205266131 /nfs/dbraw/zinc/26/61/31/205266131.db2.gz SCHCAVFHOHJFEF-UHFFFAOYSA-N 1 2 328.372 2.817 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132581178 205333437 /nfs/dbraw/zinc/33/34/37/205333437.db2.gz WXYUHPUXUOXDJC-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132581178 205333441 /nfs/dbraw/zinc/33/34/41/205333441.db2.gz WXYUHPUXUOXDJC-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000132920846 205347653 /nfs/dbraw/zinc/34/76/53/205347653.db2.gz KUGILOUTCFQBLI-UHFFFAOYSA-N 1 2 346.362 2.905 20 5 EFBDLO C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134035186 205389196 /nfs/dbraw/zinc/38/91/96/205389196.db2.gz ROVRMGKMTQXPPS-MNOVXSKESA-N 1 2 332.389 2.588 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000421547803 246012479 /nfs/dbraw/zinc/01/24/79/246012479.db2.gz ZAWPVNRPWLJWQD-OAHLLOKOSA-N 1 2 328.372 2.826 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000421754087 246100046 /nfs/dbraw/zinc/10/00/46/246100046.db2.gz AJGACQPQLDKCBM-UHFFFAOYSA-N 1 2 328.372 2.885 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000421762770 246104128 /nfs/dbraw/zinc/10/41/28/246104128.db2.gz OIXUQQVJMBOFOE-CYBMUJFWSA-N 1 2 328.372 2.955 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(=O)C(C)C ZINC000157548835 206141932 /nfs/dbraw/zinc/14/19/32/206141932.db2.gz HIKBFOJBIBTLSF-UHFFFAOYSA-N 1 2 337.420 2.586 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000157548835 206141936 /nfs/dbraw/zinc/14/19/36/206141936.db2.gz HIKBFOJBIBTLSF-UHFFFAOYSA-N 1 2 337.420 2.586 20 5 EFBDLO CC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000157843162 206159399 /nfs/dbraw/zinc/15/93/99/206159399.db2.gz APFGSNUWKTUSFE-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159151823 206227725 /nfs/dbraw/zinc/22/77/25/206227725.db2.gz FZBJVZUBKMDLQT-CXAGYDPISA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159151823 206227727 /nfs/dbraw/zinc/22/77/27/206227727.db2.gz FZBJVZUBKMDLQT-CXAGYDPISA-N 1 2 330.388 2.637 20 5 EFBDLO COCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000159169655 206229774 /nfs/dbraw/zinc/22/97/74/206229774.db2.gz SRALFBSHQUKKCP-UHFFFAOYSA-N 1 2 331.372 2.656 20 5 EFBDLO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1F ZINC000159790236 206264157 /nfs/dbraw/zinc/26/41/57/206264157.db2.gz FTIPEWJIAWOWBC-UHFFFAOYSA-N 1 2 337.326 2.557 20 5 EFBDLO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1F ZINC000159790236 206264161 /nfs/dbraw/zinc/26/41/61/206264161.db2.gz FTIPEWJIAWOWBC-UHFFFAOYSA-N 1 2 337.326 2.557 20 5 EFBDLO CN(C)c1[nH+]cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000425325858 247044340 /nfs/dbraw/zinc/04/43/40/247044340.db2.gz MYTCUMNHBWQESK-UHFFFAOYSA-N 1 2 329.404 2.559 20 5 EFBDLO COC(=O)C1(C)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000425375942 247064465 /nfs/dbraw/zinc/06/44/65/247064465.db2.gz VFYCYUWUODGOBW-UHFFFAOYSA-N 1 2 347.396 2.713 20 5 EFBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462023 247094824 /nfs/dbraw/zinc/09/48/24/247094824.db2.gz TYLQYPZYTZCPKT-AYLIAGHASA-N 1 2 349.250 2.556 20 5 EFBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462023 247094826 /nfs/dbraw/zinc/09/48/26/247094826.db2.gz TYLQYPZYTZCPKT-AYLIAGHASA-N 1 2 349.250 2.556 20 5 EFBDLO Cc1ccnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265196196 247288260 /nfs/dbraw/zinc/28/82/60/247288260.db2.gz LUIFZCCSIFQJHW-INIZCTEOSA-N 1 2 342.399 2.784 20 5 EFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000265278395 247364685 /nfs/dbraw/zinc/36/46/85/247364685.db2.gz MUVCQIFVLGDWDK-GFCCVEGCSA-N 1 2 346.412 2.570 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534062 296240400 /nfs/dbraw/zinc/24/04/00/296240400.db2.gz WUERDPFJZNAGQF-QWHCGFSZSA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534062 296240401 /nfs/dbraw/zinc/24/04/01/296240401.db2.gz WUERDPFJZNAGQF-QWHCGFSZSA-N 1 2 326.418 2.555 20 5 EFBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161043783 206324558 /nfs/dbraw/zinc/32/45/58/206324558.db2.gz YZYSYJHVFWONFH-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161043783 206324560 /nfs/dbraw/zinc/32/45/60/206324560.db2.gz YZYSYJHVFWONFH-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO Cc1cnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266240446 248196552 /nfs/dbraw/zinc/19/65/52/248196552.db2.gz WSWNMBBKXVNTRA-MRXNPFEDSA-N 1 2 342.399 2.784 20 5 EFBDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000266400427 248282630 /nfs/dbraw/zinc/28/26/30/248282630.db2.gz PFRLFHOAZSLACT-UHFFFAOYSA-N 1 2 343.431 2.869 20 5 EFBDLO Cc1nccnc1N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000440494112 249933718 /nfs/dbraw/zinc/93/37/18/249933718.db2.gz ZNPSZWUEXVKTPB-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)c1ccccc1 ZINC000444625189 250319295 /nfs/dbraw/zinc/31/92/95/250319295.db2.gz NXJYULBCZHIIFJ-INIZCTEOSA-N 1 2 326.356 2.637 20 5 EFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)c1ccccc1 ZINC000444625189 250319299 /nfs/dbraw/zinc/31/92/99/250319299.db2.gz NXJYULBCZHIIFJ-INIZCTEOSA-N 1 2 326.356 2.637 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OCC4CC4)CC3)nc2c1 ZINC000444654085 250323715 /nfs/dbraw/zinc/32/37/15/250323715.db2.gz XQZMZSMAHVRADI-UHFFFAOYSA-N 1 2 330.388 2.862 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734564 250337003 /nfs/dbraw/zinc/33/70/03/250337003.db2.gz NNVISRCGDXHSEC-TVQRCGJNSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734564 250337006 /nfs/dbraw/zinc/33/70/06/250337006.db2.gz NNVISRCGDXHSEC-TVQRCGJNSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734548 250337132 /nfs/dbraw/zinc/33/71/32/250337132.db2.gz NNVISRCGDXHSEC-NOZJJQNGSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734548 250337136 /nfs/dbraw/zinc/33/71/36/250337136.db2.gz NNVISRCGDXHSEC-NOZJJQNGSA-N 1 2 336.285 2.869 20 5 EFBDLO O=C1CCCN1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413121682 284787748 /nfs/dbraw/zinc/78/77/48/284787748.db2.gz HCLWTAOQRFDTQM-UHFFFAOYSA-N 1 2 340.383 2.734 20 5 EFBDLO CN(Cc1ccoc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806123 250611557 /nfs/dbraw/zinc/61/15/57/250611557.db2.gz MBGQDGOUDMRRMH-UHFFFAOYSA-N 1 2 331.372 2.656 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1 ZINC000449520940 251050254 /nfs/dbraw/zinc/05/02/54/251050254.db2.gz GAZSFJIJAVPDNU-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1 ZINC000449520940 251050257 /nfs/dbraw/zinc/05/02/57/251050257.db2.gz GAZSFJIJAVPDNU-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1 ZINC000449523014 251051091 /nfs/dbraw/zinc/05/10/91/251051091.db2.gz KMTRQCHXDYFPCP-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1 ZINC000449523014 251051097 /nfs/dbraw/zinc/05/10/97/251051097.db2.gz KMTRQCHXDYFPCP-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450326525 251347333 /nfs/dbraw/zinc/34/73/33/251347333.db2.gz YSCBQVQLGGJLMZ-OLZOCXBDSA-N 1 2 328.372 2.899 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176557698 207238491 /nfs/dbraw/zinc/23/84/91/207238491.db2.gz DCBTZKYVVZBXQP-GJZGRUSLSA-N 1 2 334.420 2.609 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176557685 207238766 /nfs/dbraw/zinc/23/87/66/207238766.db2.gz DCBTZKYVVZBXQP-LSDHHAIUSA-N 1 2 334.420 2.609 20 5 EFBDLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000177193297 207304553 /nfs/dbraw/zinc/30/45/53/207304553.db2.gz QNBWCWLFKXSIPV-GJZGRUSLSA-N 1 2 335.429 2.893 20 5 EFBDLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000177193297 207304558 /nfs/dbraw/zinc/30/45/58/207304558.db2.gz QNBWCWLFKXSIPV-GJZGRUSLSA-N 1 2 335.429 2.893 20 5 EFBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)o1 ZINC000177565702 207357313 /nfs/dbraw/zinc/35/73/13/207357313.db2.gz ARYGRNRQIAPZIA-HNNXBMFYSA-N 1 2 348.355 2.840 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268694337 252146520 /nfs/dbraw/zinc/14/65/20/252146520.db2.gz PTDJHRHHIJSQQC-OALUTQOASA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268694337 252146522 /nfs/dbraw/zinc/14/65/22/252146522.db2.gz PTDJHRHHIJSQQC-OALUTQOASA-N 1 2 342.395 2.919 20 5 EFBDLO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000454380967 252242781 /nfs/dbraw/zinc/24/27/81/252242781.db2.gz YODSKXBZDYAZBD-UHIISALHSA-N 1 2 329.360 2.858 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000342093629 296511676 /nfs/dbraw/zinc/51/16/76/296511676.db2.gz JHIOSWBTQRGTAR-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000344437503 142016748 /nfs/dbraw/zinc/01/67/48/142016748.db2.gz MUTBULNVOISKML-NHYWBVRUSA-N 1 2 343.387 2.840 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cn21 ZINC000344982327 142107154 /nfs/dbraw/zinc/10/71/54/142107154.db2.gz XWOQMFYILHFVHV-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO CCc1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000346195199 142165346 /nfs/dbraw/zinc/16/53/46/142165346.db2.gz HJEWVLJAAVAWHJ-NSHDSACASA-N 1 2 333.417 2.695 20 5 EFBDLO CCc1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000346195199 142165347 /nfs/dbraw/zinc/16/53/47/142165347.db2.gz HJEWVLJAAVAWHJ-NSHDSACASA-N 1 2 333.417 2.695 20 5 EFBDLO Cc1[nH+]cccc1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000346402922 142200326 /nfs/dbraw/zinc/20/03/26/142200326.db2.gz PBZGEINLGPVSDW-UHFFFAOYSA-N 1 2 339.355 2.927 20 5 EFBDLO CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000346469398 142208624 /nfs/dbraw/zinc/20/86/24/142208624.db2.gz BKKLDDIXKAEHHH-PXAZEXFGSA-N 1 2 345.399 2.954 20 5 EFBDLO CN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000342393907 145115740 /nfs/dbraw/zinc/11/57/40/145115740.db2.gz FSMUXGQFGCRKKS-SFHVURJKSA-N 1 2 341.411 2.962 20 5 EFBDLO CN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000342393907 145115742 /nfs/dbraw/zinc/11/57/42/145115742.db2.gz FSMUXGQFGCRKKS-SFHVURJKSA-N 1 2 341.411 2.962 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2[nH+]1 ZINC000344134152 145376182 /nfs/dbraw/zinc/37/61/82/145376182.db2.gz PDNYBBNDZCDEMS-UHFFFAOYSA-N 1 2 343.318 2.929 20 5 EFBDLO Cc1cccnc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000348810930 146006598 /nfs/dbraw/zinc/00/65/98/146006598.db2.gz AILDKCNUVUENDL-UHFFFAOYSA-N 1 2 337.339 2.761 20 5 EFBDLO COc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000350690087 146081004 /nfs/dbraw/zinc/08/10/04/146081004.db2.gz HLKPLHJIYLIZDJ-CQSZACIVSA-N 1 2 345.359 2.610 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000351613051 146159103 /nfs/dbraw/zinc/15/91/03/146159103.db2.gz ZUGMDWPUXQEOTE-LLVKDONJSA-N 1 2 347.350 2.938 20 5 EFBDLO Cc1cc[nH+]c(N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000351871900 146222760 /nfs/dbraw/zinc/22/27/60/146222760.db2.gz AZJKZAWLEPKOIR-UHFFFAOYSA-N 1 2 348.353 2.899 20 5 EFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000351929566 146238867 /nfs/dbraw/zinc/23/88/67/146238867.db2.gz AOQYQOJIROEXAF-UHFFFAOYSA-N 1 2 329.360 2.840 20 5 EFBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000355943341 147105356 /nfs/dbraw/zinc/10/53/56/147105356.db2.gz DBECJCOGRHVYDX-UHFFFAOYSA-N 1 2 344.758 2.952 20 5 EFBDLO Cc1ncsc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000355943373 147105365 /nfs/dbraw/zinc/10/53/65/147105365.db2.gz DRVLCUUBMRXXFF-UHFFFAOYSA-N 1 2 329.341 2.798 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc(CO)c[nH+]2)c1 ZINC000356303560 147206315 /nfs/dbraw/zinc/20/63/15/147206315.db2.gz ONEBCUVBECUZRL-UHFFFAOYSA-N 1 2 325.271 2.696 20 5 EFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000356469483 147252898 /nfs/dbraw/zinc/25/28/98/147252898.db2.gz UDBXLMGXBXMWGS-UHFFFAOYSA-N 1 2 339.311 2.768 20 5 EFBDLO COc1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1O ZINC000356918035 147371995 /nfs/dbraw/zinc/37/19/95/147371995.db2.gz MWCLSRJVOPUJJI-UHFFFAOYSA-N 1 2 342.355 2.555 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2(F)F)C1 ZINC000359522805 148109189 /nfs/dbraw/zinc/10/91/89/148109189.db2.gz FFZOHUCXNYNOJQ-UHFFFAOYSA-N 1 2 348.309 2.652 20 5 EFBDLO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000359549064 148118739 /nfs/dbraw/zinc/11/87/39/148118739.db2.gz VRTQUEYSPJXICX-AAEUAGOBSA-N 1 2 347.371 2.753 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000359658934 148154059 /nfs/dbraw/zinc/15/40/59/148154059.db2.gz FKUGJMUQULRJRW-LSDHHAIUSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000359658934 148154061 /nfs/dbraw/zinc/15/40/61/148154061.db2.gz FKUGJMUQULRJRW-LSDHHAIUSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660012 148154195 /nfs/dbraw/zinc/15/41/95/148154195.db2.gz IYQNBGDINXIZHM-GJZGRUSLSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660012 148154198 /nfs/dbraw/zinc/15/41/98/148154198.db2.gz IYQNBGDINXIZHM-GJZGRUSLSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664357 148155827 /nfs/dbraw/zinc/15/58/27/148155827.db2.gz XNXSUOXYEPCOPM-ZBFHGGJFSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664357 148155830 /nfs/dbraw/zinc/15/58/30/148155830.db2.gz XNXSUOXYEPCOPM-ZBFHGGJFSA-N 1 2 347.394 2.661 20 5 EFBDLO COc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000359716934 148170325 /nfs/dbraw/zinc/17/03/25/148170325.db2.gz NOAAOPDSMQPEOI-UHFFFAOYSA-N 1 2 328.372 2.615 20 5 EFBDLO Cc1cccc(CCNc2c(Br)cncc2[N+](=O)[O-])[nH+]1 ZINC000359843940 148204691 /nfs/dbraw/zinc/20/46/91/148204691.db2.gz ISTWPLUCYDCYJE-UHFFFAOYSA-N 1 2 337.177 2.532 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360011335 148249441 /nfs/dbraw/zinc/24/94/41/148249441.db2.gz VBNMCXYQGCFIOL-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO Cc1cc(N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360083131 148266739 /nfs/dbraw/zinc/26/67/39/148266739.db2.gz ONASQFMVARBVCJ-CHWSQXEVSA-N 1 2 325.384 2.588 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944514 149035823 /nfs/dbraw/zinc/03/58/23/149035823.db2.gz HKRSANRVYJGYGO-PEBVRCNWSA-N 1 2 347.371 2.504 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944514 149035825 /nfs/dbraw/zinc/03/58/25/149035825.db2.gz HKRSANRVYJGYGO-PEBVRCNWSA-N 1 2 347.371 2.504 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)o2)cc1 ZINC000364719623 149226919 /nfs/dbraw/zinc/22/69/19/149226919.db2.gz AKORSVLHOSLXEF-CYBMUJFWSA-N 1 2 340.343 2.705 20 5 EFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000364906946 149273485 /nfs/dbraw/zinc/27/34/85/149273485.db2.gz RDSUWHFVVBORBN-LLVKDONJSA-N 1 2 345.315 2.512 20 5 EFBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000364945326 149281983 /nfs/dbraw/zinc/28/19/83/149281983.db2.gz CKGZOHSOTCMVME-UXILZDJPSA-N 1 2 330.384 2.678 20 5 EFBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000364945326 149281984 /nfs/dbraw/zinc/28/19/84/149281984.db2.gz CKGZOHSOTCMVME-UXILZDJPSA-N 1 2 330.384 2.678 20 5 EFBDLO CCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000365111504 149318221 /nfs/dbraw/zinc/31/82/21/149318221.db2.gz CVQCWYZIDKFVHQ-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2N)[nH+]1 ZINC000368204954 150065514 /nfs/dbraw/zinc/06/55/14/150065514.db2.gz XIIPOYKJHSXMPK-UHFFFAOYSA-N 1 2 338.327 2.523 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292807 150321696 /nfs/dbraw/zinc/32/16/96/150321696.db2.gz HPOMRLLOWKHFPD-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292807 150321700 /nfs/dbraw/zinc/32/17/00/150321700.db2.gz HPOMRLLOWKHFPD-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373697498 151211491 /nfs/dbraw/zinc/21/14/91/151211491.db2.gz REGMPKKCSJWXQL-UHFFFAOYSA-N 1 2 339.311 2.646 20 5 EFBDLO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cn2c([nH+]1)CCCC2 ZINC000373775478 151224314 /nfs/dbraw/zinc/22/43/14/151224314.db2.gz NJVYDSSXMHPRGX-UHFFFAOYSA-N 1 2 330.388 2.638 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000373800685 151227087 /nfs/dbraw/zinc/22/70/87/151227087.db2.gz NBWFQNXICZVBED-HNNXBMFYSA-N 1 2 338.404 2.619 20 5 EFBDLO CCOc1cc(C[N@H+]2CCO[C@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000373800685 151227089 /nfs/dbraw/zinc/22/70/89/151227089.db2.gz NBWFQNXICZVBED-HNNXBMFYSA-N 1 2 338.404 2.619 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000373979688 286249549 /nfs/dbraw/zinc/24/95/49/286249549.db2.gz YOUSVAZCJZMWKT-OAHLLOKOSA-N 1 2 348.428 2.627 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000373979688 286249551 /nfs/dbraw/zinc/24/95/51/286249551.db2.gz YOUSVAZCJZMWKT-OAHLLOKOSA-N 1 2 348.428 2.627 20 5 EFBDLO CCc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374339134 151326655 /nfs/dbraw/zinc/32/66/55/151326655.db2.gz GASXEOSVJJGUAX-AWEZNQCLSA-N 1 2 328.372 2.520 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374354495 151329912 /nfs/dbraw/zinc/32/99/12/151329912.db2.gz UNIOEIGMGHTBRT-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000375930877 151624372 /nfs/dbraw/zinc/62/43/72/151624372.db2.gz HEQUBDIXFRKREG-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO CC(=O)c1cc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000376391506 151705811 /nfs/dbraw/zinc/70/58/11/151705811.db2.gz LIMOWDXPAMQJIW-UHFFFAOYSA-N 1 2 328.372 2.967 20 5 EFBDLO CSc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456363550 286726031 /nfs/dbraw/zinc/72/60/31/286726031.db2.gz FKEDMAHEUOTSNE-MWLCHTKSSA-N 1 2 332.385 2.949 20 5 EFBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189544319 265193713 /nfs/dbraw/zinc/19/37/13/265193713.db2.gz GLPYIFXIEBXQDW-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189544319 265193717 /nfs/dbraw/zinc/19/37/17/265193717.db2.gz GLPYIFXIEBXQDW-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000272392215 266252209 /nfs/dbraw/zinc/25/22/09/266252209.db2.gz XXPYINQYOJMVBV-RDTXWAMCSA-N 1 2 344.415 2.945 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000272392215 266252211 /nfs/dbraw/zinc/25/22/11/266252211.db2.gz XXPYINQYOJMVBV-RDTXWAMCSA-N 1 2 344.415 2.945 20 5 EFBDLO Cc1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000272481659 266279217 /nfs/dbraw/zinc/27/92/17/266279217.db2.gz CDEOTHIMPFZBDP-OAHLLOKOSA-N 1 2 327.344 2.504 20 5 EFBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272497483 266285089 /nfs/dbraw/zinc/28/50/89/266285089.db2.gz GFAVFAMSGZROCE-HOTGVXAUSA-N 1 2 332.404 2.678 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272536171 266297589 /nfs/dbraw/zinc/29/75/89/266297589.db2.gz OAEAZGLFJYWYLC-HOTGVXAUSA-N 1 2 330.388 2.576 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1[nH+]ccn1C ZINC000272596632 266320782 /nfs/dbraw/zinc/32/07/82/266320782.db2.gz QHXNVALCHWFAIH-NSHDSACASA-N 1 2 342.359 2.571 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272600285 266322266 /nfs/dbraw/zinc/32/22/66/266322266.db2.gz HDKGHEKJFZSUKU-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272600285 266322271 /nfs/dbraw/zinc/32/22/71/266322271.db2.gz HDKGHEKJFZSUKU-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccco1 ZINC000272618831 266328371 /nfs/dbraw/zinc/32/83/71/266328371.db2.gz VWQHEVLWBPLYQZ-OAHLLOKOSA-N 1 2 348.355 2.922 20 5 EFBDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])cc1F ZINC000274294455 266630948 /nfs/dbraw/zinc/63/09/48/266630948.db2.gz HNJMCSKTUTZWII-SSDOTTSWSA-N 1 2 326.353 2.753 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275767731 266871078 /nfs/dbraw/zinc/87/10/78/266871078.db2.gz PNBDLSRTZXUZPR-NSHDSACASA-N 1 2 345.359 2.738 20 5 EFBDLO COc1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)c([N+](=O)[O-])cc1O ZINC000277695301 267237387 /nfs/dbraw/zinc/23/73/87/267237387.db2.gz KUXAGGBOPYINKN-UHFFFAOYSA-N 1 2 343.383 2.873 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000278047010 267328482 /nfs/dbraw/zinc/32/84/82/267328482.db2.gz LOWGBQBMJQBFEJ-VHSXEESVSA-N 1 2 336.373 2.632 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000278047010 267328484 /nfs/dbraw/zinc/32/84/84/267328484.db2.gz LOWGBQBMJQBFEJ-VHSXEESVSA-N 1 2 336.373 2.632 20 5 EFBDLO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ncnn1C ZINC000276621901 273138736 /nfs/dbraw/zinc/13/87/36/273138736.db2.gz FFLKZNUYFRAUTJ-NSHDSACASA-N 1 2 327.344 2.834 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C2CC2)O1 ZINC000279334041 273203918 /nfs/dbraw/zinc/20/39/18/273203918.db2.gz PCEUXZALIUHWGG-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C2CC2)O1 ZINC000279334041 273203919 /nfs/dbraw/zinc/20/39/19/273203919.db2.gz PCEUXZALIUHWGG-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C2CC2)O1 ZINC000279334034 273203987 /nfs/dbraw/zinc/20/39/87/273203987.db2.gz PCEUXZALIUHWGG-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C2CC2)O1 ZINC000279334034 273203989 /nfs/dbraw/zinc/20/39/89/273203989.db2.gz PCEUXZALIUHWGG-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280192490 273300798 /nfs/dbraw/zinc/30/07/98/273300798.db2.gz HLSYQQQBIUKCCC-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280192490 273300799 /nfs/dbraw/zinc/30/07/99/273300799.db2.gz HLSYQQQBIUKCCC-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571446 273342349 /nfs/dbraw/zinc/34/23/49/273342349.db2.gz LUGWKZYRSQGAEL-DIFFPNOSSA-N 1 2 336.388 2.611 20 5 EFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571446 273342351 /nfs/dbraw/zinc/34/23/51/273342351.db2.gz LUGWKZYRSQGAEL-DIFFPNOSSA-N 1 2 336.388 2.611 20 5 EFBDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000281041492 273394540 /nfs/dbraw/zinc/39/45/40/273394540.db2.gz QAINJNCKMZDLKW-CYBMUJFWSA-N 1 2 342.399 2.599 20 5 EFBDLO CCn1cnc2c(c1=O)CC[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000281041492 273394542 /nfs/dbraw/zinc/39/45/42/273394542.db2.gz QAINJNCKMZDLKW-CYBMUJFWSA-N 1 2 342.399 2.599 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285593090 274033253 /nfs/dbraw/zinc/03/32/53/274033253.db2.gz WCPVPOWWPSYLCG-CYBMUJFWSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285593090 274033255 /nfs/dbraw/zinc/03/32/55/274033255.db2.gz WCPVPOWWPSYLCG-CYBMUJFWSA-N 1 2 339.367 2.787 20 5 EFBDLO CCOCCO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285686446 274052959 /nfs/dbraw/zinc/05/29/59/274052959.db2.gz QUZLOSQHMRJUPQ-LBPRGKRZSA-N 1 2 330.331 2.500 20 5 EFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285686446 274052960 /nfs/dbraw/zinc/05/29/60/274052960.db2.gz QUZLOSQHMRJUPQ-LBPRGKRZSA-N 1 2 330.331 2.500 20 5 EFBDLO Cc1noc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285914961 274099461 /nfs/dbraw/zinc/09/94/61/274099461.db2.gz HRLMJYYASLZQCR-SNVBAGLBSA-N 1 2 338.314 2.944 20 5 EFBDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285914961 274099463 /nfs/dbraw/zinc/09/94/63/274099463.db2.gz HRLMJYYASLZQCR-SNVBAGLBSA-N 1 2 338.314 2.944 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287192333 274364273 /nfs/dbraw/zinc/36/42/73/274364273.db2.gz FJNMYNXDFUQPPP-UHFFFAOYSA-N 1 2 325.372 2.652 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287192333 274364274 /nfs/dbraw/zinc/36/42/74/274364274.db2.gz FJNMYNXDFUQPPP-UHFFFAOYSA-N 1 2 325.372 2.652 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000288156735 274537910 /nfs/dbraw/zinc/53/79/10/274537910.db2.gz OXNOOFGUVLQJSN-UHFFFAOYSA-N 1 2 330.392 2.727 20 5 EFBDLO COc1cc[nH+]cc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000288800134 274662993 /nfs/dbraw/zinc/66/29/93/274662993.db2.gz TUXWBKCSCPQLFN-UHFFFAOYSA-N 1 2 331.328 2.544 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289526213 274776705 /nfs/dbraw/zinc/77/67/05/274776705.db2.gz COQJKGMECCUYRL-UHFFFAOYSA-N 1 2 337.767 2.999 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000119240090 275039448 /nfs/dbraw/zinc/03/94/48/275039448.db2.gz JJVJHLLJIJGGIB-CYBMUJFWSA-N 1 2 339.823 2.545 20 5 EFBDLO CCN1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1=O ZINC000273417760 276385176 /nfs/dbraw/zinc/38/51/76/276385176.db2.gz JJDZWILTYJNMMS-UHFFFAOYSA-N 1 2 336.391 2.610 20 5 EFBDLO CCN1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1=O ZINC000273417760 276385179 /nfs/dbraw/zinc/38/51/79/276385179.db2.gz JJDZWILTYJNMMS-UHFFFAOYSA-N 1 2 336.391 2.610 20 5 EFBDLO CCOc1cccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000366504346 276498706 /nfs/dbraw/zinc/49/87/06/276498706.db2.gz KGZKUSIAUVOYCK-INIZCTEOSA-N 1 2 346.387 2.667 20 5 EFBDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000083247607 277358138 /nfs/dbraw/zinc/35/81/38/277358138.db2.gz LUZSAODSTCKIDL-CQSZACIVSA-N 1 2 335.404 2.670 20 5 EFBDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000083247607 277358141 /nfs/dbraw/zinc/35/81/41/277358141.db2.gz LUZSAODSTCKIDL-CQSZACIVSA-N 1 2 335.404 2.670 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3sccn3c1[N+](=O)[O-])C2 ZINC000106369227 278076290 /nfs/dbraw/zinc/07/62/90/278076290.db2.gz NIYRFZJAOFGYJE-UHFFFAOYSA-N 1 2 346.416 2.724 20 5 EFBDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CO ZINC000425420865 278342894 /nfs/dbraw/zinc/34/28/94/278342894.db2.gz MWOSSDHHRLPWBW-HZMBPMFUSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CO ZINC000425420865 278342895 /nfs/dbraw/zinc/34/28/95/278342895.db2.gz MWOSSDHHRLPWBW-HZMBPMFUSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361530657 288208169 /nfs/dbraw/zinc/20/81/69/288208169.db2.gz ZZDLLCCFTHYGJB-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361530657 288208170 /nfs/dbraw/zinc/20/81/70/288208170.db2.gz ZZDLLCCFTHYGJB-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000009318206 280375166 /nfs/dbraw/zinc/37/51/66/280375166.db2.gz QSTACDIKECELAD-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000126187380 293031029 /nfs/dbraw/zinc/03/10/29/293031029.db2.gz UNEYHKAEYYTJLT-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000126187380 293031031 /nfs/dbraw/zinc/03/10/31/293031031.db2.gz UNEYHKAEYYTJLT-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO O=C(Nc1cccc(O)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128243231 293096163 /nfs/dbraw/zinc/09/61/63/293096163.db2.gz SSWWTEQJOOEOFT-UHFFFAOYSA-N 1 2 342.286 2.878 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132849165 293239400 /nfs/dbraw/zinc/23/94/00/293239400.db2.gz UYMJQZMUYJIQTP-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132849165 293239403 /nfs/dbraw/zinc/23/94/03/293239403.db2.gz UYMJQZMUYJIQTP-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000289798662 293913005 /nfs/dbraw/zinc/91/30/05/293913005.db2.gz NDNGVRXOVXQTHJ-UHFFFAOYSA-N 1 2 331.376 2.908 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000290460465 294093137 /nfs/dbraw/zinc/09/31/37/294093137.db2.gz FFAWFQAQWMADSB-JTQLQIEISA-N 1 2 336.323 2.608 20 5 EFBDLO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000290923113 294221324 /nfs/dbraw/zinc/22/13/24/294221324.db2.gz HXTGJHVSHYARDL-UHFFFAOYSA-N 1 2 346.362 2.886 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)on1 ZINC000290938855 294225686 /nfs/dbraw/zinc/22/56/86/294225686.db2.gz KGOGVWHFOBUJIH-UHFFFAOYSA-N 1 2 334.351 2.661 20 5 EFBDLO CCCc1nc(C)c(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])o1 ZINC000291812068 294491417 /nfs/dbraw/zinc/49/14/17/294491417.db2.gz YFWTUIDLXRYFFC-UHFFFAOYSA-N 1 2 335.360 2.848 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000293386472 294957843 /nfs/dbraw/zinc/95/78/43/294957843.db2.gz OPYKDPRPFHDWQW-UHFFFAOYSA-N 1 2 342.355 2.503 20 5 EFBDLO COCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293828062 295058284 /nfs/dbraw/zinc/05/82/84/295058284.db2.gz PONQQQLBVGKSKT-UHFFFAOYSA-N 1 2 348.321 2.587 20 5 EFBDLO Cc1cc(N2CCC[C@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000293980679 295092210 /nfs/dbraw/zinc/09/22/10/295092210.db2.gz IJPBBYKKBQHALJ-HNNXBMFYSA-N 1 2 328.372 2.711 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000294380780 295157534 /nfs/dbraw/zinc/15/75/34/295157534.db2.gz CWCQLPOLJHGIFO-UHFFFAOYSA-N 1 2 347.346 2.732 20 5 EFBDLO CC(C)(CCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)[N+](=O)[O-] ZINC000294575089 295188280 /nfs/dbraw/zinc/18/82/80/295188280.db2.gz SQWIZLYBNPBURK-UHFFFAOYSA-N 1 2 348.447 2.914 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000294597317 295191834 /nfs/dbraw/zinc/19/18/34/295191834.db2.gz XFQUXHIOYUUPLL-HNNXBMFYSA-N 1 2 348.378 2.600 20 5 EFBDLO CCc1nnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH]1 ZINC000294966128 295252073 /nfs/dbraw/zinc/25/20/73/295252073.db2.gz NXXFJPCNXOSUKK-UHFFFAOYSA-N 1 2 339.359 2.653 20 5 EFBDLO CCn1cc[nH+]c1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000294983071 295253922 /nfs/dbraw/zinc/25/39/22/295253922.db2.gz MFJRXLNSHQTVHA-UHFFFAOYSA-N 1 2 338.751 2.863 20 5 EFBDLO Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000295429124 295318911 /nfs/dbraw/zinc/31/89/11/295318911.db2.gz FOSWEJGRMLQTOB-UHFFFAOYSA-N 1 2 328.376 2.691 20 5 EFBDLO Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295819107 295380712 /nfs/dbraw/zinc/38/07/12/295380712.db2.gz HNUDJDCGOTXYBK-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295868002 295388640 /nfs/dbraw/zinc/38/86/40/295388640.db2.gz LFSXTGPFCNWOTE-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000295867960 295388781 /nfs/dbraw/zinc/38/87/81/295388781.db2.gz LFCUKZFXYJXBLF-ZDUSSCGKSA-N 1 2 332.335 2.691 20 5 EFBDLO Cc1ccc(F)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295937721 295399728 /nfs/dbraw/zinc/39/97/28/295399728.db2.gz GKZXFPVLNSLEOT-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000355782906 303018970 /nfs/dbraw/zinc/01/89/70/303018970.db2.gz GYYOTVLZVWDBAK-OAHLLOKOSA-N 1 2 330.388 2.510 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000355782906 303018971 /nfs/dbraw/zinc/01/89/71/303018971.db2.gz GYYOTVLZVWDBAK-OAHLLOKOSA-N 1 2 330.388 2.510 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297216489 310867399 /nfs/dbraw/zinc/86/73/99/310867399.db2.gz VUKZPVFZSLNXLN-NSHDSACASA-N 1 2 330.344 2.559 20 5 EFBDLO Cc1nc(NCCCc2[nH+]c3ccccc3n2C)ncc1[N+](=O)[O-] ZINC000297662405 310919175 /nfs/dbraw/zinc/91/91/75/310919175.db2.gz ZHKKIFIJRKTKIS-UHFFFAOYSA-N 1 2 326.360 2.625 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c2nonc21 ZINC000298445210 310990749 /nfs/dbraw/zinc/99/07/49/310990749.db2.gz ROWCWQRWXBYJOI-UHFFFAOYSA-N 1 2 340.343 2.738 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000298669353 311013020 /nfs/dbraw/zinc/01/30/20/311013020.db2.gz RSCVYTZGTHFMGA-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO O=C(c1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298774845 311022448 /nfs/dbraw/zinc/02/24/48/311022448.db2.gz KKQHQBUFNYFPNL-UHFFFAOYSA-N 1 2 343.387 2.530 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299513667 311092298 /nfs/dbraw/zinc/09/22/98/311092298.db2.gz UOVAIUKVWPUMBB-UHFFFAOYSA-N 1 2 342.355 2.851 20 5 EFBDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299565019 311097280 /nfs/dbraw/zinc/09/72/80/311097280.db2.gz GIQAQDKOGWMIPY-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO CC(C)[N@H+](Cc1nnc2n1CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000299585689 311099645 /nfs/dbraw/zinc/09/96/45/311099645.db2.gz JMFIAGFXIWIAIX-UHFFFAOYSA-N 1 2 329.404 2.933 20 5 EFBDLO CC(C)[N@@H+](Cc1nnc2n1CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000299585689 311099646 /nfs/dbraw/zinc/09/96/46/311099646.db2.gz JMFIAGFXIWIAIX-UHFFFAOYSA-N 1 2 329.404 2.933 20 5 EFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299679792 311110296 /nfs/dbraw/zinc/11/02/96/311110296.db2.gz RIFIBRKHIUCVPF-UHFFFAOYSA-N 1 2 339.355 2.819 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000301147677 311121370 /nfs/dbraw/zinc/12/13/70/311121370.db2.gz BMXMRYDLFOFCSR-MRXNPFEDSA-N 1 2 337.445 2.523 20 5 EFBDLO Cc1nn(C)c(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000301245137 311126635 /nfs/dbraw/zinc/12/66/35/311126635.db2.gz ALBBIWZPFFVLCE-LBPRGKRZSA-N 1 2 339.346 2.630 20 5 EFBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)o1 ZINC000301619788 311147876 /nfs/dbraw/zinc/14/78/76/311147876.db2.gz DNPNEBFCFCDBOD-OAHLLOKOSA-N 1 2 346.387 2.685 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301634275 311149121 /nfs/dbraw/zinc/14/91/21/311149121.db2.gz KHOPNZAVDNJWTM-MOPGFXCFSA-N 1 2 339.395 2.684 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301634275 311149122 /nfs/dbraw/zinc/14/91/22/311149122.db2.gz KHOPNZAVDNJWTM-MOPGFXCFSA-N 1 2 339.395 2.684 20 5 EFBDLO Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301790761 311158383 /nfs/dbraw/zinc/15/83/83/311158383.db2.gz RDSMMYKBOYHTJE-DZGCQCFKSA-N 1 2 342.399 2.957 20 5 EFBDLO Cc1cc(N(C)C[C@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839641 311161679 /nfs/dbraw/zinc/16/16/79/311161679.db2.gz XQFMWNNFMZJOCT-HNNXBMFYSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301848016 311162374 /nfs/dbraw/zinc/16/23/74/311162374.db2.gz NSZXWPXVPNJXEL-GOEBONIOSA-N 1 2 342.399 2.957 20 5 EFBDLO Cc1cc(N(C)C[C@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301848015 311162424 /nfs/dbraw/zinc/16/24/24/311162424.db2.gz NSZXWPXVPNJXEL-GDBMZVCRSA-N 1 2 342.399 2.957 20 5 EFBDLO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301994911 311171067 /nfs/dbraw/zinc/17/10/67/311171067.db2.gz PEHRIQWRWHFEGI-AWEZNQCLSA-N 1 2 333.413 2.969 20 5 EFBDLO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301994911 311171069 /nfs/dbraw/zinc/17/10/69/311171069.db2.gz PEHRIQWRWHFEGI-AWEZNQCLSA-N 1 2 333.413 2.969 20 5 EFBDLO CCOC1CC(CNc2ccc(C)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000302834283 311203736 /nfs/dbraw/zinc/20/37/36/311203736.db2.gz SZRKUCUSYCTZAF-UHFFFAOYSA-N 1 2 349.431 2.585 20 5 EFBDLO Cc1ccc(NCCCNc2nc[nH+]c(N)c2Cl)c([N+](=O)[O-])c1 ZINC000302892330 311207360 /nfs/dbraw/zinc/20/73/60/311207360.db2.gz OAOJOMHKLDKFLS-UHFFFAOYSA-N 1 2 336.783 2.843 20 5 EFBDLO Cc1ccc(NCCCNc2[nH+]cnc(N)c2Cl)c([N+](=O)[O-])c1 ZINC000302892330 311207361 /nfs/dbraw/zinc/20/73/61/311207361.db2.gz OAOJOMHKLDKFLS-UHFFFAOYSA-N 1 2 336.783 2.843 20 5 EFBDLO C[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332258429 311478817 /nfs/dbraw/zinc/47/88/17/311478817.db2.gz BNIRRRBOQQNXMS-LLVKDONJSA-N 1 2 346.362 2.967 20 5 EFBDLO COc1cc(Cc2noc(Cc3ccc[nH+]c3C)n2)ccc1[N+](=O)[O-] ZINC000350170114 311789428 /nfs/dbraw/zinc/78/94/28/311789428.db2.gz QAUGSLKFPXGKEH-UHFFFAOYSA-N 1 2 340.339 2.871 20 5 EFBDLO C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC000351446862 311885159 /nfs/dbraw/zinc/88/51/59/311885159.db2.gz TYFOOZNDRUPZRC-GFCCVEGCSA-N 1 2 342.359 2.633 20 5 EFBDLO Cc1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420816491 312396029 /nfs/dbraw/zinc/39/60/29/312396029.db2.gz JJKTYUAAAKGUMR-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO CCC[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450584488 312714595 /nfs/dbraw/zinc/71/45/95/312714595.db2.gz OJYTWZOFLZGFKF-OAHLLOKOSA-N 1 2 337.420 2.654 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1[nH+]cccc1C ZINC000450722570 312733274 /nfs/dbraw/zinc/73/32/74/312733274.db2.gz CUGZRUZLDYALQZ-UHFFFAOYSA-N 1 2 328.372 2.703 20 5 EFBDLO COc1cc(C)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453570491 312909847 /nfs/dbraw/zinc/90/98/47/312909847.db2.gz ABDFAWAEAKWANZ-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000472348012 313187859 /nfs/dbraw/zinc/18/78/59/313187859.db2.gz JBNSCIPJFQRLGJ-CVEARBPZSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000472348012 313187862 /nfs/dbraw/zinc/18/78/62/313187862.db2.gz JBNSCIPJFQRLGJ-CVEARBPZSA-N 1 2 349.431 2.825 20 5 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Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000562300712 318632360 /nfs/dbraw/zinc/63/23/60/318632360.db2.gz FKBSZQAHKYSVCS-UKRRQHHQSA-N 1 2 342.399 2.897 20 5 EFBDLO CCc1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000563694015 318810085 /nfs/dbraw/zinc/81/00/85/318810085.db2.gz VSMWNFOIGDTMQF-INIZCTEOSA-N 1 2 341.371 2.758 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000567810905 319213421 /nfs/dbraw/zinc/21/34/21/319213421.db2.gz LUPBWLUXCVRTOK-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000567810905 319213423 /nfs/dbraw/zinc/21/34/23/319213423.db2.gz LUPBWLUXCVRTOK-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916280 319330332 /nfs/dbraw/zinc/33/03/32/319330332.db2.gz KMDZKKFAWFCFPC-IUODEOHRSA-N 1 2 346.387 2.911 20 5 EFBDLO 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000129475808 472547000 /nfs/dbraw/zinc/54/70/00/472547000.db2.gz WIPKGSULIYITEO-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000129475808 472547007 /nfs/dbraw/zinc/54/70/07/472547007.db2.gz WIPKGSULIYITEO-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119347896 472548516 /nfs/dbraw/zinc/54/85/16/472548516.db2.gz LIAKUMGKEGKFLO-JTQLQIEISA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119347896 472548520 /nfs/dbraw/zinc/54/85/20/472548520.db2.gz LIAKUMGKEGKFLO-JTQLQIEISA-N 1 2 344.820 2.729 20 5 EFBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119438398 472556072 /nfs/dbraw/zinc/55/60/72/472556072.db2.gz IKUYRECUBHEMGI-UHFFFAOYSA-N 1 2 348.362 2.979 20 5 EFBDLO O=C(C[N@@H+]1CCCSCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089984424 472571027 /nfs/dbraw/zinc/57/10/27/472571027.db2.gz NFEOQHNAFILBOK-UHFFFAOYSA-N 1 2 329.809 2.626 20 5 EFBDLO O=C(C[N@H+]1CCCSCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000089984424 472571029 /nfs/dbraw/zinc/57/10/29/472571029.db2.gz NFEOQHNAFILBOK-UHFFFAOYSA-N 1 2 329.809 2.626 20 5 EFBDLO CC(C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000102345331 472572691 /nfs/dbraw/zinc/57/26/91/472572691.db2.gz CUARNMNYJLYAMK-UHFFFAOYSA-N 1 2 340.343 2.555 20 5 EFBDLO Cc1c(NC(=O)NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000046944743 472626762 /nfs/dbraw/zinc/62/67/62/472626762.db2.gz XWUHSBCLNGBPKL-UHFFFAOYSA-N 1 2 329.360 2.922 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000120077881 472626904 /nfs/dbraw/zinc/62/69/04/472626904.db2.gz GRGXFSMMCOLDIQ-LBPRGKRZSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000120077881 472626906 /nfs/dbraw/zinc/62/69/06/472626906.db2.gz GRGXFSMMCOLDIQ-LBPRGKRZSA-N 1 2 339.367 2.833 20 5 EFBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120126333 472634464 /nfs/dbraw/zinc/63/44/64/472634464.db2.gz RLUKTDOGULTFKZ-CYBMUJFWSA-N 1 2 340.343 2.562 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155998242 472653495 /nfs/dbraw/zinc/65/34/95/472653495.db2.gz ZKEBOUOJLRENHL-LLVKDONJSA-N 1 2 348.790 2.666 20 5 EFBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120260408 472658883 /nfs/dbraw/zinc/65/88/83/472658883.db2.gz MSCSQNUDVGFTJS-UHFFFAOYSA-N 1 2 331.372 2.811 20 5 EFBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120260408 472658889 /nfs/dbraw/zinc/65/88/89/472658889.db2.gz MSCSQNUDVGFTJS-UHFFFAOYSA-N 1 2 331.372 2.811 20 5 EFBDLO CCOC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000060493754 472661389 /nfs/dbraw/zinc/66/13/89/472661389.db2.gz SHFAGKBONCKBKT-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000131365447 472667799 /nfs/dbraw/zinc/66/77/99/472667799.db2.gz GNZTVMIBICBQIL-UHFFFAOYSA-N 1 2 338.367 2.959 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131467233 472673665 /nfs/dbraw/zinc/67/36/65/472673665.db2.gz XPTAEAIKKWUFNZ-RBSFLKMASA-N 1 2 345.443 2.846 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131467233 472673671 /nfs/dbraw/zinc/67/36/71/472673671.db2.gz XPTAEAIKKWUFNZ-RBSFLKMASA-N 1 2 345.443 2.846 20 5 EFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000120365462 472674983 /nfs/dbraw/zinc/67/49/83/472674983.db2.gz VRLWJEPNRHFBMJ-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677122 472675082 /nfs/dbraw/zinc/67/50/82/472675082.db2.gz CAHTXACPVGRUCE-UHFFFAOYSA-N 1 2 345.424 2.543 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000060832739 472680240 /nfs/dbraw/zinc/68/02/40/472680240.db2.gz UYBDKYDTJIYFDN-UHFFFAOYSA-N 1 2 342.399 2.695 20 5 EFBDLO Cc1cc(NCCNC(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060858359 472681436 /nfs/dbraw/zinc/68/14/36/472681436.db2.gz LYZLGDAMMLHBAS-UHFFFAOYSA-N 1 2 343.387 2.544 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000047273913 472682648 /nfs/dbraw/zinc/68/26/48/472682648.db2.gz BCACEYWIUUCKSW-HNNXBMFYSA-N 1 2 344.371 2.975 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000047273913 472682655 /nfs/dbraw/zinc/68/26/55/472682655.db2.gz BCACEYWIUUCKSW-HNNXBMFYSA-N 1 2 344.371 2.975 20 5 EFBDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131736618 472690156 /nfs/dbraw/zinc/69/01/56/472690156.db2.gz HPZKVIYOCIWTGL-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131736618 472690164 /nfs/dbraw/zinc/69/01/64/472690164.db2.gz HPZKVIYOCIWTGL-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120448082 472691199 /nfs/dbraw/zinc/69/11/99/472691199.db2.gz GFOGVLWLDPOBCH-OLZOCXBDSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000120448082 472691205 /nfs/dbraw/zinc/69/12/05/472691205.db2.gz GFOGVLWLDPOBCH-OLZOCXBDSA-N 1 2 347.415 2.683 20 5 EFBDLO CC[C@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000072684664 472699691 /nfs/dbraw/zinc/69/96/91/472699691.db2.gz OWJBSMLNIZJZJM-HNNXBMFYSA-N 1 2 334.401 2.905 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078477248 472721217 /nfs/dbraw/zinc/72/12/17/472721217.db2.gz CDUWEOFCGJZWRE-GQCTYLIASA-N 1 2 334.763 2.654 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000072836971 472724791 /nfs/dbraw/zinc/72/47/91/472724791.db2.gz FRCBXGBCOZMNJM-AWEZNQCLSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072836971 472724799 /nfs/dbraw/zinc/72/47/99/472724799.db2.gz FRCBXGBCOZMNJM-AWEZNQCLSA-N 1 2 337.445 2.915 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000132357475 472729910 /nfs/dbraw/zinc/72/99/10/472729910.db2.gz IAWNNGDGDLDWAB-UHFFFAOYSA-N 1 2 341.776 2.858 20 5 EFBDLO Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000078625381 472744877 /nfs/dbraw/zinc/74/48/77/472744877.db2.gz XGDJXXWFLZUQSO-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000078625381 472744887 /nfs/dbraw/zinc/74/48/87/472744887.db2.gz XGDJXXWFLZUQSO-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cnc(NCCc2[nH+]c3ccc(F)cc3n2C)c([N+](=O)[O-])c1 ZINC000078665448 472750755 /nfs/dbraw/zinc/75/07/55/472750755.db2.gz MOOWZHGBGRTAFD-UHFFFAOYSA-N 1 2 329.335 2.979 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000120957908 472773488 /nfs/dbraw/zinc/77/34/88/472773488.db2.gz QBCUPOLKURGLBA-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121063328 472792746 /nfs/dbraw/zinc/79/27/46/472792746.db2.gz SYVROTWGSJWGCR-AWEZNQCLSA-N 1 2 335.404 2.541 20 5 EFBDLO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121063328 472792752 /nfs/dbraw/zinc/79/27/52/472792752.db2.gz SYVROTWGSJWGCR-AWEZNQCLSA-N 1 2 335.404 2.541 20 5 EFBDLO CN(CC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000091763761 472804440 /nfs/dbraw/zinc/80/44/40/472804440.db2.gz ILCUEEQEYLXVRF-UHFFFAOYSA-N 1 2 329.422 2.955 20 5 EFBDLO CN(CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000091763761 472804446 /nfs/dbraw/zinc/80/44/46/472804446.db2.gz ILCUEEQEYLXVRF-UHFFFAOYSA-N 1 2 329.422 2.955 20 5 EFBDLO CCCC[N@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091950238 472830854 /nfs/dbraw/zinc/83/08/54/472830854.db2.gz DSVCXYWOIHXIFE-UHFFFAOYSA-N 1 2 348.428 2.806 20 5 EFBDLO CCCC[N@@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091950238 472830861 /nfs/dbraw/zinc/83/08/61/472830861.db2.gz DSVCXYWOIHXIFE-UHFFFAOYSA-N 1 2 348.428 2.806 20 5 EFBDLO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000048273099 472845023 /nfs/dbraw/zinc/84/50/23/472845023.db2.gz VXRNJRQPSDIOSD-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000048273099 472845029 /nfs/dbraw/zinc/84/50/29/472845029.db2.gz VXRNJRQPSDIOSD-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572562 472873732 /nfs/dbraw/zinc/87/37/32/472873732.db2.gz GNRIRQNRPPFFPV-JKSUJKDBSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572562 472873738 /nfs/dbraw/zinc/87/37/38/472873738.db2.gz GNRIRQNRPPFFPV-JKSUJKDBSA-N 1 2 348.424 2.981 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000121574456 472875469 /nfs/dbraw/zinc/87/54/69/472875469.db2.gz JSNCAKSCDTWCJR-UHFFFAOYSA-N 1 2 348.428 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O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCNc1cccc[nH+]1 ZINC000173548367 473873422 /nfs/dbraw/zinc/87/34/22/473873422.db2.gz WQHHWYQDBNYVHN-UHFFFAOYSA-N 1 2 328.372 2.541 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269863189 473901081 /nfs/dbraw/zinc/90/10/81/473901081.db2.gz JVPUJUHQSVGXTJ-LLVKDONJSA-N 1 2 329.316 2.589 20 5 EFBDLO Cc1cc(N(C)[C@@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274654368 473911396 /nfs/dbraw/zinc/91/13/96/473911396.db2.gz DFAVUFWZXFNPLW-MCFWBGNESA-N 1 2 348.428 2.563 20 5 EFBDLO Cc1cc(N(C)[C@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274654371 473911569 /nfs/dbraw/zinc/91/15/69/473911569.db2.gz DFAVUFWZXFNPLW-YYUOZPCZSA-N 1 2 348.428 2.563 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000194699788 473941580 /nfs/dbraw/zinc/94/15/80/473941580.db2.gz NTKPYUKVELRXAZ-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO COC(C)(C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 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CC(=O)N1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C(C)(C)C1 ZINC000182189006 474118765 /nfs/dbraw/zinc/11/87/65/474118765.db2.gz QAKMAJQCIXJWBD-UHFFFAOYSA-N 1 2 349.431 2.825 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000182194360 474119783 /nfs/dbraw/zinc/11/97/83/474119783.db2.gz XYDRNWVLAVOJLJ-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(F)c1 ZINC000198837867 474120541 /nfs/dbraw/zinc/12/05/41/474120541.db2.gz PKHQZQGEIOZGAL-AWEZNQCLSA-N 1 2 344.302 2.580 20 5 EFBDLO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)[NH+]1CCOCC1 ZINC000264768863 474121222 /nfs/dbraw/zinc/12/12/22/474121222.db2.gz NVSMALMTWZQIPN-LBPRGKRZSA-N 1 2 344.371 2.568 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000213138833 474134120 /nfs/dbraw/zinc/13/41/20/474134120.db2.gz RGEKUDRVQUKFIM-FPLPWBNLSA-N 1 2 341.367 2.545 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265241400 474170967 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338.367 2.971 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000283166826 474325501 /nfs/dbraw/zinc/32/55/01/474325501.db2.gz YQNOQNBAOARXJJ-ZIAGYGMSSA-N 1 2 332.429 2.901 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1-n1cc[nH+]c1 ZINC000289660402 474365863 /nfs/dbraw/zinc/36/58/63/474365863.db2.gz OKCWYRPDCLHTCX-UHFFFAOYSA-N 1 2 326.360 2.917 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289669471 474371147 /nfs/dbraw/zinc/37/11/47/474371147.db2.gz FTHPOIKHJJSNLM-WDEREUQCSA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289669471 474371150 /nfs/dbraw/zinc/37/11/50/474371150.db2.gz FTHPOIKHJJSNLM-WDEREUQCSA-N 1 2 327.331 2.899 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265924497 474387532 /nfs/dbraw/zinc/38/75/32/474387532.db2.gz DEGHWDUVLCDTJC-UHFFFAOYSA-N 1 2 331.328 2.822 20 5 EFBDLO COc1cc(N2CC[NH+](Cc3ccco3)CC2)c(F)cc1[N+](=O)[O-] 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C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ncnn1C ZINC000276409789 474531993 /nfs/dbraw/zinc/53/19/93/474531993.db2.gz BBWYRMJQMFHMJT-NSHDSACASA-N 1 2 327.344 2.834 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000284046391 474559385 /nfs/dbraw/zinc/55/93/85/474559385.db2.gz QBOLPUKERNRYMK-LBPRGKRZSA-N 1 2 344.371 2.736 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000284046287 474559877 /nfs/dbraw/zinc/55/98/77/474559877.db2.gz LDOQCZLJCVEZCE-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000284046287 474559883 /nfs/dbraw/zinc/55/98/83/474559883.db2.gz LDOQCZLJCVEZCE-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000267005216 474563175 /nfs/dbraw/zinc/56/31/75/474563175.db2.gz JOMCCSVEHBFMAP-CQSZACIVSA-N 1 2 344.408 2.523 20 5 EFBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000267005216 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CC[C@@]1(C)COCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340871519 474735940 /nfs/dbraw/zinc/73/59/40/474735940.db2.gz DDBADNRRSHKCPM-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO COCC[N@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338937140 474750857 /nfs/dbraw/zinc/75/08/57/474750857.db2.gz CRGQWRCGLQZQJN-UHFFFAOYSA-N 1 2 330.384 2.992 20 5 EFBDLO COCC[N@@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338937140 474750864 /nfs/dbraw/zinc/75/08/64/474750864.db2.gz CRGQWRCGLQZQJN-UHFFFAOYSA-N 1 2 330.384 2.992 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338967021 474785690 /nfs/dbraw/zinc/78/56/90/474785690.db2.gz OKRXAPYGGSKXDA-UHFFFAOYSA-N 1 2 344.293 2.691 20 5 EFBDLO COC[C@@H](C)[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284831856 474789214 /nfs/dbraw/zinc/78/92/14/474789214.db2.gz QMASAZMZRHLOTB-SECBINFHSA-N 1 2 329.194 2.750 20 5 EFBDLO COC[C@@H](C)[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284831856 474789218 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ZINC000337533178 475101679 /nfs/dbraw/zinc/10/16/79/475101679.db2.gz GASXRBOUBWQRBG-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534060 475101987 /nfs/dbraw/zinc/10/19/87/475101987.db2.gz WUERDPFJZNAGQF-CHWSQXEVSA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534060 475101991 /nfs/dbraw/zinc/10/19/91/475101991.db2.gz WUERDPFJZNAGQF-CHWSQXEVSA-N 1 2 326.418 2.555 20 5 EFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337583777 475153741 /nfs/dbraw/zinc/15/37/41/475153741.db2.gz JYRQYTPRQUXYIX-INIZCTEOSA-N 1 2 347.321 2.660 20 5 EFBDLO CSc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000609354720 480153098 /nfs/dbraw/zinc/15/30/98/480153098.db2.gz LMDJBYCIKZKNDA-UHFFFAOYSA-N 1 2 345.380 2.615 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000347320288 475227566 /nfs/dbraw/zinc/22/75/66/475227566.db2.gz 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CNc1c(C(=O)NCc2cn3cccc(C)c3[nH+]2)cccc1[N+](=O)[O-] ZINC000361208999 475271959 /nfs/dbraw/zinc/27/19/59/475271959.db2.gz BTWDVVHBLDWXGF-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000352424876 475283741 /nfs/dbraw/zinc/28/37/41/475283741.db2.gz VAQMMWHSVRCEBP-CYBMUJFWSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000352424876 475283745 /nfs/dbraw/zinc/28/37/45/475283745.db2.gz VAQMMWHSVRCEBP-CYBMUJFWSA-N 1 2 336.779 2.900 20 5 EFBDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000339542743 475290511 /nfs/dbraw/zinc/29/05/11/475290511.db2.gz ZTQQPZOUTNZLBC-GXTWGEPZSA-N 1 2 343.387 2.588 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354623045 475298582 /nfs/dbraw/zinc/29/85/82/475298582.db2.gz CTDXNRCSACSOOC-UHFFFAOYSA-N 1 2 335.323 2.654 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000296491166 475339852 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20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C1 ZINC000354797571 475417321 /nfs/dbraw/zinc/41/73/21/475417321.db2.gz AUPSSDTTWILBOL-LZNQSLFOSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C1 ZINC000354797571 475417334 /nfs/dbraw/zinc/41/73/34/475417334.db2.gz AUPSSDTTWILBOL-LZNQSLFOSA-N 1 2 344.371 2.930 20 5 EFBDLO Cc1cc(NCCOC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352589326 475441728 /nfs/dbraw/zinc/44/17/28/475441728.db2.gz RRHXDRRJZSSPNP-UHFFFAOYSA-N 1 2 342.277 2.730 20 5 EFBDLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620875 475464409 /nfs/dbraw/zinc/46/44/09/475464409.db2.gz JDVBECDSECSGQN-AWEZNQCLSA-N 1 2 349.431 2.823 20 5 EFBDLO CC(C)N(C(=O)[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620875 475464415 /nfs/dbraw/zinc/46/44/15/475464415.db2.gz JDVBECDSECSGQN-AWEZNQCLSA-N 1 2 349.431 2.823 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](CC)CN1C(C)=O ZINC000352627566 475470597 /nfs/dbraw/zinc/47/05/97/475470597.db2.gz HQFHQPCMHZZPPA-GJZGRUSLSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](CC)CN1C(C)=O ZINC000352627566 475470604 /nfs/dbraw/zinc/47/06/04/475470604.db2.gz HQFHQPCMHZZPPA-GJZGRUSLSA-N 1 2 337.395 2.955 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000352645821 475488154 /nfs/dbraw/zinc/48/81/54/475488154.db2.gz NPLYQOMGBLFFHG-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000352645821 475488160 /nfs/dbraw/zinc/48/81/60/475488160.db2.gz NPLYQOMGBLFFHG-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000352645823 475488313 /nfs/dbraw/zinc/48/83/13/475488313.db2.gz NPLYQOMGBLFFHG-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000352645823 475488318 /nfs/dbraw/zinc/48/83/18/475488318.db2.gz NPLYQOMGBLFFHG-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332086412 475506856 /nfs/dbraw/zinc/50/68/56/475506856.db2.gz GXNSSAVYLBUDQA-LLVKDONJSA-N 1 2 334.401 2.503 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671257 475514424 /nfs/dbraw/zinc/51/44/24/475514424.db2.gz MLBDYGJWQZHZCW-MWLCHTKSSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671257 475514427 /nfs/dbraw/zinc/51/44/27/475514427.db2.gz MLBDYGJWQZHZCW-MWLCHTKSSA-N 1 2 336.285 2.727 20 5 EFBDLO COc1ccccc1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674906 475518576 /nfs/dbraw/zinc/51/85/76/475518576.db2.gz DYGCWXIYITZWAC-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1ccccc1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674906 475518584 /nfs/dbraw/zinc/51/85/84/475518584.db2.gz DYGCWXIYITZWAC-UHFFFAOYSA-N 1 2 344.367 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ZINC000332371527 475616773 /nfs/dbraw/zinc/61/67/73/475616773.db2.gz BFWCVQBAMSDODE-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000348369582 475624267 /nfs/dbraw/zinc/62/42/67/475624267.db2.gz UWSONEYBNURZAD-OAHLLOKOSA-N 1 2 349.822 2.850 20 5 EFBDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000332405140 475628422 /nfs/dbraw/zinc/62/84/22/475628422.db2.gz XFYLOFDWQBPUJS-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332414444 475629725 /nfs/dbraw/zinc/62/97/25/475629725.db2.gz SYFGLIVMLAMZFT-NEPJUHHUSA-N 1 2 346.362 2.967 20 5 EFBDLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC000342973872 475666623 /nfs/dbraw/zinc/66/66/23/475666623.db2.gz CZZUUIOORNZWOM-UHFFFAOYSA-N 1 2 338.367 2.837 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000332564550 475670236 /nfs/dbraw/zinc/67/02/36/475670236.db2.gz ANVAFMHMUUKADE-UHFFFAOYSA-N 1 2 330.388 2.716 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348517710 475718332 /nfs/dbraw/zinc/71/83/32/475718332.db2.gz XKRDSRRBQXKORY-UHFFFAOYSA-N 1 2 349.338 2.829 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353206271 475769911 /nfs/dbraw/zinc/76/99/11/475769911.db2.gz NCJSALYIBIIJGX-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353206271 475769919 /nfs/dbraw/zinc/76/99/19/475769919.db2.gz NCJSALYIBIIJGX-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353216782 475777313 /nfs/dbraw/zinc/77/73/13/475777313.db2.gz VIUWYBJRTJOOGY-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353216782 475777325 /nfs/dbraw/zinc/77/73/25/475777325.db2.gz VIUWYBJRTJOOGY-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO CC(=O)Nc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000297520569 475792307 /nfs/dbraw/zinc/79/23/07/475792307.db2.gz YBIPXKCNSGCDTQ-UHFFFAOYSA-N 1 2 341.367 2.816 20 5 EFBDLO Cc1cc(NC(=O)NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338335522 475799822 /nfs/dbraw/zinc/79/98/22/475799822.db2.gz FEOTUPMVFDDUQT-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncn(-c2ccccc2)n1 ZINC000338345169 475809136 /nfs/dbraw/zinc/80/91/36/475809136.db2.gz FIPWXJQQJJHIOL-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncn(-c2ccccc2)n1 ZINC000338345169 475809146 /nfs/dbraw/zinc/80/91/46/475809146.db2.gz FIPWXJQQJJHIOL-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO Cc1cc(N[C@H](C)c2ccon2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000353275865 475824885 /nfs/dbraw/zinc/82/48/85/475824885.db2.gz KPHPEDCADQREAJ-LLVKDONJSA-N 1 2 325.328 2.943 20 5 EFBDLO CN(C)c1ccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2[nH+]1 ZINC000346751945 475825458 /nfs/dbraw/zinc/82/54/58/475825458.db2.gz DKHKNCXJKRRQGP-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000343172735 475832699 /nfs/dbraw/zinc/83/26/99/475832699.db2.gz VSWYMWFSBFXMBL-UHFFFAOYSA-N 1 2 334.401 2.713 20 5 EFBDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338378115 475842454 /nfs/dbraw/zinc/84/24/54/475842454.db2.gz HEABHPLQXYWYIZ-LBPRGKRZSA-N 1 2 334.376 2.750 20 5 EFBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338378115 475842460 /nfs/dbraw/zinc/84/24/60/475842460.db2.gz HEABHPLQXYWYIZ-LBPRGKRZSA-N 1 2 334.376 2.750 20 5 EFBDLO CC[N@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000355353940 475858723 /nfs/dbraw/zinc/85/87/23/475858723.db2.gz QNPNZIGKRUBCFR-UHFFFAOYSA-N 1 2 347.346 2.833 20 5 EFBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000355353940 475858725 /nfs/dbraw/zinc/85/87/25/475858725.db2.gz QNPNZIGKRUBCFR-UHFFFAOYSA-N 1 2 347.346 2.833 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cccc(C)[nH+]1 ZINC000343221465 475865712 /nfs/dbraw/zinc/86/57/12/475865712.db2.gz BMZGYNOSKQTWJT-UHFFFAOYSA-N 1 2 328.372 2.703 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000297786361 475885119 /nfs/dbraw/zinc/88/51/19/475885119.db2.gz RBLLDDRFNWUJIB-AWEZNQCLSA-N 1 2 344.371 2.560 20 5 EFBDLO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338420825 475887904 /nfs/dbraw/zinc/88/79/04/475887904.db2.gz GNJYDWGCXGALSE-CQSZACIVSA-N 1 2 335.404 2.685 20 5 EFBDLO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338420825 475887907 /nfs/dbraw/zinc/88/79/07/475887907.db2.gz GNJYDWGCXGALSE-CQSZACIVSA-N 1 2 335.404 2.685 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353388893 475928351 /nfs/dbraw/zinc/92/83/51/475928351.db2.gz SMCREPNBDBEHLJ-KRWDZBQOSA-N 1 2 344.415 2.967 20 5 EFBDLO CCc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000338489237 475952064 /nfs/dbraw/zinc/95/20/64/475952064.db2.gz LYTYQSQLLJTDRB-UHFFFAOYSA-N 1 2 338.371 2.666 20 5 EFBDLO Cc1[nH]c2ccc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2[nH+]1 ZINC000358857793 475993490 /nfs/dbraw/zinc/99/34/90/475993490.db2.gz FHMJBKLEEQKBHK-UHFFFAOYSA-N 1 2 336.307 2.576 20 5 EFBDLO Cc1[nH]c2cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)ccc2[nH+]1 ZINC000358857793 475993498 /nfs/dbraw/zinc/99/34/98/475993498.db2.gz FHMJBKLEEQKBHK-UHFFFAOYSA-N 1 2 336.307 2.576 20 5 EFBDLO Cc1sc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000343372915 475998404 /nfs/dbraw/zinc/99/84/04/475998404.db2.gz ZMAYYFQNFVHVTL-UHFFFAOYSA-N 1 2 343.368 2.857 20 5 EFBDLO CCC(CC)[C@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531492 476052830 /nfs/dbraw/zinc/05/28/30/476052830.db2.gz VITWKUHGEHXPHP-IAGOWNOFSA-N 1 2 346.431 2.804 20 5 EFBDLO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000362182461 476054862 /nfs/dbraw/zinc/05/48/62/476054862.db2.gz QQZMHLIQHAHWGD-AWEZNQCLSA-N 1 2 338.310 2.705 20 5 EFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000353580422 476097246 /nfs/dbraw/zinc/09/72/46/476097246.db2.gz ZXVZCOPRWNPPKK-HNNXBMFYSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000353580422 476097257 /nfs/dbraw/zinc/09/72/57/476097257.db2.gz ZXVZCOPRWNPPKK-HNNXBMFYSA-N 1 2 336.388 2.780 20 5 EFBDLO Cc1cc(N[C@@H]2CCO[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340567907 476111366 /nfs/dbraw/zinc/11/13/66/476111366.db2.gz CMJBVRPLHBAIQL-NVXWUHKLSA-N 1 2 340.383 2.762 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000357018565 476159845 /nfs/dbraw/zinc/15/98/45/476159845.db2.gz KCKBDGHPMAITKG-UHFFFAOYSA-N 1 2 336.388 2.685 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC000350394611 476164704 /nfs/dbraw/zinc/16/47/04/476164704.db2.gz RFKMSXRZCAKKFE-UHFFFAOYSA-N 1 2 331.372 2.953 20 5 EFBDLO Cc1c(CNC(=O)Nc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000353682913 476185551 /nfs/dbraw/zinc/18/55/51/476185551.db2.gz ZFGXCGTXOWHIIC-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO CCC(CC)[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000359118380 476203911 /nfs/dbraw/zinc/20/39/11/476203911.db2.gz DUKNBIZFYNSLCN-KRWDZBQOSA-N 1 2 349.431 2.979 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000347261883 476213416 /nfs/dbraw/zinc/21/34/16/476213416.db2.gz SFKSWUHZIGTXGQ-HNNXBMFYSA-N 1 2 343.387 2.621 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CCC2 ZINC000347301351 476243738 /nfs/dbraw/zinc/24/37/38/476243738.db2.gz LLZAEXRUTVLEMQ-LLVKDONJSA-N 1 2 347.350 2.938 20 5 EFBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]2C ZINC000359636258 476254231 /nfs/dbraw/zinc/25/42/31/476254231.db2.gz NZVKLAAHYJEIPO-NEPJUHHUSA-N 1 2 330.388 2.845 20 5 EFBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]2C ZINC000359636258 476254233 /nfs/dbraw/zinc/25/42/33/476254233.db2.gz NZVKLAAHYJEIPO-NEPJUHHUSA-N 1 2 330.388 2.845 20 5 EFBDLO C[N@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H]1CCSC1 ZINC000350590291 476257084 /nfs/dbraw/zinc/25/70/84/476257084.db2.gz CTUVHQIJJCUBGB-LBPRGKRZSA-N 1 2 334.401 2.506 20 5 EFBDLO C[N@@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H]1CCSC1 ZINC000350590291 476257093 /nfs/dbraw/zinc/25/70/93/476257093.db2.gz CTUVHQIJJCUBGB-LBPRGKRZSA-N 1 2 334.401 2.506 20 5 EFBDLO O=C(NCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353802864 476280058 /nfs/dbraw/zinc/28/00/58/476280058.db2.gz WICVNRKJUDYQBH-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362526799 476297639 /nfs/dbraw/zinc/29/76/39/476297639.db2.gz VIVNPNBHMCNTBW-RCFWFJCLSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362526799 476297640 /nfs/dbraw/zinc/29/76/40/476297640.db2.gz VIVNPNBHMCNTBW-RCFWFJCLSA-N 1 2 332.400 2.735 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353938109 476331120 /nfs/dbraw/zinc/33/11/20/476331120.db2.gz RNHKGEFLBCFNHK-CYBMUJFWSA-N 1 2 343.387 2.912 20 5 EFBDLO Cc1ccc[nH+]c1CCc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000351132988 476344546 /nfs/dbraw/zinc/34/45/46/476344546.db2.gz QSCYHAKAKVTVSB-UHFFFAOYSA-N 1 2 325.328 2.837 20 5 EFBDLO Nc1[nH+]cnc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC000362673993 476347706 /nfs/dbraw/zinc/34/77/06/476347706.db2.gz ZAMHVCYDNPLXQG-UHFFFAOYSA-N 1 2 347.684 2.673 20 5 EFBDLO Nc1nc[nH+]c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC000362673993 476347709 /nfs/dbraw/zinc/34/77/09/476347709.db2.gz ZAMHVCYDNPLXQG-UHFFFAOYSA-N 1 2 347.684 2.673 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354095486 476420955 /nfs/dbraw/zinc/42/09/55/476420955.db2.gz BMRRQBUEALMAAL-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354095486 476420961 /nfs/dbraw/zinc/42/09/61/476420961.db2.gz BMRRQBUEALMAAL-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO O=C(Nc1cnn(C(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357513453 476424004 /nfs/dbraw/zinc/42/40/04/476424004.db2.gz DKLYITMAABWAQK-UHFFFAOYSA-N 1 2 348.269 2.624 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354099033 476425096 /nfs/dbraw/zinc/42/50/96/476425096.db2.gz APQPVNWRKGVHSO-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354099033 476425101 /nfs/dbraw/zinc/42/51/01/476425101.db2.gz APQPVNWRKGVHSO-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000354100001 476425606 /nfs/dbraw/zinc/42/56/06/476425606.db2.gz JBJILQMYERDKNA-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000354100001 476425610 /nfs/dbraw/zinc/42/56/10/476425610.db2.gz JBJILQMYERDKNA-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000362826688 476428512 /nfs/dbraw/zinc/42/85/12/476428512.db2.gz NPXSCVRZMGDZIV-UHFFFAOYSA-N 1 2 342.174 2.796 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354108678 476433042 /nfs/dbraw/zinc/43/30/42/476433042.db2.gz GKIYQWWFPQXOCF-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354108678 476433047 /nfs/dbraw/zinc/43/30/47/476433047.db2.gz GKIYQWWFPQXOCF-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000360929104 476483626 /nfs/dbraw/zinc/48/36/26/476483626.db2.gz CRVWYXBVSVUWIK-HIFRSBDPSA-N 1 2 330.388 2.565 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000360949857 476497995 /nfs/dbraw/zinc/49/79/95/476497995.db2.gz SIZDNFWYHBCEHG-UHFFFAOYSA-N 1 2 346.313 2.515 20 5 EFBDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008885 476515607 /nfs/dbraw/zinc/51/56/07/476515607.db2.gz SACDTDVIYOFWFI-SMDDNHRTSA-N 1 2 339.342 2.677 20 5 EFBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008885 476515610 /nfs/dbraw/zinc/51/56/10/476515610.db2.gz SACDTDVIYOFWFI-SMDDNHRTSA-N 1 2 339.342 2.677 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000370053246 476649257 /nfs/dbraw/zinc/64/92/57/476649257.db2.gz MXWHNRFYEXBFPV-ZDUSSCGKSA-N 1 2 332.360 2.542 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000370053246 476649262 /nfs/dbraw/zinc/64/92/62/476649262.db2.gz MXWHNRFYEXBFPV-ZDUSSCGKSA-N 1 2 332.360 2.542 20 5 EFBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000370055510 476650844 /nfs/dbraw/zinc/65/08/44/476650844.db2.gz KBGYLLKOFWGGIK-CYBMUJFWSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000370055510 476650846 /nfs/dbraw/zinc/65/08/46/476650846.db2.gz KBGYLLKOFWGGIK-CYBMUJFWSA-N 1 2 346.387 2.683 20 5 EFBDLO CC1CCC(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000370057700 476652309 /nfs/dbraw/zinc/65/23/09/476652309.db2.gz ZKFDKQCESXONMZ-UHFFFAOYSA-N 1 2 336.436 2.888 20 5 EFBDLO Cc1noc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000370160576 476681573 /nfs/dbraw/zinc/68/15/73/476681573.db2.gz JMIPCUAOTQFMFM-ZDUSSCGKSA-N 1 2 338.389 2.605 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451889479 476702874 /nfs/dbraw/zinc/70/28/74/476702874.db2.gz MKKHYMUPRUABIF-UFBFGSQYSA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451889479 476702880 /nfs/dbraw/zinc/70/28/80/476702880.db2.gz MKKHYMUPRUABIF-UFBFGSQYSA-N 1 2 338.713 2.993 20 5 EFBDLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])cc1F ZINC000456831220 476753954 /nfs/dbraw/zinc/75/39/54/476753954.db2.gz SXFMXFRARVBTJN-UHFFFAOYSA-N 1 2 333.319 2.684 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000370355401 476770718 /nfs/dbraw/zinc/77/07/18/476770718.db2.gz NXAPUBLQDJVLCH-KEDPEKRHSA-N 1 2 344.392 2.726 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000430204465 476780672 /nfs/dbraw/zinc/78/06/72/476780672.db2.gz LEWGLTPQKPYMQT-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000430204465 476780678 /nfs/dbraw/zinc/78/06/78/476780678.db2.gz LEWGLTPQKPYMQT-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000370392397 476789097 /nfs/dbraw/zinc/78/90/97/476789097.db2.gz YPBMBWXJZCXTGO-TZMCWYRMSA-N 1 2 328.372 2.540 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CN1C(C)=O ZINC000430242762 476789833 /nfs/dbraw/zinc/78/98/33/476789833.db2.gz SWGUIYYGQMAIMC-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CN1C(C)=O ZINC000430242762 476789838 /nfs/dbraw/zinc/78/98/38/476789838.db2.gz SWGUIYYGQMAIMC-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436412 476835641 /nfs/dbraw/zinc/83/56/41/476835641.db2.gz KYJBGSUOVFUODX-GDBMZVCRSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436412 476835649 /nfs/dbraw/zinc/83/56/49/476835649.db2.gz KYJBGSUOVFUODX-GDBMZVCRSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436413 476835909 /nfs/dbraw/zinc/83/59/09/476835909.db2.gz KYJBGSUOVFUODX-GOEBONIOSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436413 476835912 /nfs/dbraw/zinc/83/59/12/476835912.db2.gz KYJBGSUOVFUODX-GOEBONIOSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436618 476838439 /nfs/dbraw/zinc/83/84/39/476838439.db2.gz KYJBGSUOVFUODX-ZBFHGGJFSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436618 476838448 /nfs/dbraw/zinc/83/84/48/476838448.db2.gz KYJBGSUOVFUODX-ZBFHGGJFSA-N 1 2 348.399 2.564 20 5 EFBDLO Cc1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414501125 476883903 /nfs/dbraw/zinc/88/39/03/476883903.db2.gz DCTSYSYWRQGVFY-UHFFFAOYSA-N 1 2 334.397 2.597 20 5 EFBDLO CN(CC1CCCCC1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737686 476913858 /nfs/dbraw/zinc/91/38/58/476913858.db2.gz YOXQVODILLPUOU-UHFFFAOYSA-N 1 2 345.443 2.992 20 5 EFBDLO CN(CC1CCCCC1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737686 476913862 /nfs/dbraw/zinc/91/38/62/476913862.db2.gz YOXQVODILLPUOU-UHFFFAOYSA-N 1 2 345.443 2.992 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c[nH+]c2n1CCCC2 ZINC000452330334 476919317 /nfs/dbraw/zinc/91/93/17/476919317.db2.gz AEUHGKIJBMVJEQ-UHFFFAOYSA-N 1 2 339.355 2.721 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452333765 476920544 /nfs/dbraw/zinc/92/05/44/476920544.db2.gz RUUPUWHSBIUDSH-UHFFFAOYSA-N 1 2 330.344 2.779 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000446842671 476927387 /nfs/dbraw/zinc/92/73/87/476927387.db2.gz GYNWHLVONBLJGF-DDJMYBDESA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000446842671 476927392 /nfs/dbraw/zinc/92/73/92/476927392.db2.gz GYNWHLVONBLJGF-DDJMYBDESA-N 1 2 338.429 2.507 20 5 EFBDLO CC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000366291176 476943228 /nfs/dbraw/zinc/94/32/28/476943228.db2.gz MHTYDORZCFXFCQ-RDJZCZTQSA-N 1 2 347.415 2.853 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000452451664 476970599 /nfs/dbraw/zinc/97/05/99/476970599.db2.gz MJPIOTQRGMJNQM-CYBMUJFWSA-N 1 2 332.335 2.691 20 5 EFBDLO CC[C@@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000447795955 477056037 /nfs/dbraw/zinc/05/60/37/477056037.db2.gz RMRAWKLQHJQGKR-SNVBAGLBSA-N 1 2 349.309 2.567 20 5 EFBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000447808832 477062801 /nfs/dbraw/zinc/06/28/01/477062801.db2.gz WREWYKALYSMOSS-KRWDZBQOSA-N 1 2 337.420 2.510 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000366559551 477069258 /nfs/dbraw/zinc/06/92/58/477069258.db2.gz RARQNGFXRNELEQ-AWEZNQCLSA-N 1 2 340.445 2.585 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000366559551 477069262 /nfs/dbraw/zinc/06/92/62/477069262.db2.gz RARQNGFXRNELEQ-AWEZNQCLSA-N 1 2 340.445 2.585 20 5 EFBDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452836128 477100471 /nfs/dbraw/zinc/10/04/71/477100471.db2.gz DHJVTCKLYUOOKS-HNNXBMFYSA-N 1 2 342.399 2.667 20 5 EFBDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452836129 477101053 /nfs/dbraw/zinc/10/10/53/477101053.db2.gz DHJVTCKLYUOOKS-OAHLLOKOSA-N 1 2 342.399 2.667 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCOC[C@@H](C)C1 ZINC000371099895 477123412 /nfs/dbraw/zinc/12/34/12/477123412.db2.gz MRQPWJXEPFXGTM-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCOC[C@@H](C)C1 ZINC000371099895 477123416 /nfs/dbraw/zinc/12/34/16/477123416.db2.gz MRQPWJXEPFXGTM-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376019264 477132711 /nfs/dbraw/zinc/13/27/11/477132711.db2.gz OJGVGEXINNABOO-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376019264 477132720 /nfs/dbraw/zinc/13/27/20/477132720.db2.gz OJGVGEXINNABOO-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO CC(C)c1noc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000366746289 477164384 /nfs/dbraw/zinc/16/43/84/477164384.db2.gz PKCUJZMVYZAYPS-NSHDSACASA-N 1 2 334.380 2.696 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000453182912 477186800 /nfs/dbraw/zinc/18/68/00/477186800.db2.gz SWUSCOSYGAMKPZ-AWEZNQCLSA-N 1 2 342.399 2.870 20 5 EFBDLO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000458208537 477320890 /nfs/dbraw/zinc/32/08/90/477320890.db2.gz XFSYLTIMWPJVCQ-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc(-n3cc[nH+]c3)nc1)CCN2 ZINC000376428073 477329254 /nfs/dbraw/zinc/32/92/54/477329254.db2.gz NCLXWTRTDKIBRA-UHFFFAOYSA-N 1 2 336.355 2.756 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000454731554 477351818 /nfs/dbraw/zinc/35/18/18/477351818.db2.gz UDCORWXHXVQUTQ-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO O=C(N1CCC[C@H]1c1[nH]cc[nH+]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371525759 477370748 /nfs/dbraw/zinc/37/07/48/477370748.db2.gz BDMJNWKRUCKOPM-LBPRGKRZSA-N 1 2 336.298 2.773 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376619724 477433142 /nfs/dbraw/zinc/43/31/42/477433142.db2.gz PXWYQLPMGPMZOU-HONMWMINSA-N 1 2 330.344 2.569 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376619724 477433148 /nfs/dbraw/zinc/43/31/48/477433148.db2.gz PXWYQLPMGPMZOU-HONMWMINSA-N 1 2 330.344 2.569 20 5 EFBDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454945026 477439662 /nfs/dbraw/zinc/43/96/62/477439662.db2.gz PVOJYKWHBAAESK-NHYWBVRUSA-N 1 2 343.387 2.840 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000413034252 477479973 /nfs/dbraw/zinc/47/99/73/477479973.db2.gz NNUIMULVQCEMPX-INIZCTEOSA-N 1 2 346.362 2.614 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000413055814 477490365 /nfs/dbraw/zinc/49/03/65/477490365.db2.gz BRDDMIIFQNWAFS-GHMZBOCLSA-N 1 2 347.350 2.881 20 5 EFBDLO COc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000455097592 477497620 /nfs/dbraw/zinc/49/76/20/477497620.db2.gz IGHMNBJSHQVYIV-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455097603 477498107 /nfs/dbraw/zinc/49/81/07/477498107.db2.gz IJRAMCZBZOOJER-SNVBAGLBSA-N 1 2 333.348 2.703 20 5 EFBDLO COc1ccc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000455106746 477501660 /nfs/dbraw/zinc/50/16/60/477501660.db2.gz SPBOCVLNIIFZMU-MWLCHTKSSA-N 1 2 331.332 2.627 20 5 EFBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000413077533 477503781 /nfs/dbraw/zinc/50/37/81/477503781.db2.gz MNHQGJHSSAKRTH-VIFPVBQESA-N 1 2 329.282 2.953 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455174679 477530812 /nfs/dbraw/zinc/53/08/12/477530812.db2.gz VMXJGDVIHOIVOJ-BXKDBHETSA-N 1 2 331.332 2.627 20 5 EFBDLO Cc1nnc2n1C[C@@H](CNc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413135916 477539889 /nfs/dbraw/zinc/53/98/89/477539889.db2.gz XSDNHHDOWOQFIW-GFCCVEGCSA-N 1 2 338.371 2.717 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](Cn4ccnn4)C3)c2c1 ZINC000413195700 477565266 /nfs/dbraw/zinc/56/52/66/477565266.db2.gz CZFWPSKCRMPRKW-ZDUSSCGKSA-N 1 2 338.371 2.651 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(Cn4ccnn4)CC3)c2c1 ZINC000413201580 477567731 /nfs/dbraw/zinc/56/77/31/477567731.db2.gz LEIJUWAUILPVGU-UHFFFAOYSA-N 1 2 338.371 2.651 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000413219983 477577120 /nfs/dbraw/zinc/57/71/20/477577120.db2.gz NRFAMMCCLZAGSC-SUMWQHHRSA-N 1 2 329.356 2.893 20 5 EFBDLO CC(=O)N1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413257483 477594739 /nfs/dbraw/zinc/59/47/39/477594739.db2.gz AXINLXOTPONUSS-CYBMUJFWSA-N 1 2 328.372 2.813 20 5 EFBDLO Cc1cc(NCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000413273533 477603879 /nfs/dbraw/zinc/60/38/79/477603879.db2.gz VMGPLRAYKQWRQR-UHFFFAOYSA-N 1 2 326.360 2.709 20 5 EFBDLO CC[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413276215 477605423 /nfs/dbraw/zinc/60/54/23/477605423.db2.gz YMMZVOOHYWHFNE-LLVKDONJSA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413276215 477605428 /nfs/dbraw/zinc/60/54/28/477605428.db2.gz YMMZVOOHYWHFNE-LLVKDONJSA-N 1 2 348.325 2.531 20 5 EFBDLO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436863625 477618365 /nfs/dbraw/zinc/61/83/65/477618365.db2.gz JSIBMPZUYPCCJW-UHFFFAOYSA-N 1 2 349.431 2.788 20 5 EFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436890514 477625500 /nfs/dbraw/zinc/62/55/00/477625500.db2.gz FMWCLQVUNSKHOC-UHFFFAOYSA-N 1 2 338.323 2.621 20 5 EFBDLO C[NH+](C)CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436958777 477649352 /nfs/dbraw/zinc/64/93/52/477649352.db2.gz CPNQNGAYLMBXCW-UHFFFAOYSA-N 1 2 329.356 2.657 20 5 EFBDLO Cc1cc(NC[C@@H]2CC[C@H](C)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413376428 477653979 /nfs/dbraw/zinc/65/39/79/477653979.db2.gz MPGFJAVIUARTLG-WFASDCNBSA-N 1 2 328.372 2.762 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000377137700 477660723 /nfs/dbraw/zinc/66/07/23/477660723.db2.gz ARVNAEJXYKTOAP-CYBMUJFWSA-N 1 2 326.356 2.883 20 5 EFBDLO C[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450645330 477668079 /nfs/dbraw/zinc/66/80/79/477668079.db2.gz FVTGHNGGKKIWGT-SECBINFHSA-N 1 2 342.277 2.851 20 5 EFBDLO Cc1cc(N2CCCO[C@@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413485683 477695878 /nfs/dbraw/zinc/69/58/78/477695878.db2.gz UUWUVGKBMCFQQE-HNNXBMFYSA-N 1 2 346.362 2.925 20 5 EFBDLO CC(C)Oc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000413489588 477697198 /nfs/dbraw/zinc/69/71/98/477697198.db2.gz SMPIKUZYJWQSPA-ZDUSSCGKSA-N 1 2 346.387 2.645 20 5 EFBDLO COCC[C@@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413498939 477700790 /nfs/dbraw/zinc/70/07/90/477700790.db2.gz YAWSZLSDIQDSSW-GFCCVEGCSA-N 1 2 330.388 2.867 20 5 EFBDLO CCc1cc(NCC2(CC)COC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450850023 477736883 /nfs/dbraw/zinc/73/68/83/477736883.db2.gz YGDZQQHZGAFCSI-UHFFFAOYSA-N 1 2 342.399 2.875 20 5 EFBDLO Cc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000420844565 477792688 /nfs/dbraw/zinc/79/26/88/477792688.db2.gz SLBSXAASEPSYLD-UHFFFAOYSA-N 1 2 328.372 2.914 20 5 EFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000438304959 477821063 /nfs/dbraw/zinc/82/10/63/477821063.db2.gz MEPMAKXCPOOJMH-GOSISDBHSA-N 1 2 342.395 2.901 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420944696 477846058 /nfs/dbraw/zinc/84/60/58/477846058.db2.gz ACHXZFSARRSSBQ-VBNZEHGJSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420944696 477846066 /nfs/dbraw/zinc/84/60/66/477846066.db2.gz ACHXZFSARRSSBQ-VBNZEHGJSA-N 1 2 335.404 2.811 20 5 EFBDLO CCC(CC)[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558132771 477846576 /nfs/dbraw/zinc/84/65/76/477846576.db2.gz VLJRHUBAIVQKHH-MRXNPFEDSA-N 1 2 344.415 2.991 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000428362575 477876199 /nfs/dbraw/zinc/87/61/99/477876199.db2.gz NWYZMQHUWDQKEC-ZDUSSCGKSA-N 1 2 325.328 2.524 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456354611 477881522 /nfs/dbraw/zinc/88/15/22/477881522.db2.gz NQENQUOOGXLPGU-LLVKDONJSA-N 1 2 332.360 2.701 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456359030 477885393 /nfs/dbraw/zinc/88/53/93/477885393.db2.gz CSAITPIBFVAAGO-ZANVPECISA-N 1 2 334.763 2.809 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375877 477896496 /nfs/dbraw/zinc/89/64/96/477896496.db2.gz KJCPDCJYDKRHTQ-WDEREUQCSA-N 1 2 332.385 2.706 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2[nH+]ccn21 ZINC000456393939 477909163 /nfs/dbraw/zinc/90/91/63/477909163.db2.gz RTJXUUWBTQQRHN-XPTSAGLGSA-N 1 2 325.328 2.708 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456395823 477910298 /nfs/dbraw/zinc/91/02/98/477910298.db2.gz SNCVJBXZRBVFOW-MFKMUULPSA-N 1 2 332.385 2.706 20 5 EFBDLO COc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1C ZINC000456399470 477912922 /nfs/dbraw/zinc/91/29/22/477912922.db2.gz CWOOPTHFXVXUPN-CABZTGNLSA-N 1 2 330.344 2.544 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456415925 477922756 /nfs/dbraw/zinc/92/27/56/477922756.db2.gz JPBPGSKZTRZIGP-GHMZBOCLSA-N 1 2 330.344 2.626 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456421636 477926044 /nfs/dbraw/zinc/92/60/44/477926044.db2.gz NOWULGWPPDEBCK-MEBBXXQBSA-N 1 2 339.355 2.637 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456421638 477926443 /nfs/dbraw/zinc/92/64/43/477926443.db2.gz NOWULGWPPDEBCK-ZUZCIYMTSA-N 1 2 339.355 2.637 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456425484 477928010 /nfs/dbraw/zinc/92/80/10/477928010.db2.gz QANCUOXHXYSGAX-YPMHNXCESA-N 1 2 328.372 2.891 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739889 477927973 /nfs/dbraw/zinc/92/79/73/477927973.db2.gz XDEOFZWOOSFMNX-QGZVFWFLSA-N 1 2 328.368 2.983 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739889 477927983 /nfs/dbraw/zinc/92/79/83/477927983.db2.gz XDEOFZWOOSFMNX-QGZVFWFLSA-N 1 2 328.368 2.983 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000532934246 478008127 /nfs/dbraw/zinc/00/81/27/478008127.db2.gz LKYMLUGLAYOGIR-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000532934246 478008135 /nfs/dbraw/zinc/00/81/35/478008135.db2.gz LKYMLUGLAYOGIR-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO CC[C@@H](C[C@@H](C)CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439710877 478020831 /nfs/dbraw/zinc/02/08/31/478020831.db2.gz PHVPJRBMLLWWGJ-DOMZBBRYSA-N 1 2 344.415 2.991 20 5 EFBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459708528 478050408 /nfs/dbraw/zinc/05/04/08/478050408.db2.gz KANIEUYVRJMYQT-CQSZACIVSA-N 1 2 335.404 2.733 20 5 EFBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459708528 478050413 /nfs/dbraw/zinc/05/04/13/478050413.db2.gz KANIEUYVRJMYQT-CQSZACIVSA-N 1 2 335.404 2.733 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459719957 478056834 /nfs/dbraw/zinc/05/68/34/478056834.db2.gz YQPLESIPNYTRME-UHFFFAOYSA-N 1 2 333.392 2.699 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533394992 478074488 /nfs/dbraw/zinc/07/44/88/478074488.db2.gz JGAAFLNBZOZYND-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2C1 ZINC000533394992 478074493 /nfs/dbraw/zinc/07/44/93/478074493.db2.gz JGAAFLNBZOZYND-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO O=C1[C@H]([N@@H+]2Cc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459759599 478078014 /nfs/dbraw/zinc/07/80/14/478078014.db2.gz SYBCOYFRHJRECY-QGZVFWFLSA-N 1 2 341.342 2.855 20 5 EFBDLO O=C1[C@H]([N@H+]2Cc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459759599 478078022 /nfs/dbraw/zinc/07/80/22/478078022.db2.gz SYBCOYFRHJRECY-QGZVFWFLSA-N 1 2 341.342 2.855 20 5 EFBDLO COCCc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451546416 478080260 /nfs/dbraw/zinc/08/02/60/478080260.db2.gz JGVASRZSCMKGRG-AWEZNQCLSA-N 1 2 346.387 2.546 20 5 EFBDLO COCCc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451546416 478080265 /nfs/dbraw/zinc/08/02/65/478080265.db2.gz JGVASRZSCMKGRG-AWEZNQCLSA-N 1 2 346.387 2.546 20 5 EFBDLO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c1 ZINC000487897137 478082565 /nfs/dbraw/zinc/08/25/65/478082565.db2.gz MAEUVQQSLDTDMP-UHFFFAOYSA-N 1 2 325.324 2.670 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574146 478102632 /nfs/dbraw/zinc/10/26/32/478102632.db2.gz RFTOEPMQFFMPJJ-HZMBPMFUSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574146 478102641 /nfs/dbraw/zinc/10/26/41/478102641.db2.gz RFTOEPMQFFMPJJ-HZMBPMFUSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000487991966 478103305 /nfs/dbraw/zinc/10/33/05/478103305.db2.gz WXEBUSJYNCFPQE-ZDUSSCGKSA-N 1 2 338.367 2.971 20 5 EFBDLO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429553380 478152488 /nfs/dbraw/zinc/15/24/88/478152488.db2.gz NRIFVXFSCHVAPT-UHFFFAOYSA-N 1 2 339.823 2.986 20 5 EFBDLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429553380 478152491 /nfs/dbraw/zinc/15/24/91/478152491.db2.gz NRIFVXFSCHVAPT-UHFFFAOYSA-N 1 2 339.823 2.986 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000488773164 478182193 /nfs/dbraw/zinc/18/21/93/478182193.db2.gz YPAXXUQRDPMYRK-UHFFFAOYSA-N 1 2 326.360 2.505 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000535721329 478222399 /nfs/dbraw/zinc/22/23/99/478222399.db2.gz IKFYZTIXYBZHFI-CYBMUJFWSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000535721329 478222403 /nfs/dbraw/zinc/22/24/03/478222403.db2.gz IKFYZTIXYBZHFI-CYBMUJFWSA-N 1 2 337.420 2.905 20 5 EFBDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612202 478240587 /nfs/dbraw/zinc/24/05/87/478240587.db2.gz NZEXFHSEYUGFAJ-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612202 478240593 /nfs/dbraw/zinc/24/05/93/478240593.db2.gz NZEXFHSEYUGFAJ-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO O=C(N[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590679670 478287035 /nfs/dbraw/zinc/28/70/35/478287035.db2.gz QYEOWFOZGXLRQC-LLVKDONJSA-N 1 2 336.298 2.698 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(F)(F)CC1 ZINC000590753567 478319642 /nfs/dbraw/zinc/31/96/42/478319642.db2.gz FXYGHTKUJIOKIR-UHFFFAOYSA-N 1 2 336.298 2.652 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754699 478321586 /nfs/dbraw/zinc/32/15/86/478321586.db2.gz PEQLAWYGRYQALU-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754699 478321593 /nfs/dbraw/zinc/32/15/93/478321593.db2.gz PEQLAWYGRYQALU-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775040 478331731 /nfs/dbraw/zinc/33/17/31/478331731.db2.gz OLFFMADZEATFHP-MRXNPFEDSA-N 1 2 342.399 2.978 20 5 EFBDLO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000538369385 478356297 /nfs/dbraw/zinc/35/62/97/478356297.db2.gz DZRZXMGIGBYZNK-UHFFFAOYSA-N 1 2 327.344 2.582 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000570463373 478366237 /nfs/dbraw/zinc/36/62/37/478366237.db2.gz ZYUYCEUOYABLKU-NSHDSACASA-N 1 2 337.177 2.858 20 5 EFBDLO CC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594507290 478417293 /nfs/dbraw/zinc/41/72/93/478417293.db2.gz CFTDGGLSWIAQOQ-KGLIPLIRSA-N 1 2 331.376 2.805 20 5 EFBDLO Cc1c([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cccc1[N+](=O)[O-] ZINC000594511404 478419726 /nfs/dbraw/zinc/41/97/26/478419726.db2.gz MWPDAUBFUYXUEB-BXUZGUMPSA-N 1 2 331.376 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000594510126 478420058 /nfs/dbraw/zinc/42/00/58/478420058.db2.gz HNUOCWQLGCYNAP-HUUCEWRRSA-N 1 2 343.387 2.732 20 5 EFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000590967188 478421925 /nfs/dbraw/zinc/42/19/25/478421925.db2.gz FBTIUUGEYSKXAJ-PHIMTYICSA-N 1 2 326.299 2.892 20 5 EFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000590967188 478421931 /nfs/dbraw/zinc/42/19/31/478421931.db2.gz FBTIUUGEYSKXAJ-PHIMTYICSA-N 1 2 326.299 2.892 20 5 EFBDLO Nc1nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c2ccccc12 ZINC000539769631 478431927 /nfs/dbraw/zinc/43/19/27/478431927.db2.gz LTVUSZHDDARWIH-UHFFFAOYSA-N 1 2 343.774 2.680 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591051117 478442435 /nfs/dbraw/zinc/44/24/35/478442435.db2.gz JZVFPBCHZHNVIU-YESZJQIVSA-N 1 2 340.383 2.759 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000591149603 478476347 /nfs/dbraw/zinc/47/63/47/478476347.db2.gz NHGAQCPBJUUVNR-HOTGVXAUSA-N 1 2 329.356 2.527 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220436 478542186 /nfs/dbraw/zinc/54/21/86/478542186.db2.gz UBEUYLVRQYPGHF-WBMJQRKESA-N 1 2 340.387 2.751 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220436 478542189 /nfs/dbraw/zinc/54/21/89/478542189.db2.gz UBEUYLVRQYPGHF-WBMJQRKESA-N 1 2 340.387 2.751 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491480018 478560735 /nfs/dbraw/zinc/56/07/35/478560735.db2.gz UYGAJKOSDCZUCM-RYWCDNDXSA-N 1 2 344.346 2.876 20 5 EFBDLO COC(=O)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000541683326 478578131 /nfs/dbraw/zinc/57/81/31/478578131.db2.gz LYNCUKGTBSRRCK-MRXNPFEDSA-N 1 2 336.388 2.685 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000601039158 478626018 /nfs/dbraw/zinc/62/60/18/478626018.db2.gz DUQZGKACLWLPNR-UHFFFAOYSA-N 1 2 332.335 2.751 20 5 EFBDLO CCOC(=O)Cc1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000591889127 478677362 /nfs/dbraw/zinc/67/73/62/478677362.db2.gz QBPPGBQNBDPDMG-UHFFFAOYSA-N 1 2 344.371 2.619 20 5 EFBDLO Cn1ncc(Br)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601144619 478686026 /nfs/dbraw/zinc/68/60/26/478686026.db2.gz VVZOYZPAEKLNNW-UHFFFAOYSA-N 1 2 343.156 2.520 20 5 EFBDLO CCN1C[C@@H](C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])Oc2ccccc21 ZINC000595290658 478714525 /nfs/dbraw/zinc/71/45/25/478714525.db2.gz YEBONVGOKVIWJS-CYBMUJFWSA-N 1 2 346.387 2.611 20 5 EFBDLO CCN1C[C@@H](C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])Oc2ccccc21 ZINC000595290658 478714536 /nfs/dbraw/zinc/71/45/36/478714536.db2.gz YEBONVGOKVIWJS-CYBMUJFWSA-N 1 2 346.387 2.611 20 5 EFBDLO Cc1noc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595288945 478716025 /nfs/dbraw/zinc/71/60/25/478716025.db2.gz BXSSQGBZUXRKFT-VMPITWQZSA-N 1 2 342.399 2.722 20 5 EFBDLO Cc1csc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595292018 478717289 /nfs/dbraw/zinc/71/72/89/478717289.db2.gz ZGVXVKLMFGRXQX-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595292107 478717926 /nfs/dbraw/zinc/71/79/26/478717926.db2.gz USMXCWSUSCUYHQ-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO C[C@@H]1C[N@@H+](CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000595358828 478745897 /nfs/dbraw/zinc/74/58/97/478745897.db2.gz YOFORBBTGBESLY-GASCZTMLSA-N 1 2 333.432 2.668 20 5 EFBDLO C[C@@H]1C[N@H+](CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000595358828 478745901 /nfs/dbraw/zinc/74/59/01/478745901.db2.gz YOFORBBTGBESLY-GASCZTMLSA-N 1 2 333.432 2.668 20 5 EFBDLO Cc1cnc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC000595370514 478751813 /nfs/dbraw/zinc/75/18/13/478751813.db2.gz HMUQAVNZJPTEDD-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO Cc1noc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c1[N+](=O)[O-] ZINC000595377072 478755108 /nfs/dbraw/zinc/75/51/08/478755108.db2.gz NESVOXFDHJSCEU-CQSZACIVSA-N 1 2 327.344 2.619 20 5 EFBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595392138 478758340 /nfs/dbraw/zinc/75/83/40/478758340.db2.gz KOGFRJVSBRMJFA-HZMBPMFUSA-N 1 2 333.344 2.531 20 5 EFBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000595417712 478768711 /nfs/dbraw/zinc/76/87/11/478768711.db2.gz YNXSJZZQEZPUNG-LBPRGKRZSA-N 1 2 333.344 2.903 20 5 EFBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000595421850 478769412 /nfs/dbraw/zinc/76/94/12/478769412.db2.gz WFXIFKLVEUZLSQ-LBPRGKRZSA-N 1 2 327.287 2.647 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000595419921 478770244 /nfs/dbraw/zinc/77/02/44/478770244.db2.gz APSBXLRNYKZKAG-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856577 478793132 /nfs/dbraw/zinc/79/31/32/478793132.db2.gz INRDDLFSSNRJLL-CQSZACIVSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856577 478793140 /nfs/dbraw/zinc/79/31/40/478793140.db2.gz INRDDLFSSNRJLL-CQSZACIVSA-N 1 2 337.807 2.835 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000595465566 478800516 /nfs/dbraw/zinc/80/05/16/478800516.db2.gz PFRDNMAVLKRANM-SSDOTTSWSA-N 1 2 341.165 2.900 20 5 EFBDLO Cc1noc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595466567 478801064 /nfs/dbraw/zinc/80/10/64/478801064.db2.gz VHFJHHIXMHSERW-UHFFFAOYSA-N 1 2 345.399 2.769 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592161606 478806108 /nfs/dbraw/zinc/80/61/08/478806108.db2.gz RAZUZVTUTADLET-MRXNPFEDSA-N 1 2 334.347 2.956 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492068637 478809287 /nfs/dbraw/zinc/80/92/87/478809287.db2.gz ORDVQQYMXMHGMU-CSPWOOARSA-N 1 2 344.346 2.635 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000572395967 478825251 /nfs/dbraw/zinc/82/52/51/478825251.db2.gz SHIYQSDXESGTRR-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000572395967 478825258 /nfs/dbraw/zinc/82/52/58/478825258.db2.gz SHIYQSDXESGTRR-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1cc(NC[C@H](O)CC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000583345276 478828605 /nfs/dbraw/zinc/82/86/05/478828605.db2.gz WWEKLVYOKWVVTG-OAHLLOKOSA-N 1 2 344.415 2.991 20 5 EFBDLO Cc1noc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595522203 478834708 /nfs/dbraw/zinc/83/47/08/478834708.db2.gz JHYRXJFFFQIRSF-CQSZACIVSA-N 1 2 337.401 2.946 20 5 EFBDLO CCOc1cc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000595526171 478836274 /nfs/dbraw/zinc/83/62/74/478836274.db2.gz KXYCRIVXGNWGQB-UHFFFAOYSA-N 1 2 346.387 2.822 20 5 EFBDLO NC(=O)c1ccc(C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000505614527 478876281 /nfs/dbraw/zinc/87/62/81/478876281.db2.gz YGSLYCGAHBKSQI-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000505614527 478876284 /nfs/dbraw/zinc/87/62/84/478876284.db2.gz YGSLYCGAHBKSQI-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000505603121 478876356 /nfs/dbraw/zinc/87/63/56/478876356.db2.gz BVMPYXCXSYEJPB-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000492323338 478931572 /nfs/dbraw/zinc/93/15/72/478931572.db2.gz VAHXNXIRLLETJZ-KTKRTIGZSA-N 1 2 328.372 2.876 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601664849 478938007 /nfs/dbraw/zinc/93/80/07/478938007.db2.gz RHYUMIXDOOEAJI-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794058 478941142 /nfs/dbraw/zinc/94/11/42/478941142.db2.gz JZSAKVAIUCGZOA-CZUORRHYSA-N 1 2 338.429 2.557 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794058 478941149 /nfs/dbraw/zinc/94/11/49/478941149.db2.gz JZSAKVAIUCGZOA-CZUORRHYSA-N 1 2 338.429 2.557 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794057 478941770 /nfs/dbraw/zinc/94/17/70/478941770.db2.gz JZSAKVAIUCGZOA-CJNGLKHVSA-N 1 2 338.429 2.557 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794057 478941778 /nfs/dbraw/zinc/94/17/78/478941778.db2.gz JZSAKVAIUCGZOA-CJNGLKHVSA-N 1 2 338.429 2.557 20 5 EFBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])n4C)n3)[nH+]c12 ZINC000545679681 478948056 /nfs/dbraw/zinc/94/80/56/478948056.db2.gz PFHWUNKXJNLWSH-UHFFFAOYSA-N 1 2 338.327 2.530 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000492413307 478976460 /nfs/dbraw/zinc/97/64/60/478976460.db2.gz XGZMICGCOIFJOX-CMDGGOBGSA-N 1 2 326.356 2.804 20 5 EFBDLO O=C(C[NH+]1CCC([C@H]2CCCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595790491 479000959 /nfs/dbraw/zinc/00/09/59/479000959.db2.gz WCCVJZJAZOILNC-QGZVFWFLSA-N 1 2 347.415 2.814 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000512687204 479002036 /nfs/dbraw/zinc/00/20/36/479002036.db2.gz ODGFPZGAZULNCD-HZPDHXFCSA-N 1 2 331.416 2.961 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000512687204 479002043 /nfs/dbraw/zinc/00/20/43/479002043.db2.gz ODGFPZGAZULNCD-HZPDHXFCSA-N 1 2 331.416 2.961 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595867055 479041461 /nfs/dbraw/zinc/04/14/61/479041461.db2.gz KDLLPRLTAKTZEE-HNNXBMFYSA-N 1 2 338.310 2.705 20 5 EFBDLO COc1cc(CNc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000565748046 479074288 /nfs/dbraw/zinc/07/42/88/479074288.db2.gz YANAVVBNBCMVTM-UHFFFAOYSA-N 1 2 346.265 2.880 20 5 EFBDLO CNc1ccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc1[N+](=O)[O-] ZINC000547051691 479086116 /nfs/dbraw/zinc/08/61/16/479086116.db2.gz AAHWNPIORLMBAM-UHFFFAOYSA-N 1 2 325.328 2.981 20 5 EFBDLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673937 479117190 /nfs/dbraw/zinc/11/71/90/479117190.db2.gz VRSNVINQFWHWIB-OAHLLOKOSA-N 1 2 344.419 2.761 20 5 EFBDLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673937 479117195 /nfs/dbraw/zinc/11/71/95/479117195.db2.gz VRSNVINQFWHWIB-OAHLLOKOSA-N 1 2 344.419 2.761 20 5 EFBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c[nH+]1 ZINC000596078430 479124600 /nfs/dbraw/zinc/12/46/00/479124600.db2.gz WAZVRYGWNUZNQP-UHFFFAOYSA-N 1 2 329.360 2.679 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000593013459 479124799 /nfs/dbraw/zinc/12/47/99/479124799.db2.gz NUEJLHSSANYKIM-UHFFFAOYSA-N 1 2 342.399 2.781 20 5 EFBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780967 479141252 /nfs/dbraw/zinc/14/12/52/479141252.db2.gz JKKWFDKDBUTOKR-JTQLQIEISA-N 1 2 346.412 2.781 20 5 EFBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780967 479141256 /nfs/dbraw/zinc/14/12/56/479141256.db2.gz JKKWFDKDBUTOKR-JTQLQIEISA-N 1 2 346.412 2.781 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593060089 479150104 /nfs/dbraw/zinc/15/01/04/479150104.db2.gz XRTLOVCZXZXYIS-ZBFHGGJFSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593060089 479150111 /nfs/dbraw/zinc/15/01/11/479150111.db2.gz XRTLOVCZXZXYIS-ZBFHGGJFSA-N 1 2 336.388 2.851 20 5 EFBDLO C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)n1cc[nH+]c1 ZINC000593102363 479176314 /nfs/dbraw/zinc/17/63/14/479176314.db2.gz ZNMWUCZSHQIRGA-ZDUSSCGKSA-N 1 2 328.372 2.934 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000599259629 479223042 /nfs/dbraw/zinc/22/30/42/479223042.db2.gz OXPCAQCTFMLCHG-KRWDZBQOSA-N 1 2 331.416 2.960 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000599259629 479223053 /nfs/dbraw/zinc/22/30/53/479223053.db2.gz OXPCAQCTFMLCHG-KRWDZBQOSA-N 1 2 331.416 2.960 20 5 EFBDLO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C ZINC000611088133 479281393 /nfs/dbraw/zinc/28/13/93/479281393.db2.gz DZAIJVVDWUTWTL-LLVKDONJSA-N 1 2 333.413 2.976 20 5 EFBDLO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C ZINC000611088133 479281401 /nfs/dbraw/zinc/28/14/01/479281401.db2.gz DZAIJVVDWUTWTL-LLVKDONJSA-N 1 2 333.413 2.976 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599422376 479289818 /nfs/dbraw/zinc/28/98/18/479289818.db2.gz OGCOZVUHZQOROX-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596429273 479291426 /nfs/dbraw/zinc/29/14/26/479291426.db2.gz IXPYGURQTPKDAA-OLZOCXBDSA-N 1 2 335.404 2.709 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596429273 479291434 /nfs/dbraw/zinc/29/14/34/479291434.db2.gz IXPYGURQTPKDAA-OLZOCXBDSA-N 1 2 335.404 2.709 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000574460602 479291687 /nfs/dbraw/zinc/29/16/87/479291687.db2.gz ULRLKJVXXDQMQL-UHFFFAOYSA-N 1 2 345.403 2.870 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000574478867 479294742 /nfs/dbraw/zinc/29/47/42/479294742.db2.gz AAIUMCFMQCGAAM-UHFFFAOYSA-N 1 2 335.433 2.503 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000596451397 479300875 /nfs/dbraw/zinc/30/08/75/479300875.db2.gz WIWSGMGBMKBJIU-UHFFFAOYSA-N 1 2 341.371 2.912 20 5 EFBDLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000585716450 479316045 /nfs/dbraw/zinc/31/60/45/479316045.db2.gz LADVYLNHMIPAOY-UHFFFAOYSA-N 1 2 342.302 2.560 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H](CO)C2)cc1Br ZINC000602425549 479324585 /nfs/dbraw/zinc/32/45/85/479324585.db2.gz RCHTYZBFEQFGHN-MRVPVSSYSA-N 1 2 335.223 2.623 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H](CO)C2)cc1Br ZINC000602425549 479324590 /nfs/dbraw/zinc/32/45/90/479324590.db2.gz RCHTYZBFEQFGHN-MRVPVSSYSA-N 1 2 335.223 2.623 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3sccc3C1)OCCO2 ZINC000611253477 479324664 /nfs/dbraw/zinc/32/46/64/479324664.db2.gz NDRVGNXJHJSCKM-UHFFFAOYSA-N 1 2 332.381 2.986 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3sccc3C1)OCCO2 ZINC000611253477 479324669 /nfs/dbraw/zinc/32/46/69/479324669.db2.gz NDRVGNXJHJSCKM-UHFFFAOYSA-N 1 2 332.381 2.986 20 5 EFBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611253263 479325215 /nfs/dbraw/zinc/32/52/15/479325215.db2.gz NRSPUTJLXWXUNH-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611253263 479325222 /nfs/dbraw/zinc/32/52/22/479325222.db2.gz NRSPUTJLXWXUNH-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602433642 479330208 /nfs/dbraw/zinc/33/02/08/479330208.db2.gz NNHZOOILLWGPBJ-KRWDZBQOSA-N 1 2 341.415 2.602 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC000574697046 479332279 /nfs/dbraw/zinc/33/22/79/479332279.db2.gz ICXLLZROAVULLF-SNVBAGLBSA-N 1 2 334.351 2.920 20 5 EFBDLO CCCC[N@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446290 479336220 /nfs/dbraw/zinc/33/62/20/479336220.db2.gz ARECBAJIRGWWRB-UHFFFAOYSA-N 1 2 333.310 2.701 20 5 EFBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446290 479336227 /nfs/dbraw/zinc/33/62/27/479336227.db2.gz ARECBAJIRGWWRB-UHFFFAOYSA-N 1 2 333.310 2.701 20 5 EFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000593442698 479342763 /nfs/dbraw/zinc/34/27/63/479342763.db2.gz YDDKVCZBRRICRR-CYBMUJFWSA-N 1 2 332.335 2.753 20 5 EFBDLO COC[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602469247 479351439 /nfs/dbraw/zinc/35/14/39/479351439.db2.gz SBSGWCILTHTJLN-MRVPVSSYSA-N 1 2 335.223 2.887 20 5 EFBDLO COC[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602469248 479351014 /nfs/dbraw/zinc/35/10/14/479351014.db2.gz SBSGWCILTHTJLN-QMMMGPOBSA-N 1 2 335.223 2.887 20 5 EFBDLO COC[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602469248 479351017 /nfs/dbraw/zinc/35/10/17/479351017.db2.gz SBSGWCILTHTJLN-QMMMGPOBSA-N 1 2 335.223 2.887 20 5 EFBDLO COC[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602469247 479351447 /nfs/dbraw/zinc/35/14/47/479351447.db2.gz SBSGWCILTHTJLN-MRVPVSSYSA-N 1 2 335.223 2.887 20 5 EFBDLO Cc1noc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1[N+](=O)[O-] ZINC000599622645 479356352 /nfs/dbraw/zinc/35/63/52/479356352.db2.gz LTWGKPGAFAMCDR-UHFFFAOYSA-N 1 2 341.371 2.695 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3c(O)cccc3C2)c2c(c1)COCO2 ZINC000599649055 479368046 /nfs/dbraw/zinc/36/80/46/479368046.db2.gz XECZQQPKXANEHW-UHFFFAOYSA-N 1 2 342.351 2.725 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3c(O)cccc3C2)c2c(c1)COCO2 ZINC000599649055 479368053 /nfs/dbraw/zinc/36/80/53/479368053.db2.gz XECZQQPKXANEHW-UHFFFAOYSA-N 1 2 342.351 2.725 20 5 EFBDLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511251 479375460 /nfs/dbraw/zinc/37/54/60/479375460.db2.gz OLWKCGRHQHBELU-LBPRGKRZSA-N 1 2 327.344 2.637 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000593522729 479375873 /nfs/dbraw/zinc/37/58/73/479375873.db2.gz NSWFCTSTCPTHMV-BLLLJJGKSA-N 1 2 346.362 2.583 20 5 EFBDLO C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000593522733 479376600 /nfs/dbraw/zinc/37/66/00/479376600.db2.gz NSWFCTSTCPTHMV-WBMJQRKESA-N 1 2 346.362 2.583 20 5 EFBDLO CC[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000611475642 479388866 /nfs/dbraw/zinc/38/88/66/479388866.db2.gz QWFFLWCZMILEOD-INIZCTEOSA-N 1 2 330.388 2.982 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599688981 479393133 /nfs/dbraw/zinc/39/31/33/479393133.db2.gz HANBIPCSQPYJHG-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599688981 479393135 /nfs/dbraw/zinc/39/31/35/479393135.db2.gz HANBIPCSQPYJHG-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO O=C(C[N@H+]1CC=CCC1)Nc1cc(N2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611517604 479402848 /nfs/dbraw/zinc/40/28/48/479402848.db2.gz WUCIKPCIUGRLBY-UHFFFAOYSA-N 1 2 342.399 2.562 20 5 EFBDLO O=C(C[N@@H+]1CC=CCC1)Nc1cc(N2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611517604 479402850 /nfs/dbraw/zinc/40/28/50/479402850.db2.gz WUCIKPCIUGRLBY-UHFFFAOYSA-N 1 2 342.399 2.562 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602627263 479434304 /nfs/dbraw/zinc/43/43/04/479434304.db2.gz PWDXDKKCUHELMX-MFKMUULPSA-N 1 2 348.321 2.849 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602627263 479434309 /nfs/dbraw/zinc/43/43/09/479434309.db2.gz PWDXDKKCUHELMX-MFKMUULPSA-N 1 2 348.321 2.849 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000618445458 479448723 /nfs/dbraw/zinc/44/87/23/479448723.db2.gz PIYSKPZQZYGTRV-UHFFFAOYSA-N 1 2 325.368 2.649 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909240 479450974 /nfs/dbraw/zinc/45/09/74/479450974.db2.gz MQIBJKOPUSMMQG-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOc2ccccc2C1 ZINC000603909240 479450982 /nfs/dbraw/zinc/45/09/82/479450982.db2.gz MQIBJKOPUSMMQG-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO Cc1ccc2[nH+]c(CNc3ncnc4ccc([N+](=O)[O-])cc43)cn2c1 ZINC000611707974 479452853 /nfs/dbraw/zinc/45/28/53/479452853.db2.gz GPXBCBODDOTTAE-UHFFFAOYSA-N 1 2 334.339 2.528 20 5 EFBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602665080 479458977 /nfs/dbraw/zinc/45/89/77/479458977.db2.gz YYQYIEAVYVDCGS-SNVBAGLBSA-N 1 2 346.227 2.969 20 5 EFBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602665080 479458978 /nfs/dbraw/zinc/45/89/78/479458978.db2.gz YYQYIEAVYVDCGS-SNVBAGLBSA-N 1 2 346.227 2.969 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1CO ZINC000602717323 479501455 /nfs/dbraw/zinc/50/14/55/479501455.db2.gz ZWDBTAMAAPBKPO-BDAKNGLRSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1CO ZINC000602717323 479501459 /nfs/dbraw/zinc/50/14/59/479501459.db2.gz ZWDBTAMAAPBKPO-BDAKNGLRSA-N 1 2 349.250 2.869 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000602762978 479535643 /nfs/dbraw/zinc/53/56/43/479535643.db2.gz INNZONNWBRWWAA-CZUORRHYSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000602762978 479535652 /nfs/dbraw/zinc/53/56/52/479535652.db2.gz INNZONNWBRWWAA-CZUORRHYSA-N 1 2 330.388 2.562 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1[C@H]1CCCO1 ZINC000589520409 479536701 /nfs/dbraw/zinc/53/67/01/479536701.db2.gz HPMGHXHLZKUVMM-PBHICJAKSA-N 1 2 348.399 2.755 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1[C@H]1CCCO1 ZINC000589520409 479536705 /nfs/dbraw/zinc/53/67/05/479536705.db2.gz HPMGHXHLZKUVMM-PBHICJAKSA-N 1 2 348.399 2.755 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1(F)F ZINC000589520565 479537117 /nfs/dbraw/zinc/53/71/17/479537117.db2.gz XLYDXEHUNJKMCA-SNVBAGLBSA-N 1 2 328.315 2.843 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1(F)F ZINC000589520565 479537121 /nfs/dbraw/zinc/53/71/21/479537121.db2.gz XLYDXEHUNJKMCA-SNVBAGLBSA-N 1 2 328.315 2.843 20 5 EFBDLO C[C@H](C[C@@H]1CCOC1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589584757 479541001 /nfs/dbraw/zinc/54/10/01/479541001.db2.gz OGNRCKSVDXCVEW-ZBFHGGJFSA-N 1 2 349.431 2.654 20 5 EFBDLO Cn1c2ccccc2[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618682554 479548465 /nfs/dbraw/zinc/54/84/65/479548465.db2.gz MVOOUWIBWQLVNC-UHFFFAOYSA-N 1 2 326.360 2.520 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026223 479555755 /nfs/dbraw/zinc/55/57/55/479555755.db2.gz GRJJWFBKTBAOQJ-INIZCTEOSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026223 479555758 /nfs/dbraw/zinc/55/57/58/479555758.db2.gz GRJJWFBKTBAOQJ-INIZCTEOSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000602791913 479556956 /nfs/dbraw/zinc/55/69/56/479556956.db2.gz JVSSNYNUESLNKA-UHFFFAOYSA-N 1 2 339.399 2.948 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000602791913 479556963 /nfs/dbraw/zinc/55/69/63/479556963.db2.gz JVSSNYNUESLNKA-UHFFFAOYSA-N 1 2 339.399 2.948 20 5 EFBDLO O=[N+]([O-])c1ncccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000612091020 479578280 /nfs/dbraw/zinc/57/82/80/479578280.db2.gz MHVSGASCNIYRBG-UHFFFAOYSA-N 1 2 349.394 2.992 20 5 EFBDLO C[N@H+](CC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590153214 479610707 /nfs/dbraw/zinc/61/07/07/479610707.db2.gz PCDQCKPDCRZTSB-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590153214 479610710 /nfs/dbraw/zinc/61/07/10/479610710.db2.gz PCDQCKPDCRZTSB-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000590174914 479615032 /nfs/dbraw/zinc/61/50/32/479615032.db2.gz GEEPTZXDSFTCJV-LBPRGKRZSA-N 1 2 341.293 2.652 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000590174914 479615036 /nfs/dbraw/zinc/61/50/36/479615036.db2.gz GEEPTZXDSFTCJV-LBPRGKRZSA-N 1 2 341.293 2.652 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nn1 ZINC000597210896 479622765 /nfs/dbraw/zinc/62/27/65/479622765.db2.gz OGPLGIZXAFPHFD-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nn1 ZINC000597210896 479622770 /nfs/dbraw/zinc/62/27/70/479622770.db2.gz OGPLGIZXAFPHFD-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253670 479645602 /nfs/dbraw/zinc/64/56/02/479645602.db2.gz HFBLRSDAGCAGTE-HYXAFXHYSA-N 1 2 335.314 2.653 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253670 479645607 /nfs/dbraw/zinc/64/56/07/479645607.db2.gz HFBLRSDAGCAGTE-HYXAFXHYSA-N 1 2 335.314 2.653 20 5 EFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000597282794 479655839 /nfs/dbraw/zinc/65/58/39/479655839.db2.gz SGEXGTMFCKMYHM-HZPDHXFCSA-N 1 2 342.399 2.571 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)nc1 ZINC000616152148 479838165 /nfs/dbraw/zinc/83/81/65/479838165.db2.gz YPZMWZGUQJTKIK-UHFFFAOYSA-N 1 2 329.356 2.797 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)nc1 ZINC000616152148 479838172 /nfs/dbraw/zinc/83/81/72/479838172.db2.gz YPZMWZGUQJTKIK-UHFFFAOYSA-N 1 2 329.356 2.797 20 5 EFBDLO Cc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(C2CC2)[nH+]1 ZINC000609494912 480167685 /nfs/dbraw/zinc/16/76/85/480167685.db2.gz HZKCSNYNRGOFCJ-UHFFFAOYSA-N 1 2 339.399 2.897 20 5 EFBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609616127 480186814 /nfs/dbraw/zinc/18/68/14/480186814.db2.gz PVSCQAXHLDIIKK-SECBINFHSA-N 1 2 333.344 2.917 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222638 480232418 /nfs/dbraw/zinc/23/24/18/480232418.db2.gz QOJJLCRHTKODNT-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222638 480232422 /nfs/dbraw/zinc/23/24/22/480232422.db2.gz QOJJLCRHTKODNT-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064013 480234523 /nfs/dbraw/zinc/23/45/23/480234523.db2.gz QLSCTVGJNZBYHW-INIZCTEOSA-N 1 2 342.399 2.933 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000610310357 480276137 /nfs/dbraw/zinc/27/61/37/480276137.db2.gz WKRNFIDDMCDNBM-UHFFFAOYSA-N 1 2 342.359 2.718 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2n1C ZINC000610310669 480276358 /nfs/dbraw/zinc/27/63/58/480276358.db2.gz ZJSUIDMVNXEQRL-UHFFFAOYSA-N 1 2 343.318 2.764 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610368794 480291997 /nfs/dbraw/zinc/29/19/97/480291997.db2.gz QPSJLCMUDPIKAS-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610368794 480292001 /nfs/dbraw/zinc/29/20/01/480292001.db2.gz QPSJLCMUDPIKAS-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1noc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000610370991 480293100 /nfs/dbraw/zinc/29/31/00/480293100.db2.gz LAECFNBYMDNDSF-LLVKDONJSA-N 1 2 332.360 2.891 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926931 500843666 /nfs/dbraw/zinc/84/36/66/500843666.db2.gz GFZKXKIEPTWOSH-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926931 500843672 /nfs/dbraw/zinc/84/36/72/500843672.db2.gz GFZKXKIEPTWOSH-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000076465469 521813333 /nfs/dbraw/zinc/81/33/33/521813333.db2.gz XVPCWZNQBHSVDC-UHFFFAOYSA-N 1 2 329.356 2.657 20 5 EFBDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606233 522209166 /nfs/dbraw/zinc/20/91/66/522209166.db2.gz RVPNJCCWLDDSQV-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606233 522209172 /nfs/dbraw/zinc/20/91/72/522209172.db2.gz RVPNJCCWLDDSQV-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO Cc1cccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000119200200 524174913 /nfs/dbraw/zinc/17/49/13/524174913.db2.gz INKICNYZUIXMHG-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000192586468 524905043 /nfs/dbraw/zinc/90/50/43/524905043.db2.gz CFHPCVHHFFXGPW-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000066434537 525135712 /nfs/dbraw/zinc/13/57/12/525135712.db2.gz ABSNKZJURWSMFJ-UHFFFAOYSA-N 1 2 332.360 2.740 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000066434537 525135719 /nfs/dbraw/zinc/13/57/19/525135719.db2.gz ABSNKZJURWSMFJ-UHFFFAOYSA-N 1 2 332.360 2.740 20 5 EFBDLO Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178154910 525165929 /nfs/dbraw/zinc/16/59/29/525165929.db2.gz FOAJNZBRKBSUAK-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C[NH+](C)C)c1 ZINC000073129350 525240816 /nfs/dbraw/zinc/24/08/16/525240816.db2.gz WUUMEXFITLWZPV-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)sn1 ZINC000176840742 525244537 /nfs/dbraw/zinc/24/45/37/525244537.db2.gz IJXCJKSTQYCKGU-UHFFFAOYSA-N 1 2 329.341 2.798 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178154223 525468787 /nfs/dbraw/zinc/46/87/87/525468787.db2.gz PRCNDSXTKWGINF-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccn1 ZINC000181777375 525486120 /nfs/dbraw/zinc/48/61/20/525486120.db2.gz VKPUILMLESIMDI-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000181304219 525496247 /nfs/dbraw/zinc/49/62/47/525496247.db2.gz HDLRJMHQXHLXQW-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO Cc1ccnc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000120896713 525671302 /nfs/dbraw/zinc/67/13/02/525671302.db2.gz OHOLFEKSNYBJQE-UHFFFAOYSA-N 1 2 326.400 2.929 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121022630 526602503 /nfs/dbraw/zinc/60/25/03/526602503.db2.gz ORRLSNBPHKGLOT-KRWDZBQOSA-N 1 2 341.367 2.602 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000118942075 527050104 /nfs/dbraw/zinc/05/01/04/527050104.db2.gz NCHOJUNHSWSTOY-NSHDSACASA-N 1 2 346.774 2.652 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000117775325 527245883 /nfs/dbraw/zinc/24/58/83/527245883.db2.gz VZOMAVMIIDFOKK-UHFFFAOYSA-N 1 2 348.790 2.851 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cn2ccccc2[nH+]1 ZINC000117744700 527247097 /nfs/dbraw/zinc/24/70/97/527247097.db2.gz UHQCMLJEIZZBNZ-UHFFFAOYSA-N 1 2 344.758 2.755 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135561106 527332398 /nfs/dbraw/zinc/33/23/98/527332398.db2.gz CXYOTMQIPADRMJ-JSGCOSHPSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135561106 527332401 /nfs/dbraw/zinc/33/24/01/527332401.db2.gz CXYOTMQIPADRMJ-JSGCOSHPSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000178189711 527377528 /nfs/dbraw/zinc/37/75/28/527377528.db2.gz QSPMAONWWNWKHJ-UHFFFAOYSA-N 1 2 344.352 2.786 20 5 EFBDLO CC(C)c1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000189878271 528071579 /nfs/dbraw/zinc/07/15/79/528071579.db2.gz MWFVJFMPQPWTOR-CYBMUJFWSA-N 1 2 330.388 2.981 20 5 EFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000183849016 528597157 /nfs/dbraw/zinc/59/71/57/528597157.db2.gz JEDBIFQKWLJNIQ-GFCCVEGCSA-N 1 2 345.403 2.772 20 5 EFBDLO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000184319099 529122507 /nfs/dbraw/zinc/12/25/07/529122507.db2.gz GWILRKWGGVBRJU-GJZGRUSLSA-N 1 2 338.404 2.584 20 5 EFBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000174763328 529281718 /nfs/dbraw/zinc/28/17/18/529281718.db2.gz RDXSYYDOYAPFFR-ZDUSSCGKSA-N 1 2 346.412 2.748 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364449964 535093786 /nfs/dbraw/zinc/09/37/86/535093786.db2.gz LCMLMLOOKLDYDG-HNNXBMFYSA-N 1 2 342.399 2.791 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000360198751 535371238 /nfs/dbraw/zinc/37/12/38/535371238.db2.gz MVPKWHBWDYTAFZ-AWEZNQCLSA-N 1 2 340.445 2.727 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000360198751 535371240 /nfs/dbraw/zinc/37/12/40/535371240.db2.gz MVPKWHBWDYTAFZ-AWEZNQCLSA-N 1 2 340.445 2.727 20 5 EFBDLO CCn1ncnc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355586706 535904261 /nfs/dbraw/zinc/90/42/61/535904261.db2.gz VBJPNIJQWXWHHA-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO CCn1ncnc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000355588707 535904373 /nfs/dbraw/zinc/90/43/73/535904373.db2.gz XSDSEZMCMXFWBY-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412689645 546177314 /nfs/dbraw/zinc/17/73/14/546177314.db2.gz IUGFNTXWVGSTQB-CHWSQXEVSA-N 1 2 332.335 2.791 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755224721 575562597 /nfs/dbraw/zinc/56/25/97/575562597.db2.gz YOFSQSFFZJICNZ-INIZCTEOSA-N 1 2 344.415 2.955 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000755672180 575616518 /nfs/dbraw/zinc/61/65/18/575616518.db2.gz FZMGHZFJHGHNSP-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000756812950 575789201 /nfs/dbraw/zinc/78/92/01/575789201.db2.gz SILCZUZHFCQBEO-OAHLLOKOSA-N 1 2 346.387 2.645 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c1 ZINC000757716058 575851530 /nfs/dbraw/zinc/85/15/30/575851530.db2.gz FTVQEGZPFSUPNU-UHFFFAOYSA-N 1 2 338.266 2.942 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000757924961 575855850 /nfs/dbraw/zinc/85/58/50/575855850.db2.gz RCDGFYSNJGEBDK-UHFFFAOYSA-N 1 2 345.237 2.881 20 5 EFBDLO C[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1(C)C ZINC000758998354 575882283 /nfs/dbraw/zinc/88/22/83/575882283.db2.gz BNQBNLYOPVRYDW-NSHDSACASA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1(C)C ZINC000758998354 575882284 /nfs/dbraw/zinc/88/22/84/575882284.db2.gz BNQBNLYOPVRYDW-NSHDSACASA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1(C)C ZINC000758999822 575882363 /nfs/dbraw/zinc/88/23/63/575882363.db2.gz KNVQPDJBWDQRPD-GFCCVEGCSA-N 1 2 346.387 2.737 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1(C)C ZINC000758999822 575882364 /nfs/dbraw/zinc/88/23/64/575882364.db2.gz KNVQPDJBWDQRPD-GFCCVEGCSA-N 1 2 346.387 2.737 20 5 EFBDLO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760853447 576081211 /nfs/dbraw/zinc/08/12/11/576081211.db2.gz LKTNVUYEXVFEIC-NSHDSACASA-N 1 2 346.836 2.505 20 5 EFBDLO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760853447 576081214 /nfs/dbraw/zinc/08/12/14/576081214.db2.gz LKTNVUYEXVFEIC-NSHDSACASA-N 1 2 346.836 2.505 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761046644 576104498 /nfs/dbraw/zinc/10/44/98/576104498.db2.gz UALQBTLAMNMWAN-VHSXEESVSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761046644 576104499 /nfs/dbraw/zinc/10/44/99/576104499.db2.gz UALQBTLAMNMWAN-VHSXEESVSA-N 1 2 331.294 2.806 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048502 576104587 /nfs/dbraw/zinc/10/45/87/576104587.db2.gz FJFCHMNEKQVWHA-SNVBAGLBSA-N 1 2 331.294 2.726 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048502 576104588 /nfs/dbraw/zinc/10/45/88/576104588.db2.gz FJFCHMNEKQVWHA-SNVBAGLBSA-N 1 2 331.294 2.726 20 5 EFBDLO CN(C)C(=O)N1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000761226928 576133112 /nfs/dbraw/zinc/13/31/12/576133112.db2.gz XHLKLLRLHUQLPY-CLFYSBASSA-N 1 2 346.431 2.686 20 5 EFBDLO CN(C)C(=O)N1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000761226928 576133116 /nfs/dbraw/zinc/13/31/16/576133116.db2.gz XHLKLLRLHUQLPY-CLFYSBASSA-N 1 2 346.431 2.686 20 5 EFBDLO COCCCCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000761881588 576224618 /nfs/dbraw/zinc/22/46/18/576224618.db2.gz VCTOSSRHHQLFKJ-UHFFFAOYSA-N 1 2 343.343 2.800 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000762055400 576250416 /nfs/dbraw/zinc/25/04/16/576250416.db2.gz XAUIVQVFLICVQJ-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[C@@]1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCO1 ZINC000763318888 576372390 /nfs/dbraw/zinc/37/23/90/576372390.db2.gz FUYPGANEAHRWFK-INIZCTEOSA-N 1 2 341.327 2.856 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000763462620 576378422 /nfs/dbraw/zinc/37/84/22/576378422.db2.gz 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O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768710597 577296394 /nfs/dbraw/zinc/29/63/94/577296394.db2.gz XCWRDJOAGKEDLD-UHFFFAOYSA-N 1 2 345.786 2.994 20 5 EFBDLO CO[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768754895 577298932 /nfs/dbraw/zinc/29/89/32/577298932.db2.gz SOJKTJDCKGXMTA-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768754895 577298933 /nfs/dbraw/zinc/29/89/33/577298933.db2.gz SOJKTJDCKGXMTA-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[NH+]1CCC2(CCCC2)CC1 ZINC000738282770 577372798 /nfs/dbraw/zinc/37/27/98/577372798.db2.gz KAKYPOBHNBLMBN-UHFFFAOYSA-N 1 2 343.383 2.805 20 5 EFBDLO COc1cc(C(=O)OCc2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000770924563 581151671 /nfs/dbraw/zinc/15/16/71/581151671.db2.gz HZBDKQXNKLEAPC-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000771937410 581261943 /nfs/dbraw/zinc/26/19/43/581261943.db2.gz NIFDRBCAOTZXTC-UHFFFAOYSA-N 1 2 344.352 2.772 20 5 EFBDLO C[C@H]1CSCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638494 581496052 /nfs/dbraw/zinc/49/60/52/581496052.db2.gz RQHXQUCLXHCMJB-VIFPVBQESA-N 1 2 326.809 2.993 20 5 EFBDLO C[C@H]1CSCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638494 581496053 /nfs/dbraw/zinc/49/60/53/581496053.db2.gz RQHXQUCLXHCMJB-VIFPVBQESA-N 1 2 326.809 2.993 20 5 EFBDLO CCC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774639329 581496121 /nfs/dbraw/zinc/49/61/21/581496121.db2.gz VFLIKLQBHXNNEA-UHFFFAOYSA-N 1 2 338.795 2.792 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733867985 1265451393 /nfs/dbraw/zinc/45/13/93/1265451393.db2.gz JYVWLCOYFMBBGW-UHFFFAOYSA-N 1 2 349.412 2.766 20 5 EFBDLO CC(C)(C)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001004020661 1265767088 /nfs/dbraw/zinc/76/70/88/1265767088.db2.gz HXXKJJYKAOHTHJ-UHFFFAOYSA-N 1 2 325.434 2.783 20 5 EFBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1(C2CC2)CC1 ZINC001003100968 1264595226 /nfs/dbraw/zinc/59/52/26/1264595226.db2.gz ANCDXXQEOZGIOP-UHFFFAOYSA-N 1 2 349.456 2.927 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000421897416 1264604803 /nfs/dbraw/zinc/60/48/03/1264604803.db2.gz RDDPXNZHTPSYNM-CQSZACIVSA-N 1 2 342.399 2.965 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000843827793 1265062290 /nfs/dbraw/zinc/06/22/90/1265062290.db2.gz XMNJGHTUWHBHMG-ABAIWWIYSA-N 1 2 346.362 2.962 20 5 EFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC000792055647 1278520529 /nfs/dbraw/zinc/52/05/29/1278520529.db2.gz VDARLTYPHFWTTD-UHFFFAOYSA-N 1 2 341.245 2.948 20 5 EFBDLO O=C(OC[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000745957184 1271698905 /nfs/dbraw/zinc/69/89/05/1271698905.db2.gz FXHHIFACLPRLBW-GFCCVEGCSA-N 1 2 333.369 2.833 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001169132316 1272690863 /nfs/dbraw/zinc/69/08/63/1272690863.db2.gz KCVSOYILUKGLEK-WBVHZDCISA-N 1 2 341.367 2.577 20 5 EFBDLO O=C(CC1CC1)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035636785 1274294130 /nfs/dbraw/zinc/29/41/30/1274294130.db2.gz KSSLYBCZUABFPJ-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO Cc1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000785677989 1275142989 /nfs/dbraw/zinc/14/29/89/1275142989.db2.gz OOEPATMFGCZMJG-UHFFFAOYSA-N 1 2 344.352 2.902 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000786582836 1275435895 /nfs/dbraw/zinc/43/58/95/1275435895.db2.gz YPVARWJUJAVJTO-QGZVFWFLSA-N 1 2 335.404 2.566 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000787406561 1275778077 /nfs/dbraw/zinc/77/80/77/1275778077.db2.gz QEZSLWNBQMBFPP-JLHYYAGUSA-N 1 2 338.429 2.507 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000787406561 1275778079 /nfs/dbraw/zinc/77/80/79/1275778079.db2.gz QEZSLWNBQMBFPP-JLHYYAGUSA-N 1 2 338.429 2.507 20 5 EFBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170297789 1278980393 /nfs/dbraw/zinc/98/03/93/1278980393.db2.gz SCVRWLOBWCCWEW-XHDPSFHLSA-N 1 2 338.404 2.712 20 5 EFBDLO CCC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OCC ZINC001170305621 1278991845 /nfs/dbraw/zinc/99/18/45/1278991845.db2.gz OFFCTIFBGULBSK-DOMZBBRYSA-N 1 2 338.404 2.856 20 5 EFBDLO CCCC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170312643 1279008569 /nfs/dbraw/zinc/00/85/69/1279008569.db2.gz GOLDJXMAYKBPEY-IUODEOHRSA-N 1 2 338.404 2.856 20 5 EFBDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788693120 1276261986 /nfs/dbraw/zinc/26/19/86/1276261986.db2.gz UXHSORSSZDWWBE-GFCCVEGCSA-N 1 2 343.387 2.582 20 5 EFBDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788796497 1276315041 /nfs/dbraw/zinc/31/50/41/1276315041.db2.gz SDCUCMJSCIWIBK-GFCCVEGCSA-N 1 2 338.371 2.609 20 5 EFBDLO CC(C)COC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789575552 1276822257 /nfs/dbraw/zinc/82/22/57/1276822257.db2.gz BPVQRYWJSOHRIC-AWEZNQCLSA-N 1 2 349.431 2.741 20 5 EFBDLO Cc1nn(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000790412081 1277522282 /nfs/dbraw/zinc/52/22/82/1277522282.db2.gz GOKKNMZSUGCAID-INIZCTEOSA-N 1 2 332.404 2.957 20 5 EFBDLO Cc1nn(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000790412081 1277522289 /nfs/dbraw/zinc/52/22/89/1277522289.db2.gz GOKKNMZSUGCAID-INIZCTEOSA-N 1 2 332.404 2.957 20 5 EFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000791311034 1278044515 /nfs/dbraw/zinc/04/45/15/1278044515.db2.gz MVIGXYXAPKWMDI-UHFFFAOYSA-N 1 2 340.339 2.784 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000844723637 1279201266 /nfs/dbraw/zinc/20/12/66/1279201266.db2.gz WDBAGTYAWUXFSD-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000844723637 1279201273 /nfs/dbraw/zinc/20/12/73/1279201273.db2.gz WDBAGTYAWUXFSD-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO C[C@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845282231 1279530935 /nfs/dbraw/zinc/53/09/35/1279530935.db2.gz QQRYOGGUZBNKFY-CYBMUJFWSA-N 1 2 333.344 2.755 20 5 EFBDLO C[C@@H](CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC000845284202 1279534568 /nfs/dbraw/zinc/53/45/68/1279534568.db2.gz LXUCNRUYBWZNPP-VIFPVBQESA-N 1 2 325.271 2.764 20 5 EFBDLO C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000846059293 1279989869 /nfs/dbraw/zinc/98/98/69/1279989869.db2.gz AKIFQINIHIJSCK-JTQLQIEISA-N 1 2 335.385 2.948 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805826216 1280804417 /nfs/dbraw/zinc/80/44/17/1280804417.db2.gz SKYJORFTHRUOTC-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805826216 1280804432 /nfs/dbraw/zinc/80/44/32/1280804432.db2.gz SKYJORFTHRUOTC-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO COC[C@@]1(C)CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000747454306 1281542130 /nfs/dbraw/zinc/54/21/30/1281542130.db2.gz MTTRKENNVVWXOJ-SFHVURJKSA-N 1 2 349.431 2.648 20 5 EFBDLO COC[C@@]1(C)CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000747454306 1281542138 /nfs/dbraw/zinc/54/21/38/1281542138.db2.gz MTTRKENNVVWXOJ-SFHVURJKSA-N 1 2 349.431 2.648 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000747529676 1281910540 /nfs/dbraw/zinc/91/05/40/1281910540.db2.gz MQEOYCFZEMZUAS-HNNXBMFYSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000747529676 1281910543 /nfs/dbraw/zinc/91/05/43/1281910543.db2.gz MQEOYCFZEMZUAS-HNNXBMFYSA-N 1 2 335.379 2.711 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000809566016 1282283691 /nfs/dbraw/zinc/28/36/91/1282283691.db2.gz TZHKZIZIGLBFDI-UHFFFAOYSA-N 1 2 326.356 2.643 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000809566016 1282283699 /nfs/dbraw/zinc/28/36/99/1282283699.db2.gz TZHKZIZIGLBFDI-UHFFFAOYSA-N 1 2 326.356 2.643 20 5 EFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000809753016 1282456304 /nfs/dbraw/zinc/45/63/04/1282456304.db2.gz YXDOWEGYWVMGHM-CYBMUJFWSA-N 1 2 329.194 2.560 20 5 EFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000809753016 1282456313 /nfs/dbraw/zinc/45/63/13/1282456313.db2.gz YXDOWEGYWVMGHM-CYBMUJFWSA-N 1 2 329.194 2.560 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809915528 1282564102 /nfs/dbraw/zinc/56/41/02/1282564102.db2.gz PWKIYGPFPZXPLQ-SECBINFHSA-N 1 2 335.751 2.581 20 5 EFBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001175899636 1287602241 /nfs/dbraw/zinc/60/22/41/1287602241.db2.gz ZKIKVLIRWZCEBT-BQYQJAHWSA-N 1 2 326.356 2.909 20 5 EFBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001175898580 1287602538 /nfs/dbraw/zinc/60/25/38/1287602538.db2.gz BMOQQRPPIXVWCK-VQHVLOKHSA-N 1 2 326.356 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2c1 ZINC000811801846 1284632515 /nfs/dbraw/zinc/63/25/15/1284632515.db2.gz OHDOWXYSGRTBBU-CQSZACIVSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2c1 ZINC000811801846 1284632533 /nfs/dbraw/zinc/63/25/33/1284632533.db2.gz OHDOWXYSGRTBBU-CQSZACIVSA-N 1 2 346.778 2.699 20 5 EFBDLO Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813170825 1285702303 /nfs/dbraw/zinc/70/23/03/1285702303.db2.gz YMORRXAJRJXDDS-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813170825 1285702310 /nfs/dbraw/zinc/70/23/10/1285702310.db2.gz YMORRXAJRJXDDS-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO CO[C@@](C)(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000813192522 1285722533 /nfs/dbraw/zinc/72/25/33/1285722533.db2.gz BDWRJDHXYLFXDI-KRWDZBQOSA-N 1 2 345.355 2.752 20 5 EFBDLO Cn1c[nH+]cc1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813256526 1285766396 /nfs/dbraw/zinc/76/63/96/1285766396.db2.gz GVSWNNPXJXYAPR-UHFFFAOYSA-N 1 2 329.143 2.565 20 5 EFBDLO O=C(NCCCNc1ccccc1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001094873042 1286010144 /nfs/dbraw/zinc/01/01/44/1286010144.db2.gz LJBYJANOWCSZEP-UHFFFAOYSA-N 1 2 339.355 2.703 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](CO)CC(F)(F)C1)CC2 ZINC001172905043 1286308439 /nfs/dbraw/zinc/30/84/39/1286308439.db2.gz QHNBIFQWGOHKDY-WFASDCNBSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H](CO)CC(F)(F)C1)CC2 ZINC001172905043 1286308448 /nfs/dbraw/zinc/30/84/48/1286308448.db2.gz QHNBIFQWGOHKDY-WFASDCNBSA-N 1 2 340.370 2.792 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ncccn2)c1F ZINC001173180442 1286455255 /nfs/dbraw/zinc/45/52/55/1286455255.db2.gz KLQKPBHONIDLII-NSHDSACASA-N 1 2 334.351 2.596 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ncccn2)c1F ZINC001173180442 1286455260 /nfs/dbraw/zinc/45/52/60/1286455260.db2.gz KLQKPBHONIDLII-NSHDSACASA-N 1 2 334.351 2.596 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC(=O)[C@@H](C)C2)c1F ZINC001173183159 1286456615 /nfs/dbraw/zinc/45/66/15/1286456615.db2.gz WWRLCKNPDBWAFH-RYUDHWBXSA-N 1 2 338.379 2.975 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC(=O)[C@@H](C)C2)c1F ZINC001173183159 1286456620 /nfs/dbraw/zinc/45/66/20/1286456620.db2.gz WWRLCKNPDBWAFH-RYUDHWBXSA-N 1 2 338.379 2.975 20 5 EFBDLO CCOC(=O)C[N@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191673 1286458006 /nfs/dbraw/zinc/45/80/06/1286458006.db2.gz FTRJUFDSYZRZGI-NSHDSACASA-N 1 2 342.367 2.559 20 5 EFBDLO CCOC(=O)C[N@@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191673 1286458012 /nfs/dbraw/zinc/45/80/12/1286458012.db2.gz FTRJUFDSYZRZGI-NSHDSACASA-N 1 2 342.367 2.559 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@H]2C2CC2)c1F ZINC001173194002 1286458739 /nfs/dbraw/zinc/45/87/39/1286458739.db2.gz WGMOOKKQASRKII-ABAIWWIYSA-N 1 2 338.379 2.784 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@H]2C2CC2)c1F ZINC001173194002 1286458744 /nfs/dbraw/zinc/45/87/44/1286458744.db2.gz WGMOOKKQASRKII-ABAIWWIYSA-N 1 2 338.379 2.784 20 5 EFBDLO CC(C)c1nnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228866 1286481947 /nfs/dbraw/zinc/48/19/47/1286481947.db2.gz ZLMPVMCLMBVXAR-ZDUSSCGKSA-N 1 2 329.404 2.757 20 5 EFBDLO CC(C)c1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228866 1286481953 /nfs/dbraw/zinc/48/19/53/1286481953.db2.gz ZLMPVMCLMBVXAR-ZDUSSCGKSA-N 1 2 329.404 2.757 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001173234542 1286484384 /nfs/dbraw/zinc/48/43/84/1286484384.db2.gz RXMYSUWIHKBQDZ-CYBMUJFWSA-N 1 2 339.386 2.941 20 5 EFBDLO O=C(OCCCc1cnoc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816231645 1288029006 /nfs/dbraw/zinc/02/90/06/1288029006.db2.gz MHKOVSBWGSHBHQ-UHFFFAOYSA-N 1 2 342.311 2.558 20 5 EFBDLO CO[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000816356040 1288076193 /nfs/dbraw/zinc/07/61/93/1288076193.db2.gz WGKDQEXHDCUXGH-OAHLLOKOSA-N 1 2 333.344 2.608 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000816912427 1288327445 /nfs/dbraw/zinc/32/74/45/1288327445.db2.gz XBLRVFVAGLUVTP-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000817456347 1288602057 /nfs/dbraw/zinc/60/20/57/1288602057.db2.gz AEHONGVLBKVNCB-UHFFFAOYSA-N 1 2 344.327 2.753 20 5 EFBDLO COC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000852769009 1299878696 /nfs/dbraw/zinc/87/86/96/1299878696.db2.gz MNSCCLBWQYETMR-UHFFFAOYSA-N 1 2 327.768 2.569 20 5 EFBDLO CC(C)n1cncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000822438755 1288987372 /nfs/dbraw/zinc/98/73/72/1288987372.db2.gz SAFQMTOIFHWCTF-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO Cc1c(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000823401811 1289292671 /nfs/dbraw/zinc/29/26/71/1289292671.db2.gz KDNFYYVQPRIBJZ-NSHDSACASA-N 1 2 348.359 2.685 20 5 EFBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000872773834 1289372470 /nfs/dbraw/zinc/37/24/70/1289372470.db2.gz WXWGPQRYLMEWCM-SNVBAGLBSA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000872773834 1289372479 /nfs/dbraw/zinc/37/24/79/1289372479.db2.gz WXWGPQRYLMEWCM-SNVBAGLBSA-N 1 2 348.325 2.531 20 5 EFBDLO Nc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000823997641 1289510308 /nfs/dbraw/zinc/51/03/08/1289510308.db2.gz GDHFPOGCSISOTP-UHFFFAOYSA-N 1 2 344.375 2.586 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000795644694 1290794575 /nfs/dbraw/zinc/79/45/75/1290794575.db2.gz OGEZNTHQKNYQCZ-DOTOQJQBSA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000795644694 1290794580 /nfs/dbraw/zinc/79/45/80/1290794580.db2.gz OGEZNTHQKNYQCZ-DOTOQJQBSA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000795644696 1290794904 /nfs/dbraw/zinc/79/49/04/1290794904.db2.gz OGEZNTHQKNYQCZ-NVXWUHKLSA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000795644696 1290794905 /nfs/dbraw/zinc/79/49/05/1290794905.db2.gz OGEZNTHQKNYQCZ-NVXWUHKLSA-N 1 2 331.416 2.818 20 5 EFBDLO CC(C)c1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000093707871 1291196976 /nfs/dbraw/zinc/19/69/76/1291196976.db2.gz LQGHMPWEQFHSQV-UHFFFAOYSA-N 1 2 342.461 2.973 20 5 EFBDLO CC(C)c1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000093707871 1291196979 /nfs/dbraw/zinc/19/69/79/1291196979.db2.gz LQGHMPWEQFHSQV-UHFFFAOYSA-N 1 2 342.461 2.973 20 5 EFBDLO Cc1c(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773819 1291368778 /nfs/dbraw/zinc/36/87/78/1291368778.db2.gz YZNYZMXJWZAVOC-AWEZNQCLSA-N 1 2 345.321 2.546 20 5 EFBDLO Cc1c(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773819 1291368796 /nfs/dbraw/zinc/36/87/96/1291368796.db2.gz YZNYZMXJWZAVOC-AWEZNQCLSA-N 1 2 345.321 2.546 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000878096489 1291492597 /nfs/dbraw/zinc/49/25/97/1291492597.db2.gz RZDSZMQGKYFZSN-GLJUWKHASA-N 1 2 344.415 2.950 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000878096489 1291492599 /nfs/dbraw/zinc/49/25/99/1291492599.db2.gz RZDSZMQGKYFZSN-GLJUWKHASA-N 1 2 344.415 2.950 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CF)C1 ZINC000880293540 1292439886 /nfs/dbraw/zinc/43/98/86/1292439886.db2.gz ANFFEHQPYZBITB-VHSXEESVSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CF)C1 ZINC000880293540 1292439888 /nfs/dbraw/zinc/43/98/88/1292439888.db2.gz ANFFEHQPYZBITB-VHSXEESVSA-N 1 2 329.759 2.867 20 5 EFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cscc1Br ZINC000880359143 1292466470 /nfs/dbraw/zinc/46/64/70/1292466470.db2.gz DJIBIGNFYIMEGH-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cscc1Br ZINC000880359143 1292466475 /nfs/dbraw/zinc/46/64/75/1292466475.db2.gz DJIBIGNFYIMEGH-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](CF)C1 ZINC000881603579 1292944826 /nfs/dbraw/zinc/94/48/26/1292944826.db2.gz VCEOZVCRKFEXML-GFCCVEGCSA-N 1 2 332.335 2.602 20 5 EFBDLO C[C@@H](Oc1ccnc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233857688 1313006080 /nfs/dbraw/zinc/00/60/80/1313006080.db2.gz OVLRWSSSDNGQCO-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ccnc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233857688 1313006085 /nfs/dbraw/zinc/00/60/85/1313006085.db2.gz OVLRWSSSDNGQCO-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@](O)(C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000886138938 1294723193 /nfs/dbraw/zinc/72/31/93/1294723193.db2.gz YNYQDLCVXYCEJA-ZDUSSCGKSA-N 1 2 333.310 2.515 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000886204399 1294760928 /nfs/dbraw/zinc/76/09/28/1294760928.db2.gz DMBKRKIIEOLWLQ-DZGCQCFKSA-N 1 2 345.424 2.991 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000886204399 1294760936 /nfs/dbraw/zinc/76/09/36/1294760936.db2.gz DMBKRKIIEOLWLQ-DZGCQCFKSA-N 1 2 345.424 2.991 20 5 EFBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067919 1297227850 /nfs/dbraw/zinc/22/78/50/1297227850.db2.gz PPXSXJYBJNTLHW-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067919 1297227860 /nfs/dbraw/zinc/22/78/60/1297227860.db2.gz PPXSXJYBJNTLHW-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1nc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000776587849 1299644713 /nfs/dbraw/zinc/64/47/13/1299644713.db2.gz PPCZLZRDGXLRJQ-OAHLLOKOSA-N 1 2 346.387 2.769 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000776587490 1299664614 /nfs/dbraw/zinc/66/46/14/1299664614.db2.gz IKCAJROBFOADIM-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000776587490 1299664619 /nfs/dbraw/zinc/66/46/19/1299664619.db2.gz IKCAJROBFOADIM-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000852498432 1299727163 /nfs/dbraw/zinc/72/71/63/1299727163.db2.gz HSOAILUYLKYFSU-NSHDSACASA-N 1 2 335.187 2.749 20 5 EFBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000852498432 1299727168 /nfs/dbraw/zinc/72/71/68/1299727168.db2.gz HSOAILUYLKYFSU-NSHDSACASA-N 1 2 335.187 2.749 20 5 EFBDLO O=C1OCCN1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000852723660 1299834120 /nfs/dbraw/zinc/83/41/20/1299834120.db2.gz ZOVDZBKIPMCRLX-UHFFFAOYSA-N 1 2 339.779 2.665 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000853413544 1300109941 /nfs/dbraw/zinc/10/99/41/1300109941.db2.gz ZMKCFLHSBDQTCW-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000853413544 1300109943 /nfs/dbraw/zinc/10/99/43/1300109943.db2.gz ZMKCFLHSBDQTCW-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497006 1300136487 /nfs/dbraw/zinc/13/64/87/1300136487.db2.gz NUUDJEQUXWJWKP-NEPJUHHUSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497006 1300136494 /nfs/dbraw/zinc/13/64/94/1300136494.db2.gz NUUDJEQUXWJWKP-NEPJUHHUSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@H]1SCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853497007 1300137178 /nfs/dbraw/zinc/13/71/78/1300137178.db2.gz NUUDJEQUXWJWKP-NWDGAFQWSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@H]1SCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]1C ZINC000853497007 1300137186 /nfs/dbraw/zinc/13/71/86/1300137186.db2.gz NUUDJEQUXWJWKP-NWDGAFQWSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853616375 1300195251 /nfs/dbraw/zinc/19/52/51/1300195251.db2.gz VDEQEYHANUIAKI-WCQYABFASA-N 1 2 341.358 2.832 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245911917 1300815966 /nfs/dbraw/zinc/81/59/66/1300815966.db2.gz WYMOFWDTVPJIGG-IUODEOHRSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245911917 1300815981 /nfs/dbraw/zinc/81/59/81/1300815981.db2.gz WYMOFWDTVPJIGG-IUODEOHRSA-N 1 2 349.412 2.820 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860176869 1301732053 /nfs/dbraw/zinc/73/20/53/1301732053.db2.gz KGHQXKOKWMFNQK-ZDUSSCGKSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860176869 1301732059 /nfs/dbraw/zinc/73/20/59/1301732059.db2.gz KGHQXKOKWMFNQK-ZDUSSCGKSA-N 1 2 325.796 2.739 20 5 EFBDLO CCn1nncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862433819 1302382893 /nfs/dbraw/zinc/38/28/93/1302382893.db2.gz LCKNCMYVNHEHRP-UHFFFAOYSA-N 1 2 330.175 2.803 20 5 EFBDLO CC(C)(C)[C@H]1CC[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794641406 1302847347 /nfs/dbraw/zinc/84/73/47/1302847347.db2.gz XFDDNFJHWOXUTF-LBPRGKRZSA-N 1 2 346.387 2.737 20 5 EFBDLO CC(C)(C)[C@H]1CC[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794641406 1302847362 /nfs/dbraw/zinc/84/73/62/1302847362.db2.gz XFDDNFJHWOXUTF-LBPRGKRZSA-N 1 2 346.387 2.737 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000794630097 1302873206 /nfs/dbraw/zinc/87/32/06/1302873206.db2.gz CLCZMCMRSAJZGP-SMDDNHRTSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000794630097 1302873213 /nfs/dbraw/zinc/87/32/13/1302873213.db2.gz CLCZMCMRSAJZGP-SMDDNHRTSA-N 1 2 349.412 2.820 20 5 EFBDLO C[C@@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794634006 1302877180 /nfs/dbraw/zinc/87/71/80/1302877180.db2.gz QKZPLPDLUWCMBY-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794634006 1302877188 /nfs/dbraw/zinc/87/71/88/1302877188.db2.gz QKZPLPDLUWCMBY-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794636709 1302880635 /nfs/dbraw/zinc/88/06/35/1302880635.db2.gz KIUQBOCSPNCPSU-GUYCJALGSA-N 1 2 349.387 2.596 20 5 EFBDLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794636709 1302880645 /nfs/dbraw/zinc/88/06/45/1302880645.db2.gz KIUQBOCSPNCPSU-GUYCJALGSA-N 1 2 349.387 2.596 20 5 EFBDLO Cc1nn(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653016 1302903526 /nfs/dbraw/zinc/90/35/26/1302903526.db2.gz KXCNPKVWUFWFTI-GTNSWQLSSA-N 1 2 330.388 2.710 20 5 EFBDLO Cc1nn(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653016 1302903538 /nfs/dbraw/zinc/90/35/38/1302903538.db2.gz KXCNPKVWUFWFTI-GTNSWQLSSA-N 1 2 330.388 2.710 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864986699 1303113391 /nfs/dbraw/zinc/11/33/91/1303113391.db2.gz USKNZDGILZWVMO-CQSZACIVSA-N 1 2 348.378 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(CO)c(NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000865426845 1303251615 /nfs/dbraw/zinc/25/16/15/1303251615.db2.gz HEAITTYDLDHGCX-UHFFFAOYSA-N 1 2 346.362 2.834 20 5 EFBDLO C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000866583035 1303697094 /nfs/dbraw/zinc/69/70/94/1303697094.db2.gz RTAUWRYNLPHUGB-IUODEOHRSA-N 1 2 346.362 2.583 20 5 EFBDLO CCOC(=O)/C(=C\c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cn1 ZINC000794948988 1303794633 /nfs/dbraw/zinc/79/46/33/1303794633.db2.gz KATGASPDSSZCKP-UVTDQMKNSA-N 1 2 338.323 2.741 20 5 EFBDLO Nc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000748492934 1313945688 /nfs/dbraw/zinc/94/56/88/1313945688.db2.gz WIQCXKHIZBURJS-UHFFFAOYSA-N 1 2 338.323 2.720 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796549391 1306287283 /nfs/dbraw/zinc/28/72/83/1306287283.db2.gz ANIJDYKPWIBZTG-CQSZACIVSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796549391 1306287293 /nfs/dbraw/zinc/28/72/93/1306287293.db2.gz ANIJDYKPWIBZTG-CQSZACIVSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796555355 1306356009 /nfs/dbraw/zinc/35/60/09/1306356009.db2.gz RNUWVKOPIQYTRA-LBPRGKRZSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796555355 1306356017 /nfs/dbraw/zinc/35/60/17/1306356017.db2.gz RNUWVKOPIQYTRA-LBPRGKRZSA-N 1 2 339.367 2.787 20 5 EFBDLO COc1ncc(Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001210137549 1314286638 /nfs/dbraw/zinc/28/66/38/1314286638.db2.gz BSHDYBASPMYLLL-UHFFFAOYSA-N 1 2 344.371 2.574 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001210443923 1314334929 /nfs/dbraw/zinc/33/49/29/1314334929.db2.gz QWPIEWUSEUQYHE-UHFFFAOYSA-N 1 2 330.344 2.579 20 5 EFBDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491212 1311531397 /nfs/dbraw/zinc/53/13/97/1311531397.db2.gz NJIRJRQRQYQOMI-TZMCWYRMSA-N 1 2 329.356 2.910 20 5 EFBDLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491212 1311531399 /nfs/dbraw/zinc/53/13/99/1311531399.db2.gz NJIRJRQRQYQOMI-TZMCWYRMSA-N 1 2 329.356 2.910 20 5 EFBDLO CC(C)CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001225866132 1311583976 /nfs/dbraw/zinc/58/39/76/1311583976.db2.gz CVGDXXPYWODDSX-UHFFFAOYSA-N 1 2 325.434 2.783 20 5 EFBDLO C[NH+](C)[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000780090759 1311610313 /nfs/dbraw/zinc/61/03/13/1311610313.db2.gz NZSZXXAYMUQFFO-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385697 1311659717 /nfs/dbraw/zinc/65/97/17/1311659717.db2.gz JIUWCFRDUVEZMA-MRXNPFEDSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385697 1311659721 /nfs/dbraw/zinc/65/97/21/1311659721.db2.gz JIUWCFRDUVEZMA-MRXNPFEDSA-N 1 2 328.368 2.971 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780092284 1311750926 /nfs/dbraw/zinc/75/09/26/1311750926.db2.gz UETHFHVSOVRSHK-QGZVFWFLSA-N 1 2 344.367 2.950 20 5 EFBDLO COc1nc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)ncc1[N+](=O)[O-] ZINC001160683616 1311759121 /nfs/dbraw/zinc/75/91/21/1311759121.db2.gz PTPASWXMRMTZDP-JTQLQIEISA-N 1 2 328.332 2.523 20 5 EFBDLO Cc1cc(Cl)nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160722749 1311767840 /nfs/dbraw/zinc/76/78/40/1311767840.db2.gz IMUQDVKQTJQRLP-NEPJUHHUSA-N 1 2 340.811 2.617 20 5 EFBDLO CC1(CC(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001228332640 1311932080 /nfs/dbraw/zinc/93/20/80/1311932080.db2.gz JBMQVYYRRJJVBW-UHFFFAOYSA-N 1 2 337.445 2.927 20 5 EFBDLO O=[N+]([O-])c1ccc(O)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229395344 1312088293 /nfs/dbraw/zinc/08/82/93/1312088293.db2.gz HFJAEECRKOZGJW-MRXNPFEDSA-N 1 2 344.367 2.580 20 5 EFBDLO C[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898688 1312156637 /nfs/dbraw/zinc/15/66/37/1312156637.db2.gz IFLJUTYUZNUQIN-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898688 1312156639 /nfs/dbraw/zinc/15/66/39/1312156639.db2.gz IFLJUTYUZNUQIN-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230940961 1312397680 /nfs/dbraw/zinc/39/76/80/1312397680.db2.gz IHHGZBFZBQEXHP-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230940961 1312397684 /nfs/dbraw/zinc/39/76/84/1312397684.db2.gz IHHGZBFZBQEXHP-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc[nH+]c2N2CCOCC2)c1F ZINC001215287650 1314809804 /nfs/dbraw/zinc/80/98/04/1314809804.db2.gz UPCUTNVVNAMITI-UHFFFAOYSA-N 1 2 336.298 2.848 20 5 EFBDLO COc1cc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)cc([N+](=O)[O-])c1O ZINC001250874755 1315285140 /nfs/dbraw/zinc/28/51/40/1315285140.db2.gz PBSRRGGCAVCFFB-UHFFFAOYSA-N 1 2 342.355 2.914 20 5 EFBDLO COc1cc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC001250874755 1315285143 /nfs/dbraw/zinc/28/51/43/1315285143.db2.gz PBSRRGGCAVCFFB-UHFFFAOYSA-N 1 2 342.355 2.914 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001254538177 1315721220 /nfs/dbraw/zinc/72/12/20/1315721220.db2.gz QQMOOEBTPSVKMR-MRVPVSSYSA-N 1 2 330.266 2.717 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001254562059 1315723877 /nfs/dbraw/zinc/72/38/77/1315723877.db2.gz JDDGNJMQRJSXBA-GFCCVEGCSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001254562059 1315723879 /nfs/dbraw/zinc/72/38/79/1315723879.db2.gz JDDGNJMQRJSXBA-GFCCVEGCSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001254562062 1315723913 /nfs/dbraw/zinc/72/39/13/1315723913.db2.gz JDDGNJMQRJSXBA-LBPRGKRZSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001254562062 1315723916 /nfs/dbraw/zinc/72/39/16/1315723916.db2.gz JDDGNJMQRJSXBA-LBPRGKRZSA-N 1 2 327.388 2.511 20 5 EFBDLO CC(C)(C)OC(=O)NC1(C)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603058 1315729470 /nfs/dbraw/zinc/72/94/70/1315729470.db2.gz LCNLBNGGBDJWDT-OAHLLOKOSA-N 1 2 347.415 2.661 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603853 1315729685 /nfs/dbraw/zinc/72/96/85/1315729685.db2.gz RDQDDSGIRWQQTN-AEFFLSMTSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603853 1315729689 /nfs/dbraw/zinc/72/96/89/1315729689.db2.gz RDQDDSGIRWQQTN-AEFFLSMTSA-N 1 2 325.368 2.531 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318939971 1328746437 /nfs/dbraw/zinc/74/64/37/1328746437.db2.gz UKFSDGLWKBTKDF-UHFFFAOYSA-N 1 2 341.371 2.517 20 5 EFBDLO C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001319637569 1328935000 /nfs/dbraw/zinc/93/50/00/1328935000.db2.gz APJDOULAADVYKJ-NHYWBVRUSA-N 1 2 332.385 2.627 20 5 EFBDLO Cc1cncc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001326082135 1329732378 /nfs/dbraw/zinc/73/23/78/1329732378.db2.gz IBZKEVUJRLLUTL-UHFFFAOYSA-N 1 2 327.388 2.718 20 5 EFBDLO C[C@H]1OCC[C@@H]1c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001326565767 1330318367 /nfs/dbraw/zinc/31/83/67/1330318367.db2.gz HFFREKFICQGGNP-PWSUYJOCSA-N 1 2 341.327 2.723 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc(C(F)F)ncn3)CC2)c1 ZINC001333645937 1331186936 /nfs/dbraw/zinc/18/69/36/1331186936.db2.gz MJWXFBMHXWSWJE-UHFFFAOYSA-N 1 2 349.341 2.645 20 5 EFBDLO CC(C)(C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)co1 ZINC001334888769 1331325252 /nfs/dbraw/zinc/32/52/52/1331325252.db2.gz RAFDIJYWRYUTHI-UHFFFAOYSA-N 1 2 333.392 2.914 20 5 EFBDLO CCc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]c1 ZINC001337810210 1331600568 /nfs/dbraw/zinc/60/05/68/1331600568.db2.gz SQWVZHBTFUCULF-UHFFFAOYSA-N 1 2 346.412 2.576 20 5 EFBDLO COc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC001345745219 1332570488 /nfs/dbraw/zinc/57/04/88/1332570488.db2.gz HTTFZLHSLOHQSQ-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO Cn1cc[nH+]c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001347515075 1332751851 /nfs/dbraw/zinc/75/18/51/1332751851.db2.gz SGJDWDFDTFETFH-UHFFFAOYSA-N 1 2 330.369 2.516 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001350125086 1333037927 /nfs/dbraw/zinc/03/79/27/1333037927.db2.gz QGGDKYNSQVZYHE-UHFFFAOYSA-N 1 2 335.751 2.801 20 5 EFBDLO O=C(C=C1CCC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002583651 1334435410 /nfs/dbraw/zinc/43/54/10/1334435410.db2.gz YNYGUDWIJIYGEX-UHFFFAOYSA-N 1 2 335.429 2.847 20 5 EFBDLO Cc1ccccc1C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000849213430 1335569819 /nfs/dbraw/zinc/56/98/19/1335569819.db2.gz HHWNXULHXNNZKJ-GFCCVEGCSA-N 1 2 342.355 2.777 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnc1F ZINC000891459809 714763966 /nfs/dbraw/zinc/76/39/66/714763966.db2.gz FKNFGUAKCSZGNN-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543653 714839094 /nfs/dbraw/zinc/83/90/94/714839094.db2.gz IEJUJPBTIRGITO-SUMWQHHRSA-N 1 2 330.388 2.771 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543653 714839096 /nfs/dbraw/zinc/83/90/96/714839096.db2.gz IEJUJPBTIRGITO-SUMWQHHRSA-N 1 2 330.388 2.771 20 5 EFBDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000895389153 724104347 /nfs/dbraw/zinc/10/43/47/724104347.db2.gz TZJRSVXZZMSMEI-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000895389153 724104350 /nfs/dbraw/zinc/10/43/50/724104350.db2.gz TZJRSVXZZMSMEI-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000235371280 717341927 /nfs/dbraw/zinc/34/19/27/717341927.db2.gz CGPNCCUVDOBVTK-SKDRFNHKSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000235371280 717341928 /nfs/dbraw/zinc/34/19/28/717341928.db2.gz CGPNCCUVDOBVTK-SKDRFNHKSA-N 1 2 329.194 2.560 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000179559232 717780082 /nfs/dbraw/zinc/78/00/82/717780082.db2.gz PTYKBCQXXULVKB-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO O=C(OCC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177908802 718220078 /nfs/dbraw/zinc/22/00/78/718220078.db2.gz JOWHHDONAVOEIA-CYBMUJFWSA-N 1 2 331.328 2.506 20 5 EFBDLO CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000072511109 718560808 /nfs/dbraw/zinc/56/08/08/718560808.db2.gz GMKAOGPHZQCXAS-ZIAGYGMSSA-N 1 2 345.355 2.895 20 5 EFBDLO O=C(CC1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025657828 719290734 /nfs/dbraw/zinc/29/07/34/719290734.db2.gz XEHUHKADKHQLLP-HALDLXJZSA-N 1 2 349.456 2.783 20 5 EFBDLO O=C(CC1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025657828 719290735 /nfs/dbraw/zinc/29/07/35/719290735.db2.gz XEHUHKADKHQLLP-HALDLXJZSA-N 1 2 349.456 2.783 20 5 EFBDLO COc1cc([N+](=O)[O-])cnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000893126248 719705348 /nfs/dbraw/zinc/70/53/48/719705348.db2.gz VURWZIAUNSYQAJ-UHFFFAOYSA-N 1 2 345.403 2.892 20 5 EFBDLO CC(C)(C)OCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178790422 720846142 /nfs/dbraw/zinc/84/61/42/720846142.db2.gz FIPMMMLPUWKOIB-UHFFFAOYSA-N 1 2 333.344 2.752 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000015129976 721143339 /nfs/dbraw/zinc/14/33/39/721143339.db2.gz CWWGWHGIGZRWPJ-ZDUSSCGKSA-N 1 2 325.796 2.549 20 5 EFBDLO COc1c(O)ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c1[N+](=O)[O-] ZINC000894258687 721768679 /nfs/dbraw/zinc/76/86/79/721768679.db2.gz WLLBXOHBLKOARM-UHFFFAOYSA-N 1 2 337.763 2.956 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552376 722780730 /nfs/dbraw/zinc/78/07/30/722780730.db2.gz GYHAZJMIZFYRIA-YOEHRIQHSA-N 1 2 348.399 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552376 722780732 /nfs/dbraw/zinc/78/07/32/722780732.db2.gz GYHAZJMIZFYRIA-YOEHRIQHSA-N 1 2 348.399 2.843 20 5 EFBDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029192055 723043066 /nfs/dbraw/zinc/04/30/66/723043066.db2.gz AGYAVMIIMIPGPL-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029192055 723043067 /nfs/dbraw/zinc/04/30/67/723043067.db2.gz AGYAVMIIMIPGPL-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000896660347 723421310 /nfs/dbraw/zinc/42/13/10/723421310.db2.gz XEBIREPBJVTXTJ-UHFFFAOYSA-N 1 2 338.314 2.975 20 5 EFBDLO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895245576 723934827 /nfs/dbraw/zinc/93/48/27/723934827.db2.gz GHMMGXQXLBIJLP-IINYFYTJSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895245576 723934832 /nfs/dbraw/zinc/93/48/32/723934832.db2.gz GHMMGXQXLBIJLP-IINYFYTJSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895249718 723938537 /nfs/dbraw/zinc/93/85/37/723938537.db2.gz VADKNPQETWQUDN-GWCFXTLKSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895249718 723938539 /nfs/dbraw/zinc/93/85/39/723938539.db2.gz VADKNPQETWQUDN-GWCFXTLKSA-N 1 2 346.353 2.660 20 5 EFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652151 727732736 /nfs/dbraw/zinc/73/27/36/727732736.db2.gz ADAVVVHLELVHGM-CQSZACIVSA-N 1 2 340.383 2.723 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000044756223 727929048 /nfs/dbraw/zinc/92/90/48/727929048.db2.gz ZQHHFXXUQAWLJE-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000044756223 727929050 /nfs/dbraw/zinc/92/90/50/727929050.db2.gz ZQHHFXXUQAWLJE-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO CCCC[N@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000060839833 728435036 /nfs/dbraw/zinc/43/50/36/728435036.db2.gz ZLBUNGNMHXNCKJ-UHFFFAOYSA-N 1 2 330.388 2.898 20 5 EFBDLO CCCC[N@@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000060839833 728435037 /nfs/dbraw/zinc/43/50/37/728435037.db2.gz ZLBUNGNMHXNCKJ-UHFFFAOYSA-N 1 2 330.388 2.898 20 5 EFBDLO C[C@H]1SCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@H]1C ZINC000172904720 728609890 /nfs/dbraw/zinc/60/98/90/728609890.db2.gz RLHSLOAVRUOGBH-NWDGAFQWSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@H]1SCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@H]1C ZINC000172904720 728609891 /nfs/dbraw/zinc/60/98/91/728609891.db2.gz RLHSLOAVRUOGBH-NWDGAFQWSA-N 1 2 333.417 2.637 20 5 EFBDLO CCOC(=O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233646678 729502579 /nfs/dbraw/zinc/50/25/79/729502579.db2.gz TWLRBUNEJDCCEK-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO CCOC(=O)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233646678 729502583 /nfs/dbraw/zinc/50/25/83/729502583.db2.gz TWLRBUNEJDCCEK-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]1 ZINC001591948401 1093928423 /nfs/dbraw/zinc/92/84/23/1093928423.db2.gz GOIZUADDJVDVOE-UHFFFAOYSA-N 1 2 339.359 2.707 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604293755 1096798644 /nfs/dbraw/zinc/79/86/44/1096798644.db2.gz KQGGPHXKJQDGDY-UHFFFAOYSA-N 1 2 344.297 2.549 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914557 1098069866 /nfs/dbraw/zinc/06/98/66/1098069866.db2.gz XJTTYZNPDXUWMY-AWEZNQCLSA-N 1 2 347.415 2.601 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914557 1098069870 /nfs/dbraw/zinc/06/98/70/1098069870.db2.gz XJTTYZNPDXUWMY-AWEZNQCLSA-N 1 2 347.415 2.601 20 5 EFBDLO O=[N+]([O-])c1cccnc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001213199477 1104227319 /nfs/dbraw/zinc/22/73/19/1104227319.db2.gz BCDHJFIKDYBFNQ-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000843789475 1104571540 /nfs/dbraw/zinc/57/15/40/1104571540.db2.gz QTYIIIDSWYOKIU-GFCCVEGCSA-N 1 2 332.335 2.716 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCNc1cccc[nH+]1 ZINC000843803509 1109168562 /nfs/dbraw/zinc/16/85/62/1109168562.db2.gz WNKWVWUNLAGSSP-UHFFFAOYSA-N 1 2 332.335 2.669 20 5 EFBDLO CC(C)Oc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000842347118 1109531300 /nfs/dbraw/zinc/53/13/00/1109531300.db2.gz OFAUEZFMHPEHED-CYBMUJFWSA-N 1 2 340.351 2.583 20 5 EFBDLO CC(C)Oc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000842347118 1109531303 /nfs/dbraw/zinc/53/13/03/1109531303.db2.gz OFAUEZFMHPEHED-CYBMUJFWSA-N 1 2 340.351 2.583 20 5 EFBDLO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000914795601 1111385071 /nfs/dbraw/zinc/38/50/71/1111385071.db2.gz WMKMYZLKBINUBI-GXFFZTMASA-N 1 2 334.376 2.660 20 5 EFBDLO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000914795602 1111385321 /nfs/dbraw/zinc/38/53/21/1111385321.db2.gz WMKMYZLKBINUBI-MFKMUULPSA-N 1 2 334.376 2.660 20 5 EFBDLO CC(C)C[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000072916858 1120257432 /nfs/dbraw/zinc/25/74/32/1120257432.db2.gz RJPHKDHYEJEFEY-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)C[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000072916858 1120257435 /nfs/dbraw/zinc/25/74/35/1120257435.db2.gz RJPHKDHYEJEFEY-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000050449188 214056822 /nfs/dbraw/zinc/05/68/22/214056822.db2.gz IIJWFCHOVRHBTH-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000052488412 214131216 /nfs/dbraw/zinc/13/12/16/214131216.db2.gz QCZBCIXXXLNPQF-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000055053224 214267925 /nfs/dbraw/zinc/26/79/25/214267925.db2.gz CTDZYKZFJGCTTG-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000055053224 214267927 /nfs/dbraw/zinc/26/79/27/214267927.db2.gz CTDZYKZFJGCTTG-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CCc1nn(C)c(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000179577312 529767551 /nfs/dbraw/zinc/76/75/51/529767551.db2.gz YZHAMCXUMMVERR-UHFFFAOYSA-N 1 2 333.392 2.548 20 5 EFBDLO C[C@H](N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178243394 232116451 /nfs/dbraw/zinc/11/64/51/232116451.db2.gz CSSARIAVTDHDFV-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066565847 215055067 /nfs/dbraw/zinc/05/50/67/215055067.db2.gz DKRKCWFSNJFDIY-LLVKDONJSA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066565847 215055069 /nfs/dbraw/zinc/05/50/69/215055069.db2.gz DKRKCWFSNJFDIY-LLVKDONJSA-N 1 2 334.401 2.819 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347261884 282580661 /nfs/dbraw/zinc/58/06/61/282580661.db2.gz SFKSWUHZIGTXGQ-OAHLLOKOSA-N 1 2 343.387 2.621 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067400175 215140762 /nfs/dbraw/zinc/14/07/62/215140762.db2.gz RZARCJPYLHCDEH-AWEZNQCLSA-N 1 2 346.412 2.597 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067400175 215140765 /nfs/dbraw/zinc/14/07/65/215140765.db2.gz RZARCJPYLHCDEH-AWEZNQCLSA-N 1 2 346.412 2.597 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn21 ZINC000068569727 215320418 /nfs/dbraw/zinc/32/04/18/215320418.db2.gz DIYRXSANDYMBND-JXMROGBWSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000069163213 215367803 /nfs/dbraw/zinc/36/78/03/215367803.db2.gz YBOAZRPCXJFRIR-KRWDZBQOSA-N 1 2 343.358 2.843 20 5 EFBDLO C[N@@H+](Cc1ccc(Br)cc1)Cn1nccc1[N+](=O)[O-] ZINC000040554220 213348848 /nfs/dbraw/zinc/34/88/48/213348848.db2.gz HDIODTRHHHUKSW-UHFFFAOYSA-N 1 2 325.166 2.643 20 5 EFBDLO C[N@H+](Cc1ccc(Br)cc1)Cn1nccc1[N+](=O)[O-] ZINC000040554220 213348850 /nfs/dbraw/zinc/34/88/50/213348850.db2.gz HDIODTRHHHUKSW-UHFFFAOYSA-N 1 2 325.166 2.643 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000040512059 213328989 /nfs/dbraw/zinc/32/89/89/213328989.db2.gz UKSPXEHADPSPKF-UHFFFAOYSA-N 1 2 347.346 2.675 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000040512059 213328992 /nfs/dbraw/zinc/32/89/92/213328992.db2.gz UKSPXEHADPSPKF-UHFFFAOYSA-N 1 2 347.346 2.675 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000183442224 235079222 /nfs/dbraw/zinc/07/92/22/235079222.db2.gz FUXJGLLPXAXAEJ-JTQLQIEISA-N 1 2 342.359 2.538 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000071899691 215940867 /nfs/dbraw/zinc/94/08/67/215940867.db2.gz NKJGLOJUPZAAHE-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248146 291238834 /nfs/dbraw/zinc/23/88/34/291238834.db2.gz ORCFIMZXHXQTGK-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248146 291238835 /nfs/dbraw/zinc/23/88/35/291238835.db2.gz ORCFIMZXHXQTGK-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130521537 223159442 /nfs/dbraw/zinc/15/94/42/223159442.db2.gz HEXXVQABQZIFLM-UHFFFAOYSA-N 1 2 343.387 2.538 20 5 EFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130521537 223159443 /nfs/dbraw/zinc/15/94/43/223159443.db2.gz HEXXVQABQZIFLM-UHFFFAOYSA-N 1 2 343.387 2.538 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130965212 223192132 /nfs/dbraw/zinc/19/21/32/223192132.db2.gz DEAYSXUUVQNSLQ-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130965212 223192135 /nfs/dbraw/zinc/19/21/35/223192135.db2.gz DEAYSXUUVQNSLQ-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836992 216313537 /nfs/dbraw/zinc/31/35/37/216313537.db2.gz GAOPCTOQGNSGSQ-OAHLLOKOSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836992 216313539 /nfs/dbraw/zinc/31/35/39/216313539.db2.gz GAOPCTOQGNSGSQ-OAHLLOKOSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000073314455 216377111 /nfs/dbraw/zinc/37/71/11/216377111.db2.gz WGYSNDSXTAKJSW-UHFFFAOYSA-N 1 2 349.412 2.766 20 5 EFBDLO CCn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)cn1 ZINC000191714134 239263284 /nfs/dbraw/zinc/26/32/84/239263284.db2.gz GFISXZHEJPLKGC-QGZVFWFLSA-N 1 2 330.388 2.693 20 5 EFBDLO CCn1cc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)cn1 ZINC000191714134 239263288 /nfs/dbraw/zinc/26/32/88/239263288.db2.gz GFISXZHEJPLKGC-QGZVFWFLSA-N 1 2 330.388 2.693 20 5 EFBDLO Cc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000023736132 212393082 /nfs/dbraw/zinc/39/30/82/212393082.db2.gz AJRGTGXVARVNIM-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000132434979 223330834 /nfs/dbraw/zinc/33/08/34/223330834.db2.gz LGWHYVLOSXNBIO-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000132434979 223330836 /nfs/dbraw/zinc/33/08/36/223330836.db2.gz LGWHYVLOSXNBIO-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000412228288 243216954 /nfs/dbraw/zinc/21/69/54/243216954.db2.gz KPUWTVNLYCOJEM-RRFJBIMHSA-N 1 2 326.356 2.785 20 5 EFBDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000413077532 243457835 /nfs/dbraw/zinc/45/78/35/243457835.db2.gz MNHQGJHSSAKRTH-SECBINFHSA-N 1 2 329.282 2.953 20 5 EFBDLO Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000414463007 244175469 /nfs/dbraw/zinc/17/54/69/244175469.db2.gz IVRDOUJGGAGCLF-UHFFFAOYSA-N 1 2 349.412 2.766 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414234243 296135969 /nfs/dbraw/zinc/13/59/69/296135969.db2.gz IXBDQGGJGQJAEY-GFCCVEGCSA-N 1 2 334.397 2.849 20 5 EFBDLO Cc1cccc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000418945380 245317584 /nfs/dbraw/zinc/31/75/84/245317584.db2.gz LJZUNALWYIMEHO-GOSISDBHSA-N 1 2 349.431 2.803 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCC2)CC1 ZINC000419310084 245374365 /nfs/dbraw/zinc/37/43/65/245374365.db2.gz XDHFLPNOUWUYJV-ZDUSSCGKSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000421547797 246013725 /nfs/dbraw/zinc/01/37/25/246013725.db2.gz ZAWPVNRPWLJWQD-HNNXBMFYSA-N 1 2 328.372 2.826 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000428362574 247472131 /nfs/dbraw/zinc/47/21/31/247472131.db2.gz NWYZMQHUWDQKEC-CYBMUJFWSA-N 1 2 325.328 2.524 20 5 EFBDLO CN(CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000266262394 248209918 /nfs/dbraw/zinc/20/99/18/248209918.db2.gz DYYZXRVQDJIZEJ-OAHLLOKOSA-N 1 2 343.387 2.508 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)Cc3cccc(F)c3)nc2c1 ZINC000444694926 250331064 /nfs/dbraw/zinc/33/10/64/250331064.db2.gz KRJKVCAGSOWYDM-UHFFFAOYSA-N 1 2 344.346 2.605 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)Cc3cccc(F)c3)nc2c1 ZINC000444694926 250331069 /nfs/dbraw/zinc/33/10/69/250331069.db2.gz KRJKVCAGSOWYDM-UHFFFAOYSA-N 1 2 344.346 2.605 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095401832 218336709 /nfs/dbraw/zinc/33/67/09/218336709.db2.gz AFWKVZSNVGWCQX-OAHLLOKOSA-N 1 2 330.388 2.565 20 5 EFBDLO CC(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448810437 250807472 /nfs/dbraw/zinc/80/74/72/250807472.db2.gz MILAPNFXVPPILW-UHFFFAOYSA-N 1 2 346.387 2.573 20 5 EFBDLO COc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c([N+](=O)[O-])cc1OC ZINC000449570152 251069645 /nfs/dbraw/zinc/06/96/45/251069645.db2.gz JCCHEIVDMJRTNL-ZYHUDNBSSA-N 1 2 332.360 2.604 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000449762317 251145200 /nfs/dbraw/zinc/14/52/00/251145200.db2.gz HFMHORXICFFFHF-UHFFFAOYSA-N 1 2 345.399 2.522 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000449762317 251145202 /nfs/dbraw/zinc/14/52/02/251145202.db2.gz HFMHORXICFFFHF-UHFFFAOYSA-N 1 2 345.399 2.522 20 5 EFBDLO C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449897579 251193081 /nfs/dbraw/zinc/19/30/81/251193081.db2.gz VRCIMOUMXRYRAE-NEPJUHHUSA-N 1 2 346.412 2.747 20 5 EFBDLO Cc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000450435343 251386264 /nfs/dbraw/zinc/38/62/64/251386264.db2.gz HSKUUKYTXQAHRS-UHFFFAOYSA-N 1 2 330.392 2.587 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000452451665 251885602 /nfs/dbraw/zinc/88/56/02/251885602.db2.gz MJPIOTQRGMJNQM-ZDUSSCGKSA-N 1 2 332.335 2.691 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268694338 252146166 /nfs/dbraw/zinc/14/61/66/252146166.db2.gz PTDJHRHHIJSQQC-RBUKOAKNSA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268694338 252146170 /nfs/dbraw/zinc/14/61/70/252146170.db2.gz PTDJHRHHIJSQQC-RBUKOAKNSA-N 1 2 342.395 2.919 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229165 224077072 /nfs/dbraw/zinc/07/70/72/224077072.db2.gz HWHUGXPDSVPWBB-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229165 224077075 /nfs/dbraw/zinc/07/70/75/224077075.db2.gz HWHUGXPDSVPWBB-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000454380962 252242902 /nfs/dbraw/zinc/24/29/02/252242902.db2.gz YODSKXBZDYAZBD-SUNKGSAMSA-N 1 2 329.360 2.858 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000352706348 285142527 /nfs/dbraw/zinc/14/25/27/285142527.db2.gz MVRMUGUKXOLWDZ-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000352706348 285142529 /nfs/dbraw/zinc/14/25/29/285142529.db2.gz MVRMUGUKXOLWDZ-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCCO3)CC2 ZINC000131312710 285142537 /nfs/dbraw/zinc/14/25/37/285142537.db2.gz HSYBEXXAQDRDFA-UHFFFAOYSA-N 1 2 326.352 2.924 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCCO3)CC2 ZINC000131312710 285142541 /nfs/dbraw/zinc/14/25/41/285142541.db2.gz HSYBEXXAQDRDFA-UHFFFAOYSA-N 1 2 326.352 2.924 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000112644448 220362078 /nfs/dbraw/zinc/36/20/78/220362078.db2.gz UYTVWVAQGWMPKS-MNOVXSKESA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000112644448 220362084 /nfs/dbraw/zinc/36/20/84/220362084.db2.gz UYTVWVAQGWMPKS-MNOVXSKESA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@@H]1SCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000112644451 220363305 /nfs/dbraw/zinc/36/33/05/220363305.db2.gz UYTVWVAQGWMPKS-QWRGUYRKSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@@H]1SCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000112644451 220363309 /nfs/dbraw/zinc/36/33/09/220363309.db2.gz UYTVWVAQGWMPKS-QWRGUYRKSA-N 1 2 334.401 2.971 20 5 EFBDLO Cc1c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000112667944 220370341 /nfs/dbraw/zinc/37/03/41/220370341.db2.gz BZWPXRUXAAIOTQ-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO CN(C)C(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000154279420 224231081 /nfs/dbraw/zinc/23/10/81/224231081.db2.gz ZLXITWXOXORJGO-UHFFFAOYSA-N 1 2 342.399 2.789 20 5 EFBDLO CN(C)C(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000154279420 224231084 /nfs/dbraw/zinc/23/10/84/224231084.db2.gz ZLXITWXOXORJGO-UHFFFAOYSA-N 1 2 342.399 2.789 20 5 EFBDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467994369 256012960 /nfs/dbraw/zinc/01/29/60/256012960.db2.gz OFRKESLJIPJYBO-KRWDZBQOSA-N 1 2 342.395 2.901 20 5 EFBDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118835995 221192301 /nfs/dbraw/zinc/19/23/01/221192301.db2.gz PJBHTOKXAOVDRQ-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000118979319 221215816 /nfs/dbraw/zinc/21/58/16/221215816.db2.gz YDTPCJHOJURXLY-LLVKDONJSA-N 1 2 346.774 2.652 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1Cl ZINC000154731031 224296621 /nfs/dbraw/zinc/29/66/21/224296621.db2.gz DHCXEWHBCRFZKG-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCOCC3)C2)ccc1Cl ZINC000154731031 224296623 /nfs/dbraw/zinc/29/66/23/224296623.db2.gz DHCXEWHBCRFZKG-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000119673054 221374217 /nfs/dbraw/zinc/37/42/17/221374217.db2.gz SBYJAPBDVUTGLD-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000119673054 221374219 /nfs/dbraw/zinc/37/42/19/221374219.db2.gz SBYJAPBDVUTGLD-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000119736538 221389234 /nfs/dbraw/zinc/38/92/34/221389234.db2.gz VAWAILHIGNOMIR-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000119736538 221389238 /nfs/dbraw/zinc/38/92/38/221389238.db2.gz VAWAILHIGNOMIR-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000011563187 258054287 /nfs/dbraw/zinc/05/42/87/258054287.db2.gz VRWWNMLWBSLMQH-UHFFFAOYSA-N 1 2 325.328 2.607 20 5 EFBDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131252863 533245687 /nfs/dbraw/zinc/24/56/87/533245687.db2.gz ZRYGNXJDOGOBBW-ZDUSSCGKSA-N 1 2 331.416 2.790 20 5 EFBDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131252863 533245688 /nfs/dbraw/zinc/24/56/88/533245688.db2.gz ZRYGNXJDOGOBBW-ZDUSSCGKSA-N 1 2 331.416 2.790 20 5 EFBDLO C[C@@H]1CCCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288262 533652142 /nfs/dbraw/zinc/65/21/42/533652142.db2.gz GBWFAXYCRYUMJR-CQSZACIVSA-N 1 2 331.416 2.818 20 5 EFBDLO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288262 533652148 /nfs/dbraw/zinc/65/21/48/533652148.db2.gz GBWFAXYCRYUMJR-CQSZACIVSA-N 1 2 331.416 2.818 20 5 EFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000053510817 132188304 /nfs/dbraw/zinc/18/83/04/132188304.db2.gz YAFLHVZOEKJTHT-UHFFFAOYSA-N 1 2 346.412 2.972 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000182812082 141376863 /nfs/dbraw/zinc/37/68/63/141376863.db2.gz SDCCLXSVEKEXEX-AWEZNQCLSA-N 1 2 330.388 2.770 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344987131 142107934 /nfs/dbraw/zinc/10/79/34/142107934.db2.gz FEYQMFVGXHSEDV-UHFFFAOYSA-N 1 2 340.792 2.688 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000346026163 142135724 /nfs/dbraw/zinc/13/57/24/142135724.db2.gz ZTKNNKHZLDAKOX-OAHLLOKOSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1cccn2cc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH+]c12 ZINC000347492899 142225845 /nfs/dbraw/zinc/22/58/45/142225845.db2.gz ARCQAUBHFLHGAT-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO C[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347998728 142306382 /nfs/dbraw/zinc/30/63/82/142306382.db2.gz IZJAIRKNISPJLJ-NWDGAFQWSA-N 1 2 346.362 2.587 20 5 EFBDLO C[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347998724 142306414 /nfs/dbraw/zinc/30/64/14/142306414.db2.gz IZJAIRKNISPJLJ-NEPJUHHUSA-N 1 2 346.362 2.587 20 5 EFBDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 ZINC000349543135 142336426 /nfs/dbraw/zinc/33/64/26/142336426.db2.gz FLDYASVDQZEIRF-AWEZNQCLSA-N 1 2 342.399 2.995 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCOCC1CC1 ZINC000349611599 142340356 /nfs/dbraw/zinc/34/03/56/142340356.db2.gz OQCQESBHMMPOPI-UHFFFAOYSA-N 1 2 349.431 2.656 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)nc1-c1ccccc1 ZINC000341260222 145022389 /nfs/dbraw/zinc/02/23/89/145022389.db2.gz FTHZNJVKVMEPIK-UHFFFAOYSA-N 1 2 335.367 2.998 20 5 EFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341279063 145025339 /nfs/dbraw/zinc/02/53/39/145025339.db2.gz IFPUQMCYQRJVJI-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2cn3ccccc3[nH+]2)s1 ZINC000341346809 145036997 /nfs/dbraw/zinc/03/69/97/145036997.db2.gz KMTCHGYQTBWHEA-UHFFFAOYSA-N 1 2 326.341 2.859 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342629263 145162405 /nfs/dbraw/zinc/16/24/05/145162405.db2.gz DSFWLDGAINXYPP-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342629263 145162408 /nfs/dbraw/zinc/16/24/08/145162408.db2.gz DSFWLDGAINXYPP-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342889382 145215801 /nfs/dbraw/zinc/21/58/01/145215801.db2.gz UEUYNNBULVCUHV-NSHDSACASA-N 1 2 339.355 2.819 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188051 145387689 /nfs/dbraw/zinc/38/76/89/145387689.db2.gz JBYSDWIOEXTJSA-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344196056 145389958 /nfs/dbraw/zinc/38/99/58/145389958.db2.gz CXWJXDSSNMFQDR-UHFFFAOYSA-N 1 2 337.339 2.511 20 5 EFBDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000349237908 146068938 /nfs/dbraw/zinc/06/89/38/146068938.db2.gz JBJXQZNABBTHLL-RKDXNWHRSA-N 1 2 338.751 2.914 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc([N+](=O)[O-])cc1F ZINC000351647066 146167851 /nfs/dbraw/zinc/16/78/51/146167851.db2.gz BEFUZKJFLIJYLJ-UHFFFAOYSA-N 1 2 347.350 2.631 20 5 EFBDLO COCCO[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351723625 146187227 /nfs/dbraw/zinc/18/72/27/146187227.db2.gz ZXEHQIWAQCIEPF-LBPRGKRZSA-N 1 2 330.331 2.500 20 5 EFBDLO COCCO[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351723625 146187229 /nfs/dbraw/zinc/18/72/29/146187229.db2.gz ZXEHQIWAQCIEPF-LBPRGKRZSA-N 1 2 330.331 2.500 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352896245 146343371 /nfs/dbraw/zinc/34/33/71/146343371.db2.gz ZTJXMWPYHUZUAB-QWHCGFSZSA-N 1 2 339.823 2.543 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000353410161 146472538 /nfs/dbraw/zinc/47/25/38/146472538.db2.gz WJYHBTGGLWMAEW-INIZCTEOSA-N 1 2 341.346 2.742 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356342766 147218205 /nfs/dbraw/zinc/21/82/05/147218205.db2.gz PAPJAGLFKAWBMV-UHFFFAOYSA-N 1 2 338.323 2.953 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000356512880 147264459 /nfs/dbraw/zinc/26/44/59/147264459.db2.gz MTMULRHYKKFHPC-UHFFFAOYSA-N 1 2 334.401 2.760 20 5 EFBDLO CC(C)N1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000356940053 147378381 /nfs/dbraw/zinc/37/83/81/147378381.db2.gz WOVSWWWOXFYIPQ-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CC(C)N1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000356940053 147378382 /nfs/dbraw/zinc/37/83/82/147378382.db2.gz WOVSWWWOXFYIPQ-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO Cc1c(CNC(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000359190158 148019274 /nfs/dbraw/zinc/01/92/74/148019274.db2.gz MTRHFOLDNXSGIB-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000359984923 148241978 /nfs/dbraw/zinc/24/19/78/148241978.db2.gz KCERXNADFBOOGO-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066358 148263581 /nfs/dbraw/zinc/26/35/81/148263581.db2.gz OZJCGYYUBGFIGA-LLVKDONJSA-N 1 2 346.353 2.580 20 5 EFBDLO Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066358 148263583 /nfs/dbraw/zinc/26/35/83/148263583.db2.gz OZJCGYYUBGFIGA-LLVKDONJSA-N 1 2 346.353 2.580 20 5 EFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000360087915 148268140 /nfs/dbraw/zinc/26/81/40/148268140.db2.gz YSAPIKPTWGTGSP-HNNXBMFYSA-N 1 2 349.337 2.906 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000360135892 148280772 /nfs/dbraw/zinc/28/07/72/148280772.db2.gz RSKMHBVMOOKYJE-CYBMUJFWSA-N 1 2 344.371 2.876 20 5 EFBDLO Cc1c(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000360512490 148380191 /nfs/dbraw/zinc/38/01/91/148380191.db2.gz CPWZMWKMQCCSJY-GOSISDBHSA-N 1 2 339.395 2.794 20 5 EFBDLO Cc1c(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000360512490 148380193 /nfs/dbraw/zinc/38/01/93/148380193.db2.gz CPWZMWKMQCCSJY-GOSISDBHSA-N 1 2 339.395 2.794 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944516 149035313 /nfs/dbraw/zinc/03/53/13/149035313.db2.gz HKRSANRVYJGYGO-QFSBIZTOSA-N 1 2 347.371 2.504 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944516 149035315 /nfs/dbraw/zinc/03/53/15/149035315.db2.gz HKRSANRVYJGYGO-QFSBIZTOSA-N 1 2 347.371 2.504 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000364447772 149154084 /nfs/dbraw/zinc/15/40/84/149154084.db2.gz NQWTWDNWCSUAND-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO Cc1c(CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000365404727 149388140 /nfs/dbraw/zinc/38/81/40/149388140.db2.gz JPJPSDWHMCLUGL-UHFFFAOYSA-N 1 2 342.399 2.637 20 5 EFBDLO Cc1cc(N2CCn3c[nH+]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368178722 150057781 /nfs/dbraw/zinc/05/77/81/150057781.db2.gz UNFYTJHSUZDQFT-UHFFFAOYSA-N 1 2 336.355 2.577 20 5 EFBDLO Cc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccccn2)cc1 ZINC000369289967 150320735 /nfs/dbraw/zinc/32/07/35/150320735.db2.gz HCDCOHCPVNJPSP-QGZVFWFLSA-N 1 2 337.383 2.911 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292806 150322471 /nfs/dbraw/zinc/32/24/71/150322471.db2.gz HPOMRLLOWKHFPD-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292806 150322474 /nfs/dbraw/zinc/32/24/74/150322474.db2.gz HPOMRLLOWKHFPD-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369352603 150334606 /nfs/dbraw/zinc/33/46/06/150334606.db2.gz KDTKOMLDPDDHKY-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000369354638 150334965 /nfs/dbraw/zinc/33/49/65/150334965.db2.gz SMFGSHPPZABSBV-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO CCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369367208 150337569 /nfs/dbraw/zinc/33/75/69/150337569.db2.gz XBTZHUMJTLRQRU-OAHLLOKOSA-N 1 2 342.399 2.911 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000369369720 150338134 /nfs/dbraw/zinc/33/81/34/150338134.db2.gz LKFWCBAFVWTHLE-UHFFFAOYSA-N 1 2 335.795 2.756 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000369370173 150338785 /nfs/dbraw/zinc/33/87/85/150338785.db2.gz NPVPVRMUUGLCQW-PPYMECGQSA-N 1 2 340.383 2.748 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000373000977 151096386 /nfs/dbraw/zinc/09/63/86/151096386.db2.gz WUBJIZJZWPCRGL-UHFFFAOYSA-N 1 2 341.371 2.901 20 5 EFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000373741030 151218595 /nfs/dbraw/zinc/21/85/95/151218595.db2.gz KOQUNKYXPXBYQV-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000373758776 151222114 /nfs/dbraw/zinc/22/21/14/151222114.db2.gz FXWHXSCVLGFURL-UHFFFAOYSA-N 1 2 347.337 2.673 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000373758776 151222116 /nfs/dbraw/zinc/22/21/16/151222116.db2.gz FXWHXSCVLGFURL-UHFFFAOYSA-N 1 2 347.337 2.673 20 5 EFBDLO Cc1nccnc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374142586 151290230 /nfs/dbraw/zinc/29/02/30/151290230.db2.gz KKMXXCBHEKPLDL-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO Cc1nccnc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000374215321 151302721 /nfs/dbraw/zinc/30/27/21/151302721.db2.gz DMIWXNZCFAPWNT-GQCTYLIASA-N 1 2 339.399 2.529 20 5 EFBDLO CSc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374381624 151335989 /nfs/dbraw/zinc/33/59/89/151335989.db2.gz WFDGYDFXUCRAGT-GFCCVEGCSA-N 1 2 346.412 2.680 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000374389870 151338077 /nfs/dbraw/zinc/33/80/77/151338077.db2.gz VLQIYJRDPSYUMR-LLVKDONJSA-N 1 2 346.412 2.680 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000378246232 152040595 /nfs/dbraw/zinc/04/05/95/152040595.db2.gz VXIIQMLNBIDTBO-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000159754778 225272370 /nfs/dbraw/zinc/27/23/70/225272370.db2.gz IZZIZFXEYJVEOT-AWEZNQCLSA-N 1 2 341.371 2.699 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123131622 222221009 /nfs/dbraw/zinc/22/10/09/222221009.db2.gz SSTDFRAAEJQCEJ-BBRMVZONSA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000123258473 222245745 /nfs/dbraw/zinc/24/57/45/222245745.db2.gz NAVLHCLIKKDQRV-OAHLLOKOSA-N 1 2 341.415 2.885 20 5 EFBDLO Cc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000123807879 222334710 /nfs/dbraw/zinc/33/47/10/222334710.db2.gz PWMVOSRXKBBDRQ-LRDDRELGSA-N 1 2 328.372 2.823 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000171649995 227197056 /nfs/dbraw/zinc/19/70/56/227197056.db2.gz QENMJQXTZJIRSX-UHFFFAOYSA-N 1 2 343.387 2.681 20 5 EFBDLO CNC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000053556015 544452028 /nfs/dbraw/zinc/45/20/28/544452028.db2.gz RVMZEHYXENNNNA-UHFFFAOYSA-N 1 2 341.371 2.693 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000051184299 292635694 /nfs/dbraw/zinc/63/56/94/292635694.db2.gz QYVIGTPMFPVLLI-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO Cc1cnc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000271222023 265922841 /nfs/dbraw/zinc/92/28/41/265922841.db2.gz ZYPISNIHBWQEIX-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000271307800 265942882 /nfs/dbraw/zinc/94/28/82/265942882.db2.gz VYQMPPTVAVFDIF-UHFFFAOYSA-N 1 2 342.399 2.911 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000271339603 265950236 /nfs/dbraw/zinc/95/02/36/265950236.db2.gz WJQIKKUOUJTGRP-UHFFFAOYSA-N 1 2 342.399 2.983 20 5 EFBDLO COC1(C)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000271695530 266044669 /nfs/dbraw/zinc/04/46/69/266044669.db2.gz GCFAXZZBOIIJPF-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000271763014 266055686 /nfs/dbraw/zinc/05/56/86/266055686.db2.gz PEIFIOKHAGVOAD-LLVKDONJSA-N 1 2 348.428 2.533 20 5 EFBDLO COc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000271945670 266103362 /nfs/dbraw/zinc/10/33/62/266103362.db2.gz QAUZOPOZQIVVGF-LBPRGKRZSA-N 1 2 344.371 2.698 20 5 EFBDLO Cc1cc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000272659718 266343975 /nfs/dbraw/zinc/34/39/75/266343975.db2.gz OJWRIYVLQRHFPJ-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000272659718 266343977 /nfs/dbraw/zinc/34/39/77/266343977.db2.gz OJWRIYVLQRHFPJ-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273484151 266506757 /nfs/dbraw/zinc/50/67/57/266506757.db2.gz RAHOULYELUOTGQ-JTQLQIEISA-N 1 2 333.323 2.869 20 5 EFBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000276594740 267021081 /nfs/dbraw/zinc/02/10/81/267021081.db2.gz JVZBPXGRVTXVTM-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000277672981 267230507 /nfs/dbraw/zinc/23/05/07/267230507.db2.gz XVDSPHLJMLXYSP-SWLSCSKDSA-N 1 2 344.371 2.523 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000116306572 273016696 /nfs/dbraw/zinc/01/66/96/273016696.db2.gz NCKOPAIEKAXEFM-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CCOC1CC(CNc2cccc(C)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277812545 267270420 /nfs/dbraw/zinc/27/04/20/267270420.db2.gz IEUOYWONSJVYEQ-UHFFFAOYSA-N 1 2 349.431 2.585 20 5 EFBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000119859730 273017350 /nfs/dbraw/zinc/01/73/50/273017350.db2.gz JBCMSBUWEKWQQU-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278156544 267355899 /nfs/dbraw/zinc/35/58/99/267355899.db2.gz TWIXMYAVMKTIEP-SMDDNHRTSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278156544 267355900 /nfs/dbraw/zinc/35/59/00/267355900.db2.gz TWIXMYAVMKTIEP-SMDDNHRTSA-N 1 2 330.344 2.571 20 5 EFBDLO Cc1nc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000269636625 273086562 /nfs/dbraw/zinc/08/65/62/273086562.db2.gz HOMGJUROXLHVJH-OAHLLOKOSA-N 1 2 346.387 2.769 20 5 EFBDLO COc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274260470 273128243 /nfs/dbraw/zinc/12/82/43/273128243.db2.gz AZDJJAUIDSSACX-LBPRGKRZSA-N 1 2 348.428 2.943 20 5 EFBDLO CCc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH+]1 ZINC000279022598 273167586 /nfs/dbraw/zinc/16/75/86/273167586.db2.gz CDGHUXYYWUHMAE-UHFFFAOYSA-N 1 2 347.400 2.569 20 5 EFBDLO CCc1nnc([C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101248 273176890 /nfs/dbraw/zinc/17/68/90/273176890.db2.gz JIVYVFSNCWRENP-IUODEOHRSA-N 1 2 346.387 2.983 20 5 EFBDLO CCc1nnc([C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101248 273176892 /nfs/dbraw/zinc/17/68/92/273176892.db2.gz JIVYVFSNCWRENP-IUODEOHRSA-N 1 2 346.387 2.983 20 5 EFBDLO CCc1cc(N)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[nH+]1 ZINC000279146636 273181850 /nfs/dbraw/zinc/18/18/50/273181850.db2.gz ZGLCPYVSNZAEJZ-UHFFFAOYSA-N 1 2 348.384 2.688 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C2CC2)O1 ZINC000279265086 273195046 /nfs/dbraw/zinc/19/50/46/273195046.db2.gz IORCCUKDNVMCEL-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C2CC2)O1 ZINC000279265086 273195047 /nfs/dbraw/zinc/19/50/47/273195047.db2.gz IORCCUKDNVMCEL-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C2CC2)O1 ZINC000279265092 273195098 /nfs/dbraw/zinc/19/50/98/273195098.db2.gz IORCCUKDNVMCEL-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C2CC2)O1 ZINC000279265092 273195100 /nfs/dbraw/zinc/19/51/00/273195100.db2.gz IORCCUKDNVMCEL-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490903 273333660 /nfs/dbraw/zinc/33/36/60/273333660.db2.gz QEUBQPLCEOHYMZ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490903 273333662 /nfs/dbraw/zinc/33/36/62/273333662.db2.gz QEUBQPLCEOHYMZ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553823 273340240 /nfs/dbraw/zinc/34/02/40/273340240.db2.gz UMHHRZOKTRNQEI-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553823 273340242 /nfs/dbraw/zinc/34/02/42/273340242.db2.gz UMHHRZOKTRNQEI-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553812 273340388 /nfs/dbraw/zinc/34/03/88/273340388.db2.gz UMHHRZOKTRNQEI-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553812 273340389 /nfs/dbraw/zinc/34/03/89/273340389.db2.gz UMHHRZOKTRNQEI-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000281029531 273393311 /nfs/dbraw/zinc/39/33/11/273393311.db2.gz VCQHLBKTTJXOKD-UHFFFAOYSA-N 1 2 344.371 2.667 20 5 EFBDLO C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)C[C@H](C)O1 ZINC000282239378 273533776 /nfs/dbraw/zinc/53/37/76/273533776.db2.gz SLBITIBFDZIJFK-UWVGGRQHSA-N 1 2 335.389 2.804 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285973487 274109795 /nfs/dbraw/zinc/10/97/95/274109795.db2.gz NRFMXVFJTUTCCP-WFASDCNBSA-N 1 2 339.823 2.543 20 5 EFBDLO CC(=O)c1cc(N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000286025084 274119732 /nfs/dbraw/zinc/11/97/32/274119732.db2.gz GCONBLWUGKJJPE-UHFFFAOYSA-N 1 2 329.356 2.713 20 5 EFBDLO Cc1nnc([C@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH]1 ZINC000286662953 274245900 /nfs/dbraw/zinc/24/59/00/274245900.db2.gz XDXLSQDDQGYNGQ-JTQLQIEISA-N 1 2 339.359 2.960 20 5 EFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286954197 274308529 /nfs/dbraw/zinc/30/85/29/274308529.db2.gz RSTNERAEKABCDW-NSHDSACASA-N 1 2 333.417 2.517 20 5 EFBDLO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(OC)n1 ZINC000289615111 274791840 /nfs/dbraw/zinc/79/18/40/274791840.db2.gz OKULONGGQNGMDP-UHFFFAOYSA-N 1 2 337.763 2.950 20 5 EFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000364286400 275009036 /nfs/dbraw/zinc/00/90/36/275009036.db2.gz XIRYJCBJJGFKCB-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO CCOc1cccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000366504347 276380782 /nfs/dbraw/zinc/38/07/82/276380782.db2.gz KGZKUSIAUVOYCK-MRXNPFEDSA-N 1 2 346.387 2.667 20 5 EFBDLO COC(=O)C(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339034682 277048607 /nfs/dbraw/zinc/04/86/07/277048607.db2.gz NBWFGPFNJUFRAX-UHFFFAOYSA-N 1 2 334.294 2.997 20 5 EFBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339034682 277048609 /nfs/dbraw/zinc/04/86/09/277048609.db2.gz NBWFGPFNJUFRAX-UHFFFAOYSA-N 1 2 334.294 2.997 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000266367599 277937862 /nfs/dbraw/zinc/93/78/62/277937862.db2.gz LIPBHXLPSSUPAZ-AWEZNQCLSA-N 1 2 342.399 2.882 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000132355179 279246644 /nfs/dbraw/zinc/24/66/44/279246644.db2.gz LWSCJMASTFLDID-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c(C)[nH+]1 ZINC000177811535 281866548 /nfs/dbraw/zinc/86/65/48/281866548.db2.gz NGQWENNCXIPEJI-UHFFFAOYSA-N 1 2 327.388 2.637 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000435989980 288740827 /nfs/dbraw/zinc/74/08/27/288740827.db2.gz NCMWBOXWKKMLQM-GFCCVEGCSA-N 1 2 331.376 2.517 20 5 EFBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)cc1 ZINC000067593463 292696860 /nfs/dbraw/zinc/69/68/60/292696860.db2.gz ZKUWQSUOIHQMHO-INIZCTEOSA-N 1 2 343.383 2.642 20 5 EFBDLO Cc1cccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000091627576 292859660 /nfs/dbraw/zinc/85/96/60/292859660.db2.gz AAZSGLGSDLHABY-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000125760966 293015474 /nfs/dbraw/zinc/01/54/74/293015474.db2.gz KVAFGBLKUGMHOF-UHFFFAOYSA-N 1 2 342.399 2.863 20 5 EFBDLO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000125760966 293015478 /nfs/dbraw/zinc/01/54/78/293015478.db2.gz KVAFGBLKUGMHOF-UHFFFAOYSA-N 1 2 342.399 2.863 20 5 EFBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCCO1 ZINC000126007193 293024597 /nfs/dbraw/zinc/02/45/97/293024597.db2.gz IPKGYHICJWNARO-CQSZACIVSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCCO1 ZINC000126007193 293024599 /nfs/dbraw/zinc/02/45/99/293024599.db2.gz IPKGYHICJWNARO-CQSZACIVSA-N 1 2 332.360 2.646 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000126387421 293037062 /nfs/dbraw/zinc/03/70/62/293037062.db2.gz GLDODAOJHYGANY-UHFFFAOYSA-N 1 2 331.376 2.962 20 5 EFBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000154038156 293406755 /nfs/dbraw/zinc/40/67/55/293406755.db2.gz HQADPPWQWNIMSI-UHFFFAOYSA-N 1 2 337.445 2.731 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000158488554 293575196 /nfs/dbraw/zinc/57/51/96/293575196.db2.gz VSTKYQQHVLFLEV-UHFFFAOYSA-N 1 2 339.355 2.718 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255731681 293882361 /nfs/dbraw/zinc/88/23/61/293882361.db2.gz XSKNDXLWMJILLM-SREVYHEPSA-N 1 2 328.372 2.777 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000290585514 294127296 /nfs/dbraw/zinc/12/72/96/294127296.db2.gz WMUYPGNMDZCYDT-VIFPVBQESA-N 1 2 338.751 2.732 20 5 EFBDLO CC(C)(CCc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1)[N+](=O)[O-] ZINC000291062876 294262852 /nfs/dbraw/zinc/26/28/52/294262852.db2.gz KEPQSHOSXFPUEL-UHFFFAOYSA-N 1 2 341.371 2.969 20 5 EFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291229368 294317576 /nfs/dbraw/zinc/31/75/76/294317576.db2.gz WRLVCQIRUMMJRW-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291255466 294326932 /nfs/dbraw/zinc/32/69/32/294326932.db2.gz MNGQNJVOEXDXJU-ZDUSSCGKSA-N 1 2 338.314 2.840 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291255466 294326936 /nfs/dbraw/zinc/32/69/36/294326936.db2.gz MNGQNJVOEXDXJU-ZDUSSCGKSA-N 1 2 338.314 2.840 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294388748 295158689 /nfs/dbraw/zinc/15/86/89/295158689.db2.gz HTZSLWODFCICDT-UHFFFAOYSA-N 1 2 332.404 2.687 20 5 EFBDLO C[C@H](c1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000294661109 295202682 /nfs/dbraw/zinc/20/26/82/295202682.db2.gz RZWZALRZMXVJBZ-CQSZACIVSA-N 1 2 349.431 2.854 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898958 295242754 /nfs/dbraw/zinc/24/27/54/295242754.db2.gz XBVRKOQIUQEKPV-GFCCVEGCSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898958 295242755 /nfs/dbraw/zinc/24/27/55/295242755.db2.gz XBVRKOQIUQEKPV-GFCCVEGCSA-N 1 2 341.795 2.911 20 5 EFBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1Br ZINC000294901144 295243082 /nfs/dbraw/zinc/24/30/82/295243082.db2.gz DVIBKOMCEKVBQP-UHFFFAOYSA-N 1 2 326.154 2.581 20 5 EFBDLO CCn1nc(C)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000294959800 295251366 /nfs/dbraw/zinc/25/13/66/295251366.db2.gz WDOIHOQOQLLTFW-UHFFFAOYSA-N 1 2 345.403 2.558 20 5 EFBDLO CCn1cc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000295285427 295293280 /nfs/dbraw/zinc/29/32/80/295293280.db2.gz BRKQMRJKZAOIFI-LLVKDONJSA-N 1 2 342.359 2.712 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295378636 295310216 /nfs/dbraw/zinc/31/02/16/295310216.db2.gz DPJYQRQWFKATFJ-MRXNPFEDSA-N 1 2 342.399 2.871 20 5 EFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000295397536 295312981 /nfs/dbraw/zinc/31/29/81/295312981.db2.gz YZLHNBKPEOMZBT-LLVKDONJSA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1cc(F)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295922476 295397395 /nfs/dbraw/zinc/39/73/95/295397395.db2.gz FGEDVZHXVHDJQR-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1ccc(F)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000296005080 295410369 /nfs/dbraw/zinc/41/03/69/295410369.db2.gz MBSMDIOGUGYLCM-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000296260134 295449304 /nfs/dbraw/zinc/44/93/04/295449304.db2.gz JLWKSDGTVVRTAC-NSHDSACASA-N 1 2 344.400 2.921 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370565502 304812194 /nfs/dbraw/zinc/81/21/94/304812194.db2.gz KVYLTANPKFLAEO-ZIAGYGMSSA-N 1 2 340.811 2.699 20 5 EFBDLO Cc1cc(F)c(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000296646697 310833655 /nfs/dbraw/zinc/83/36/55/310833655.db2.gz DWKVVISQDYIWNN-UHFFFAOYSA-N 1 2 347.350 2.897 20 5 EFBDLO COCC1(O)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000297360308 310885537 /nfs/dbraw/zinc/88/55/37/310885537.db2.gz HISZTEQPWCOFAX-UHFFFAOYSA-N 1 2 334.397 2.516 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCCO1 ZINC000299069952 311047508 /nfs/dbraw/zinc/04/75/08/311047508.db2.gz UXRXGMVTXZNCPU-CQSZACIVSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCCO1 ZINC000299069952 311047510 /nfs/dbraw/zinc/04/75/10/311047510.db2.gz UXRXGMVTXZNCPU-CQSZACIVSA-N 1 2 332.360 2.646 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299644775 311106587 /nfs/dbraw/zinc/10/65/87/311106587.db2.gz JKAVGRAKXIJQNZ-UHFFFAOYSA-N 1 2 334.763 2.991 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000301177855 311123119 /nfs/dbraw/zinc/12/31/19/311123119.db2.gz NDKGDUVLPFNOHH-UHFFFAOYSA-N 1 2 328.376 2.509 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000301177855 311123120 /nfs/dbraw/zinc/12/31/20/311123120.db2.gz NDKGDUVLPFNOHH-UHFFFAOYSA-N 1 2 328.376 2.509 20 5 EFBDLO O=[N+]([O-])c1c(NCCc2[nH]c3ccc(F)cc3[nH+]2)nc2sccn21 ZINC000301564639 311144875 /nfs/dbraw/zinc/14/48/75/311144875.db2.gz VFHBGIPSIIXQRZ-UHFFFAOYSA-N 1 2 346.347 2.974 20 5 EFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000301607914 311147369 /nfs/dbraw/zinc/14/73/69/311147369.db2.gz ZQGIWRATCJCDKT-JTQLQIEISA-N 1 2 340.836 2.862 20 5 EFBDLO CC(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301624310 311148189 /nfs/dbraw/zinc/14/81/89/311148189.db2.gz FVJBFZUMOCQGLR-OAHLLOKOSA-N 1 2 327.340 2.850 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301822670 311160700 /nfs/dbraw/zinc/16/07/00/311160700.db2.gz HJOOOANZLLOIAV-UHFFFAOYSA-N 1 2 325.328 2.602 20 5 EFBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301933641 311167568 /nfs/dbraw/zinc/16/75/68/311167568.db2.gz PZGPTLHEUOPFNQ-UHFFFAOYSA-N 1 2 338.371 2.730 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302782030 311200816 /nfs/dbraw/zinc/20/08/16/311200816.db2.gz SJWLRSKRTAAGLY-CQSZACIVSA-N 1 2 336.779 2.921 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331097903 311354268 /nfs/dbraw/zinc/35/42/68/311354268.db2.gz DGXMVMPMRGOAQE-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331097903 311354270 /nfs/dbraw/zinc/35/42/70/311354270.db2.gz DGXMVMPMRGOAQE-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO CC(C)(C)c1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000331954576 311437928 /nfs/dbraw/zinc/43/79/28/311437928.db2.gz RDGVHIMUXIPNIO-UHFFFAOYSA-N 1 2 333.392 2.914 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000332222175 311473784 /nfs/dbraw/zinc/47/37/84/311473784.db2.gz JLIOGBODDCWRBZ-SNVBAGLBSA-N 1 2 348.428 2.895 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000339021590 311712681 /nfs/dbraw/zinc/71/26/81/311712681.db2.gz LTQNROCKFSGAJB-UHFFFAOYSA-N 1 2 345.374 2.757 20 5 EFBDLO CCc1cc(N[C@H](C)CCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450648469 312730495 /nfs/dbraw/zinc/73/04/95/312730495.db2.gz VSEMAIHNMHNIEU-CYBMUJFWSA-N 1 2 344.415 2.999 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000451174678 312812634 /nfs/dbraw/zinc/81/26/34/312812634.db2.gz FELGXSFUMCKSLU-LBPRGKRZSA-N 1 2 346.412 2.748 20 5 EFBDLO CCOCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451799338 312823056 /nfs/dbraw/zinc/82/30/56/312823056.db2.gz GIRRKEDEMWGLLK-UHFFFAOYSA-N 1 2 346.387 2.573 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000470204744 313130400 /nfs/dbraw/zinc/13/04/00/313130400.db2.gz WPCBXEVWAIZZOY-OQLLNIDSSA-N 1 2 331.416 2.798 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000470204744 313130402 /nfs/dbraw/zinc/13/04/02/313130402.db2.gz WPCBXEVWAIZZOY-OQLLNIDSSA-N 1 2 331.416 2.798 20 5 EFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481563807 313293809 /nfs/dbraw/zinc/29/38/09/313293809.db2.gz BNORAIHNXBDHKA-SFHVURJKSA-N 1 2 342.395 2.820 20 5 EFBDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481568104 313294185 /nfs/dbraw/zinc/29/41/85/313294185.db2.gz BZGLOXHDRSPSLA-GOSISDBHSA-N 1 2 342.395 2.820 20 5 EFBDLO CC(C)(C)NC(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000482520167 313302314 /nfs/dbraw/zinc/30/23/14/313302314.db2.gz QXONLYBDSUUCRE-VURMDHGXSA-N 1 2 346.431 2.734 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000486974947 313353780 /nfs/dbraw/zinc/35/37/80/313353780.db2.gz XHMLNLUOEFCHCA-UHFFFAOYSA-N 1 2 340.343 2.683 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2[nH+]1 ZINC000491025297 313698379 /nfs/dbraw/zinc/69/83/79/313698379.db2.gz OOIFFBPJOIWHAU-TWGQIWQCSA-N 1 2 336.351 2.615 20 5 EFBDLO CCOC(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000491064149 313702673 /nfs/dbraw/zinc/70/26/73/313702673.db2.gz GGDSMONPOZSUIZ-UHFFFAOYSA-N 1 2 327.406 2.709 20 5 EFBDLO CCOc1cc(C[N@H+](CC(=O)OC)C2CCCC2)ccc1[N+](=O)[O-] ZINC000492657391 314074646 /nfs/dbraw/zinc/07/46/46/314074646.db2.gz SHCVENDMIRGNDL-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOc1cc(C[N@@H+](CC(=O)OC)C2CCCC2)ccc1[N+](=O)[O-] ZINC000492657391 314074649 /nfs/dbraw/zinc/07/46/49/314074649.db2.gz SHCVENDMIRGNDL-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000492880265 314162607 /nfs/dbraw/zinc/16/26/07/314162607.db2.gz JYWQVGIZBDTZLD-HJWRWDBZSA-N 1 2 328.372 2.526 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000492972399 314196997 /nfs/dbraw/zinc/19/69/97/314196997.db2.gz JRPJZBUVILRFLL-DGMVEKRQSA-N 1 2 326.356 2.802 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000493221547 314281716 /nfs/dbraw/zinc/28/17/16/314281716.db2.gz PJKXMNVTNFXGAR-OMVNSRBRSA-N 1 2 330.369 2.605 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000493221545 314281862 /nfs/dbraw/zinc/28/18/62/314281862.db2.gz PJKXMNVTNFXGAR-BYPUDFOVSA-N 1 2 330.369 2.605 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000493683824 314443931 /nfs/dbraw/zinc/44/39/31/314443931.db2.gz LLASGIUEVKZCBQ-HWYHOQROSA-N 1 2 340.383 2.951 20 5 EFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[nH+]c1 ZINC000497298758 315383896 /nfs/dbraw/zinc/38/38/96/315383896.db2.gz NSJHTWWRGLWKIK-UHFFFAOYSA-N 1 2 342.355 2.909 20 5 EFBDLO CC1=C(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000516269597 315668071 /nfs/dbraw/zinc/66/80/71/315668071.db2.gz UUSFSZFTCUKICV-UHFFFAOYSA-N 1 2 331.416 2.974 20 5 EFBDLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000521138856 316001267 /nfs/dbraw/zinc/00/12/67/316001267.db2.gz ZEDUUUFPSLXOAM-CXAGYDPISA-N 1 2 341.367 2.773 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)cc1 ZINC000525795314 316238400 /nfs/dbraw/zinc/23/84/00/316238400.db2.gz XHYJDJKPAQEYHM-UHFFFAOYSA-N 1 2 344.371 2.899 20 5 EFBDLO Cc1cccc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[nH+]1 ZINC000530481475 317134568 /nfs/dbraw/zinc/13/45/68/317134568.db2.gz QEFYRSPYBQYFDB-UHFFFAOYSA-N 1 2 325.328 2.602 20 5 EFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000530786204 317179252 /nfs/dbraw/zinc/17/92/52/317179252.db2.gz HWQBEPCUSMEFDR-UHFFFAOYSA-N 1 2 343.318 2.643 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000545908663 317938811 /nfs/dbraw/zinc/93/88/11/317938811.db2.gz MLRMLNYQVWLRPE-MRXNPFEDSA-N 1 2 344.415 2.957 20 5 EFBDLO Cc1noc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000548180341 318081705 /nfs/dbraw/zinc/08/17/05/318081705.db2.gz UGKHXTVERTXRBQ-NSHDSACASA-N 1 2 342.359 2.542 20 5 EFBDLO Cc1noc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000548180341 318081707 /nfs/dbraw/zinc/08/17/07/318081707.db2.gz UGKHXTVERTXRBQ-NSHDSACASA-N 1 2 342.359 2.542 20 5 EFBDLO Cc1cc(NC[C@@]2(O)CCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549654598 318179545 /nfs/dbraw/zinc/17/95/45/318179545.db2.gz VLWFJBFGRIAHMK-SGTLLEGYSA-N 1 2 342.399 2.745 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000562679180 318683092 /nfs/dbraw/zinc/68/30/92/318683092.db2.gz DOTSGNFETSRJKZ-UHFFFAOYSA-N 1 2 338.411 2.801 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4nnco4)CC3)c2c1 ZINC000566326484 319063095 /nfs/dbraw/zinc/06/30/95/319063095.db2.gz YKJFHZOPBBBWHN-UHFFFAOYSA-N 1 2 325.328 2.910 20 5 EFBDLO Cc1cc(NC[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573468890 319769493 /nfs/dbraw/zinc/76/94/93/319769493.db2.gz UJLORHFAWMXXNB-WFASDCNBSA-N 1 2 342.399 2.867 20 5 EFBDLO C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)n1cc[nH+]c1 ZINC000577224248 320090153 /nfs/dbraw/zinc/09/01/53/320090153.db2.gz SYLBLHVBAIRAIC-CYBMUJFWSA-N 1 2 328.372 2.934 20 5 EFBDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000026741581 323212661 /nfs/dbraw/zinc/21/26/61/323212661.db2.gz KHBNHVTYYYDCNP-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000026741581 323212663 /nfs/dbraw/zinc/21/26/63/323212663.db2.gz KHBNHVTYYYDCNP-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C(F)(F)F ZINC000181317753 323232182 /nfs/dbraw/zinc/23/21/82/323232182.db2.gz KKJMBHUDASTKLW-GFCCVEGCSA-N 1 2 345.277 2.605 20 5 EFBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C(F)(F)F ZINC000181317753 323232183 /nfs/dbraw/zinc/23/21/83/323232183.db2.gz KKJMBHUDASTKLW-GFCCVEGCSA-N 1 2 345.277 2.605 20 5 EFBDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000182881066 323305813 /nfs/dbraw/zinc/30/58/13/323305813.db2.gz FZBJPZBUASFLQX-CYBMUJFWSA-N 1 2 328.372 3.000 20 5 EFBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184580020 323369020 /nfs/dbraw/zinc/36/90/20/323369020.db2.gz IGXOSKLBOVDWAB-JSGCOSHPSA-N 1 2 347.371 2.801 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000185002621 323380020 /nfs/dbraw/zinc/38/00/20/323380020.db2.gz IOQKGMHBNUHMKJ-LLVKDONJSA-N 1 2 334.401 2.957 20 5 EFBDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580772130 324232012 /nfs/dbraw/zinc/23/20/12/324232012.db2.gz VNSOOWYTLGXNGQ-OAHLLOKOSA-N 1 2 341.415 2.980 20 5 EFBDLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580772130 324232018 /nfs/dbraw/zinc/23/20/18/324232018.db2.gz VNSOOWYTLGXNGQ-OAHLLOKOSA-N 1 2 341.415 2.980 20 5 EFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000610247140 450160671 /nfs/dbraw/zinc/16/06/71/450160671.db2.gz BIAPMZXASHEBGT-UHFFFAOYSA-N 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ZINC000139730250 473237686 /nfs/dbraw/zinc/23/76/86/473237686.db2.gz DOHZAAJKDVGRKV-CQSZACIVSA-N 1 2 347.415 2.875 20 5 EFBDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000095990569 473247010 /nfs/dbraw/zinc/24/70/10/473247010.db2.gz MFEAGFZIJWZDBL-ZDUSSCGKSA-N 1 2 328.372 3.000 20 5 EFBDLO Cc1noc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000177018853 473287477 /nfs/dbraw/zinc/28/74/77/473287477.db2.gz IOHIVVWAJWTNCR-UHFFFAOYSA-N 1 2 343.343 2.807 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190531152 473308605 /nfs/dbraw/zinc/30/86/05/473308605.db2.gz RWTPIPASDDNPMV-LBPRGKRZSA-N 1 2 335.404 2.811 20 5 EFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000083006235 473309301 /nfs/dbraw/zinc/30/93/01/473309301.db2.gz YGDRGSFFFQNLNG-UHFFFAOYSA-N 1 2 340.339 2.557 20 5 EFBDLO C[C@@]1(O)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162459234 473343136 /nfs/dbraw/zinc/34/31/36/473343136.db2.gz WJKMEEMVPLTXKD-CYBMUJFWSA-N 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000007911410 471646533 /nfs/dbraw/zinc/64/65/33/471646533.db2.gz VBGTZCWFPWALNH-UHFFFAOYSA-N 1 2 347.346 2.813 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000010895797 471743407 /nfs/dbraw/zinc/74/34/07/471743407.db2.gz OVWYLDRXPBEGID-UHFFFAOYSA-N 1 2 326.312 2.797 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000016442175 471937342 /nfs/dbraw/zinc/93/73/42/471937342.db2.gz YESJBBUIXZUVRK-UHFFFAOYSA-N 1 2 331.372 2.514 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000016738429 471948608 /nfs/dbraw/zinc/94/86/08/471948608.db2.gz CCYAQAMBYGRBKJ-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(c1ccsc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053325039 471994294 /nfs/dbraw/zinc/99/42/94/471994294.db2.gz VGRBAAHASHNOIP-UHFFFAOYSA-N 1 2 345.424 2.657 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000022261097 472012234 /nfs/dbraw/zinc/01/22/34/472012234.db2.gz UAJYIXRXFSDVKL-GFCCVEGCSA-N 1 2 346.778 2.917 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735782 472037537 /nfs/dbraw/zinc/03/75/37/472037537.db2.gz IZUPEWBOVBXXSJ-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO COC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000053920399 472042360 /nfs/dbraw/zinc/04/23/60/472042360.db2.gz OAXDOUDPHJTRLR-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)NCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000067536324 472045925 /nfs/dbraw/zinc/04/59/25/472045925.db2.gz XCUOOLBXJHDCKR-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO Cc1ccn2cc(CNC(=O)NCc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000067536412 472046041 /nfs/dbraw/zinc/04/60/41/472046041.db2.gz MVHJZXKRNIJBOI-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000024165191 472047708 /nfs/dbraw/zinc/04/77/08/472047708.db2.gz FYOVLBLVCDIURA-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)s1 ZINC000054389635 472083832 /nfs/dbraw/zinc/08/38/32/472083832.db2.gz OLFBIUCZPAQTGT-UHFFFAOYSA-N 1 2 343.412 2.626 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000025370984 472093952 /nfs/dbraw/zinc/09/39/52/472093952.db2.gz QOAFZMVNAOEBLR-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055059720 472135540 /nfs/dbraw/zinc/13/55/40/472135540.db2.gz LZLFZJRHBHLNLJ-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055059720 472135545 /nfs/dbraw/zinc/13/55/45/472135545.db2.gz LZLFZJRHBHLNLJ-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000075588220 472162939 /nfs/dbraw/zinc/16/29/39/472162939.db2.gz MSEHQPXCFNLFET-OAHLLOKOSA-N 1 2 346.431 2.879 20 5 EFBDLO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000075587302 472163308 /nfs/dbraw/zinc/16/33/08/472163308.db2.gz KDKUVTNAPOYKSW-AWEZNQCLSA-N 1 2 330.388 2.770 20 5 EFBDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000075587302 472163315 /nfs/dbraw/zinc/16/33/15/472163315.db2.gz KDKUVTNAPOYKSW-AWEZNQCLSA-N 1 2 330.388 2.770 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000027415127 472177226 /nfs/dbraw/zinc/17/72/26/472177226.db2.gz OQAJGTBVXANXBN-MRXNPFEDSA-N 1 2 336.351 2.848 20 5 EFBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)c1 ZINC000075676957 472181426 /nfs/dbraw/zinc/18/14/26/472181426.db2.gz HRNWVYCNNREIBG-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO O=c1ccn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)cc1[N+](=O)[O-] ZINC000084613318 472198494 /nfs/dbraw/zinc/19/84/94/472198494.db2.gz JFSSFVSCLFALHE-UHFFFAOYSA-N 1 2 339.138 2.759 20 5 EFBDLO Cc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000043148636 472205800 /nfs/dbraw/zinc/20/58/00/472205800.db2.gz ZZJSFMJXFSNCKZ-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342835 472225628 /nfs/dbraw/zinc/22/56/28/472225628.db2.gz KOMDMPBYELFYCN-UHFFFAOYSA-N 1 2 335.751 2.877 20 5 EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000055696436 472226029 /nfs/dbraw/zinc/22/60/29/472226029.db2.gz MGILDKZMEALJIX-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO Cc1c(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cccc1[N+](=O)[O-] ZINC000043347031 472227030 /nfs/dbraw/zinc/22/70/30/472227030.db2.gz MOQPBUKACDRBQH-UHFFFAOYSA-N 1 2 329.360 2.686 20 5 EFBDLO CCc1nsc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000076063161 472257770 /nfs/dbraw/zinc/25/77/70/472257770.db2.gz WTOYVBRJIUYJOC-UHFFFAOYSA-N 1 2 347.444 2.639 20 5 EFBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000616785232 479975786 /nfs/dbraw/zinc/97/57/86/479975786.db2.gz FEAGKTQHAKHADH-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000616785232 479975790 /nfs/dbraw/zinc/97/57/90/479975790.db2.gz FEAGKTQHAKHADH-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000076082823 472264442 /nfs/dbraw/zinc/26/44/42/472264442.db2.gz MLWHWPCCMIFDGD-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056396894 472315923 /nfs/dbraw/zinc/31/59/23/472315923.db2.gz RRESFFGEORYXQC-LBPRGKRZSA-N 1 2 343.387 2.616 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCCNc1cccc[nH+]1 ZINC000087303868 472323923 /nfs/dbraw/zinc/32/39/23/472323923.db2.gz BZQDYMSUIFTLMN-UHFFFAOYSA-N 1 2 342.399 2.931 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000088577842 472375437 /nfs/dbraw/zinc/37/54/37/472375437.db2.gz JMHQWBRQIJOSEZ-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO CNC(=O)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606785 472377992 /nfs/dbraw/zinc/37/79/92/472377992.db2.gz WHMCYROGNMBHAW-UHFFFAOYSA-N 1 2 325.368 2.513 20 5 EFBDLO CNC(=O)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606785 472377995 /nfs/dbraw/zinc/37/79/95/472377995.db2.gz WHMCYROGNMBHAW-UHFFFAOYSA-N 1 2 325.368 2.513 20 5 EFBDLO Cc1nn(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1Br ZINC000089232669 472396346 /nfs/dbraw/zinc/39/63/46/472396346.db2.gz CHHCNQVPMIRQTK-UHFFFAOYSA-N 1 2 339.193 2.689 20 5 EFBDLO Cc1nn(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1Br ZINC000089231906 472396630 /nfs/dbraw/zinc/39/66/30/472396630.db2.gz QRLOUYKFROXCQR-UHFFFAOYSA-N 1 2 339.193 2.689 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000057267819 472408482 /nfs/dbraw/zinc/40/84/82/472408482.db2.gz XQZIDEQUKYUNBC-SOFGYWHQSA-N 1 2 336.351 2.881 20 5 EFBDLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000128224297 472421374 /nfs/dbraw/zinc/42/13/74/472421374.db2.gz RNDTVKINHPZKTL-LLVKDONJSA-N 1 2 347.337 2.672 20 5 EFBDLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000128224297 472421377 /nfs/dbraw/zinc/42/13/77/472421377.db2.gz RNDTVKINHPZKTL-LLVKDONJSA-N 1 2 347.337 2.672 20 5 EFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032333084 472422685 /nfs/dbraw/zinc/42/26/85/472422685.db2.gz MSMZDRZKPNXBQW-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000045602171 472432697 /nfs/dbraw/zinc/43/26/97/472432697.db2.gz FDMYQHTYNVKFOF-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000032466150 472438825 /nfs/dbraw/zinc/43/88/25/472438825.db2.gz GLCPLWHJKACRTO-UHFFFAOYSA-N 1 2 342.359 2.604 20 5 EFBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128392221 472446046 /nfs/dbraw/zinc/44/60/46/472446046.db2.gz GLSXIQGNOWONLP-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128392221 472446053 /nfs/dbraw/zinc/44/60/53/472446053.db2.gz GLSXIQGNOWONLP-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000097163054 472469919 /nfs/dbraw/zinc/46/99/19/472469919.db2.gz VXRPOBSIYVLVLH-CQSZACIVSA-N 1 2 341.371 2.699 20 5 EFBDLO CCCC[C@@H](COC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128591462 472471624 /nfs/dbraw/zinc/47/16/24/472471624.db2.gz AOZMXGONTRHYOX-AWEZNQCLSA-N 1 2 346.387 2.716 20 5 EFBDLO Cc1cc(N(C)Cc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825585 472479783 /nfs/dbraw/zinc/47/97/83/472479783.db2.gz MYDRXAQZDKFZGO-UHFFFAOYSA-N 1 2 338.371 2.730 20 5 EFBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000046056641 472505049 /nfs/dbraw/zinc/50/50/49/472505049.db2.gz DEARHLVMLZNEOG-UHFFFAOYSA-N 1 2 347.440 2.853 20 5 EFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000118724819 472505823 /nfs/dbraw/zinc/50/58/23/472505823.db2.gz UARVEPVZYRHDJW-MDZDMXLPSA-N 1 2 326.356 2.621 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000119562594 472566068 /nfs/dbraw/zinc/56/60/68/472566068.db2.gz YKGWSDJGFCATKX-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CCOC(=O)c1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000089984840 472570751 /nfs/dbraw/zinc/57/07/51/472570751.db2.gz HURSDSVHWFJLDV-UHFFFAOYSA-N 1 2 344.371 2.810 20 5 EFBDLO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599198 472574991 /nfs/dbraw/zinc/57/49/91/472574991.db2.gz IQHWJNZLZPRUBQ-GFCCVEGCSA-N 1 2 333.413 2.793 20 5 EFBDLO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599198 472574997 /nfs/dbraw/zinc/57/49/97/472574997.db2.gz IQHWJNZLZPRUBQ-GFCCVEGCSA-N 1 2 333.413 2.793 20 5 EFBDLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000071912057 472617705 /nfs/dbraw/zinc/61/77/05/472617705.db2.gz MQWSFTZAAFHTRR-NEPJUHHUSA-N 1 2 346.391 2.744 20 5 EFBDLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000071912057 472617708 /nfs/dbraw/zinc/61/77/08/472617708.db2.gz MQWSFTZAAFHTRR-NEPJUHHUSA-N 1 2 346.391 2.744 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)nc2c1 ZINC000130783107 472627883 /nfs/dbraw/zinc/62/78/83/472627883.db2.gz VKYGREWYXYMPKN-INIZCTEOSA-N 1 2 339.351 2.828 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4ccccc4[C@@H]3CO)nc2c1 ZINC000130783107 472627888 /nfs/dbraw/zinc/62/78/88/472627888.db2.gz VKYGREWYXYMPKN-INIZCTEOSA-N 1 2 339.351 2.828 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000120095853 472631114 /nfs/dbraw/zinc/63/11/14/472631114.db2.gz GYFNAEAHMNTKRF-GFCCVEGCSA-N 1 2 346.774 2.652 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000060046417 472633251 /nfs/dbraw/zinc/63/32/51/472633251.db2.gz UHAYJEFLJKIKDP-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO COc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000120118360 472633888 /nfs/dbraw/zinc/63/38/88/472633888.db2.gz HLTKPCFBDMJTAC-CYBMUJFWSA-N 1 2 330.344 2.694 20 5 EFBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120338247 472670041 /nfs/dbraw/zinc/67/00/41/472670041.db2.gz MHXAPZJCTBFVJR-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120338247 472670051 /nfs/dbraw/zinc/67/00/51/472670051.db2.gz MHXAPZJCTBFVJR-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO COC(=O)c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000131427007 472670857 /nfs/dbraw/zinc/67/08/57/472670857.db2.gz ZYZSMFFBAKAUHQ-UHFFFAOYSA-N 1 2 330.340 2.841 20 5 EFBDLO COC(=O)c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000131427007 472670862 /nfs/dbraw/zinc/67/08/62/472670862.db2.gz ZYZSMFFBAKAUHQ-UHFFFAOYSA-N 1 2 330.340 2.841 20 5 EFBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120349274 472673593 /nfs/dbraw/zinc/67/35/93/472673593.db2.gz NYLCJRINQMEIID-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120349274 472673597 /nfs/dbraw/zinc/67/35/97/472673597.db2.gz NYLCJRINQMEIID-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO Cc1nn(C)c2ncc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000131486405 472674256 /nfs/dbraw/zinc/67/42/56/472674256.db2.gz QDAVABVRSDPOIM-UHFFFAOYSA-N 1 2 337.383 2.743 20 5 EFBDLO Cc1nn(C)c2ncc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000131486405 472674260 /nfs/dbraw/zinc/67/42/60/472674260.db2.gz QDAVABVRSDPOIM-UHFFFAOYSA-N 1 2 337.383 2.743 20 5 EFBDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000047259504 472678765 /nfs/dbraw/zinc/67/87/65/472678765.db2.gz UYLUJKWVGIAZSS-JTQLQIEISA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000047259504 472678769 /nfs/dbraw/zinc/67/87/69/472678769.db2.gz UYLUJKWVGIAZSS-JTQLQIEISA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000047259177 472679113 /nfs/dbraw/zinc/67/91/13/472679113.db2.gz ZDGNXPGETJKTSI-SNVBAGLBSA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000047259177 472679119 /nfs/dbraw/zinc/67/91/19/472679119.db2.gz ZDGNXPGETJKTSI-SNVBAGLBSA-N 1 2 334.401 2.819 20 5 EFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000047417638 472706856 /nfs/dbraw/zinc/70/68/56/472706856.db2.gz YASHNPDSOWZHPP-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000132328568 472726933 /nfs/dbraw/zinc/72/69/33/472726933.db2.gz WBKOOXACFUIZQP-UHFFFAOYSA-N 1 2 338.367 2.959 20 5 EFBDLO Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000105347694 472747515 /nfs/dbraw/zinc/74/75/15/472747515.db2.gz YKXFPXLNFQUEQU-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO O=C1[C@H]([N@@H+]2CCc3ccsc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000132955872 472765574 /nfs/dbraw/zinc/76/55/74/472765574.db2.gz XLVYQHASKMFCIL-OAHLLOKOSA-N 1 2 343.408 2.820 20 5 EFBDLO O=C1[C@H]([N@H+]2CCc3ccsc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000132955872 472765579 /nfs/dbraw/zinc/76/55/79/472765579.db2.gz XLVYQHASKMFCIL-OAHLLOKOSA-N 1 2 343.408 2.820 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000120957761 472774023 /nfs/dbraw/zinc/77/40/23/472774023.db2.gz QBCUPOLKURGLBA-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO Cc1csc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000047889140 472776919 /nfs/dbraw/zinc/77/69/19/472776919.db2.gz OBSXXWDXMYUBHX-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079063419 472813145 /nfs/dbraw/zinc/81/31/45/472813145.db2.gz WLLPNYHSLRSOJQ-UHFFFAOYSA-N 1 2 343.387 2.800 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000133820480 472845152 /nfs/dbraw/zinc/84/51/52/472845152.db2.gz LHARXAGVZXKTQI-UHFFFAOYSA-N 1 2 347.415 2.639 20 5 EFBDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092073547 472853405 /nfs/dbraw/zinc/85/34/05/472853405.db2.gz VMPVTVUBNUEFON-ZDUSSCGKSA-N 1 2 336.388 2.856 20 5 EFBDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092073547 472853411 /nfs/dbraw/zinc/85/34/11/472853411.db2.gz VMPVTVUBNUEFON-ZDUSSCGKSA-N 1 2 336.388 2.856 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000048314017 472855070 /nfs/dbraw/zinc/85/50/70/472855070.db2.gz OSLKHYTVWUTQNN-MRXNPFEDSA-N 1 2 328.372 2.723 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000048314017 472855075 /nfs/dbraw/zinc/85/50/75/472855075.db2.gz OSLKHYTVWUTQNN-MRXNPFEDSA-N 1 2 328.372 2.723 20 5 EFBDLO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000133953260 472858190 /nfs/dbraw/zinc/85/81/90/472858190.db2.gz SHTAQVMLLAXRLC-UHFFFAOYSA-N 1 2 347.415 2.685 20 5 EFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106542556 472862657 /nfs/dbraw/zinc/86/26/57/472862657.db2.gz HWEUQWLNHLBGIX-HNNXBMFYSA-N 1 2 343.387 2.797 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572740 472873515 /nfs/dbraw/zinc/87/35/15/472873515.db2.gz GNRIRQNRPPFFPV-HOTGVXAUSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572740 472873522 /nfs/dbraw/zinc/87/35/22/472873522.db2.gz GNRIRQNRPPFFPV-HOTGVXAUSA-N 1 2 348.424 2.981 20 5 EFBDLO COC(=O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000134201095 472883972 /nfs/dbraw/zinc/88/39/72/472883972.db2.gz IDYMAQKQQYOXFO-UHFFFAOYSA-N 1 2 333.344 2.654 20 5 EFBDLO COC(=O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000134201095 472883981 /nfs/dbraw/zinc/88/39/81/472883981.db2.gz IDYMAQKQQYOXFO-UHFFFAOYSA-N 1 2 333.344 2.654 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000064957813 472888529 /nfs/dbraw/zinc/88/85/29/472888529.db2.gz SLDUSMYCPXYKFT-AWEZNQCLSA-N 1 2 345.403 2.800 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCCC3)C2)c2c(c1)COCO2 ZINC000158366830 472929052 /nfs/dbraw/zinc/92/90/52/472929052.db2.gz KQLVGOVTIIXADP-UHFFFAOYSA-N 1 2 334.372 2.606 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCCC3)C2)c2c(c1)COCO2 ZINC000158366830 472929060 /nfs/dbraw/zinc/92/90/60/472929060.db2.gz KQLVGOVTIIXADP-UHFFFAOYSA-N 1 2 334.372 2.606 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)c1 ZINC000158499332 472941334 /nfs/dbraw/zinc/94/13/34/472941334.db2.gz HKQROHNTSDQWPL-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000107336071 472945235 /nfs/dbraw/zinc/94/52/35/472945235.db2.gz KIHKOIDFHINCFU-RCBQFDQVSA-N 1 2 348.399 2.910 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000107336071 472945240 /nfs/dbraw/zinc/94/52/40/472945240.db2.gz KIHKOIDFHINCFU-RCBQFDQVSA-N 1 2 348.399 2.910 20 5 EFBDLO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000079954928 472949313 /nfs/dbraw/zinc/94/93/13/472949313.db2.gz QTAAXQSFWURGJI-QGZVFWFLSA-N 1 2 343.383 2.777 20 5 EFBDLO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000079954928 472949317 /nfs/dbraw/zinc/94/93/17/472949317.db2.gz QTAAXQSFWURGJI-QGZVFWFLSA-N 1 2 343.383 2.777 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NCCc1[nH+]c2ccc(F)cc2n1C ZINC000092656005 472954715 /nfs/dbraw/zinc/95/47/15/472954715.db2.gz VIGOKPKPDXVIGM-UHFFFAOYSA-N 1 2 329.335 2.979 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000049675388 472958023 /nfs/dbraw/zinc/95/80/23/472958023.db2.gz WNXAWNCNDRETMM-UHFFFAOYSA-N 1 2 338.367 2.912 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065545014 472972101 /nfs/dbraw/zinc/97/21/01/472972101.db2.gz FXHXKCUNMPFLNP-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000050121465 472982082 /nfs/dbraw/zinc/98/20/82/472982082.db2.gz QELGEXDYNRRPBW-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159410933 473025782 /nfs/dbraw/zinc/02/57/82/473025782.db2.gz QXGLAJHZLUYQPV-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159410933 473025786 /nfs/dbraw/zinc/02/57/86/473025786.db2.gz QXGLAJHZLUYQPV-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO Cc1c(C[NH+]2CCN(Cc3cscn3)CC2)cccc1[N+](=O)[O-] ZINC000065952742 473031675 /nfs/dbraw/zinc/03/16/75/473031675.db2.gz IGTXEYGLXFFJST-UHFFFAOYSA-N 1 2 332.429 2.678 20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135233743 473041187 /nfs/dbraw/zinc/04/11/87/473041187.db2.gz VBHDUKLLZJGSFB-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135233743 473041193 /nfs/dbraw/zinc/04/11/93/473041193.db2.gz VBHDUKLLZJGSFB-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051383104 473045450 /nfs/dbraw/zinc/04/54/50/473045450.db2.gz WVDONJZFELFBQT-UHFFFAOYSA-N 1 2 345.374 2.824 20 5 EFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051383104 473045453 /nfs/dbraw/zinc/04/54/53/473045453.db2.gz WVDONJZFELFBQT-UHFFFAOYSA-N 1 2 345.374 2.824 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)cn1 ZINC000051424308 473048895 /nfs/dbraw/zinc/04/88/95/473048895.db2.gz YKAGDRUAMOKHJC-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO Cc1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000080582959 473051346 /nfs/dbraw/zinc/05/13/46/473051346.db2.gz ONHVHRONOXCRTN-INIZCTEOSA-N 1 2 337.445 2.523 20 5 EFBDLO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)o1 ZINC000074727532 473052745 /nfs/dbraw/zinc/05/27/45/473052745.db2.gz GFPSZMYCEHEAAU-OAHLLOKOSA-N 1 2 346.387 2.685 20 5 EFBDLO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080606331 473055650 /nfs/dbraw/zinc/05/56/50/473055650.db2.gz MHAZFZPLONFGIH-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093280909 473072918 /nfs/dbraw/zinc/07/29/18/473072918.db2.gz UFGBUXYZUHDUGD-CYBMUJFWSA-N 1 2 349.431 2.675 20 5 EFBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093280909 473072924 /nfs/dbraw/zinc/07/29/24/473072924.db2.gz UFGBUXYZUHDUGD-CYBMUJFWSA-N 1 2 349.431 2.675 20 5 EFBDLO COCCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000122992732 473083785 /nfs/dbraw/zinc/08/37/85/473083785.db2.gz FRVSBTGUWOJEGT-UHFFFAOYSA-N 1 2 345.399 2.619 20 5 EFBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000052240625 473096838 /nfs/dbraw/zinc/09/68/38/473096838.db2.gz YGPRDCLPMAMIQR-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CC[C@]1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000135698178 473106496 /nfs/dbraw/zinc/10/64/96/473106496.db2.gz URWRYHBSPINLBJ-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@]1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000135698178 473106501 /nfs/dbraw/zinc/10/65/01/473106501.db2.gz URWRYHBSPINLBJ-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO CC(C)(O)C[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000123480208 473145764 /nfs/dbraw/zinc/14/57/64/473145764.db2.gz FPMXWZDLUUCURZ-UHFFFAOYSA-N 1 2 348.230 2.795 20 5 EFBDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000110563951 473164123 /nfs/dbraw/zinc/16/41/23/473164123.db2.gz BJAFCBDHBCPKJE-UHFFFAOYSA-N 1 2 343.431 2.869 20 5 EFBDLO O=C(C1CCCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066865909 473166632 /nfs/dbraw/zinc/16/66/32/473166632.db2.gz FCEQQBAPYUNFLK-UHFFFAOYSA-N 1 2 331.416 2.819 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000066868702 473167119 /nfs/dbraw/zinc/16/71/19/473167119.db2.gz SGNBEJBLKYOGJM-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000053143850 473187274 /nfs/dbraw/zinc/18/72/74/473187274.db2.gz UXUJQJVCSNFKIM-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000053143850 473187278 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EFBDLO C[C@@]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000172020051 473503668 /nfs/dbraw/zinc/50/36/68/473503668.db2.gz MRANFIJWCLCWAL-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126313653 473507090 /nfs/dbraw/zinc/50/70/90/473507090.db2.gz ZOGHZEVZGNNOTR-XHDPSFHLSA-N 1 2 332.335 2.654 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166338103 473525191 /nfs/dbraw/zinc/52/51/91/473525191.db2.gz QBCITUJQWZJUJQ-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1csc([N+](=O)[O-])c1)n2C ZINC000185833700 473526199 /nfs/dbraw/zinc/52/61/99/473526199.db2.gz ROXZWRUZSTWFLZ-UHFFFAOYSA-N 1 2 332.385 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000178580719 473533939 /nfs/dbraw/zinc/53/39/39/473533939.db2.gz QDXRXILHKQNAJQ-UONOGXRCSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000178580719 473533942 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AMONAIBEXMFIOF-CXAGYDPISA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000248863942 474462244 /nfs/dbraw/zinc/46/22/44/474462244.db2.gz AMONAIBEXMFIOF-CXAGYDPISA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1csc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000276260059 474472344 /nfs/dbraw/zinc/47/23/44/474472344.db2.gz AWVIGVPAMXKSPP-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283716983 474477703 /nfs/dbraw/zinc/47/77/03/474477703.db2.gz ASYFTIQQKSUCOP-SNVBAGLBSA-N 1 2 328.315 2.648 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283716983 474477711 /nfs/dbraw/zinc/47/77/11/474477711.db2.gz ASYFTIQQKSUCOP-SNVBAGLBSA-N 1 2 328.315 2.648 20 5 EFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000266855892 474505387 /nfs/dbraw/zinc/50/53/87/474505387.db2.gz YBTVTQYCEYOQDD-HNNXBMFYSA-N 1 2 343.387 2.797 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(F)c1 ZINC000267006404 474563808 /nfs/dbraw/zinc/56/38/08/474563808.db2.gz FZNQBXACQCPEJV-UHFFFAOYSA-N 1 2 336.392 2.903 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(F)c1 ZINC000267006404 474563815 /nfs/dbraw/zinc/56/38/15/474563815.db2.gz FZNQBXACQCPEJV-UHFFFAOYSA-N 1 2 336.392 2.903 20 5 EFBDLO CSC[C@@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267189773 474613263 /nfs/dbraw/zinc/61/32/63/474613263.db2.gz HEBLKMKOEVPDSC-INIZCTEOSA-N 1 2 348.428 2.886 20 5 EFBDLO COc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000272895632 474637050 /nfs/dbraw/zinc/63/70/50/474637050.db2.gz ZOAXZBKZSGVVMN-UHFFFAOYSA-N 1 2 345.359 2.669 20 5 EFBDLO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000278425210 474640909 /nfs/dbraw/zinc/64/09/09/474640909.db2.gz OZZJPYQFHZMNPL-UWVGGRQHSA-N 1 2 348.325 2.530 20 5 EFBDLO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])c1[nH]c2ccccc2[nH+]1 ZINC000337051893 474664472 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EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000338916474 474728660 /nfs/dbraw/zinc/72/86/60/474728660.db2.gz XZFSMPHSQGNULS-UHFFFAOYSA-N 1 2 333.413 2.680 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000338921797 474735078 /nfs/dbraw/zinc/73/50/78/474735078.db2.gz UYUQNWJDMOAKNW-UHFFFAOYSA-N 1 2 343.318 2.929 20 5 EFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340874248 474737335 /nfs/dbraw/zinc/73/73/35/474737335.db2.gz RMHPZGADEGWVAD-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@]1(C)COCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340874248 474737338 /nfs/dbraw/zinc/73/73/38/474737338.db2.gz RMHPZGADEGWVAD-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000273152707 474744447 /nfs/dbraw/zinc/74/44/47/474744447.db2.gz IGSNCSCTYXJLOQ-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO CCOc1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000273170073 474757388 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20 5 EFBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045399 474873242 /nfs/dbraw/zinc/87/32/42/474873242.db2.gz ONURQGGEPYZKKN-SJCJKPOMSA-N 1 2 344.367 2.940 20 5 EFBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045401 474873745 /nfs/dbraw/zinc/87/37/45/474873745.db2.gz ONURQGGEPYZKKN-SJKOYZFVSA-N 1 2 344.367 2.940 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000339053505 474883176 /nfs/dbraw/zinc/88/31/76/474883176.db2.gz AVIRARHSEWOESA-CHWSQXEVSA-N 1 2 334.294 2.578 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000339053505 474883181 /nfs/dbraw/zinc/88/31/81/474883181.db2.gz AVIRARHSEWOESA-CHWSQXEVSA-N 1 2 334.294 2.578 20 5 EFBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339054513 474884407 /nfs/dbraw/zinc/88/44/07/474884407.db2.gz QEOBEPVPHUEDHL-UHFFFAOYSA-N 1 2 328.368 2.910 20 5 EFBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339054513 474884415 /nfs/dbraw/zinc/88/44/15/474884415.db2.gz QEOBEPVPHUEDHL-UHFFFAOYSA-N 1 2 328.368 2.910 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000339062350 474892668 /nfs/dbraw/zinc/89/26/68/474892668.db2.gz CFZDCZBUMQBPSZ-SNVBAGLBSA-N 1 2 346.227 2.969 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000339062350 474892673 /nfs/dbraw/zinc/89/26/73/474892673.db2.gz CFZDCZBUMQBPSZ-SNVBAGLBSA-N 1 2 346.227 2.969 20 5 EFBDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000273456898 474908252 /nfs/dbraw/zinc/90/82/52/474908252.db2.gz ZAHCPZIEKSWPIB-QMHKHESXSA-N 1 2 336.388 2.943 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293297546 474914188 /nfs/dbraw/zinc/91/41/88/474914188.db2.gz DQEKTUHJNXVFMG-NSHDSACASA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293297546 474914200 /nfs/dbraw/zinc/91/42/00/474914200.db2.gz 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Cc1cccc2[nH+]c(Cn3cc(Br)c([N+](=O)[O-])n3)cn21 ZINC000348184242 475466261 /nfs/dbraw/zinc/46/62/61/475466261.db2.gz MFHZLWBNINPCIM-UHFFFAOYSA-N 1 2 336.149 2.558 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2cscn2)CC1 ZINC000352652047 475493415 /nfs/dbraw/zinc/49/34/15/475493415.db2.gz KXNZVYHMSDRDSD-HWKANZROSA-N 1 2 344.440 2.882 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000348226856 475503140 /nfs/dbraw/zinc/50/31/40/475503140.db2.gz FJLHRTCQEKSHAE-UHFFFAOYSA-N 1 2 333.369 2.650 20 5 EFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000342025476 475513667 /nfs/dbraw/zinc/51/36/67/475513667.db2.gz NEMDJMIGCJRLND-UHFFFAOYSA-N 1 2 328.353 2.976 20 5 EFBDLO O=C(C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000332136410 475526369 /nfs/dbraw/zinc/52/63/69/475526369.db2.gz PVKLAQMANLKFRF-UHFFFAOYSA-N 1 2 347.415 2.525 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339826489 475537249 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330.388 2.637 20 5 EFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000332394815 475624126 /nfs/dbraw/zinc/62/41/26/475624126.db2.gz OFPBILUCVBXYEG-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000332405999 475628668 /nfs/dbraw/zinc/62/86/68/475628668.db2.gz XTPHQSPEJLNWRZ-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332414445 475629908 /nfs/dbraw/zinc/62/99/08/475629908.db2.gz SYFGLIVMLAMZFT-NWDGAFQWSA-N 1 2 346.362 2.967 20 5 EFBDLO O=[N+]([O-])c1ccccc1C=CCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353124368 475698552 /nfs/dbraw/zinc/69/85/52/475698552.db2.gz JSVWPPZVAWSRKX-HWKANZROSA-N 1 2 335.367 2.782 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348574314 475766850 /nfs/dbraw/zinc/76/68/50/475766850.db2.gz GXEUODKEGSGYOO-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348574314 475766859 /nfs/dbraw/zinc/76/68/59/475766859.db2.gz GXEUODKEGSGYOO-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000348572994 475767144 /nfs/dbraw/zinc/76/71/44/475767144.db2.gz VABADNKCHXUHQU-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000348572994 475767153 /nfs/dbraw/zinc/76/71/53/475767153.db2.gz VABADNKCHXUHQU-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000340143677 475793926 /nfs/dbraw/zinc/79/39/26/475793926.db2.gz MFXXRTSSUZVAJN-UHFFFAOYSA-N 1 2 346.368 2.889 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358642577 475830131 /nfs/dbraw/zinc/83/01/31/475830131.db2.gz WVBMCZXOCIFQLV-UHFFFAOYSA-N 1 2 326.312 2.578 20 5 EFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000343234076 475875341 /nfs/dbraw/zinc/87/53/41/475875341.db2.gz AMLGVMATAHYPQZ-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO COc1cc2c(cc1C[N@@H+]1CCc3ccc([N+](=O)[O-])cc3C1)OCO2 ZINC000355373237 475879640 /nfs/dbraw/zinc/87/96/40/475879640.db2.gz SZMDWNMQZIPEGB-UHFFFAOYSA-N 1 2 342.351 2.890 20 5 EFBDLO COc1cc2c(cc1C[N@H+]1CCc3ccc([N+](=O)[O-])cc3C1)OCO2 ZINC000355373237 475879647 /nfs/dbraw/zinc/87/96/47/475879647.db2.gz SZMDWNMQZIPEGB-UHFFFAOYSA-N 1 2 342.351 2.890 20 5 EFBDLO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338420819 475887149 /nfs/dbraw/zinc/88/71/49/475887149.db2.gz GNJYDWGCXGALSE-AWEZNQCLSA-N 1 2 335.404 2.685 20 5 EFBDLO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338420819 475887156 /nfs/dbraw/zinc/88/71/56/475887156.db2.gz GNJYDWGCXGALSE-AWEZNQCLSA-N 1 2 335.404 2.685 20 5 EFBDLO CNc1c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000358760441 475914137 /nfs/dbraw/zinc/91/41/37/475914137.db2.gz DPNRPWJTLPLTIH-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO O=C(Nc1ccc(F)cc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340331723 475953214 /nfs/dbraw/zinc/95/32/14/475953214.db2.gz AFDHJUGFIMDPRV-UHFFFAOYSA-N 1 2 342.286 2.878 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000298019266 475955253 /nfs/dbraw/zinc/95/52/53/475955253.db2.gz ALVIXWXMKPNFCK-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000298019266 475955264 /nfs/dbraw/zinc/95/52/64/475955264.db2.gz ALVIXWXMKPNFCK-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO Cc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000362119526 476013712 /nfs/dbraw/zinc/01/37/12/476013712.db2.gz UYZURSZJGIWVHJ-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO Cn1ccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353512469 476034381 /nfs/dbraw/zinc/03/43/81/476034381.db2.gz CUBVQBVLWWPRCD-INIZCTEOSA-N 1 2 325.372 2.546 20 5 EFBDLO CCC(CC)[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531491 476053164 /nfs/dbraw/zinc/05/31/64/476053164.db2.gz VITWKUHGEHXPHP-DLBZAZTESA-N 1 2 346.431 2.804 20 5 EFBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000358957974 476070313 /nfs/dbraw/zinc/07/03/13/476070313.db2.gz XQUQHGRZDREIAD-SECBINFHSA-N 1 2 342.277 2.709 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000298393577 476078307 /nfs/dbraw/zinc/07/83/07/476078307.db2.gz FJHWLNJWGXKBGX-UHFFFAOYSA-N 1 2 345.237 2.830 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000340583093 476121566 /nfs/dbraw/zinc/12/15/66/476121566.db2.gz UMMCNAGWAMEXPM-CYBMUJFWSA-N 1 2 335.310 2.921 20 5 EFBDLO CCOC(=O)c1coc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000353659474 476165920 /nfs/dbraw/zinc/16/59/20/476165920.db2.gz LBCYMTFZHHBRAI-UHFFFAOYSA-N 1 2 330.340 2.923 20 5 EFBDLO CCOC(=O)c1coc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000353659474 476165931 /nfs/dbraw/zinc/16/59/31/476165931.db2.gz LBCYMTFZHHBRAI-UHFFFAOYSA-N 1 2 330.340 2.923 20 5 EFBDLO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000362324333 476170047 /nfs/dbraw/zinc/17/00/47/476170047.db2.gz QDFYLMXANGYNIZ-CQSZACIVSA-N 1 2 347.346 2.791 20 5 EFBDLO COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000362324333 476170061 /nfs/dbraw/zinc/17/00/61/476170061.db2.gz QDFYLMXANGYNIZ-CQSZACIVSA-N 1 2 347.346 2.791 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000353668032 476173276 /nfs/dbraw/zinc/17/32/76/476173276.db2.gz DZVMFQLGJWNPLB-CQSZACIVSA-N 1 2 348.321 2.883 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000353668032 476173286 /nfs/dbraw/zinc/17/32/86/476173286.db2.gz DZVMFQLGJWNPLB-CQSZACIVSA-N 1 2 348.321 2.883 20 5 EFBDLO Cc1noc(C)c1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350471238 476198153 /nfs/dbraw/zinc/19/81/53/476198153.db2.gz ALQVVVMCJFABLB-UHFFFAOYSA-N 1 2 346.387 2.644 20 5 EFBDLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000359616914 476252784 /nfs/dbraw/zinc/25/27/84/476252784.db2.gz DVBTZRNZUVDLRE-KRWDZBQOSA-N 1 2 345.443 2.990 20 5 EFBDLO CC(C)(C)CN1CCC[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000359616914 476252789 /nfs/dbraw/zinc/25/27/89/476252789.db2.gz DVBTZRNZUVDLRE-KRWDZBQOSA-N 1 2 345.443 2.990 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357131390 476253026 /nfs/dbraw/zinc/25/30/26/476253026.db2.gz JWPSCWZRHGHTLI-CYBMUJFWSA-N 1 2 332.385 2.774 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000353813840 476285768 /nfs/dbraw/zinc/28/57/68/476285768.db2.gz HYOAEMSYBWNGJS-DAOPMYJZSA-N 1 2 334.397 2.808 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000353813840 476285771 /nfs/dbraw/zinc/28/57/71/476285771.db2.gz HYOAEMSYBWNGJS-DAOPMYJZSA-N 1 2 334.397 2.808 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)s1 ZINC000350901744 476311604 /nfs/dbraw/zinc/31/16/04/476311604.db2.gz ZYRXOACFKBSXAW-UHFFFAOYSA-N 1 2 327.325 2.945 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000360595807 476312508 /nfs/dbraw/zinc/31/25/08/476312508.db2.gz LNWVULDKPDCTBH-AWEZNQCLSA-N 1 2 330.388 2.556 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351021396 476323980 /nfs/dbraw/zinc/32/39/80/476323980.db2.gz DZLCAPNYODFAMA-ZIAGYGMSSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351021396 476323982 /nfs/dbraw/zinc/32/39/82/476323982.db2.gz DZLCAPNYODFAMA-ZIAGYGMSSA-N 1 2 330.344 2.571 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000357353454 476342731 /nfs/dbraw/zinc/34/27/31/476342731.db2.gz MIWXPZXZRFEURM-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000357353454 476342734 /nfs/dbraw/zinc/34/27/34/476342734.db2.gz MIWXPZXZRFEURM-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1c(Cc2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286871 476396958 /nfs/dbraw/zinc/39/69/58/476396958.db2.gz PGRAWTJOBRTSAE-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1c(Cc2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286871 476396966 /nfs/dbraw/zinc/39/69/66/476396966.db2.gz PGRAWTJOBRTSAE-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000373788405 476428233 /nfs/dbraw/zinc/42/82/33/476428233.db2.gz RAUWNHXENWQZST-UHFFFAOYSA-N 1 2 329.360 2.792 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357612361 476487974 /nfs/dbraw/zinc/48/79/74/476487974.db2.gz YZMKYKCIOHBOHR-UHFFFAOYSA-N 1 2 336.307 2.919 20 5 EFBDLO Cc1[nH]nc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c1[N+](=O)[O-] ZINC000360937374 476489931 /nfs/dbraw/zinc/48/99/31/476489931.db2.gz KCKUDLZGNBJWPV-UHFFFAOYSA-N 1 2 340.343 2.681 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3csc([N+](=O)[O-])c3)n2)c1 ZINC000362964486 476507124 /nfs/dbraw/zinc/50/71/24/476507124.db2.gz UZEXJKPIDPPEIE-JTQLQIEISA-N 1 2 344.400 2.996 20 5 EFBDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351980902 476512360 /nfs/dbraw/zinc/51/23/60/476512360.db2.gz GAKTXYQRSZRGHS-DOMZBBRYSA-N 1 2 339.823 2.543 20 5 EFBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000369821683 476542463 /nfs/dbraw/zinc/54/24/63/476542463.db2.gz HCVGHXANYYNSQY-LLVKDONJSA-N 1 2 335.433 2.857 20 5 EFBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000369821683 476542471 /nfs/dbraw/zinc/54/24/71/476542471.db2.gz HCVGHXANYYNSQY-LLVKDONJSA-N 1 2 335.433 2.857 20 5 EFBDLO NC(=O)c1cccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000361058420 476573429 /nfs/dbraw/zinc/57/34/29/476573429.db2.gz PQCOBNQTINZZOM-UHFFFAOYSA-N 1 2 337.339 2.696 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361125116 476617924 /nfs/dbraw/zinc/61/79/24/476617924.db2.gz HYVIPJQWOBDBPO-KRWDZBQOSA-N 1 2 338.379 2.894 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361125116 476617931 /nfs/dbraw/zinc/61/79/31/476617931.db2.gz HYVIPJQWOBDBPO-KRWDZBQOSA-N 1 2 338.379 2.894 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c2c(c1)COCO2 ZINC000375005391 476631683 /nfs/dbraw/zinc/63/16/83/476631683.db2.gz NXIBIFPVGZYNAN-AWEZNQCLSA-N 1 2 330.344 2.522 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000352320483 476634296 /nfs/dbraw/zinc/63/42/96/476634296.db2.gz QNHNPSFUTSBXGJ-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO Cc1ccc(C)c(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000370044701 476645488 /nfs/dbraw/zinc/64/54/88/476645488.db2.gz GWWNVDGQYOMMLX-UHFFFAOYSA-N 1 2 344.415 2.989 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000370119252 476673566 /nfs/dbraw/zinc/67/35/66/476673566.db2.gz FVIIYPHEIPGJPM-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000370160574 476682148 /nfs/dbraw/zinc/68/21/48/476682148.db2.gz JMIPCUAOTQFMFM-CYBMUJFWSA-N 1 2 338.389 2.605 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC000365771227 476691501 /nfs/dbraw/zinc/69/15/01/476691501.db2.gz MAHPFPYUWVXDAR-ZIAGYGMSSA-N 1 2 326.356 2.795 20 5 EFBDLO O=C(NCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451941708 476736739 /nfs/dbraw/zinc/73/67/39/476736739.db2.gz OSDUCRPSUONNHG-UHFFFAOYSA-N 1 2 336.298 2.556 20 5 EFBDLO Cc1cc(C)c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000456839331 476758135 /nfs/dbraw/zinc/75/81/35/476758135.db2.gz MPPHODITLIZHNT-UHFFFAOYSA-N 1 2 329.356 2.610 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000430209057 476782242 /nfs/dbraw/zinc/78/22/42/476782242.db2.gz WLOHUDNJKRZNRA-KRWDZBQOSA-N 1 2 328.368 2.695 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000430209057 476782249 /nfs/dbraw/zinc/78/22/49/476782249.db2.gz 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CC[C@H](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452416422 476956369 /nfs/dbraw/zinc/95/63/69/476956369.db2.gz DRBQNAWHPWPRFY-LRDDRELGSA-N 1 2 346.387 2.571 20 5 EFBDLO C[NH+](C)Cc1csc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000457313172 476969449 /nfs/dbraw/zinc/96/94/49/476969449.db2.gz MBMCQJPOZPMLKH-UHFFFAOYSA-N 1 2 334.401 2.684 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000452452080 476971330 /nfs/dbraw/zinc/97/13/30/476971330.db2.gz NEPFYPMXTMWSNS-HNNXBMFYSA-N 1 2 346.362 2.620 20 5 EFBDLO C[C@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000416114969 477024336 /nfs/dbraw/zinc/02/43/36/477024336.db2.gz MNEZETZXVBIZHO-JHJVBQTASA-N 1 2 328.372 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(-n4cc[nH+]c4)c3)nc2c1 ZINC000447687433 477037236 /nfs/dbraw/zinc/03/72/36/477037236.db2.gz UHRXCODNYQQGAR-UHFFFAOYSA-N 1 2 334.339 2.691 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCC2 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O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000376055541 477152081 /nfs/dbraw/zinc/15/20/81/477152081.db2.gz ROKWAVZEXYZLBX-UHFFFAOYSA-N 1 2 337.426 2.506 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000376055541 477152084 /nfs/dbraw/zinc/15/20/84/477152084.db2.gz ROKWAVZEXYZLBX-UHFFFAOYSA-N 1 2 337.426 2.506 20 5 EFBDLO Cc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000366809735 477199257 /nfs/dbraw/zinc/19/92/57/477199257.db2.gz MBULFDKETZUWEE-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO Cc1c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000366856395 477223826 /nfs/dbraw/zinc/22/38/26/477223826.db2.gz XXJDBTFFTVDDKZ-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000376221941 477235861 /nfs/dbraw/zinc/23/58/61/477235861.db2.gz OINXYUSWKGPZQM-UHFFFAOYSA-N 1 2 330.373 2.638 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000453603110 477248818 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C[C@@H]1C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000413534618 477718104 /nfs/dbraw/zinc/71/81/04/477718104.db2.gz PCDDUXZABJOGQF-IIAWOOMASA-N 1 2 349.431 2.652 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCCC2 ZINC000450796690 477720120 /nfs/dbraw/zinc/72/01/20/477720120.db2.gz WAZDGRMKSOXUJX-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372293454 477740819 /nfs/dbraw/zinc/74/08/19/477740819.db2.gz DTYIYKNEIQUBMJ-UKRRQHHQSA-N 1 2 347.415 2.813 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372293454 477740827 /nfs/dbraw/zinc/74/08/27/477740827.db2.gz DTYIYKNEIQUBMJ-UKRRQHHQSA-N 1 2 347.415 2.813 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000456174524 477806852 /nfs/dbraw/zinc/80/68/52/477806852.db2.gz HADPWUOIDMEMGU-UHFFFAOYSA-N 1 2 347.375 2.717 20 5 EFBDLO CC[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](CC)O1 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CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456415928 477923539 /nfs/dbraw/zinc/92/35/39/477923539.db2.gz JPBPGSKZTRZIGP-WDEREUQCSA-N 1 2 330.344 2.626 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456425481 477927702 /nfs/dbraw/zinc/92/77/02/477927702.db2.gz QANCUOXHXYSGAX-AAEUAGOBSA-N 1 2 328.372 2.891 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739886 477928322 /nfs/dbraw/zinc/92/83/22/477928322.db2.gz XDEOFZWOOSFMNX-KRWDZBQOSA-N 1 2 328.368 2.983 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739886 477928332 /nfs/dbraw/zinc/92/83/32/477928332.db2.gz XDEOFZWOOSFMNX-KRWDZBQOSA-N 1 2 328.368 2.983 20 5 EFBDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000494285772 477960253 /nfs/dbraw/zinc/96/02/53/477960253.db2.gz STYSODPOEIWBMZ-LLVKDONJSA-N 1 2 327.331 2.901 20 5 EFBDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000494285772 477960256 /nfs/dbraw/zinc/96/02/56/477960256.db2.gz STYSODPOEIWBMZ-LLVKDONJSA-N 1 2 327.331 2.901 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421102541 477962381 /nfs/dbraw/zinc/96/23/81/477962381.db2.gz WEGLJEXBRDAINS-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO CCOC1(C)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000428739363 477972573 /nfs/dbraw/zinc/97/25/73/477972573.db2.gz HXCKXEGKEYTWOW-UHFFFAOYSA-N 1 2 335.404 2.733 20 5 EFBDLO COc1cc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000451400241 477993687 /nfs/dbraw/zinc/99/36/87/477993687.db2.gz ABTZLKATNSLCNZ-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451409682 477998535 /nfs/dbraw/zinc/99/85/35/477998535.db2.gz HNBFXTMTTOOAHC-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO C[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451433118 478017402 /nfs/dbraw/zinc/01/74/02/478017402.db2.gz QXPWMIQDJUTORI-JSGCOSHPSA-N 1 2 328.372 2.947 20 5 EFBDLO COc1cc(C[NH2+]Cc2ccc(C)c(C)n2)c([N+](=O)[O-])cc1OC ZINC000459672457 478034123 /nfs/dbraw/zinc/03/41/23/478034123.db2.gz QMTMLWXXMJIUSU-UHFFFAOYSA-N 1 2 331.372 2.914 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494714023 478053763 /nfs/dbraw/zinc/05/37/63/478053763.db2.gz YQNCGNZLINJZLA-OAHLLOKOSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494714023 478053769 /nfs/dbraw/zinc/05/37/69/478053769.db2.gz YQNCGNZLINJZLA-OAHLLOKOSA-N 1 2 347.415 2.733 20 5 EFBDLO COCc1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451547263 478082938 /nfs/dbraw/zinc/08/29/38/478082938.db2.gz KYIWNAPMIKCNGO-CYBMUJFWSA-N 1 2 332.360 2.504 20 5 EFBDLO COCc1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451547263 478082944 /nfs/dbraw/zinc/08/29/44/478082944.db2.gz KYIWNAPMIKCNGO-CYBMUJFWSA-N 1 2 332.360 2.504 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000421446192 478090862 /nfs/dbraw/zinc/09/08/62/478090862.db2.gz DRSGSQVTWHZEAL-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1(C)C ZINC000451565216 478097168 /nfs/dbraw/zinc/09/71/68/478097168.db2.gz MYDOXBIOBCRRJG-AWEZNQCLSA-N 1 2 335.404 2.589 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1(C)C ZINC000451565216 478097172 /nfs/dbraw/zinc/09/71/72/478097172.db2.gz MYDOXBIOBCRRJG-AWEZNQCLSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000487991965 478101916 /nfs/dbraw/zinc/10/19/16/478101916.db2.gz WXEBUSJYNCFPQE-CYBMUJFWSA-N 1 2 338.367 2.971 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574148 478103162 /nfs/dbraw/zinc/10/31/62/478103162.db2.gz RFTOEPMQFFMPJJ-QMTHXVAHSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574148 478103170 /nfs/dbraw/zinc/10/31/70/478103170.db2.gz RFTOEPMQFFMPJJ-QMTHXVAHSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451577648 478106333 /nfs/dbraw/zinc/10/63/33/478106333.db2.gz VUZBRLQZUAVFAS-HZMBPMFUSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451577648 478106337 /nfs/dbraw/zinc/10/63/37/478106337.db2.gz VUZBRLQZUAVFAS-HZMBPMFUSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429331042 478114524 /nfs/dbraw/zinc/11/45/24/478114524.db2.gz NFHKBQJOSQHKDV-LBPRGKRZSA-N 1 2 329.360 2.545 20 5 EFBDLO CCC[C@@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488174724 478125489 /nfs/dbraw/zinc/12/54/89/478125489.db2.gz HEHWAXSMUJPKTC-QGZVFWFLSA-N 1 2 330.388 2.745 20 5 EFBDLO CCC[C@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488174723 478126398 /nfs/dbraw/zinc/12/63/98/478126398.db2.gz HEHWAXSMUJPKTC-KRWDZBQOSA-N 1 2 330.388 2.745 20 5 EFBDLO C[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000518283241 478155217 /nfs/dbraw/zinc/15/52/17/478155217.db2.gz NKWRYCANVOFNDI-CQSZACIVSA-N 1 2 339.395 2.966 20 5 EFBDLO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000518283241 478155220 /nfs/dbraw/zinc/15/52/20/478155220.db2.gz NKWRYCANVOFNDI-CQSZACIVSA-N 1 2 339.395 2.966 20 5 EFBDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741875 478177454 /nfs/dbraw/zinc/17/74/54/478177454.db2.gz CSDUQBPKHKQTNW-CABCVRRESA-N 1 2 346.431 2.734 20 5 EFBDLO CC(C)CN1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741875 478177461 /nfs/dbraw/zinc/17/74/61/478177461.db2.gz CSDUQBPKHKQTNW-CABCVRRESA-N 1 2 346.431 2.734 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000562300713 478229694 /nfs/dbraw/zinc/22/96/94/478229694.db2.gz FKBSZQAHKYSVCS-ZFWWWQNUSA-N 1 2 342.399 2.897 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000536017664 478239534 /nfs/dbraw/zinc/23/95/34/478239534.db2.gz LYVPSOAHEUNWAT-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CCCC2)OC1=O ZINC000495614385 478246361 /nfs/dbraw/zinc/24/63/61/478246361.db2.gz XUPHQAMQBDNTHP-UHFFFAOYSA-N 1 2 333.388 2.792 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CCCC2)OC1=O ZINC000495614385 478246364 /nfs/dbraw/zinc/24/63/64/478246364.db2.gz XUPHQAMQBDNTHP-UHFFFAOYSA-N 1 2 333.388 2.792 20 5 EFBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489475435 478248911 /nfs/dbraw/zinc/24/89/11/478248911.db2.gz SRNXQRMEPHXFEF-SMDDNHRTSA-N 1 2 328.796 2.874 20 5 EFBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489475435 478248913 /nfs/dbraw/zinc/24/89/13/478248913.db2.gz SRNXQRMEPHXFEF-SMDDNHRTSA-N 1 2 328.796 2.874 20 5 EFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600190984 478273607 /nfs/dbraw/zinc/27/36/07/478273607.db2.gz KTHICFPGRAHVDO-AOOOYVTPSA-N 1 2 344.152 2.651 20 5 EFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600190984 478273618 /nfs/dbraw/zinc/27/36/18/478273618.db2.gz KTHICFPGRAHVDO-AOOOYVTPSA-N 1 2 344.152 2.651 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754700 478320632 /nfs/dbraw/zinc/32/06/32/478320632.db2.gz PEQLAWYGRYQALU-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754700 478320638 /nfs/dbraw/zinc/32/06/38/478320638.db2.gz PEQLAWYGRYQALU-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594513644 478421227 /nfs/dbraw/zinc/42/12/27/478421227.db2.gz FDFBGYPBXVTMHE-XYOKQWHBSA-N 1 2 330.392 2.529 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1cn2ccccc2[nH+]1 ZINC000491061054 478433916 /nfs/dbraw/zinc/43/39/16/478433916.db2.gz MXDCZUCUCGTSJW-FPLPWBNLSA-N 1 2 336.351 2.615 20 5 EFBDLO CNC(=O)c1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594595020 478454588 /nfs/dbraw/zinc/45/45/88/478454588.db2.gz FJRABCFGFJWBCE-UHFFFAOYSA-N 1 2 328.372 2.621 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCN(c4nccs4)CC3)c2c1 ZINC000591137318 478473086 /nfs/dbraw/zinc/47/30/86/478473086.db2.gz IPJHTSFQPCXNOV-UHFFFAOYSA-N 1 2 341.396 2.926 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000591149605 478475733 /nfs/dbraw/zinc/47/57/33/478475733.db2.gz NHGAQCPBJUUVNR-JKSUJKDBSA-N 1 2 329.356 2.527 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597727882 478483359 /nfs/dbraw/zinc/48/33/59/478483359.db2.gz PILBOQVTQGGSEE-CHWSQXEVSA-N 1 2 343.387 2.891 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC000563284832 478506582 /nfs/dbraw/zinc/50/65/82/478506582.db2.gz KGHSXZOPULGVKR-UHFFFAOYSA-N 1 2 341.371 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc(CO)c(-c2ccc(N3CCSCC3)[nH+]c2)c1 ZINC000600782946 478519496 /nfs/dbraw/zinc/51/94/96/478519496.db2.gz OQKDWHMCFMCADM-UHFFFAOYSA-N 1 2 331.397 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)cc1 ZINC000571132826 478525859 /nfs/dbraw/zinc/52/58/59/478525859.db2.gz IENBXXHAJMQSMU-UHFFFAOYSA-N 1 2 329.337 2.944 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379733 478542334 /nfs/dbraw/zinc/54/23/34/478542334.db2.gz WUXKDDIDRWHUSK-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379733 478542339 /nfs/dbraw/zinc/54/23/39/478542339.db2.gz WUXKDDIDRWHUSK-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO O=c1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc(C2CC2)[nH]1 ZINC000571261840 478552916 /nfs/dbraw/zinc/55/29/16/478552916.db2.gz KSUJINFOUNSDFE-UHFFFAOYSA-N 1 2 326.356 2.526 20 5 EFBDLO O=c1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc(C2CC2)[nH]1 ZINC000571261840 478552926 /nfs/dbraw/zinc/55/29/26/478552926.db2.gz KSUJINFOUNSDFE-UHFFFAOYSA-N 1 2 326.356 2.526 20 5 EFBDLO CC[C@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](CC)O1 ZINC000591505205 478570347 /nfs/dbraw/zinc/57/03/47/478570347.db2.gz LKIONUYULDWXQY-KBPBESRZSA-N 1 2 336.388 2.755 20 5 EFBDLO Cc1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597939875 478587870 /nfs/dbraw/zinc/58/78/70/478587870.db2.gz DAZNTGSNVAJZJW-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cn21 ZINC000491643204 478612830 /nfs/dbraw/zinc/61/28/30/478612830.db2.gz NWHWFEBCXNOWTE-HJWRWDBZSA-N 1 2 336.351 2.881 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000563667354 478613381 /nfs/dbraw/zinc/61/33/81/478613381.db2.gz RHOFQLCRYWACFR-AWEZNQCLSA-N 1 2 345.384 2.532 20 5 EFBDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020464 478631267 /nfs/dbraw/zinc/63/12/67/478631267.db2.gz YVYSDPVXYWKFRW-WBMJQRKESA-N 1 2 346.383 2.996 20 5 EFBDLO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020463 478631732 /nfs/dbraw/zinc/63/17/32/478631732.db2.gz YVYSDPVXYWKFRW-MLGOLLRUSA-N 1 2 346.383 2.996 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000595049925 478641510 /nfs/dbraw/zinc/64/15/10/478641510.db2.gz KSJLJYVYGHZXCC-LBPRGKRZSA-N 1 2 330.388 2.915 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)c1 ZINC000595290574 478715073 /nfs/dbraw/zinc/71/50/73/478715073.db2.gz MCEJQFWTFSJDAI-UHFFFAOYSA-N 1 2 328.372 2.782 20 5 EFBDLO Cc1noc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595291751 478718258 /nfs/dbraw/zinc/71/82/58/478718258.db2.gz NAJSXJPQYMMEBP-UHFFFAOYSA-N 1 2 336.779 2.867 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000595337404 478736472 /nfs/dbraw/zinc/73/64/72/478736472.db2.gz LUNHUSUYQDILJP-HZPDHXFCSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000595337404 478736485 /nfs/dbraw/zinc/73/64/85/478736485.db2.gz LUNHUSUYQDILJP-HZPDHXFCSA-N 1 2 337.395 2.955 20 5 EFBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595351659 478742890 /nfs/dbraw/zinc/74/28/90/478742890.db2.gz MWHBTTJWVJEBLF-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1noc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000595353973 478743819 /nfs/dbraw/zinc/74/38/19/478743819.db2.gz KUPICOIHVBQMKZ-UHFFFAOYSA-N 1 2 345.355 2.692 20 5 EFBDLO CC1(F)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000601245992 478745273 /nfs/dbraw/zinc/74/52/73/478745273.db2.gz JFPFTSQGHRWVIJ-UHFFFAOYSA-N 1 2 337.395 2.755 20 5 EFBDLO Cc1noc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595376144 478754287 /nfs/dbraw/zinc/75/42/87/478754287.db2.gz YRMHWDAFUGGYCH-HNNXBMFYSA-N 1 2 331.372 2.763 20 5 EFBDLO Cc1noc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595376144 478754293 /nfs/dbraw/zinc/75/42/93/478754293.db2.gz YRMHWDAFUGGYCH-HNNXBMFYSA-N 1 2 331.372 2.763 20 5 EFBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000595421849 478769525 /nfs/dbraw/zinc/76/95/25/478769525.db2.gz WFXIFKLVEUZLSQ-GFCCVEGCSA-N 1 2 327.287 2.647 20 5 EFBDLO Cc1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1[N+](=O)[O-] ZINC000595424200 478772028 /nfs/dbraw/zinc/77/20/28/478772028.db2.gz PEFWENRRCXRKCF-INIZCTEOSA-N 1 2 345.355 2.903 20 5 EFBDLO Cc1noc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595428405 478775286 /nfs/dbraw/zinc/77/52/86/478775286.db2.gz CCZNFJNKBWMFTJ-LLVKDONJSA-N 1 2 345.277 2.733 20 5 EFBDLO Cc1noc(C[NH+]2CCC(Oc3ncccc3C)CC2)c1[N+](=O)[O-] ZINC000595460755 478798060 /nfs/dbraw/zinc/79/80/60/478798060.db2.gz HBRWOQVGYPAQMP-UHFFFAOYSA-N 1 2 332.360 2.638 20 5 EFBDLO O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492055129 478802772 /nfs/dbraw/zinc/80/27/72/478802772.db2.gz BLPZDGVULQZSRZ-DUXPYHPUSA-N 1 2 344.346 2.876 20 5 EFBDLO O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492055129 478802777 /nfs/dbraw/zinc/80/27/77/478802777.db2.gz BLPZDGVULQZSRZ-DUXPYHPUSA-N 1 2 344.346 2.876 20 5 EFBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595491624 478817866 /nfs/dbraw/zinc/81/78/66/478817866.db2.gz SXGGLGWDVLDSMH-UHFFFAOYSA-N 1 2 329.356 2.947 20 5 EFBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595491624 478817869 /nfs/dbraw/zinc/81/78/69/478817869.db2.gz SXGGLGWDVLDSMH-UHFFFAOYSA-N 1 2 329.356 2.947 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595499317 478820696 /nfs/dbraw/zinc/82/06/96/478820696.db2.gz FQBYKSHRHILALH-INIZCTEOSA-N 1 2 331.372 2.885 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192218 478820991 /nfs/dbraw/zinc/82/09/91/478820991.db2.gz HAOBCVBUMCLGDZ-KBPBESRZSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192218 478820996 /nfs/dbraw/zinc/82/09/96/478820996.db2.gz HAOBCVBUMCLGDZ-KBPBESRZSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000592190142 478821319 /nfs/dbraw/zinc/82/13/19/478821319.db2.gz ZTMAGSRNVDDZMS-CYBMUJFWSA-N 1 2 348.399 2.995 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000592190142 478821327 /nfs/dbraw/zinc/82/13/27/478821327.db2.gz ZTMAGSRNVDDZMS-CYBMUJFWSA-N 1 2 348.399 2.995 20 5 EFBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492102330 478823842 /nfs/dbraw/zinc/82/38/42/478823842.db2.gz GQEQNULDCCJCFC-PLNGDYQASA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492102330 478823846 /nfs/dbraw/zinc/82/38/46/478823846.db2.gz GQEQNULDCCJCFC-PLNGDYQASA-N 1 2 326.356 2.737 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595510202 478827846 /nfs/dbraw/zinc/82/78/46/478827846.db2.gz LDLWTTIATXYJHP-UHFFFAOYSA-N 1 2 346.387 2.828 20 5 EFBDLO C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598460201 478835711 /nfs/dbraw/zinc/83/57/11/478835711.db2.gz SNFKJYLRGOGHFK-QWRGUYRKSA-N 1 2 334.401 2.686 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465430 478837713 /nfs/dbraw/zinc/83/77/13/478837713.db2.gz RWBAZBXEWJWOHW-SNVBAGLBSA-N 1 2 334.401 2.931 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000583510047 478870920 /nfs/dbraw/zinc/87/09/20/478870920.db2.gz FLZGPISWQKACEW-AWEZNQCLSA-N 1 2 327.388 2.690 20 5 EFBDLO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000598510838 478871610 /nfs/dbraw/zinc/87/16/10/478871610.db2.gz QKKLIBPOGWAGTI-ZDUSSCGKSA-N 1 2 331.397 2.661 20 5 EFBDLO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000598510838 478871618 /nfs/dbraw/zinc/87/16/18/478871618.db2.gz QKKLIBPOGWAGTI-ZDUSSCGKSA-N 1 2 331.397 2.661 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527537 478933747 /nfs/dbraw/zinc/93/37/47/478933747.db2.gz BQTJVRWNYOASNS-LBPRGKRZSA-N 1 2 334.372 2.509 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527537 478933754 /nfs/dbraw/zinc/93/37/54/478933754.db2.gz BQTJVRWNYOASNS-LBPRGKRZSA-N 1 2 334.372 2.509 20 5 EFBDLO Cc1cc(N2CC[C@H](C)[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598633476 478935463 /nfs/dbraw/zinc/93/54/63/478935463.db2.gz AEVUDMRBVJMZIU-WFASDCNBSA-N 1 2 342.399 2.815 20 5 EFBDLO CC(C)c1nc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000509474809 478952380 /nfs/dbraw/zinc/95/23/80/478952380.db2.gz CCNQXJSWWMNVLK-UHFFFAOYSA-N 1 2 344.419 2.648 20 5 EFBDLO CC(C)c1nc(N(C)C)nc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000509474809 478952387 /nfs/dbraw/zinc/95/23/87/478952387.db2.gz CCNQXJSWWMNVLK-UHFFFAOYSA-N 1 2 344.419 2.648 20 5 EFBDLO Cc1cccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000583922947 478972062 /nfs/dbraw/zinc/97/20/62/478972062.db2.gz LSGALGVHCMKFBE-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492413080 478975907 /nfs/dbraw/zinc/97/59/07/478975907.db2.gz XASSQLSMSNFDGR-WAYWQWQTSA-N 1 2 334.763 2.794 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000512687203 479002762 /nfs/dbraw/zinc/00/27/62/479002762.db2.gz ODGFPZGAZULNCD-HOTGVXAUSA-N 1 2 331.416 2.961 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000512687203 479002765 /nfs/dbraw/zinc/00/27/65/479002765.db2.gz ODGFPZGAZULNCD-HOTGVXAUSA-N 1 2 331.416 2.961 20 5 EFBDLO CC1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000601870763 479050460 /nfs/dbraw/zinc/05/04/60/479050460.db2.gz ZUFGKGGEOQTHSA-UHFFFAOYSA-N 1 2 332.335 2.745 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1=CCSC1 ZINC000595887921 479052392 /nfs/dbraw/zinc/05/23/92/479052392.db2.gz HWMMPSBOKFAATL-UHFFFAOYSA-N 1 2 341.820 2.792 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1=CCSC1 ZINC000595887921 479052396 /nfs/dbraw/zinc/05/23/96/479052396.db2.gz HWMMPSBOKFAATL-UHFFFAOYSA-N 1 2 341.820 2.792 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1=CCSC1 ZINC000595889705 479054831 /nfs/dbraw/zinc/05/48/31/479054831.db2.gz VOGKBTNJFCJGGO-UHFFFAOYSA-N 1 2 341.820 2.792 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1=CCSC1 ZINC000595889705 479054839 /nfs/dbraw/zinc/05/48/39/479054839.db2.gz VOGKBTNJFCJGGO-UHFFFAOYSA-N 1 2 341.820 2.792 20 5 EFBDLO CC(C)Oc1nc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000584421633 479130709 /nfs/dbraw/zinc/13/07/09/479130709.db2.gz XYLMZXDHDGXCOP-UHFFFAOYSA-N 1 2 343.387 2.938 20 5 EFBDLO C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)n1cc[nH+]c1 ZINC000593028173 479131613 /nfs/dbraw/zinc/13/16/13/479131613.db2.gz LLIGHTDDZZZQSC-SECBINFHSA-N 1 2 340.286 2.983 20 5 EFBDLO Cc1nnc2n1C[C@H](CNc1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599038857 479134525 /nfs/dbraw/zinc/13/45/25/479134525.db2.gz MQAJYFVFJPJHBR-LBPRGKRZSA-N 1 2 338.371 2.717 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057698 479148953 /nfs/dbraw/zinc/14/89/53/479148953.db2.gz HBDXZHRCDMOJHP-HIFRSBDPSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057698 479148957 /nfs/dbraw/zinc/14/89/57/479148957.db2.gz HBDXZHRCDMOJHP-HIFRSBDPSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593057969 479149338 /nfs/dbraw/zinc/14/93/38/479149338.db2.gz YIWAPHZWWQNTCG-AWEZNQCLSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593057969 479149343 /nfs/dbraw/zinc/14/93/43/479149343.db2.gz YIWAPHZWWQNTCG-AWEZNQCLSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](CC)CO1 ZINC000593060088 479149864 /nfs/dbraw/zinc/14/98/64/479149864.db2.gz XRTLOVCZXZXYIS-HOCLYGCPSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](CC)CO1 ZINC000593060088 479149870 /nfs/dbraw/zinc/14/98/70/479149870.db2.gz XRTLOVCZXZXYIS-HOCLYGCPSA-N 1 2 336.388 2.851 20 5 EFBDLO Cn1c(CCCNc2c(Cl)cncc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000596146714 479162579 /nfs/dbraw/zinc/16/25/79/479162579.db2.gz HZTPSJYLWANBEQ-UHFFFAOYSA-N 1 2 345.790 2.997 20 5 EFBDLO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000599133645 479174854 /nfs/dbraw/zinc/17/48/54/479174854.db2.gz KFXNMJUXDBZGBF-ZDUSSCGKSA-N 1 2 336.342 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCC[N@H+]2CC(F)F)c1 ZINC000599133645 479174863 /nfs/dbraw/zinc/17/48/63/479174863.db2.gz KFXNMJUXDBZGBF-ZDUSSCGKSA-N 1 2 336.342 2.706 20 5 EFBDLO O=c1[nH]ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000596191352 479190664 /nfs/dbraw/zinc/19/06/64/479190664.db2.gz PWUVOSKKJBVYDV-UHFFFAOYSA-N 1 2 331.376 2.589 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610859601 479210806 /nfs/dbraw/zinc/21/08/06/479210806.db2.gz ARIBHMVRVSTNBJ-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610859601 479210809 /nfs/dbraw/zinc/21/08/09/479210809.db2.gz ARIBHMVRVSTNBJ-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000593166619 479214315 /nfs/dbraw/zinc/21/43/15/479214315.db2.gz DWWGOSCFMOXBBJ-HNNXBMFYSA-N 1 2 346.362 2.620 20 5 EFBDLO Nc1c(F)c(NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000596356140 479264264 /nfs/dbraw/zinc/26/42/64/479264264.db2.gz GNSAKCOPCYZJKJ-UHFFFAOYSA-N 1 2 331.351 2.923 20 5 EFBDLO Cc1cc(N2CCc3c[nH]nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611132992 479291076 /nfs/dbraw/zinc/29/10/76/479291076.db2.gz ABQJIHUBFQFUMA-UHFFFAOYSA-N 1 2 336.355 2.646 20 5 EFBDLO CCc1cc(N[C@@H](C)C2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596438231 479295389 /nfs/dbraw/zinc/29/53/89/479295389.db2.gz QLXVTAZBYGSNCN-LBPRGKRZSA-N 1 2 342.399 2.609 20 5 EFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000557657220 479299253 /nfs/dbraw/zinc/29/92/53/479299253.db2.gz JDXYIWVQQFSPMB-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C1[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611177072 479301795 /nfs/dbraw/zinc/30/17/95/479301795.db2.gz NGXYOSPNRFZAIT-MFKMUULPSA-N 1 2 343.305 2.584 20 5 EFBDLO O=C1[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611177072 479301801 /nfs/dbraw/zinc/30/18/01/479301801.db2.gz NGXYOSPNRFZAIT-MFKMUULPSA-N 1 2 343.305 2.584 20 5 EFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602425912 479324701 /nfs/dbraw/zinc/32/47/01/479324701.db2.gz YCNVADBXADQLDF-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602425912 479324707 /nfs/dbraw/zinc/32/47/07/479324707.db2.gz YCNVADBXADQLDF-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO O=C1CCCN1C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596525327 479327937 /nfs/dbraw/zinc/32/79/37/479327937.db2.gz NKISPLFQCCJZNW-ZDUSSCGKSA-N 1 2 340.383 2.592 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000611263423 479328746 /nfs/dbraw/zinc/32/87/46/479328746.db2.gz CPSYSCQAUSNWQC-HZPDHXFCSA-N 1 2 339.395 2.869 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552113 479330182 /nfs/dbraw/zinc/33/01/82/479330182.db2.gz VOQUCPWZXBWWSX-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599552113 479330185 /nfs/dbraw/zinc/33/01/85/479330185.db2.gz VOQUCPWZXBWWSX-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc2c(cn1)OCCO2)C1CC1 ZINC000602439237 479332957 /nfs/dbraw/zinc/33/29/57/479332957.db2.gz JPAVDURADGPUIQ-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc2c(cn1)OCCO2)C1CC1 ZINC000602439237 479332964 /nfs/dbraw/zinc/33/29/64/479332964.db2.gz JPAVDURADGPUIQ-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO CC(C)C[N@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602443238 479334940 /nfs/dbraw/zinc/33/49/40/479334940.db2.gz BIKNSOYGCAGKIP-UHFFFAOYSA-N 1 2 333.310 2.557 20 5 EFBDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602443238 479334946 /nfs/dbraw/zinc/33/49/46/479334946.db2.gz BIKNSOYGCAGKIP-UHFFFAOYSA-N 1 2 333.310 2.557 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000574729518 479337692 /nfs/dbraw/zinc/33/76/92/479337692.db2.gz RNIXLFCOVPRREV-YOEHRIQHSA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000574729518 479337698 /nfs/dbraw/zinc/33/76/98/479337698.db2.gz RNIXLFCOVPRREV-YOEHRIQHSA-N 1 2 347.415 2.731 20 5 EFBDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602468678 479351295 /nfs/dbraw/zinc/35/12/95/479351295.db2.gz PMZBEOKFUSIUAP-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602468678 479351298 /nfs/dbraw/zinc/35/12/98/479351298.db2.gz PMZBEOKFUSIUAP-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599617185 479354713 /nfs/dbraw/zinc/35/47/13/479354713.db2.gz GDKWQJIJMVVMFK-UHFFFAOYSA-N 1 2 340.383 2.699 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599617185 479354720 /nfs/dbraw/zinc/35/47/20/479354720.db2.gz GDKWQJIJMVVMFK-UHFFFAOYSA-N 1 2 340.383 2.699 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599621847 479356699 /nfs/dbraw/zinc/35/66/99/479356699.db2.gz IAKZGTBLHBRBJC-LLVKDONJSA-N 1 2 327.331 2.677 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599621847 479356702 /nfs/dbraw/zinc/35/67/02/479356702.db2.gz IAKZGTBLHBRBJC-LLVKDONJSA-N 1 2 327.331 2.677 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599623425 479357629 /nfs/dbraw/zinc/35/76/29/479357629.db2.gz PYQINSXBIGCHFE-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599623425 479357631 /nfs/dbraw/zinc/35/76/31/479357631.db2.gz PYQINSXBIGCHFE-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599644920 479366138 /nfs/dbraw/zinc/36/61/38/479366138.db2.gz AZXCDVGJBCJFBO-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599644920 479366144 /nfs/dbraw/zinc/36/61/44/479366144.db2.gz AZXCDVGJBCJFBO-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1O ZINC000602493695 479366868 /nfs/dbraw/zinc/36/68/68/479366868.db2.gz KMEISNDWNMWTRU-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1O ZINC000602493695 479366871 /nfs/dbraw/zinc/36/68/71/479366871.db2.gz KMEISNDWNMWTRU-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC000599648178 479366900 /nfs/dbraw/zinc/36/69/00/479366900.db2.gz VAVHEKOXKJVVBV-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC000599648178 479366908 /nfs/dbraw/zinc/36/69/08/479366908.db2.gz VAVHEKOXKJVVBV-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000611410391 479370573 /nfs/dbraw/zinc/37/05/73/479370573.db2.gz VCSTZMZEHMWBGG-UHFFFAOYSA-N 1 2 344.440 2.862 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)c1 ZINC000611411185 479372000 /nfs/dbraw/zinc/37/20/00/479372000.db2.gz IQLQHUSIOJKLBT-UHFFFAOYSA-N 1 2 344.440 2.862 20 5 EFBDLO O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000575125627 479407315 /nfs/dbraw/zinc/40/73/15/479407315.db2.gz JRZNEVCXPXGHMZ-QWHCGFSZSA-N 1 2 332.335 2.791 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1O ZINC000602622736 479430158 /nfs/dbraw/zinc/43/01/58/479430158.db2.gz LSZJVIZHBRCCNM-XVKPBYJWSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1O ZINC000602622736 479430162 /nfs/dbraw/zinc/43/01/62/479430162.db2.gz LSZJVIZHBRCCNM-XVKPBYJWSA-N 1 2 335.223 2.622 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602627264 479433932 /nfs/dbraw/zinc/43/39/32/479433932.db2.gz PWDXDKKCUHELMX-ZWNOBZJWSA-N 1 2 348.321 2.849 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602627264 479433938 /nfs/dbraw/zinc/43/39/38/479433938.db2.gz PWDXDKKCUHELMX-ZWNOBZJWSA-N 1 2 348.321 2.849 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602627262 479434574 /nfs/dbraw/zinc/43/45/74/479434574.db2.gz PWDXDKKCUHELMX-GXFFZTMASA-N 1 2 348.321 2.849 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602627262 479434576 /nfs/dbraw/zinc/43/45/76/479434576.db2.gz PWDXDKKCUHELMX-GXFFZTMASA-N 1 2 348.321 2.849 20 5 EFBDLO Cc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000603871526 479442720 /nfs/dbraw/zinc/44/27/20/479442720.db2.gz OSWICHTUPGILDA-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000589108622 479478899 /nfs/dbraw/zinc/47/88/99/479478899.db2.gz IHIKFXNENBVWJR-UHFFFAOYSA-N 1 2 331.763 2.986 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000604453323 479520210 /nfs/dbraw/zinc/52/02/10/479520210.db2.gz JUCNBUSPWARFOH-UHFFFAOYSA-N 1 2 340.286 2.812 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000576060517 479529677 /nfs/dbraw/zinc/52/96/77/479529677.db2.gz SCDQMWJCDDMVHF-CJNGLKHVSA-N 1 2 328.372 2.586 20 5 EFBDLO CC(C)(C)n1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000594005242 479543977 /nfs/dbraw/zinc/54/39/77/479543977.db2.gz FLKCYHGKTWDMMA-AWEZNQCLSA-N 1 2 344.419 2.716 20 5 EFBDLO CC(C)(C)n1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000594005242 479543984 /nfs/dbraw/zinc/54/39/84/479543984.db2.gz FLKCYHGKTWDMMA-AWEZNQCLSA-N 1 2 344.419 2.716 20 5 EFBDLO Cc1cnc(OC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)nc1 ZINC000594021211 479552147 /nfs/dbraw/zinc/55/21/47/479552147.db2.gz QSAMITGBFDOZLY-UHFFFAOYSA-N 1 2 346.362 2.876 20 5 EFBDLO COC(=O)c1oc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000597055084 479552230 /nfs/dbraw/zinc/55/22/30/479552230.db2.gz ACHIWCRTPJUTLX-UHFFFAOYSA-N 1 2 334.328 2.581 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026954 479555948 /nfs/dbraw/zinc/55/59/48/479555948.db2.gz QQDLRTQNXPTDJF-ZFWWWQNUSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026954 479555954 /nfs/dbraw/zinc/55/59/54/479555954.db2.gz QQDLRTQNXPTDJF-ZFWWWQNUSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000602795504 479557949 /nfs/dbraw/zinc/55/79/49/479557949.db2.gz BBSOPZSWPMCGNL-UHFFFAOYSA-N 1 2 341.371 2.790 20 5 EFBDLO 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CCn1cc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cn1 ZINC000774634301 581495831 /nfs/dbraw/zinc/49/58/31/581495831.db2.gz DBHHEARFPYBEQD-UHFFFAOYSA-N 1 2 348.794 2.904 20 5 EFBDLO CCn1cc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cn1 ZINC000774634301 581495832 /nfs/dbraw/zinc/49/58/32/581495832.db2.gz DBHHEARFPYBEQD-UHFFFAOYSA-N 1 2 348.794 2.904 20 5 EFBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774877962 581502997 /nfs/dbraw/zinc/50/29/97/581502997.db2.gz NXLPGMDCNWAQTO-UHFFFAOYSA-N 1 2 342.355 2.955 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774877962 581502998 /nfs/dbraw/zinc/50/29/98/581502998.db2.gz NXLPGMDCNWAQTO-UHFFFAOYSA-N 1 2 342.355 2.955 20 5 EFBDLO C[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000708279199 1251271052 /nfs/dbraw/zinc/27/10/52/1251271052.db2.gz PINSGWPFIFNFLC-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000708279199 1251271062 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EFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494258 1267342183 /nfs/dbraw/zinc/34/21/83/1267342183.db2.gz WORYHAFRKKIGBC-CQSZACIVSA-N 1 2 337.807 2.835 20 5 EFBDLO CN(C(=O)c1ccco1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005050703 1268479655 /nfs/dbraw/zinc/47/96/55/1268479655.db2.gz CGGLCYTYQXLENX-UHFFFAOYSA-N 1 2 349.412 2.986 20 5 EFBDLO CN(C(=O)c1cc[nH]c1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005429583 1270483464 /nfs/dbraw/zinc/48/34/64/1270483464.db2.gz PKXGNOHOIUXILX-UHFFFAOYSA-N 1 2 348.428 2.721 20 5 EFBDLO C[C@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)S1 ZINC000743378425 1270571073 /nfs/dbraw/zinc/57/10/73/1270571073.db2.gz WEYGZHBVIKBCGP-RYUDHWBXSA-N 1 2 333.417 2.637 20 5 EFBDLO O=C(OC[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000745957185 1271699112 /nfs/dbraw/zinc/69/91/12/1271699112.db2.gz FXHHIFACLPRLBW-LBPRGKRZSA-N 1 2 333.369 2.833 20 5 EFBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 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WKQDOGGHYIEYSM-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO Cc1cc(NCCCN(C)C(=O)CCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC001109653460 1274523080 /nfs/dbraw/zinc/52/30/80/1274523080.db2.gz WKQDOGGHYIEYSM-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000844362128 1278933084 /nfs/dbraw/zinc/93/30/84/1278933084.db2.gz YYSVSVXSPKOVST-UHFFFAOYSA-N 1 2 347.346 2.613 20 5 EFBDLO CCOC(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000787407794 1275778846 /nfs/dbraw/zinc/77/88/46/1275778846.db2.gz RXWWCRIFMVZIIC-SDNWHVSQSA-N 1 2 333.388 2.772 20 5 EFBDLO Nc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000819910084 1276944484 /nfs/dbraw/zinc/94/44/84/1276944484.db2.gz MYCVQTJCUZRRDU-UHFFFAOYSA-N 1 2 337.339 2.674 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000820153401 1277046540 /nfs/dbraw/zinc/04/65/40/1277046540.db2.gz RRQZOOZNIDWPGZ-CHWSQXEVSA-N 1 2 348.790 2.744 20 5 EFBDLO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334770 1279025821 /nfs/dbraw/zinc/02/58/21/1279025821.db2.gz IFWFXSAQTPHTMQ-WFASDCNBSA-N 1 2 336.388 2.562 20 5 EFBDLO COC(=O)[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334770 1279025830 /nfs/dbraw/zinc/02/58/30/1279025830.db2.gz IFWFXSAQTPHTMQ-WFASDCNBSA-N 1 2 336.388 2.562 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000844723639 1279200853 /nfs/dbraw/zinc/20/08/53/1279200853.db2.gz WDBAGTYAWUXFSD-CQSZACIVSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000844723639 1279200860 /nfs/dbraw/zinc/20/08/60/1279200860.db2.gz WDBAGTYAWUXFSD-CQSZACIVSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000844723866 1279202306 /nfs/dbraw/zinc/20/23/06/1279202306.db2.gz YUWNUDUGYRMGEM-CQSZACIVSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000844723866 1279202307 /nfs/dbraw/zinc/20/23/07/1279202307.db2.gz YUWNUDUGYRMGEM-CQSZACIVSA-N 1 2 345.403 2.700 20 5 EFBDLO COc1cc(COC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000845283207 1279531792 /nfs/dbraw/zinc/53/17/92/1279531792.db2.gz AEKQPBSELCLGJN-JTQLQIEISA-N 1 2 337.307 2.634 20 5 EFBDLO C[C@H](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000845522289 1279699497 /nfs/dbraw/zinc/69/94/97/1279699497.db2.gz HOWJMOUEWSBABN-CJNGLKHVSA-N 1 2 344.371 2.565 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845545659 1279715641 /nfs/dbraw/zinc/71/56/41/1279715641.db2.gz YZTASWBMPLJMNZ-QWRGUYRKSA-N 1 2 343.786 2.687 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000747529335 1281898718 /nfs/dbraw/zinc/89/87/18/1281898718.db2.gz IASKXWVKLFMGSB-OAHLLOKOSA-N 1 2 336.388 2.721 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000747529335 1281898731 /nfs/dbraw/zinc/89/87/31/1281898731.db2.gz IASKXWVKLFMGSB-OAHLLOKOSA-N 1 2 336.388 2.721 20 5 EFBDLO O=C(OCCc1cncs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000811119531 1284046521 /nfs/dbraw/zinc/04/65/21/1284046521.db2.gz VAMOXQDNHJNPBA-UHFFFAOYSA-N 1 2 344.352 2.637 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC001094291078 1284929813 /nfs/dbraw/zinc/92/98/13/1284929813.db2.gz AISNKCXWIYWJRX-UHFFFAOYSA-N 1 2 346.362 2.896 20 5 EFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](n4cccn4)C3)c2c(Cl)c1 ZINC000812296627 1285061074 /nfs/dbraw/zinc/06/10/74/1285061074.db2.gz OUURPPYGHNCQIV-LBPRGKRZSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](n4cccn4)C3)c2c(Cl)c1 ZINC000812296627 1285061079 /nfs/dbraw/zinc/06/10/79/1285061079.db2.gz OUURPPYGHNCQIV-LBPRGKRZSA-N 1 2 346.778 2.699 20 5 EFBDLO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001094873541 1286012499 /nfs/dbraw/zinc/01/24/99/1286012499.db2.gz ZOTUTTCCKCRZHI-UHFFFAOYSA-N 1 2 339.355 2.703 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H](CO)CC(F)(F)C1)CC2 ZINC001172905029 1286308600 /nfs/dbraw/zinc/30/86/00/1286308600.db2.gz QHNBIFQWGOHKDY-DOMZBBRYSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H](CO)CC(F)(F)C1)CC2 ZINC001172905029 1286308606 /nfs/dbraw/zinc/30/86/06/1286308606.db2.gz QHNBIFQWGOHKDY-DOMZBBRYSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](CO)CC(F)(F)C1)CC2 ZINC001172905041 1286309078 /nfs/dbraw/zinc/30/90/78/1286309078.db2.gz QHNBIFQWGOHKDY-SWLSCSKDSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](CO)CC(F)(F)C1)CC2 ZINC001172905041 1286309084 /nfs/dbraw/zinc/30/90/84/1286309084.db2.gz QHNBIFQWGOHKDY-SWLSCSKDSA-N 1 2 340.370 2.792 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1F ZINC001173183378 1286456922 /nfs/dbraw/zinc/45/69/22/1286456922.db2.gz XQCCTOFVPYMMOV-ZPFDUUQYSA-N 1 2 326.343 2.963 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1F ZINC001173183378 1286456930 /nfs/dbraw/zinc/45/69/30/1286456930.db2.gz XQCCTOFVPYMMOV-ZPFDUUQYSA-N 1 2 326.343 2.963 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@H]2C2CC2)c1F ZINC001173194004 1286459036 /nfs/dbraw/zinc/45/90/36/1286459036.db2.gz WGMOOKKQASRKII-NHYWBVRUSA-N 1 2 338.379 2.784 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC[C@H]2C2CC2)c1F ZINC001173194004 1286459041 /nfs/dbraw/zinc/45/90/41/1286459041.db2.gz WGMOOKKQASRKII-NHYWBVRUSA-N 1 2 338.379 2.784 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001173223992 1286477245 /nfs/dbraw/zinc/47/72/45/1286477245.db2.gz CYPBQXVOXUCYFO-AWEZNQCLSA-N 1 2 343.383 2.577 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001173233558 1286483939 /nfs/dbraw/zinc/48/39/39/1286483939.db2.gz XJEBDTYQHTUFCT-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001173233558 1286483944 /nfs/dbraw/zinc/48/39/44/1286483944.db2.gz XJEBDTYQHTUFCT-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000814937401 1287167974 /nfs/dbraw/zinc/16/79/74/1287167974.db2.gz FLWAMCKXPKOIBE-JTQLQIEISA-N 1 2 328.210 2.888 20 5 EFBDLO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000814937401 1287167977 /nfs/dbraw/zinc/16/79/77/1287167977.db2.gz FLWAMCKXPKOIBE-JTQLQIEISA-N 1 2 328.210 2.888 20 5 EFBDLO C[C@H](C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)n1cc[nH+]c1 ZINC001177927480 1288603377 /nfs/dbraw/zinc/60/33/77/1288603377.db2.gz XRZGSEJJLITRDO-GFCCVEGCSA-N 1 2 332.363 2.786 20 5 EFBDLO COC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000852769624 1299878873 /nfs/dbraw/zinc/87/88/73/1299878873.db2.gz YQZQNXJGLMWGHE-UHFFFAOYSA-N 1 2 327.768 2.569 20 5 EFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001178697044 1288875341 /nfs/dbraw/zinc/87/53/41/1288875341.db2.gz ADEIKUWJCKMNPP-GOSISDBHSA-N 1 2 335.407 2.813 20 5 EFBDLO C[N@H+]1CCCC[C@@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001178697044 1288875350 /nfs/dbraw/zinc/87/53/50/1288875350.db2.gz ADEIKUWJCKMNPP-GOSISDBHSA-N 1 2 335.407 2.813 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000823998765 1289510703 /nfs/dbraw/zinc/51/07/03/1289510703.db2.gz VBUUYFFMQANLFX-UHFFFAOYSA-N 1 2 345.359 2.519 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874897147 1290415906 /nfs/dbraw/zinc/41/59/06/1290415906.db2.gz XCWWNLUFWOWRLW-KRWDZBQOSA-N 1 2 343.358 2.829 20 5 EFBDLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795643247 1290797164 /nfs/dbraw/zinc/79/71/64/1290797164.db2.gz BAZOZKNDPAORGL-OAHLLOKOSA-N 1 2 333.432 2.921 20 5 EFBDLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795643247 1290797170 /nfs/dbraw/zinc/79/71/70/1290797170.db2.gz BAZOZKNDPAORGL-OAHLLOKOSA-N 1 2 333.432 2.921 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCCO1 ZINC000877990781 1291440576 /nfs/dbraw/zinc/44/05/76/1291440576.db2.gz WFBNBRLCPIPBQA-GFCCVEGCSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCCO1 ZINC000877990781 1291440582 /nfs/dbraw/zinc/44/05/82/1291440582.db2.gz WFBNBRLCPIPBQA-GFCCVEGCSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199761 1291550287 /nfs/dbraw/zinc/55/02/87/1291550287.db2.gz GUDSZEBQTZNLCX-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199761 1291550292 /nfs/dbraw/zinc/55/02/92/1291550292.db2.gz GUDSZEBQTZNLCX-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796174728 1292321237 /nfs/dbraw/zinc/32/12/37/1292321237.db2.gz ZXOLIAXUTUYYEE-CQSZACIVSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796174728 1292321243 /nfs/dbraw/zinc/32/12/43/1292321243.db2.gz ZXOLIAXUTUYYEE-CQSZACIVSA-N 1 2 339.367 2.835 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000128646508 1292656380 /nfs/dbraw/zinc/65/63/80/1292656380.db2.gz VXUPZNLMTNPEJI-UHFFFAOYSA-N 1 2 332.335 2.716 20 5 EFBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000881741998 1292990073 /nfs/dbraw/zinc/99/00/73/1292990073.db2.gz WEHDCYATPJFBCG-DAXSKMNVSA-N 1 2 342.374 2.964 20 5 EFBDLO CC(C)(CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[N+](=O)[O-] ZINC000882871778 1293359252 /nfs/dbraw/zinc/35/92/52/1293359252.db2.gz OFQJQBXBZWSIFW-OAHLLOKOSA-N 1 2 330.388 2.576 20 5 EFBDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885983249 1294606577 /nfs/dbraw/zinc/60/65/77/1294606577.db2.gz BCIDXKVFVPZUMG-UHFFFAOYSA-N 1 2 342.399 2.714 20 5 EFBDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885983249 1294606587 /nfs/dbraw/zinc/60/65/87/1294606587.db2.gz BCIDXKVFVPZUMG-UHFFFAOYSA-N 1 2 342.399 2.714 20 5 EFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886216064 1294768907 /nfs/dbraw/zinc/76/89/07/1294768907.db2.gz WEBKMCANGWLWRX-ZDUSSCGKSA-N 1 2 330.363 2.840 20 5 EFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886216064 1294768916 /nfs/dbraw/zinc/76/89/16/1294768916.db2.gz WEBKMCANGWLWRX-ZDUSSCGKSA-N 1 2 330.363 2.840 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234364796 1313113937 /nfs/dbraw/zinc/11/39/37/1313113937.db2.gz WZIQHUVWUNLVSU-HNNXBMFYSA-N 1 2 349.431 2.685 20 5 EFBDLO CC[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741645 1313187663 /nfs/dbraw/zinc/18/76/63/1313187663.db2.gz KALOJYZHTCGHAV-GFCCVEGCSA-N 1 2 341.363 2.830 20 5 EFBDLO CC[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741645 1313187667 /nfs/dbraw/zinc/18/76/67/1313187667.db2.gz KALOJYZHTCGHAV-GFCCVEGCSA-N 1 2 341.363 2.830 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000776279818 1297356231 /nfs/dbraw/zinc/35/62/31/1297356231.db2.gz ZMTIBEZFWLRBCZ-MRXNPFEDSA-N 1 2 325.324 2.893 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1[N+](=O)[O-] ZINC000851897831 1299455920 /nfs/dbraw/zinc/45/59/20/1299455920.db2.gz RJJTVAKWBSLHNE-SNVBAGLBSA-N 1 2 346.343 2.699 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095527 1299545148 /nfs/dbraw/zinc/54/51/48/1299545148.db2.gz AKKSCGGFMWDJDK-JTQLQIEISA-N 1 2 332.360 2.654 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000776578087 1299616759 /nfs/dbraw/zinc/61/67/59/1299616759.db2.gz AWHGLPYBNVYRCX-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000776578087 1299616768 /nfs/dbraw/zinc/61/67/68/1299616768.db2.gz AWHGLPYBNVYRCX-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580334 1299626437 /nfs/dbraw/zinc/62/64/37/1299626437.db2.gz WYKADBPUNPQBIH-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580334 1299626448 /nfs/dbraw/zinc/62/64/48/1299626448.db2.gz WYKADBPUNPQBIH-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306777 1299646280 /nfs/dbraw/zinc/64/62/80/1299646280.db2.gz RIVFATSYLNUBDE-SWLSCSKDSA-N 1 2 338.404 2.680 20 5 EFBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306777 1299646293 /nfs/dbraw/zinc/64/62/93/1299646293.db2.gz RIVFATSYLNUBDE-SWLSCSKDSA-N 1 2 338.404 2.680 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000776587488 1299661993 /nfs/dbraw/zinc/66/19/93/1299661993.db2.gz IKCAJROBFOADIM-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000776587488 1299661999 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C[N@@H+]1CCC[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230931751 1312394823 /nfs/dbraw/zinc/39/48/23/1312394823.db2.gz NIOQDRLIGBEAAL-VIFPVBQESA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@H+]1CCC[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230931751 1312394826 /nfs/dbraw/zinc/39/48/26/1312394826.db2.gz NIOQDRLIGBEAAL-VIFPVBQESA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941089 1312397575 /nfs/dbraw/zinc/39/75/75/1312397575.db2.gz KULKHOIXTRNDCZ-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941089 1312397578 /nfs/dbraw/zinc/39/75/78/1312397578.db2.gz KULKHOIXTRNDCZ-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO Cc1c(Br)c(O[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001231096096 1312431088 /nfs/dbraw/zinc/43/10/88/1312431088.db2.gz WJJZHQQDXGXTMJ-NSHDSACASA-N 1 2 342.193 2.534 20 5 EFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803362206 1312549763 /nfs/dbraw/zinc/54/97/63/1312549763.db2.gz XMDUAZIFRHXUIX-CQSZACIVSA-N 1 2 328.315 2.791 20 5 EFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803362206 1312549768 /nfs/dbraw/zinc/54/97/68/1312549768.db2.gz XMDUAZIFRHXUIX-CQSZACIVSA-N 1 2 328.315 2.791 20 5 EFBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218765 1312651096 /nfs/dbraw/zinc/65/10/96/1312651096.db2.gz GVIPPBDFBNGKRS-UHFFFAOYSA-N 1 2 349.438 2.582 20 5 EFBDLO O=[N+]([O-])c1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)ccc1F ZINC001211190146 1314450032 /nfs/dbraw/zinc/45/00/32/1314450032.db2.gz NPLNLZJXAILBDU-UHFFFAOYSA-N 1 2 332.335 2.834 20 5 EFBDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247961700 1314874405 /nfs/dbraw/zinc/87/44/05/1314874405.db2.gz RPLJGZGPLOCBJF-YGRLFVJLSA-N 1 2 335.367 2.868 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005581 1315131972 /nfs/dbraw/zinc/13/19/72/1315131972.db2.gz MGLYLNFAZOIBNK-SECBINFHSA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218007923 1315132365 /nfs/dbraw/zinc/13/23/65/1315132365.db2.gz SFZAKYHBKCIZAT-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218007922 1315132749 /nfs/dbraw/zinc/13/27/49/1315132749.db2.gz SFZAKYHBKCIZAT-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218238111 1315168705 /nfs/dbraw/zinc/16/87/05/1315168705.db2.gz UJZDHIILFJKZRN-GFCCVEGCSA-N 1 2 344.314 2.536 20 5 EFBDLO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218240146 1315169737 /nfs/dbraw/zinc/16/97/37/1315169737.db2.gz RZNLIVUGFVSFQE-SECBINFHSA-N 1 2 337.120 2.652 20 5 EFBDLO CCCSc1nc(O[C@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218475536 1315202144 /nfs/dbraw/zinc/20/21/44/1315202144.db2.gz FRPSITINQPSLST-VIFPVBQESA-N 1 2 342.421 2.502 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318450495 1328595531 /nfs/dbraw/zinc/59/55/31/1328595531.db2.gz FXYYCFZUHKYRCD-KRWDZBQOSA-N 1 2 340.383 2.983 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318450495 1328595538 /nfs/dbraw/zinc/59/55/38/1328595538.db2.gz FXYYCFZUHKYRCD-KRWDZBQOSA-N 1 2 340.383 2.983 20 5 EFBDLO CCOC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001254467931 1315706846 /nfs/dbraw/zinc/70/68/46/1315706846.db2.gz FZAHKYVXRLQTFY-UHFFFAOYSA-N 1 2 347.415 2.639 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC001254551163 1315722751 /nfs/dbraw/zinc/72/27/51/1315722751.db2.gz ZMNUKGYSMSIAND-INIZCTEOSA-N 1 2 340.427 2.739 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC001254562480 1315724010 /nfs/dbraw/zinc/72/40/10/1315724010.db2.gz RPMJPHGYHOAPSE-INIZCTEOSA-N 1 2 340.427 2.739 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001254564122 1315724265 /nfs/dbraw/zinc/72/42/65/1315724265.db2.gz ISOKHJDAGHNBJH-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001254564122 1315724267 /nfs/dbraw/zinc/72/42/67/1315724267.db2.gz ISOKHJDAGHNBJH-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579437 1315726748 /nfs/dbraw/zinc/72/67/48/1315726748.db2.gz SIGRWDSILFTQFT-NVXWUHKLSA-N 1 2 332.400 2.774 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603859 1315729564 /nfs/dbraw/zinc/72/95/64/1315729564.db2.gz RDQDDSGIRWQQTN-SJLPKXTDSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603859 1315729568 /nfs/dbraw/zinc/72/95/68/1315729568.db2.gz RDQDDSGIRWQQTN-SJLPKXTDSA-N 1 2 325.368 2.531 20 5 EFBDLO CCOC(=O)c1coc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607210 1315730367 /nfs/dbraw/zinc/73/03/67/1315730367.db2.gz JJQPTHCBWRSSFR-CQSZACIVSA-N 1 2 342.351 2.848 20 5 EFBDLO CCOC(=O)c1coc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607210 1315730370 /nfs/dbraw/zinc/73/03/70/1315730370.db2.gz JJQPTHCBWRSSFR-CQSZACIVSA-N 1 2 342.351 2.848 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001254606858 1315730477 /nfs/dbraw/zinc/73/04/77/1315730477.db2.gz IRMKPYUQBCXTMQ-QZTJIDSGSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001254606858 1315730479 /nfs/dbraw/zinc/73/04/79/1315730479.db2.gz IRMKPYUQBCXTMQ-QZTJIDSGSA-N 1 2 325.368 2.531 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039495355 1315843125 /nfs/dbraw/zinc/84/31/25/1315843125.db2.gz CRNMFZIVCYUQNS-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039495355 1315843129 /nfs/dbraw/zinc/84/31/29/1315843129.db2.gz CRNMFZIVCYUQNS-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO COc1cc(N2CCC([N@@H+]3CCC(F)(F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256094373 1315904564 /nfs/dbraw/zinc/90/45/64/1315904564.db2.gz IWNSZDIUIVDHDT-UHFFFAOYSA-N 1 2 341.358 2.913 20 5 EFBDLO COc1cc(N2CCC([N@H+]3CCC(F)(F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256094373 1315904566 /nfs/dbraw/zinc/90/45/66/1315904566.db2.gz IWNSZDIUIVDHDT-UHFFFAOYSA-N 1 2 341.358 2.913 20 5 EFBDLO COc1cccc(NC(=O)CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319329267 1328852482 /nfs/dbraw/zinc/85/24/82/1328852482.db2.gz XXCULLZFUCIJOA-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO COc1cccc(NC(=O)CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319329267 1328852490 /nfs/dbraw/zinc/85/24/90/1328852490.db2.gz XXCULLZFUCIJOA-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO C[C@@H]1OCC[C@H]1c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001326565763 1330318092 /nfs/dbraw/zinc/31/80/92/1330318092.db2.gz HFFREKFICQGGNP-CMPLNLGQSA-N 1 2 341.327 2.723 20 5 EFBDLO Cn1c(=O)c([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)c2ccccc21 ZINC001333739328 1331204945 /nfs/dbraw/zinc/20/49/45/1331204945.db2.gz HHOBDKFTKRNEEY-UHFFFAOYSA-N 1 2 341.371 2.536 20 5 EFBDLO CC[N@H+](C)[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001333860265 1331229117 /nfs/dbraw/zinc/22/91/17/1331229117.db2.gz LXTYJGXYFIZJMQ-HNNXBMFYSA-N 1 2 329.356 2.726 20 5 EFBDLO CC[N@@H+](C)[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001333860265 1331229119 /nfs/dbraw/zinc/22/91/19/1331229119.db2.gz LXTYJGXYFIZJMQ-HNNXBMFYSA-N 1 2 329.356 2.726 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CCn3c[nH+]cc3C2)c(Br)c1 ZINC001347120700 1332719080 /nfs/dbraw/zinc/71/90/80/1332719080.db2.gz QQRZCEMLBGWRCT-UHFFFAOYSA-N 1 2 337.177 2.570 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001351373245 1333220071 /nfs/dbraw/zinc/22/00/71/1333220071.db2.gz CPLWTXUSIKZTPG-SNVBAGLBSA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1[nH]c(CNc2ncc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC001354266217 1334202805 /nfs/dbraw/zinc/20/28/05/1334202805.db2.gz IKMQFEXGRIIFNS-UHFFFAOYSA-N 1 2 326.154 2.704 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001356510016 1335045873 /nfs/dbraw/zinc/04/58/73/1335045873.db2.gz AHBFRZBUSUDFBG-YGRLFVJLSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001356510016 1335045874 /nfs/dbraw/zinc/04/58/74/1335045874.db2.gz AHBFRZBUSUDFBG-YGRLFVJLSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H]1CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H]1C ZINC000247034085 713437560 /nfs/dbraw/zinc/43/75/60/713437560.db2.gz SORHCEPNXNLRPR-OLZOCXBDSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H]1C ZINC000247034085 713437561 /nfs/dbraw/zinc/43/75/61/713437561.db2.gz SORHCEPNXNLRPR-OLZOCXBDSA-N 1 2 328.372 2.506 20 5 EFBDLO COC(=O)COc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000891621570 714872823 /nfs/dbraw/zinc/87/28/23/714872823.db2.gz RBDBOJKDFUUSQA-UHFFFAOYSA-N 1 2 344.367 2.779 20 5 EFBDLO COC(=O)COc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000891621570 714872826 /nfs/dbraw/zinc/87/28/26/714872826.db2.gz RBDBOJKDFUUSQA-UHFFFAOYSA-N 1 2 344.367 2.779 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)c1 ZINC000891722952 714976881 /nfs/dbraw/zinc/97/68/81/714976881.db2.gz FALGSNITABSMIA-UHFFFAOYSA-N 1 2 341.415 2.839 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C3OCCO3)co2)cc1 ZINC000933899398 715099033 /nfs/dbraw/zinc/09/90/33/715099033.db2.gz BNCUOFOSIRVEBH-HNNXBMFYSA-N 1 2 345.355 2.587 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3C3OCCO3)co2)cc1 ZINC000933899398 715099036 /nfs/dbraw/zinc/09/90/36/715099036.db2.gz BNCUOFOSIRVEBH-HNNXBMFYSA-N 1 2 345.355 2.587 20 5 EFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]2CO)cc1OC ZINC000934015893 715178905 /nfs/dbraw/zinc/17/89/05/715178905.db2.gz IWMYNORELPLZIM-GXTWGEPZSA-N 1 2 338.404 2.595 20 5 EFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]2CO)cc1OC ZINC000934015893 715178906 /nfs/dbraw/zinc/17/89/06/715178906.db2.gz IWMYNORELPLZIM-GXTWGEPZSA-N 1 2 338.404 2.595 20 5 EFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]2CO)cc1OC ZINC000934015895 715178937 /nfs/dbraw/zinc/17/89/37/715178937.db2.gz IWMYNORELPLZIM-OCCSQVGLSA-N 1 2 338.404 2.595 20 5 EFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]2CO)cc1OC ZINC000934015895 715178938 /nfs/dbraw/zinc/17/89/38/715178938.db2.gz IWMYNORELPLZIM-OCCSQVGLSA-N 1 2 338.404 2.595 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2CO)c1Br ZINC000236510737 715197995 /nfs/dbraw/zinc/19/79/95/715197995.db2.gz UXJXORRLTUAYES-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2CO)c1Br ZINC000236510737 715197996 /nfs/dbraw/zinc/19/79/96/715197996.db2.gz UXJXORRLTUAYES-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO C[N@H+](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000124986631 715757640 /nfs/dbraw/zinc/75/76/40/715757640.db2.gz AUAQZGIZBFVQDV-JTQLQIEISA-N 1 2 330.793 2.591 20 5 EFBDLO C[N@@H+](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000124986631 715757645 /nfs/dbraw/zinc/75/76/45/715757645.db2.gz AUAQZGIZBFVQDV-JTQLQIEISA-N 1 2 330.793 2.591 20 5 EFBDLO COc1cccc2c1CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000893497587 716093868 /nfs/dbraw/zinc/09/38/68/716093868.db2.gz GMSQQSGUANDNTP-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1cccc2c1CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000893497587 716093873 /nfs/dbraw/zinc/09/38/73/716093873.db2.gz GMSQQSGUANDNTP-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980708019 717615503 /nfs/dbraw/zinc/61/55/03/717615503.db2.gz OJNWPSJVOYBIPJ-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980708019 717615507 /nfs/dbraw/zinc/61/55/07/717615507.db2.gz OJNWPSJVOYBIPJ-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[NH2+][C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892668285 718411921 /nfs/dbraw/zinc/41/19/21/718411921.db2.gz FUFQJDLTLOFOFI-CHWSQXEVSA-N 1 2 337.420 2.519 20 5 EFBDLO CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981585063 718849017 /nfs/dbraw/zinc/84/90/17/718849017.db2.gz MGEDYUVXMDHAOU-UHFFFAOYSA-N 1 2 337.445 2.881 20 5 EFBDLO CCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981585063 718849022 /nfs/dbraw/zinc/84/90/22/718849022.db2.gz MGEDYUVXMDHAOU-UHFFFAOYSA-N 1 2 337.445 2.881 20 5 EFBDLO CC(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)=C1CCC1 ZINC001025773086 719310321 /nfs/dbraw/zinc/31/03/21/719310321.db2.gz IXMOEFWHVGHIAZ-FOLVSLTJSA-N 1 2 347.440 2.703 20 5 EFBDLO CC(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)=C1CCC1 ZINC001025773086 719310323 /nfs/dbraw/zinc/31/03/23/719310323.db2.gz IXMOEFWHVGHIAZ-FOLVSLTJSA-N 1 2 347.440 2.703 20 5 EFBDLO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025961555 719580773 /nfs/dbraw/zinc/58/07/73/719580773.db2.gz PCXIAVYXDJRWOL-NHAGDIPZSA-N 1 2 349.456 2.639 20 5 EFBDLO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025961555 719580777 /nfs/dbraw/zinc/58/07/77/719580777.db2.gz PCXIAVYXDJRWOL-NHAGDIPZSA-N 1 2 349.456 2.639 20 5 EFBDLO CN(C)c1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000894063314 720258813 /nfs/dbraw/zinc/25/88/13/720258813.db2.gz LPOIBHMOFIRLOZ-AWEZNQCLSA-N 1 2 327.388 2.835 20 5 EFBDLO CN(C)c1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000894063314 720258816 /nfs/dbraw/zinc/25/88/16/720258816.db2.gz LPOIBHMOFIRLOZ-AWEZNQCLSA-N 1 2 327.388 2.835 20 5 EFBDLO CC1(C)CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000840519260 724803248 /nfs/dbraw/zinc/80/32/48/724803248.db2.gz PMMPQSVPAMGDQH-AWEZNQCLSA-N 1 2 343.339 2.695 20 5 EFBDLO COc1c(O)ccc(C[N@H+](Cc2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000894491376 722756738 /nfs/dbraw/zinc/75/67/38/722756738.db2.gz XRUKFXBUIBMJGR-UHFFFAOYSA-N 1 2 329.356 2.869 20 5 EFBDLO COc1c(O)ccc(C[N@@H+](Cc2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000894491376 722756740 /nfs/dbraw/zinc/75/67/40/722756740.db2.gz XRUKFXBUIBMJGR-UHFFFAOYSA-N 1 2 329.356 2.869 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029184949 723021982 /nfs/dbraw/zinc/02/19/82/723021982.db2.gz XCUQDIPWIFULAT-GASCZTMLSA-N 1 2 335.379 2.518 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029184949 723021983 /nfs/dbraw/zinc/02/19/83/723021983.db2.gz XCUQDIPWIFULAT-GASCZTMLSA-N 1 2 335.379 2.518 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029184950 723021987 /nfs/dbraw/zinc/02/19/87/723021987.db2.gz XDAJONPWIFICSA-GASCZTMLSA-N 1 2 335.379 2.518 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029184950 723021990 /nfs/dbraw/zinc/02/19/90/723021990.db2.gz XDAJONPWIFICSA-GASCZTMLSA-N 1 2 335.379 2.518 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029186018 723022663 /nfs/dbraw/zinc/02/26/63/723022663.db2.gz RBDITWDWIUNCHB-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029186018 723022664 /nfs/dbraw/zinc/02/26/64/723022664.db2.gz RBDITWDWIUNCHB-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029186375 723024097 /nfs/dbraw/zinc/02/40/97/723024097.db2.gz IXPPDVWLTUUOGD-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029186375 723024098 /nfs/dbraw/zinc/02/40/98/723024098.db2.gz IXPPDVWLTUUOGD-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029263722 723202403 /nfs/dbraw/zinc/20/24/03/723202403.db2.gz ZAHCRHDFEAGLTE-FVBSEFERSA-N 1 2 329.400 2.736 20 5 EFBDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029263722 723202404 /nfs/dbraw/zinc/20/24/04/723202404.db2.gz ZAHCRHDFEAGLTE-FVBSEFERSA-N 1 2 329.400 2.736 20 5 EFBDLO O=C(C1=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029269463 723212744 /nfs/dbraw/zinc/21/27/44/723212744.db2.gz VDZJAHXQMLUBKO-CALCHBBNSA-N 1 2 341.411 2.880 20 5 EFBDLO O=C(C1=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029269463 723212746 /nfs/dbraw/zinc/21/27/46/723212746.db2.gz VDZJAHXQMLUBKO-CALCHBBNSA-N 1 2 341.411 2.880 20 5 EFBDLO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245578 723934895 /nfs/dbraw/zinc/93/48/95/723934895.db2.gz GHMMGXQXLBIJLP-YGRLFVJLSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895245578 723934900 /nfs/dbraw/zinc/93/49/00/723934900.db2.gz GHMMGXQXLBIJLP-YGRLFVJLSA-N 1 2 346.353 2.660 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029559800 723936308 /nfs/dbraw/zinc/93/63/08/723936308.db2.gz FTKCWEFZIHEZGA-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029559800 723936311 /nfs/dbraw/zinc/93/63/11/723936311.db2.gz FTKCWEFZIHEZGA-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727492648 724079124 /nfs/dbraw/zinc/07/91/24/724079124.db2.gz BPBMYWYNABDVQV-HNNXBMFYSA-N 1 2 330.388 2.944 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1[N+](=O)[O-] ZINC000895439205 724134339 /nfs/dbraw/zinc/13/43/39/724134339.db2.gz XPWQAKMTEVJCNK-UHFFFAOYSA-N 1 2 348.399 2.700 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1[N+](=O)[O-] ZINC000895439205 724134340 /nfs/dbraw/zinc/13/43/40/724134340.db2.gz XPWQAKMTEVJCNK-UHFFFAOYSA-N 1 2 348.399 2.700 20 5 EFBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000895801139 724323486 /nfs/dbraw/zinc/32/34/86/724323486.db2.gz KTPUHMZPKAARDV-SNVBAGLBSA-N 1 2 348.325 2.531 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029458392 724353571 /nfs/dbraw/zinc/35/35/71/724353571.db2.gz OEKLXDRTUKXLHG-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029458392 724353576 /nfs/dbraw/zinc/35/35/76/724353576.db2.gz OEKLXDRTUKXLHG-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CCOC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000918738701 728919130 /nfs/dbraw/zinc/91/91/30/728919130.db2.gz JXABOAQJZXTYGG-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO C[N@H+](CCc1ccccc1F)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000731661831 726913850 /nfs/dbraw/zinc/91/38/50/726913850.db2.gz XFVGCUCZLVXCTG-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO C[N@@H+](CCc1ccccc1F)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000731661831 726913853 /nfs/dbraw/zinc/91/38/53/726913853.db2.gz XFVGCUCZLVXCTG-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000732211836 727005433 /nfs/dbraw/zinc/00/54/33/727005433.db2.gz HFNKSLGKBDLJMI-ZDUSSCGKSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000732211836 727005435 /nfs/dbraw/zinc/00/54/35/727005435.db2.gz HFNKSLGKBDLJMI-ZDUSSCGKSA-N 1 2 335.379 2.711 20 5 EFBDLO CN(C[Si](C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000911732369 727593900 /nfs/dbraw/zinc/59/39/00/727593900.db2.gz BMNRSNCZTJDIAE-UHFFFAOYSA-N 1 2 332.436 2.730 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172894330 728609450 /nfs/dbraw/zinc/60/94/50/728609450.db2.gz UMMPWQHBQVIHPY-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000172926793 728610745 /nfs/dbraw/zinc/61/07/45/728610745.db2.gz UXRYKZGIBWVUHD-GFCCVEGCSA-N 1 2 339.351 2.907 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000172926793 728610747 /nfs/dbraw/zinc/61/07/47/728610747.db2.gz UXRYKZGIBWVUHD-GFCCVEGCSA-N 1 2 339.351 2.907 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3cc[nH]c3=S)CC2)cc1 ZINC000173435031 728626500 /nfs/dbraw/zinc/62/65/00/728626500.db2.gz BYFWIQMJHJALQR-UHFFFAOYSA-N 1 2 334.401 2.955 20 5 EFBDLO CC(C)[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173483559 728627880 /nfs/dbraw/zinc/62/78/80/728627880.db2.gz QNMFYIIXNBCPGF-OAHLLOKOSA-N 1 2 347.444 2.884 20 5 EFBDLO CC(C)[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173483559 728627882 /nfs/dbraw/zinc/62/78/82/728627882.db2.gz QNMFYIIXNBCPGF-OAHLLOKOSA-N 1 2 347.444 2.884 20 5 EFBDLO COCCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174515595 728668269 /nfs/dbraw/zinc/66/82/69/728668269.db2.gz VBQUGCNWHJHDAF-UHFFFAOYSA-N 1 2 333.344 2.754 20 5 EFBDLO O=C(OCc1nccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000920122634 729144948 /nfs/dbraw/zinc/14/49/48/729144948.db2.gz DQCKUDBFEHYQAR-UHFFFAOYSA-N 1 2 330.325 2.594 20 5 EFBDLO CC[N@H+](CC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000069797411 729231221 /nfs/dbraw/zinc/23/12/21/729231221.db2.gz QQQSELSRMXOLIK-UHFFFAOYSA-N 1 2 328.372 2.508 20 5 EFBDLO CC[N@@H+](CC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000069797411 729231223 /nfs/dbraw/zinc/23/12/23/729231223.db2.gz QQQSELSRMXOLIK-UHFFFAOYSA-N 1 2 328.372 2.508 20 5 EFBDLO C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001579406626 1090606231 /nfs/dbraw/zinc/60/62/31/1090606231.db2.gz UBWRGMSMWUHAHM-RFAUZJTJSA-N 1 2 335.310 2.750 20 5 EFBDLO CC(C)[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000780498925 1092460161 /nfs/dbraw/zinc/46/01/61/1092460161.db2.gz QLCPUTIZMQSOAW-LBPRGKRZSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000780498925 1092460170 /nfs/dbraw/zinc/46/01/70/1092460170.db2.gz QLCPUTIZMQSOAW-LBPRGKRZSA-N 1 2 331.372 2.516 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCCO)C2CC2)c1Br ZINC000404245484 1093202713 /nfs/dbraw/zinc/20/27/13/1093202713.db2.gz UKKKOIGRENIXND-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+](CCCO)C2CC2)c1Br ZINC000404245484 1093202718 /nfs/dbraw/zinc/20/27/18/1093202718.db2.gz UKKKOIGRENIXND-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038486 1093231517 /nfs/dbraw/zinc/23/15/17/1093231517.db2.gz AWFZUXWSTMXTQT-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038486 1093231523 /nfs/dbraw/zinc/23/15/23/1093231523.db2.gz AWFZUXWSTMXTQT-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591775509 1093857394 /nfs/dbraw/zinc/85/73/94/1093857394.db2.gz CKYLNBIFSNCIPK-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591775509 1093857403 /nfs/dbraw/zinc/85/74/03/1093857403.db2.gz CKYLNBIFSNCIPK-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001591865717 1093902433 /nfs/dbraw/zinc/90/24/33/1093902433.db2.gz GGYDCNGGTQPWGM-UHFFFAOYSA-N 1 2 336.355 2.599 20 5 EFBDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001591865717 1093902436 /nfs/dbraw/zinc/90/24/36/1093902436.db2.gz GGYDCNGGTQPWGM-UHFFFAOYSA-N 1 2 336.355 2.599 20 5 EFBDLO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140921 1098166314 /nfs/dbraw/zinc/16/63/14/1098166314.db2.gz WYQVIFNBDOWKGX-LLVKDONJSA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140921 1098166318 /nfs/dbraw/zinc/16/63/18/1098166318.db2.gz WYQVIFNBDOWKGX-LLVKDONJSA-N 1 2 336.355 2.852 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC001609601142 1098394378 /nfs/dbraw/zinc/39/43/78/1098394378.db2.gz CEDTVCQVEHNRRV-UHFFFAOYSA-N 1 2 349.310 2.753 20 5 EFBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4nc4ccccc43)C[C@H]21 ZINC001270262605 1098878301 /nfs/dbraw/zinc/87/83/01/1098878301.db2.gz ZUSIIQSLJFELQX-MOPGFXCFSA-N 1 2 347.418 2.543 20 5 EFBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4nc4ccccc43)C[C@H]21 ZINC001270262605 1098878308 /nfs/dbraw/zinc/87/83/08/1098878308.db2.gz ZUSIIQSLJFELQX-MOPGFXCFSA-N 1 2 347.418 2.543 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897561669 1105745595 /nfs/dbraw/zinc/74/55/95/1105745595.db2.gz ANIPPWHBGVLNPQ-RXEWJAMOSA-N 1 2 342.399 2.805 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897561669 1105745600 /nfs/dbraw/zinc/74/56/00/1105745600.db2.gz ANIPPWHBGVLNPQ-RXEWJAMOSA-N 1 2 342.399 2.805 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccncc3)no2)cc1-n1cc[nH+]c1 ZINC000904577938 1108020657 /nfs/dbraw/zinc/02/06/57/1108020657.db2.gz FHABCFSWGGVHMZ-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000914785582 1111376951 /nfs/dbraw/zinc/37/69/51/1111376951.db2.gz KIDITNXMOJQYAW-CYBMUJFWSA-N 1 2 336.779 2.946 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000914785582 1111376957 /nfs/dbraw/zinc/37/69/57/1111376957.db2.gz KIDITNXMOJQYAW-CYBMUJFWSA-N 1 2 336.779 2.946 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000052245288 214123710 /nfs/dbraw/zinc/12/37/10/214123710.db2.gz RONPCZSIASCVRB-ZDUSSCGKSA-N 1 2 328.372 2.827 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000052835716 214149509 /nfs/dbraw/zinc/14/95/09/214149509.db2.gz IVLMMQBIIZODOQ-CQSZACIVSA-N 1 2 331.397 2.720 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000052835716 214149512 /nfs/dbraw/zinc/14/95/12/214149512.db2.gz IVLMMQBIIZODOQ-CQSZACIVSA-N 1 2 331.397 2.720 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000054203704 214225146 /nfs/dbraw/zinc/22/51/46/214225146.db2.gz VMKRCACCRHEUMR-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174246016 231158611 /nfs/dbraw/zinc/15/86/11/231158611.db2.gz ITLPZZRIGOQAEU-NSHDSACASA-N 1 2 332.360 2.891 20 5 EFBDLO CCc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000174152796 529594952 /nfs/dbraw/zinc/59/49/52/529594952.db2.gz VTFDTNCEFASDSB-UHFFFAOYSA-N 1 2 328.372 2.831 20 5 EFBDLO CCc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000153059357 529608366 /nfs/dbraw/zinc/60/83/66/529608366.db2.gz SAUSHSMRHQRZCE-HNNXBMFYSA-N 1 2 340.383 2.561 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000175500303 231457388 /nfs/dbraw/zinc/45/73/88/231457388.db2.gz MPUYSNGVMDKKOJ-ZDUSSCGKSA-N 1 2 331.376 2.550 20 5 EFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000175963933 231545832 /nfs/dbraw/zinc/54/58/32/231545832.db2.gz GJVAJFGTUFFSSF-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000171416943 529911207 /nfs/dbraw/zinc/91/12/07/529911207.db2.gz BIXVZONDLNKJFD-UHFFFAOYSA-N 1 2 349.434 2.792 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000353503422 282328000 /nfs/dbraw/zinc/32/80/00/282328000.db2.gz OZAGGYBOOWJZMA-UHFFFAOYSA-N 1 2 332.385 2.787 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066565846 215055118 /nfs/dbraw/zinc/05/51/18/215055118.db2.gz DKRKCWFSNJFDIY-NSHDSACASA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066565846 215055122 /nfs/dbraw/zinc/05/51/22/215055122.db2.gz DKRKCWFSNJFDIY-NSHDSACASA-N 1 2 334.401 2.819 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000436938090 299247200 /nfs/dbraw/zinc/24/72/00/299247200.db2.gz JXKQGHMLQMAGEM-YVEFUNNKSA-N 1 2 343.383 2.722 20 5 EFBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000353877829 146579283 /nfs/dbraw/zinc/57/92/83/146579283.db2.gz WHRUENZGYQFJPN-LLVKDONJSA-N 1 2 341.795 2.545 20 5 EFBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000353877829 146579286 /nfs/dbraw/zinc/57/92/86/146579286.db2.gz WHRUENZGYQFJPN-LLVKDONJSA-N 1 2 341.795 2.545 20 5 EFBDLO O=C(Nc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072254911 216085058 /nfs/dbraw/zinc/08/50/58/216085058.db2.gz IQQVYIXHCGTMIE-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO Cc1c(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000130145151 223126326 /nfs/dbraw/zinc/12/63/26/223126326.db2.gz MOWINPXINUIVPZ-SUMWQHHRSA-N 1 2 342.399 2.752 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000072662331 216290675 /nfs/dbraw/zinc/29/06/75/216290675.db2.gz JFWHTIXQFMMCSY-UHFFFAOYSA-N 1 2 334.401 2.823 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072716727 216298852 /nfs/dbraw/zinc/29/88/52/216298852.db2.gz LXPQXEZOASAKJZ-UHFFFAOYSA-N 1 2 347.415 2.593 20 5 EFBDLO CN(C(=O)C[N@H+]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072716727 216298856 /nfs/dbraw/zinc/29/88/56/216298856.db2.gz LXPQXEZOASAKJZ-UHFFFAOYSA-N 1 2 347.415 2.593 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836263 216314281 /nfs/dbraw/zinc/31/42/81/216314281.db2.gz JNVXWIRZGOORHN-OAHLLOKOSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836263 216314283 /nfs/dbraw/zinc/31/42/83/216314283.db2.gz JNVXWIRZGOORHN-OAHLLOKOSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000132435224 223330781 /nfs/dbraw/zinc/33/07/81/223330781.db2.gz LGWHYVLOSXNBIO-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000132435224 223330782 /nfs/dbraw/zinc/33/07/82/223330782.db2.gz LGWHYVLOSXNBIO-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000132585926 223344957 /nfs/dbraw/zinc/34/49/57/223344957.db2.gz UWPLFBISARWYRE-AWEZNQCLSA-N 1 2 348.428 2.845 20 5 EFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194556203 240161703 /nfs/dbraw/zinc/16/17/03/240161703.db2.gz QSUQDAUVRZPSPP-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2ccsc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000132925416 223374623 /nfs/dbraw/zinc/37/46/23/223374623.db2.gz NLWMEEPAMSYERU-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2ccsc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000132925416 223374624 /nfs/dbraw/zinc/37/46/24/223374624.db2.gz NLWMEEPAMSYERU-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000355085435 242020465 /nfs/dbraw/zinc/02/04/65/242020465.db2.gz IWZTYHYUCMCHPX-HNNXBMFYSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000355085435 242020470 /nfs/dbraw/zinc/02/04/70/242020470.db2.gz IWZTYHYUCMCHPX-HNNXBMFYSA-N 1 2 349.434 2.839 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2)cc1 ZINC000230127018 242235033 /nfs/dbraw/zinc/23/50/33/242235033.db2.gz PIFZXIRJQRRKHS-CABCVRRESA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)n2)cc1 ZINC000230127018 242235037 /nfs/dbraw/zinc/23/50/37/242235037.db2.gz PIFZXIRJQRRKHS-CABCVRRESA-N 1 2 344.371 2.788 20 5 EFBDLO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1occc1C ZINC000412026310 243075983 /nfs/dbraw/zinc/07/59/83/243075983.db2.gz LGYKRMIULQAXJN-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1occc1C ZINC000412026310 243075987 /nfs/dbraw/zinc/07/59/87/243075987.db2.gz LGYKRMIULQAXJN-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO Cc1cccc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000418945382 245317920 /nfs/dbraw/zinc/31/79/20/245317920.db2.gz LJZUNALWYIMEHO-SFHVURJKSA-N 1 2 349.431 2.803 20 5 EFBDLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1OC ZINC000421574197 246022727 /nfs/dbraw/zinc/02/27/27/246022727.db2.gz DXSDHHHNIIAAOJ-UHFFFAOYSA-N 1 2 345.355 2.554 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000421534175 246008884 /nfs/dbraw/zinc/00/88/84/246008884.db2.gz ZJQRJDJGTMQWPU-AWEZNQCLSA-N 1 2 340.383 2.615 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000264074856 246041483 /nfs/dbraw/zinc/04/14/83/246041483.db2.gz NDIJKPUILSGHEE-UHFFFAOYSA-N 1 2 328.294 2.986 20 5 EFBDLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000264207766 246184152 /nfs/dbraw/zinc/18/41/52/246184152.db2.gz VAZYIZUJTRVOKO-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425392310 247070062 /nfs/dbraw/zinc/07/00/62/247070062.db2.gz GALZDNGUPRAJGP-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425392310 247070068 /nfs/dbraw/zinc/07/00/68/247070068.db2.gz GALZDNGUPRAJGP-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000425364681 247059545 /nfs/dbraw/zinc/05/95/45/247059545.db2.gz HBRWOCHLYBPSLD-GOSISDBHSA-N 1 2 339.395 2.658 20 5 EFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000425364681 247059548 /nfs/dbraw/zinc/05/95/48/247059548.db2.gz HBRWOCHLYBPSLD-GOSISDBHSA-N 1 2 339.395 2.658 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425389844 247067723 /nfs/dbraw/zinc/06/77/23/247067723.db2.gz VHAOHLUVOJZNLH-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425389844 247067728 /nfs/dbraw/zinc/06/77/28/247067728.db2.gz VHAOHLUVOJZNLH-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO C[C@H]1COCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422910 247079418 /nfs/dbraw/zinc/07/94/18/247079418.db2.gz PZOCFVALSNNVLY-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@H]1COCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422910 247079420 /nfs/dbraw/zinc/07/94/20/247079420.db2.gz PZOCFVALSNNVLY-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO COc1cc(OCC(=O)Nc2c(C)cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000425589609 247139788 /nfs/dbraw/zinc/13/97/88/247139788.db2.gz UMJJHMAKLWRWSD-UHFFFAOYSA-N 1 2 331.328 2.633 20 5 EFBDLO CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426344317 247264703 /nfs/dbraw/zinc/26/47/03/247264703.db2.gz IAXQUQNOLLEISX-ZBEGNZNMSA-N 1 2 331.372 2.564 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C[NH+]1CCOCC1 ZINC000265736887 247748731 /nfs/dbraw/zinc/74/87/31/247748731.db2.gz AVCZPRNCWLAMAW-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)[C@@H]2CCCSC2)c(F)c1 ZINC000433193473 248026436 /nfs/dbraw/zinc/02/64/36/248026436.db2.gz QNZNXHWYAKGSQX-SNVBAGLBSA-N 1 2 332.372 2.563 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)[C@@H]2CCCSC2)c(F)c1 ZINC000433193473 248026440 /nfs/dbraw/zinc/02/64/40/248026440.db2.gz QNZNXHWYAKGSQX-SNVBAGLBSA-N 1 2 332.372 2.563 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@](O)(C(F)(F)F)C3)nc2c1 ZINC000435055837 248208707 /nfs/dbraw/zinc/20/87/07/248208707.db2.gz KPRFYCFTSDPGTA-CYBMUJFWSA-N 1 2 345.277 2.625 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)C3)nc2c1 ZINC000435055837 248208710 /nfs/dbraw/zinc/20/87/10/248208710.db2.gz KPRFYCFTSDPGTA-CYBMUJFWSA-N 1 2 345.277 2.625 20 5 EFBDLO Cc1nc(C[N@@H+]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cs1 ZINC000266235718 248193207 /nfs/dbraw/zinc/19/32/07/248193207.db2.gz VOTFNUOFKZXRTK-UHFFFAOYSA-N 1 2 347.444 2.775 20 5 EFBDLO Cc1nc(C[N@H+]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cs1 ZINC000266235718 248193208 /nfs/dbraw/zinc/19/32/08/248193208.db2.gz VOTFNUOFKZXRTK-UHFFFAOYSA-N 1 2 347.444 2.775 20 5 EFBDLO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266547814 248354940 /nfs/dbraw/zinc/35/49/40/248354940.db2.gz SEDMNZMSAZZAIG-QWHCGFSZSA-N 1 2 345.403 2.726 20 5 EFBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091703513 218051846 /nfs/dbraw/zinc/05/18/46/218051846.db2.gz HAPYHJSUHYWVDE-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091703513 218051848 /nfs/dbraw/zinc/05/18/48/218051848.db2.gz HAPYHJSUHYWVDE-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000442795195 250119381 /nfs/dbraw/zinc/11/93/81/250119381.db2.gz BQQOZULMTQCLCP-ZDUSSCGKSA-N 1 2 327.344 2.540 20 5 EFBDLO C[C@H](CS(C)(=O)=O)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000093391943 218221193 /nfs/dbraw/zinc/22/11/93/218221193.db2.gz GBTXPEQAYDWIFZ-VUDGCMKMSA-N 1 2 338.429 2.506 20 5 EFBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000093391943 218221197 /nfs/dbraw/zinc/22/11/97/218221197.db2.gz GBTXPEQAYDWIFZ-VUDGCMKMSA-N 1 2 338.429 2.506 20 5 EFBDLO COCCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448672608 250756302 /nfs/dbraw/zinc/75/63/02/250756302.db2.gz HHVLZXUEHAPDCE-UHFFFAOYSA-N 1 2 346.387 2.525 20 5 EFBDLO COc1ccc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000449458456 251032420 /nfs/dbraw/zinc/03/24/20/251032420.db2.gz IEWWOMJASKJYAG-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1 ZINC000449526845 251053620 /nfs/dbraw/zinc/05/36/20/251053620.db2.gz XXACFFVJJFLXGL-SNVBAGLBSA-N 1 2 349.774 2.829 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1 ZINC000449526845 251053627 /nfs/dbraw/zinc/05/36/27/251053627.db2.gz XXACFFVJJFLXGL-SNVBAGLBSA-N 1 2 349.774 2.829 20 5 EFBDLO CC(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450070881 251249915 /nfs/dbraw/zinc/24/99/15/251249915.db2.gz BOPDBDKAWDMAJS-UHFFFAOYSA-N 1 2 328.372 2.947 20 5 EFBDLO O=C(NCC1(C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450206012 251297933 /nfs/dbraw/zinc/29/79/33/251297933.db2.gz RWUDFOBLWLJBSS-UHFFFAOYSA-N 1 2 326.356 2.701 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450326526 251347267 /nfs/dbraw/zinc/34/72/67/251347267.db2.gz YSCBQVQLGGJLMZ-QWHCGFSZSA-N 1 2 328.372 2.899 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152758341 224008875 /nfs/dbraw/zinc/00/88/75/224008875.db2.gz AWYAEFFTCXBYEN-YVEFUNNKSA-N 1 2 343.383 2.871 20 5 EFBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000042110118 285079681 /nfs/dbraw/zinc/07/96/81/285079681.db2.gz HVIWHBXTJVVUSP-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)CS(=O)(=O)CC ZINC000113001109 285106838 /nfs/dbraw/zinc/10/68/38/285106838.db2.gz NLXZDRVCSGZVDK-LBPRGKRZSA-N 1 2 328.434 2.548 20 5 EFBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)CS(=O)(=O)CC ZINC000113001109 285106839 /nfs/dbraw/zinc/10/68/39/285106839.db2.gz NLXZDRVCSGZVDK-LBPRGKRZSA-N 1 2 328.434 2.548 20 5 EFBDLO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181885790 296388267 /nfs/dbraw/zinc/38/82/67/296388267.db2.gz WKAVWHZYKYFKTI-CYBMUJFWSA-N 1 2 335.404 2.542 20 5 EFBDLO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181885790 296388269 /nfs/dbraw/zinc/38/82/69/296388269.db2.gz WKAVWHZYKYFKTI-CYBMUJFWSA-N 1 2 335.404 2.542 20 5 EFBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000153729765 224148923 /nfs/dbraw/zinc/14/89/23/224148923.db2.gz GNEHTJQJTMKZHA-QGZVFWFLSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000153729765 224148925 /nfs/dbraw/zinc/14/89/25/224148925.db2.gz GNEHTJQJTMKZHA-QGZVFWFLSA-N 1 2 343.383 2.507 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455480623 255617662 /nfs/dbraw/zinc/61/76/62/255617662.db2.gz OHZAJJKZMRVBSD-GXTWGEPZSA-N 1 2 343.387 2.681 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000456361330 255637257 /nfs/dbraw/zinc/63/72/57/255637257.db2.gz SEVXUSKVFOZTLT-LBPRGKRZSA-N 1 2 330.388 2.966 20 5 EFBDLO C[C@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1F ZINC000456418549 255641594 /nfs/dbraw/zinc/64/15/94/255641594.db2.gz LBNREYNQLTXWIL-PKFCDNJMSA-N 1 2 332.335 2.856 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178426573 533218487 /nfs/dbraw/zinc/21/84/87/533218487.db2.gz IAXBNJLPCXYPHO-DEOSSOPVSA-N 1 2 348.424 2.973 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178426573 533218492 /nfs/dbraw/zinc/21/84/92/533218492.db2.gz IAXBNJLPCXYPHO-DEOSSOPVSA-N 1 2 348.424 2.973 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093528672 285301205 /nfs/dbraw/zinc/30/12/05/285301205.db2.gz RXGSZXGNLXGSPL-AWEZNQCLSA-N 1 2 332.356 2.702 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093528672 285301208 /nfs/dbraw/zinc/30/12/08/285301208.db2.gz RXGSZXGNLXGSPL-AWEZNQCLSA-N 1 2 332.356 2.702 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Cl ZINC000154730087 224296684 /nfs/dbraw/zinc/29/66/84/224296684.db2.gz QXDVGMHXAMEIMO-JSGCOSHPSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Cl ZINC000154730087 224296687 /nfs/dbraw/zinc/29/66/87/224296687.db2.gz QXDVGMHXAMEIMO-JSGCOSHPSA-N 1 2 328.821 2.955 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000119294433 221287762 /nfs/dbraw/zinc/28/77/62/221287762.db2.gz SKVDLYMLWIGSTE-UHFFFAOYSA-N 1 2 328.372 2.541 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119370470 221306212 /nfs/dbraw/zinc/30/62/12/221306212.db2.gz RXLQFULYGCYPAP-CQSZACIVSA-N 1 2 342.399 2.732 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191814163 533433838 /nfs/dbraw/zinc/43/38/38/533433838.db2.gz OGMYSGGKMFDLNM-PWSUYJOCSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191814163 533433841 /nfs/dbraw/zinc/43/38/41/533433841.db2.gz OGMYSGGKMFDLNM-PWSUYJOCSA-N 1 2 326.780 2.879 20 5 EFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343519241 142011664 /nfs/dbraw/zinc/01/16/64/142011664.db2.gz PHUXHYBOEGRPQP-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000345030640 142113528 /nfs/dbraw/zinc/11/35/28/142113528.db2.gz XICVLEQKKRCKDZ-LBPRGKRZSA-N 1 2 332.360 2.663 20 5 EFBDLO Cc1cccn2cc(CNc3ncnc4cccc([N+](=O)[O-])c43)[nH+]c12 ZINC000347459714 142220761 /nfs/dbraw/zinc/22/07/61/142220761.db2.gz GCMGRJAIKMWTSG-UHFFFAOYSA-N 1 2 334.339 2.528 20 5 EFBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000347617592 142245444 /nfs/dbraw/zinc/24/54/44/142245444.db2.gz WACRFGXKGIPADE-OAHLLOKOSA-N 1 2 349.431 2.559 20 5 EFBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000347617592 142245445 /nfs/dbraw/zinc/24/54/45/142245445.db2.gz WACRFGXKGIPADE-OAHLLOKOSA-N 1 2 349.431 2.559 20 5 EFBDLO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000347733205 142263868 /nfs/dbraw/zinc/26/38/68/142263868.db2.gz OPCWTAPWVJJGEV-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000347733205 142263869 /nfs/dbraw/zinc/26/38/69/142263869.db2.gz OPCWTAPWVJJGEV-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347942502 142296965 /nfs/dbraw/zinc/29/69/65/142296965.db2.gz UGTVXZKFSAYJJL-CQSZACIVSA-N 1 2 325.328 2.777 20 5 EFBDLO Cc1ccc2nc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cn2c1 ZINC000342849507 145208456 /nfs/dbraw/zinc/20/84/56/145208456.db2.gz UBGBZBGPLFTPCA-UHFFFAOYSA-N 1 2 336.355 2.717 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342882053 145214779 /nfs/dbraw/zinc/21/47/79/145214779.db2.gz GVPRUIKBNZKKTR-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928198 145223815 /nfs/dbraw/zinc/22/38/15/145223815.db2.gz AXCVHMZKKRXJNE-UHFFFAOYSA-N 1 2 335.323 2.654 20 5 EFBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000343639293 145259455 /nfs/dbraw/zinc/25/94/55/145259455.db2.gz FZHDGIXUXCYYBW-IAQYHMDHSA-N 1 2 344.346 2.840 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000344095786 145367527 /nfs/dbraw/zinc/36/75/27/145367527.db2.gz ZGIACMGUROXOJL-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000344175552 145385299 /nfs/dbraw/zinc/38/52/99/145385299.db2.gz GETFAQHBHWGWOW-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000344175552 145385300 /nfs/dbraw/zinc/38/53/00/145385300.db2.gz GETFAQHBHWGWOW-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000344213663 145394107 /nfs/dbraw/zinc/39/41/07/145394107.db2.gz HUNVGZXUSXLBRA-UHFFFAOYSA-N 1 2 346.362 2.905 20 5 EFBDLO Cc1cc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000350817447 146093380 /nfs/dbraw/zinc/09/33/80/146093380.db2.gz ZOEWXZUSLYMAFJ-AWEZNQCLSA-N 1 2 329.360 2.910 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000351210263 146116225 /nfs/dbraw/zinc/11/62/25/146116225.db2.gz YUHNUVBUXZXFGY-AWEZNQCLSA-N 1 2 329.360 2.910 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000351613052 146158983 /nfs/dbraw/zinc/15/89/83/146158983.db2.gz ZUGMDWPUXQEOTE-NSHDSACASA-N 1 2 347.350 2.938 20 5 EFBDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351980905 146254721 /nfs/dbraw/zinc/25/47/21/146254721.db2.gz GAKTXYQRSZRGHS-WFASDCNBSA-N 1 2 339.823 2.543 20 5 EFBDLO Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)[nH+]1 ZINC000268033658 292159543 /nfs/dbraw/zinc/15/95/43/292159543.db2.gz YPGSDOFHDLPYHE-UHFFFAOYSA-N 1 2 329.312 2.630 20 5 EFBDLO Cc1ccc(Cc2noc(COc3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356113635 147150027 /nfs/dbraw/zinc/15/00/27/147150027.db2.gz QPWLPEPOVHJSSA-UHFFFAOYSA-N 1 2 326.312 2.851 20 5 EFBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685725 147309367 /nfs/dbraw/zinc/30/93/67/147309367.db2.gz XIFFOWWVLKPBBR-RDTXWAMCSA-N 1 2 345.443 2.990 20 5 EFBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685725 147309368 /nfs/dbraw/zinc/30/93/68/147309368.db2.gz XIFFOWWVLKPBBR-RDTXWAMCSA-N 1 2 345.443 2.990 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000356974713 147388610 /nfs/dbraw/zinc/38/86/10/147388610.db2.gz DQJXNOAGHPQXHM-UHFFFAOYSA-N 1 2 336.388 2.685 20 5 EFBDLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000359616915 148141613 /nfs/dbraw/zinc/14/16/13/148141613.db2.gz DVBTZRNZUVDLRE-QGZVFWFLSA-N 1 2 345.443 2.990 20 5 EFBDLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000359616915 148141615 /nfs/dbraw/zinc/14/16/15/148141615.db2.gz DVBTZRNZUVDLRE-QGZVFWFLSA-N 1 2 345.443 2.990 20 5 EFBDLO Cc1cc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664351 148156302 /nfs/dbraw/zinc/15/63/02/148156302.db2.gz XNXSUOXYEPCOPM-GDBMZVCRSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664351 148156304 /nfs/dbraw/zinc/15/63/04/148156304.db2.gz XNXSUOXYEPCOPM-GDBMZVCRSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NCC[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359848781 148206751 /nfs/dbraw/zinc/20/67/51/148206751.db2.gz XWAQOVOJZQIXNF-UHFFFAOYSA-N 1 2 333.310 2.666 20 5 EFBDLO CO[C@@](C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000359968232 148237941 /nfs/dbraw/zinc/23/79/41/148237941.db2.gz PALFCNPZPBVHGU-SFHVURJKSA-N 1 2 349.431 2.654 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010693 148249605 /nfs/dbraw/zinc/24/96/05/148249605.db2.gz OVNBKZAHPWQIJM-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000364064291 149059758 /nfs/dbraw/zinc/05/97/58/149059758.db2.gz QAMJCDCRUPUTRS-CYBMUJFWSA-N 1 2 343.387 2.967 20 5 EFBDLO CCCn1ncnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364626162 149201355 /nfs/dbraw/zinc/20/13/55/149201355.db2.gz ZZWNCUCZVMXBQX-UHFFFAOYSA-N 1 2 345.403 2.640 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000364827987 149253174 /nfs/dbraw/zinc/25/31/74/149253174.db2.gz CJVGJPCUFQVIMV-GFCCVEGCSA-N 1 2 329.360 2.740 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000365358222 149376987 /nfs/dbraw/zinc/37/69/87/149376987.db2.gz JBMDCJSIFPTXIQ-UHFFFAOYSA-N 1 2 327.388 2.732 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000365381896 149383053 /nfs/dbraw/zinc/38/30/53/149383053.db2.gz VLYTZNMNPGTQJB-CMDGGOBGSA-N 1 2 340.383 2.799 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368911898 150235616 /nfs/dbraw/zinc/23/56/16/150235616.db2.gz QPXKCQUOLVFJDD-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368911898 150235618 /nfs/dbraw/zinc/23/56/18/150235618.db2.gz QPXKCQUOLVFJDD-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO Cc1sc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000369367019 150337630 /nfs/dbraw/zinc/33/76/30/150337630.db2.gz VGFDDUXMWWTSRV-UHFFFAOYSA-N 1 2 334.401 2.770 20 5 EFBDLO Cc1nn(C)c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1[N+](=O)[O-] ZINC000373707551 151214082 /nfs/dbraw/zinc/21/40/82/151214082.db2.gz SAXNIPHEQKOXGG-UHFFFAOYSA-N 1 2 340.343 2.588 20 5 EFBDLO Cc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000373935645 151253310 /nfs/dbraw/zinc/25/33/10/151253310.db2.gz DLDSSSQIEZBQAS-UHFFFAOYSA-N 1 2 343.387 2.800 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC2CC2)CC1 ZINC000374078606 151280592 /nfs/dbraw/zinc/28/05/92/151280592.db2.gz AZRSCPQJDANSHB-CYBMUJFWSA-N 1 2 347.415 2.813 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374354494 151329281 /nfs/dbraw/zinc/32/92/81/151329281.db2.gz UNIOEIGMGHTBRT-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378408704 152078596 /nfs/dbraw/zinc/07/85/96/152078596.db2.gz JTLIHQGDOMCDIA-CYBMUJFWSA-N 1 2 334.763 2.878 20 5 EFBDLO CC(=O)N1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000407988710 152142686 /nfs/dbraw/zinc/14/26/86/152142686.db2.gz CXSRKLMHZKWCBP-UHFFFAOYSA-N 1 2 347.415 2.667 20 5 EFBDLO CC(=O)N1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000407988710 152142688 /nfs/dbraw/zinc/14/26/88/152142688.db2.gz CXSRKLMHZKWCBP-UHFFFAOYSA-N 1 2 347.415 2.667 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000067211562 292292820 /nfs/dbraw/zinc/29/28/20/292292820.db2.gz KWSNOZMIJZMUTF-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000067211562 292292821 /nfs/dbraw/zinc/29/28/21/292292821.db2.gz KWSNOZMIJZMUTF-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO CS(=O)(=O)CC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413577053 286592026 /nfs/dbraw/zinc/59/20/26/286592026.db2.gz HXBPVJKQQICCJH-UHFFFAOYSA-N 1 2 349.412 2.770 20 5 EFBDLO CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173940176 287391450 /nfs/dbraw/zinc/39/14/50/287391450.db2.gz QTMAKXWWHMIOSA-MRXNPFEDSA-N 1 2 348.428 2.874 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123131325 222221206 /nfs/dbraw/zinc/22/12/06/222221206.db2.gz SSTDFRAAEJQCEJ-XJKSGUPXSA-N 1 2 328.372 2.823 20 5 EFBDLO NC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000073448590 544465968 /nfs/dbraw/zinc/46/59/68/544465968.db2.gz AUFKVEVXCCKLOU-UHFFFAOYSA-N 1 2 341.371 2.823 20 5 EFBDLO Cc1ccccc1CN(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635843 265303675 /nfs/dbraw/zinc/30/36/75/265303675.db2.gz VSNKMNMODRHDIA-UHFFFAOYSA-N 1 2 341.411 2.994 20 5 EFBDLO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635843 265303679 /nfs/dbraw/zinc/30/36/79/265303679.db2.gz VSNKMNMODRHDIA-UHFFFAOYSA-N 1 2 341.411 2.994 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000272392209 266251919 /nfs/dbraw/zinc/25/19/19/266251919.db2.gz XXPYINQYOJMVBV-KDOFPFPSSA-N 1 2 344.415 2.945 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000272392209 266251922 /nfs/dbraw/zinc/25/19/22/266251922.db2.gz XXPYINQYOJMVBV-KDOFPFPSSA-N 1 2 344.415 2.945 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272536170 266297811 /nfs/dbraw/zinc/29/78/11/266297811.db2.gz OAEAZGLFJYWYLC-CVEARBPZSA-N 1 2 330.388 2.576 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272600286 266322902 /nfs/dbraw/zinc/32/29/02/266322902.db2.gz HDKGHEKJFZSUKU-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272600286 266322904 /nfs/dbraw/zinc/32/29/04/266322904.db2.gz HDKGHEKJFZSUKU-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO CC[N@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000273856833 266565674 /nfs/dbraw/zinc/56/56/74/266565674.db2.gz MCELXHVCZXYYCB-UHFFFAOYSA-N 1 2 331.376 2.617 20 5 EFBDLO CC[N@@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000273856833 266565676 /nfs/dbraw/zinc/56/56/76/266565676.db2.gz MCELXHVCZXYYCB-UHFFFAOYSA-N 1 2 331.376 2.617 20 5 EFBDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000275675491 266853049 /nfs/dbraw/zinc/85/30/49/266853049.db2.gz GOYVANHDPNGENZ-KRWDZBQOSA-N 1 2 346.358 2.650 20 5 EFBDLO CC(C)[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000276359710 266971313 /nfs/dbraw/zinc/97/13/13/266971313.db2.gz 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Cc1c(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000130130283 273018570 /nfs/dbraw/zinc/01/85/70/273018570.db2.gz ZLSZMJQTAUNWRX-MRXNPFEDSA-N 1 2 341.367 2.521 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278231912 267375294 /nfs/dbraw/zinc/37/52/94/267375294.db2.gz YLZNDHHMQITREC-IUODEOHRSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278231912 267375301 /nfs/dbraw/zinc/37/53/01/267375301.db2.gz YLZNDHHMQITREC-IUODEOHRSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000269670837 273088271 /nfs/dbraw/zinc/08/82/71/273088271.db2.gz XHFPCJVTTJRVGG-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000279074313 273173633 /nfs/dbraw/zinc/17/36/33/273173633.db2.gz KRAAAAHLVNBMPR-SECBINFHSA-N 1 2 347.400 2.649 20 5 EFBDLO CCc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279102562 273177008 /nfs/dbraw/zinc/17/70/08/273177008.db2.gz JIVYVFSNCWRENP-WFASDCNBSA-N 1 2 346.387 2.983 20 5 EFBDLO CCc1nnc([C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279102562 273177010 /nfs/dbraw/zinc/17/70/10/273177010.db2.gz JIVYVFSNCWRENP-WFASDCNBSA-N 1 2 346.387 2.983 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000279319361 273202280 /nfs/dbraw/zinc/20/22/80/273202280.db2.gz NYJWECWYPBBRAL-BNLOLNQZSA-N 1 2 347.415 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000279319361 273202282 /nfs/dbraw/zinc/20/22/82/273202282.db2.gz NYJWECWYPBBRAL-BNLOLNQZSA-N 1 2 347.415 2.730 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280122685 273293379 /nfs/dbraw/zinc/29/33/79/273293379.db2.gz BTSPABBSISJBBA-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280122685 273293381 /nfs/dbraw/zinc/29/33/81/273293381.db2.gz BTSPABBSISJBBA-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000283692473 273746675 /nfs/dbraw/zinc/74/66/75/273746675.db2.gz YZJDTBKOBCDLDU-INIZCTEOSA-N 1 2 346.387 2.564 20 5 EFBDLO Cc1cc(F)c(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000284065152 273792583 /nfs/dbraw/zinc/79/25/83/273792583.db2.gz QPKWWXVTSIZIFR-UHFFFAOYSA-N 1 2 347.350 2.825 20 5 EFBDLO CC(C)(C)c1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000284412771 273835593 /nfs/dbraw/zinc/83/55/93/273835593.db2.gz QQDAVOHSYYZJFO-UHFFFAOYSA-N 1 2 340.387 2.848 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285478412 274007828 /nfs/dbraw/zinc/00/78/28/274007828.db2.gz BHGWJEWBSCRAKH-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285478412 274007829 /nfs/dbraw/zinc/00/78/29/274007829.db2.gz BHGWJEWBSCRAKH-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285515452 274015784 /nfs/dbraw/zinc/01/57/84/274015784.db2.gz GHAOQUQRMWNHIY-ZDUSSCGKSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285515452 274015785 /nfs/dbraw/zinc/01/57/85/274015785.db2.gz GHAOQUQRMWNHIY-ZDUSSCGKSA-N 1 2 339.367 2.835 20 5 EFBDLO Cc1noc(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000285869099 274090733 /nfs/dbraw/zinc/09/07/33/274090733.db2.gz DWSUBGFHPKXDHA-UHFFFAOYSA-N 1 2 338.314 2.944 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCn3c(cc4ccccc43)C2)n1 ZINC000287296349 274388178 /nfs/dbraw/zinc/38/81/78/274388178.db2.gz KFQIVUYYFREBEP-UHFFFAOYSA-N 1 2 325.372 2.652 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCn3c(cc4ccccc43)C2)n1 ZINC000287296349 274388179 /nfs/dbraw/zinc/38/81/79/274388179.db2.gz KFQIVUYYFREBEP-UHFFFAOYSA-N 1 2 325.372 2.652 20 5 EFBDLO COCC[N@H+](Cc1ccccn1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000287321389 274393723 /nfs/dbraw/zinc/39/37/23/274393723.db2.gz KAVFRVMEPPETGT-UHFFFAOYSA-N 1 2 349.362 2.786 20 5 EFBDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000287321389 274393724 /nfs/dbraw/zinc/39/37/24/274393724.db2.gz KAVFRVMEPPETGT-UHFFFAOYSA-N 1 2 349.362 2.786 20 5 EFBDLO Nc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000287432312 274419134 /nfs/dbraw/zinc/41/91/34/274419134.db2.gz USEFGEDXFTVICA-UHFFFAOYSA-N 1 2 347.806 2.548 20 5 EFBDLO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c(OC)n1 ZINC000289765377 274818322 /nfs/dbraw/zinc/81/83/22/274818322.db2.gz XFDCGFHWMFZBLS-UHFFFAOYSA-N 1 2 337.763 2.950 20 5 EFBDLO CCCCC[N@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183037412 276227589 /nfs/dbraw/zinc/22/75/89/276227589.db2.gz WSRCMXHVFGPTKH-UHFFFAOYSA-N 1 2 346.387 2.727 20 5 EFBDLO CCCCC[N@@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183037412 276227591 /nfs/dbraw/zinc/22/75/91/276227591.db2.gz WSRCMXHVFGPTKH-UHFFFAOYSA-N 1 2 346.387 2.727 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000456399274 278023696 /nfs/dbraw/zinc/02/36/96/278023696.db2.gz UPAMRHZRAPQAJJ-SKDRFNHKSA-N 1 2 326.312 2.973 20 5 EFBDLO Cc1cnc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000266194070 279015328 /nfs/dbraw/zinc/01/53/28/279015328.db2.gz HGTMHXNPPLVXJC-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093417125 280002484 /nfs/dbraw/zinc/00/24/84/280002484.db2.gz ADLUBEFCOXBMQM-ZDUSSCGKSA-N 1 2 342.461 2.973 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093417125 280002486 /nfs/dbraw/zinc/00/24/86/280002486.db2.gz ADLUBEFCOXBMQM-ZDUSSCGKSA-N 1 2 342.461 2.973 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348184981 280369723 /nfs/dbraw/zinc/36/97/23/280369723.db2.gz XJGRADGYIIVQAP-UHFFFAOYSA-N 1 2 338.429 2.635 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348184981 280369724 /nfs/dbraw/zinc/36/97/24/280369724.db2.gz XJGRADGYIIVQAP-UHFFFAOYSA-N 1 2 338.429 2.635 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451889476 280372139 /nfs/dbraw/zinc/37/21/39/280372139.db2.gz MKKHYMUPRUABIF-PELKAZGASA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451889476 280372140 /nfs/dbraw/zinc/37/21/40/280372140.db2.gz MKKHYMUPRUABIF-PELKAZGASA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000072555635 280374884 /nfs/dbraw/zinc/37/48/84/280374884.db2.gz CORKAXZCWJXHNJ-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CCc1onc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089395912 292833054 /nfs/dbraw/zinc/83/30/54/292833054.db2.gz NVRCSKGNTJUYSR-UHFFFAOYSA-N 1 2 341.327 2.892 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127515696 293071552 /nfs/dbraw/zinc/07/15/52/293071552.db2.gz ULZWOPAKIDPMKD-HNNXBMFYSA-N 1 2 328.328 2.675 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000131081520 293186897 /nfs/dbraw/zinc/18/68/97/293186897.db2.gz XSKNDXLWMJILLM-VOTSOKGWSA-N 1 2 328.372 2.777 20 5 EFBDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153138652 293362379 /nfs/dbraw/zinc/36/23/79/293362379.db2.gz LLTXLBVQBPFZOE-AWEZNQCLSA-N 1 2 339.395 2.830 20 5 EFBDLO C[C@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153138652 293362381 /nfs/dbraw/zinc/36/23/81/293362381.db2.gz LLTXLBVQBPFZOE-AWEZNQCLSA-N 1 2 339.395 2.830 20 5 EFBDLO CC(C)CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153369018 293372658 /nfs/dbraw/zinc/37/26/58/293372658.db2.gz ATQQHBPHOUVSGS-UHFFFAOYSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153369018 293372662 /nfs/dbraw/zinc/37/26/62/293372662.db2.gz ATQQHBPHOUVSGS-UHFFFAOYSA-N 1 2 333.432 2.846 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000155951536 293493708 /nfs/dbraw/zinc/49/37/08/293493708.db2.gz GRMFSRVJWCGVBP-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000156308726 293505031 /nfs/dbraw/zinc/50/50/31/293505031.db2.gz QVFDALYHJWMEDY-UHFFFAOYSA-N 1 2 325.284 2.758 20 5 EFBDLO CC(C)(CCc1noc(CCc2[nH]c3ccccc3[nH+]2)n1)[N+](=O)[O-] ZINC000291061644 294262933 /nfs/dbraw/zinc/26/29/33/294262933.db2.gz KARVIVBMBBSBLV-UHFFFAOYSA-N 1 2 329.360 2.719 20 5 EFBDLO CC(C)(CCc1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1)[N+](=O)[O-] ZINC000291096620 294273756 /nfs/dbraw/zinc/27/37/56/294273756.db2.gz QKNJWWRGPMVEHL-UHFFFAOYSA-N 1 2 341.371 2.969 20 5 EFBDLO CC(C)(CCc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1)[N+](=O)[O-] ZINC000291107324 294277509 /nfs/dbraw/zinc/27/75/09/294277509.db2.gz SFXTUUJSKWXBKA-UHFFFAOYSA-N 1 2 327.344 2.910 20 5 EFBDLO Cc1cc(N2CC[C@H](O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292332121 294649653 /nfs/dbraw/zinc/64/96/53/294649653.db2.gz PNMGBMKZROKGGN-WFASDCNBSA-N 1 2 328.372 2.710 20 5 EFBDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000292932616 294828896 /nfs/dbraw/zinc/82/88/96/294828896.db2.gz CQOXTOXRFMVVIA-UHFFFAOYSA-N 1 2 332.360 2.752 20 5 EFBDLO CCC(CC)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000293656391 295021264 /nfs/dbraw/zinc/02/12/64/295021264.db2.gz KZRKKFYYELYLJN-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO Cc1cc(N2CCC[C@@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000293980684 295092023 /nfs/dbraw/zinc/09/20/23/295092023.db2.gz IJPBBYKKBQHALJ-OAHLLOKOSA-N 1 2 328.372 2.711 20 5 EFBDLO Cc1cc(N2CCC[C@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294155863 295120196 /nfs/dbraw/zinc/12/01/96/295120196.db2.gz RFAJXVURDIZSPC-AWEZNQCLSA-N 1 2 342.399 2.959 20 5 EFBDLO CC(C)(CCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N+](=O)[O-] ZINC000294326744 295148176 /nfs/dbraw/zinc/14/81/76/295148176.db2.gz FENZFXQAAQBUAV-UHFFFAOYSA-N 1 2 334.420 2.524 20 5 EFBDLO CN(C)c1cc(F)c(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000294461530 295171197 /nfs/dbraw/zinc/17/11/97/295171197.db2.gz ULJYBXNHOPMICP-UHFFFAOYSA-N 1 2 347.350 2.513 20 5 EFBDLO CCOC(=O)c1ccnc(NCCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000294899435 295242834 /nfs/dbraw/zinc/24/28/34/295242834.db2.gz DSHMPPULBIHMAI-UHFFFAOYSA-N 1 2 344.371 2.915 20 5 EFBDLO COc1cc(C[N@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1OC(F)F ZINC000295301851 295296523 /nfs/dbraw/zinc/29/65/23/295296523.db2.gz FIPLGCBPAZYAQH-UHFFFAOYSA-N 1 2 346.330 2.814 20 5 EFBDLO COc1cc(C[N@@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1OC(F)F ZINC000295301851 295296525 /nfs/dbraw/zinc/29/65/25/295296525.db2.gz FIPLGCBPAZYAQH-UHFFFAOYSA-N 1 2 346.330 2.814 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000295789237 295376593 /nfs/dbraw/zinc/37/65/93/295376593.db2.gz DXIZLENECGZWGC-CYBMUJFWSA-N 1 2 332.335 2.691 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000295867954 295388800 /nfs/dbraw/zinc/38/88/00/295388800.db2.gz LFCUKZFXYJXBLF-CYBMUJFWSA-N 1 2 332.335 2.691 20 5 EFBDLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000296277421 295451246 /nfs/dbraw/zinc/45/12/46/295451246.db2.gz DMSNARZZAKEISX-ZDUSSCGKSA-N 1 2 343.387 2.852 20 5 EFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171726767 310751369 /nfs/dbraw/zinc/75/13/69/310751369.db2.gz LXZWKUCCWCPEGP-CQSZACIVSA-N 1 2 329.360 2.755 20 5 EFBDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296627378 310832001 /nfs/dbraw/zinc/83/20/01/310832001.db2.gz XFEYBZHNRVQDPT-MRVPVSSYSA-N 1 2 341.293 2.837 20 5 EFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000297903791 310939171 /nfs/dbraw/zinc/93/91/71/310939171.db2.gz SCZRTLZELPXWNK-UHFFFAOYSA-N 1 2 331.294 2.650 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707179 311016321 /nfs/dbraw/zinc/01/63/21/311016321.db2.gz ABQFXXMUUHYWNW-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707179 311016323 /nfs/dbraw/zinc/01/63/23/311016323.db2.gz ABQFXXMUUHYWNW-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000298737909 311019123 /nfs/dbraw/zinc/01/91/23/311019123.db2.gz WEBFWJWGJOFYED-RYUDHWBXSA-N 1 2 329.360 2.742 20 5 EFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000299177309 311059129 /nfs/dbraw/zinc/05/91/29/311059129.db2.gz YMABUSVNGKBBJR-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000299177309 311059131 /nfs/dbraw/zinc/05/91/31/311059131.db2.gz YMABUSVNGKBBJR-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO COc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000299567092 311097708 /nfs/dbraw/zinc/09/77/08/311097708.db2.gz TULINSIEDSZFPA-GFCCVEGCSA-N 1 2 330.344 2.694 20 5 EFBDLO Cc1cc(NCCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 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O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302802683 311202068 /nfs/dbraw/zinc/20/20/68/311202068.db2.gz UWUYVVSHIFFOFT-UHFFFAOYSA-N 1 2 328.376 2.509 20 5 EFBDLO COc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000305145998 311217237 /nfs/dbraw/zinc/21/72/37/311217237.db2.gz NLGCHPNXPDIFHK-CQSZACIVSA-N 1 2 348.321 2.739 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331137394 311356422 /nfs/dbraw/zinc/35/64/22/311356422.db2.gz VYAYHEHIYTYYIZ-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331137394 311356424 /nfs/dbraw/zinc/35/64/24/311356424.db2.gz VYAYHEHIYTYYIZ-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331280577 311364662 /nfs/dbraw/zinc/36/46/62/311364662.db2.gz UGRSNZCERLVWCD-JQWIXIFHSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331280577 311364664 /nfs/dbraw/zinc/36/46/64/311364664.db2.gz UGRSNZCERLVWCD-JQWIXIFHSA-N 1 2 341.795 2.686 20 5 EFBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000331317879 311367195 /nfs/dbraw/zinc/36/71/95/311367195.db2.gz JSXCUOKLRCIRHS-HNNXBMFYSA-N 1 2 326.368 2.989 20 5 EFBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000331317879 311367197 /nfs/dbraw/zinc/36/71/97/311367197.db2.gz JSXCUOKLRCIRHS-HNNXBMFYSA-N 1 2 326.368 2.989 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314171 311367321 /nfs/dbraw/zinc/36/73/21/311367321.db2.gz IDOJEOKITWVNDK-DOMZBBRYSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314171 311367322 /nfs/dbraw/zinc/36/73/22/311367322.db2.gz IDOJEOKITWVNDK-DOMZBBRYSA-N 1 2 335.404 2.669 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000332657165 311531789 /nfs/dbraw/zinc/53/17/89/311531789.db2.gz OQHNWYZEDREXBH-ZDUSSCGKSA-N 1 2 342.399 2.834 20 5 EFBDLO Cc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420656211 312379942 /nfs/dbraw/zinc/37/99/42/312379942.db2.gz TVBFDSFPDSAUBY-UHFFFAOYSA-N 1 2 341.414 2.684 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450830114 312754171 /nfs/dbraw/zinc/75/41/71/312754171.db2.gz NGJVBSBOPBPCGR-LLVKDONJSA-N 1 2 332.360 2.700 20 5 EFBDLO CC[C@@H](O)[C@H](CC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450862540 312760894 /nfs/dbraw/zinc/76/08/94/312760894.db2.gz QYFXGDIOFMUOBY-LSDHHAIUSA-N 1 2 330.388 2.744 20 5 EFBDLO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000458223297 313087083 /nfs/dbraw/zinc/08/70/83/313087083.db2.gz MTFSSRQXWZBXIC-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000470211010 313130392 /nfs/dbraw/zinc/13/03/92/313130392.db2.gz FKOGMDILLNEWDJ-IDKBZEPQSA-N 1 2 331.416 2.845 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000470211010 313130393 /nfs/dbraw/zinc/13/03/93/313130393.db2.gz FKOGMDILLNEWDJ-IDKBZEPQSA-N 1 2 331.416 2.845 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CN1C(C)=O ZINC000472348014 313188181 /nfs/dbraw/zinc/18/81/81/313188181.db2.gz JBNSCIPJFQRLGJ-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CN1C(C)=O ZINC000472348014 313188184 /nfs/dbraw/zinc/18/81/84/313188184.db2.gz JBNSCIPJFQRLGJ-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CC(C)[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487095414 313365695 /nfs/dbraw/zinc/36/56/95/313365695.db2.gz CNBFMJHSEITOMY-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487095414 313365697 /nfs/dbraw/zinc/36/56/97/313365697.db2.gz CNBFMJHSEITOMY-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000491624485 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343.383 2.631 20 5 EFBDLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000521138857 316001571 /nfs/dbraw/zinc/00/15/71/316001571.db2.gz ZEDUUUFPSLXOAM-SUMWQHHRSA-N 1 2 341.367 2.773 20 5 EFBDLO C[NH+]1CCN(CCCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000526073747 316286831 /nfs/dbraw/zinc/28/68/31/316286831.db2.gz TURLCYIHOXHEEE-UHFFFAOYSA-N 1 2 326.828 2.688 20 5 EFBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C)[nH+]1 ZINC000530796629 317180381 /nfs/dbraw/zinc/18/03/81/317180381.db2.gz CBOOPUOQFFNVPV-UHFFFAOYSA-N 1 2 329.312 2.630 20 5 EFBDLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533016821 317463959 /nfs/dbraw/zinc/46/39/59/317463959.db2.gz KSJHTLNBTYDVJV-ZDUSSCGKSA-N 1 2 335.404 2.811 20 5 EFBDLO Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000536574771 317641775 /nfs/dbraw/zinc/64/17/75/317641775.db2.gz CXFUXPGFWSJUAN-UHFFFAOYSA-N 1 2 340.383 2.881 20 5 EFBDLO CC(C)NC(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540905941 317756526 /nfs/dbraw/zinc/75/65/26/317756526.db2.gz XYDVFJQARAVOOX-UHFFFAOYSA-N 1 2 345.403 2.822 20 5 EFBDLO Cc1noc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000548180458 318081775 /nfs/dbraw/zinc/08/17/75/318081775.db2.gz NXLVMPZYTRBQCP-UHFFFAOYSA-N 1 2 342.359 2.542 20 5 EFBDLO CSc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000548271686 318087983 /nfs/dbraw/zinc/08/79/83/318087983.db2.gz UAQWRBWAWWARHL-UHFFFAOYSA-N 1 2 334.401 2.723 20 5 EFBDLO Cc1cc(NC[C@]2(O)CCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549654596 318179232 /nfs/dbraw/zinc/17/92/32/318179232.db2.gz VLWFJBFGRIAHMK-KPZWWZAWSA-N 1 2 342.399 2.745 20 5 EFBDLO CCc1cc(NCCC[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000550856550 318198523 /nfs/dbraw/zinc/19/85/23/318198523.db2.gz BZZASKHJZXDNKN-CYBMUJFWSA-N 1 2 344.415 2.857 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000552265400 318251048 /nfs/dbraw/zinc/25/10/48/318251048.db2.gz 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CN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000566423773 319073132 /nfs/dbraw/zinc/07/31/32/319073132.db2.gz PXMBTTFQFBGGGA-UHFFFAOYSA-N 1 2 333.432 2.924 20 5 EFBDLO O=c1[nH]cnc2cc(NCc3ccn4cc[nH+]c4c3)c([N+](=O)[O-])cc21 ZINC000568378391 319277357 /nfs/dbraw/zinc/27/73/57/319277357.db2.gz DHSPEHAGDWOOLD-UHFFFAOYSA-N 1 2 336.311 2.503 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH+]1 ZINC000571172204 319548802 /nfs/dbraw/zinc/54/88/02/319548802.db2.gz QHTYORGPDZRGMJ-UHFFFAOYSA-N 1 2 327.344 2.773 20 5 EFBDLO CCc1ccc([C@H]([NH2+]C2CN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000573137001 319737331 /nfs/dbraw/zinc/73/73/31/319737331.db2.gz CTEYZHKRAAKLKR-GOSISDBHSA-N 1 2 343.383 2.660 20 5 EFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000576682404 320038380 /nfs/dbraw/zinc/03/83/80/320038380.db2.gz NKRCIYNBGPKAAX-BBRMVZONSA-N 1 2 334.351 2.916 20 5 EFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000576682404 320038381 /nfs/dbraw/zinc/03/83/81/320038381.db2.gz NKRCIYNBGPKAAX-BBRMVZONSA-N 1 2 334.351 2.916 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000578195970 320182955 /nfs/dbraw/zinc/18/29/55/320182955.db2.gz TXPGPPFPRQEVLX-JSGCOSHPSA-N 1 2 328.372 2.540 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC[C@H]3C3CCC3)n2)cc1 ZINC000578504224 320212392 /nfs/dbraw/zinc/21/23/92/320212392.db2.gz ZLFPAUJFPGFYAN-HNNXBMFYSA-N 1 2 344.371 2.646 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC[C@H]3C3CCC3)n2)cc1 ZINC000578504224 320212395 /nfs/dbraw/zinc/21/23/95/320212395.db2.gz ZLFPAUJFPGFYAN-HNNXBMFYSA-N 1 2 344.371 2.646 20 5 EFBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000578518799 320213904 /nfs/dbraw/zinc/21/39/04/320213904.db2.gz FQNPEYZHUUCTNJ-GFCCVEGCSA-N 1 2 349.822 2.692 20 5 EFBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000578518799 320213906 /nfs/dbraw/zinc/21/39/06/320213906.db2.gz FQNPEYZHUUCTNJ-GFCCVEGCSA-N 1 2 349.822 2.692 20 5 EFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000182248287 323272557 /nfs/dbraw/zinc/27/25/57/323272557.db2.gz IOMTVALPPZCCBY-OAHLLOKOSA-N 1 2 339.351 2.898 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000183237278 323324085 /nfs/dbraw/zinc/32/40/85/323324085.db2.gz LTXVLCJLQOYLPP-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581287372 324342551 /nfs/dbraw/zinc/34/25/51/324342551.db2.gz AEPWNHALCKLTJL-GXTWGEPZSA-N 1 2 328.372 2.828 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH+]1 ZINC000583636202 324845595 /nfs/dbraw/zinc/84/55/95/324845595.db2.gz MHGPHMGGMBLECQ-UHFFFAOYSA-N 1 2 343.387 2.866 20 5 EFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000124073273 473209498 /nfs/dbraw/zinc/20/94/98/473209498.db2.gz MAGRSABRVMHDJZ-UHFFFAOYSA-N 1 2 339.411 2.524 20 5 EFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000124073273 473209503 /nfs/dbraw/zinc/20/95/03/473209503.db2.gz MAGRSABRVMHDJZ-UHFFFAOYSA-N 1 2 339.411 2.524 20 5 EFBDLO Cc1c(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000095953123 473228585 /nfs/dbraw/zinc/22/85/85/473228585.db2.gz ISOTYCHRJWIWLA-UHFFFAOYSA-N 1 2 345.380 2.666 20 5 EFBDLO Cc1c(Br)c(N[C@H](C)c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000139876279 473239130 /nfs/dbraw/zinc/23/91/30/473239130.db2.gz IPIIWRPXJJGSFL-SSDOTTSWSA-N 1 2 326.154 2.957 20 5 EFBDLO O=C(C1CCCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000143065971 473271238 /nfs/dbraw/zinc/27/12/38/473271238.db2.gz DNCBXFKHWRLZTC-UHFFFAOYSA-N 1 2 331.416 2.819 20 5 EFBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000124778864 473302266 /nfs/dbraw/zinc/30/22/66/473302266.db2.gz WWLZMFGFMIDZFG-OAHLLOKOSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000124778864 473302275 /nfs/dbraw/zinc/30/22/75/473302275.db2.gz WWLZMFGFMIDZFG-OAHLLOKOSA-N 1 2 330.340 2.992 20 5 EFBDLO Cc1nc(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601239775 468793924 /nfs/dbraw/zinc/79/39/24/468793924.db2.gz BNFAJFHTOFIMPV-UHFFFAOYSA-N 1 2 345.428 2.859 20 5 EFBDLO CC1(C)C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)O1 ZINC000190561217 473320177 /nfs/dbraw/zinc/32/01/77/473320177.db2.gz KEZTWBYRNIMNGA-UHFFFAOYSA-N 1 2 336.388 2.851 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083247102 473338170 /nfs/dbraw/zinc/33/81/70/473338170.db2.gz CSFNGYZWQWGJCJ-MRXNPFEDSA-N 1 2 349.431 2.979 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083247102 473338176 /nfs/dbraw/zinc/33/81/76/473338176.db2.gz CSFNGYZWQWGJCJ-MRXNPFEDSA-N 1 2 349.431 2.979 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(N(C)CCO)c[nH+]1 ZINC000615721943 469305558 /nfs/dbraw/zinc/30/55/58/469305558.db2.gz FVRDKFVQFMLXTJ-UVTDQMKNSA-N 1 2 342.399 2.934 20 5 EFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000083577619 473352225 /nfs/dbraw/zinc/35/22/25/473352225.db2.gz WATFDRBBKLCEIJ-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO CCOC(=O)c1ccnc(NCCc2ccc(C)[nH+]c2)c1[N+](=O)[O-] ZINC000150839015 473364034 /nfs/dbraw/zinc/36/40/34/473364034.db2.gz PIFVJUWNSWGHTN-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO COCCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000362083565 475986080 /nfs/dbraw/zinc/98/60/80/475986080.db2.gz QJOXQCNYLQZBQW-UHFFFAOYSA-N 1 2 344.346 2.764 20 5 EFBDLO Cc1[nH+]c2ccccn2c1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459624126 478015249 /nfs/dbraw/zinc/01/52/49/478015249.db2.gz UMFXLMHIDVHWPG-UHFFFAOYSA-N 1 2 338.367 2.814 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000616487226 479923635 /nfs/dbraw/zinc/92/36/35/479923635.db2.gz DGZUWHIWQKPICH-QPEQYQDCSA-N 1 2 336.355 2.508 20 5 EFBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007039292 471586438 /nfs/dbraw/zinc/58/64/38/471586438.db2.gz PWYXRCZQWJVZDH-MRXNPFEDSA-N 1 2 328.372 2.709 20 5 EFBDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007039292 471586443 /nfs/dbraw/zinc/58/64/43/471586443.db2.gz PWYXRCZQWJVZDH-MRXNPFEDSA-N 1 2 328.372 2.709 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000008040661 471657464 /nfs/dbraw/zinc/65/74/64/471657464.db2.gz JFNPVBTVTQABEM-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000008199003 471671898 /nfs/dbraw/zinc/67/18/98/471671898.db2.gz RXENICSVUULBJK-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000008199003 471671903 /nfs/dbraw/zinc/67/19/03/471671903.db2.gz RXENICSVUULBJK-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000008199008 471672014 /nfs/dbraw/zinc/67/20/14/471672014.db2.gz RXENICSVUULBJK-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000008199008 471672017 /nfs/dbraw/zinc/67/20/17/471672017.db2.gz RXENICSVUULBJK-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO Cc1ccc2[nH+]c(COC(=O)COc3ccccc3[N+](=O)[O-])cn2c1 ZINC000008425338 471688324 /nfs/dbraw/zinc/68/83/24/471688324.db2.gz WYJVZZPIIYUTIL-UHFFFAOYSA-N 1 2 341.323 2.673 20 5 EFBDLO COc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000015480499 471907235 /nfs/dbraw/zinc/90/72/35/471907235.db2.gz PDHFRODXEPWTKQ-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000015480499 471907241 /nfs/dbraw/zinc/90/72/41/471907241.db2.gz PDHFRODXEPWTKQ-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000018232271 471973778 /nfs/dbraw/zinc/97/37/78/471973778.db2.gz ZHLYUMAFHGREII-QGZVFWFLSA-N 1 2 325.368 2.724 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000018232271 471973782 /nfs/dbraw/zinc/97/37/82/471973782.db2.gz ZHLYUMAFHGREII-QGZVFWFLSA-N 1 2 325.368 2.724 20 5 EFBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000034866166 471991726 /nfs/dbraw/zinc/99/17/26/471991726.db2.gz PJQKOUPNEIAYJX-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000034866166 471991731 /nfs/dbraw/zinc/99/17/31/471991731.db2.gz PJQKOUPNEIAYJX-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000023735775 472037055 /nfs/dbraw/zinc/03/70/55/472037055.db2.gz FKBXKINTYDWHAN-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000024152432 472047590 /nfs/dbraw/zinc/04/75/90/472047590.db2.gz VXKHPRDHPCPZSJ-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000024152432 472047595 /nfs/dbraw/zinc/04/75/95/472047595.db2.gz VXKHPRDHPCPZSJ-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000067913215 472108896 /nfs/dbraw/zinc/10/88/96/472108896.db2.gz VTQKDBQQUARJDW-NSHDSACASA-N 1 2 334.401 2.889 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042080378 472111777 /nfs/dbraw/zinc/11/17/77/472111777.db2.gz GONBJRDSKVAEMA-UHFFFAOYSA-N 1 2 336.351 2.842 20 5 EFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])on1 ZINC000067965749 472117021 /nfs/dbraw/zinc/11/70/21/472117021.db2.gz UKJQFEYURDNSIS-CYBMUJFWSA-N 1 2 344.371 2.975 20 5 EFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])on1 ZINC000067965749 472117027 /nfs/dbraw/zinc/11/70/27/472117027.db2.gz UKJQFEYURDNSIS-CYBMUJFWSA-N 1 2 344.371 2.975 20 5 EFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348879 472132788 /nfs/dbraw/zinc/13/27/88/472132788.db2.gz BXGGVLCTGZMNRP-ZDUSSCGKSA-N 1 2 345.374 2.871 20 5 EFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348879 472132792 /nfs/dbraw/zinc/13/27/92/472132792.db2.gz BXGGVLCTGZMNRP-ZDUSSCGKSA-N 1 2 345.374 2.871 20 5 EFBDLO Cc1occc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055054722 472134870 /nfs/dbraw/zinc/13/48/70/472134870.db2.gz RJHPBXIRIRPRLF-UHFFFAOYSA-N 1 2 329.356 2.517 20 5 EFBDLO Cc1occc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055054722 472134873 /nfs/dbraw/zinc/13/48/73/472134873.db2.gz RJHPBXIRIRPRLF-UHFFFAOYSA-N 1 2 329.356 2.517 20 5 EFBDLO COCC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000026448750 472137795 /nfs/dbraw/zinc/13/77/95/472137795.db2.gz JYSUUNQVMKVTHP-UHFFFAOYSA-N 1 2 348.355 2.703 20 5 EFBDLO COCC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000026448750 472137800 /nfs/dbraw/zinc/13/78/00/472137800.db2.gz JYSUUNQVMKVTHP-UHFFFAOYSA-N 1 2 348.355 2.703 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000026481233 472138743 /nfs/dbraw/zinc/13/87/43/472138743.db2.gz LASFWDTZUUOKDK-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552758 472154680 /nfs/dbraw/zinc/15/46/80/472154680.db2.gz JVIGMSZZDXAFOU-CYBMUJFWSA-N 1 2 343.387 2.526 20 5 EFBDLO CCN(CC)C(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588662 472163708 /nfs/dbraw/zinc/16/37/08/472163708.db2.gz IIOXKWZKEUPDSX-CQSZACIVSA-N 1 2 334.420 2.735 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000068422894 472186602 /nfs/dbraw/zinc/18/66/02/472186602.db2.gz XJBFGPWCYVFFGG-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO Cc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000043147329 472206079 /nfs/dbraw/zinc/20/60/79/472206079.db2.gz XQMUQFNDUKSFOR-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000043347541 472226368 /nfs/dbraw/zinc/22/63/68/472226368.db2.gz BSLPFYCIPVKGAB-UHFFFAOYSA-N 1 2 344.371 2.846 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)on1 ZINC000028623492 472230450 /nfs/dbraw/zinc/23/04/50/472230450.db2.gz CJQPCTLAXJWRJL-UHFFFAOYSA-N 1 2 336.779 2.867 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000028901282 472240456 /nfs/dbraw/zinc/24/04/56/472240456.db2.gz CJVGURWTCPTFIU-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000028901282 472240459 /nfs/dbraw/zinc/24/04/59/472240459.db2.gz CJVGURWTCPTFIU-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000029067832 472248038 /nfs/dbraw/zinc/24/80/38/472248038.db2.gz WCVMGKJKCFCRQE-INIZCTEOSA-N 1 2 336.351 2.848 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(F)c1 ZINC000029585054 472282204 /nfs/dbraw/zinc/28/22/04/472282204.db2.gz POMIEBHHRLSTNT-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1C(F)F ZINC000076198537 472295929 /nfs/dbraw/zinc/29/59/29/472295929.db2.gz IMCDCEKDLFWUGD-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1C(F)F ZINC000076198537 472295933 /nfs/dbraw/zinc/29/59/33/472295933.db2.gz IMCDCEKDLFWUGD-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000045026580 472365715 /nfs/dbraw/zinc/36/57/15/472365715.db2.gz VPBYUOHUWQVPRE-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000031313905 472372852 /nfs/dbraw/zinc/37/28/52/472372852.db2.gz GXYYCKHFPLNUSF-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000031313909 472373063 /nfs/dbraw/zinc/37/30/63/472373063.db2.gz MQAHJXGBGKISBJ-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000088702805 472381064 /nfs/dbraw/zinc/38/10/64/472381064.db2.gz CRVRQVUWOBDOJY-INIZCTEOSA-N 1 2 337.445 2.523 20 5 EFBDLO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+]1CCC(C)CC1 ZINC000031900685 472401552 /nfs/dbraw/zinc/40/15/52/472401552.db2.gz PEZVEGDRPHTXOY-MRXNPFEDSA-N 1 2 349.431 2.787 20 5 EFBDLO Cc1ccn2cc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH+]c2c1 ZINC000057255422 472405599 /nfs/dbraw/zinc/40/55/99/472405599.db2.gz RDRJJFLHOVWXJN-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000057267812 472407878 /nfs/dbraw/zinc/40/78/78/472407878.db2.gz DFUJTHHNFYNTTD-WEVVVXLNSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(Nc1cccc2c[nH]nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058625 472412143 /nfs/dbraw/zinc/41/21/43/472412143.db2.gz QLMUNWVMQVTGAJ-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000128294324 472432134 /nfs/dbraw/zinc/43/21/34/472432134.db2.gz YXNMOGGEPMQYSU-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000128294324 472432144 /nfs/dbraw/zinc/43/21/44/472432144.db2.gz YXNMOGGEPMQYSU-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000032499419 472440572 /nfs/dbraw/zinc/44/05/72/472440572.db2.gz CICMMQRWIUEDFC-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032486199 472441524 /nfs/dbraw/zinc/44/15/24/472441524.db2.gz FKSZPPKQFDDQBI-STQMWFEESA-N 1 2 328.372 2.899 20 5 EFBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000097103189 472447552 /nfs/dbraw/zinc/44/75/52/472447552.db2.gz ZCNAHDQDYVXZHR-UHFFFAOYSA-N 1 2 349.412 2.766 20 5 EFBDLO CCc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000128457985 472453432 /nfs/dbraw/zinc/45/34/32/472453432.db2.gz FSZKMDBJOYWEMI-UHFFFAOYSA-N 1 2 346.456 2.932 20 5 EFBDLO Cc1c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128484621 472458036 /nfs/dbraw/zinc/45/80/36/472458036.db2.gz DUGHJKPJOAILMO-LLVKDONJSA-N 1 2 331.338 2.972 20 5 EFBDLO Cc1c(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128484621 472458042 /nfs/dbraw/zinc/45/80/42/472458042.db2.gz DUGHJKPJOAILMO-LLVKDONJSA-N 1 2 331.338 2.972 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057681094 472460271 /nfs/dbraw/zinc/46/02/71/472460271.db2.gz QLJHPCIQSBNIMP-UHFFFAOYSA-N 1 2 336.351 2.842 20 5 EFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000032934504 472482183 /nfs/dbraw/zinc/48/21/83/472482183.db2.gz JUCPYGBGCWSPIC-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO O=C(Nc1cc[nH+]cc1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128770881 472493706 /nfs/dbraw/zinc/49/37/06/472493706.db2.gz LIJXLKRCUXGDAW-UHFFFAOYSA-N 1 2 338.117 2.710 20 5 EFBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000046195374 472526377 /nfs/dbraw/zinc/52/63/77/472526377.db2.gz UWQUXTKWUWIVRK-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(O)(C(F)(F)F)CC3)nc2c1 ZINC000089968685 472564634 /nfs/dbraw/zinc/56/46/34/472564634.db2.gz XFMKACGNIFKYTI-UHFFFAOYSA-N 1 2 345.277 2.625 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000089977081 472568048 /nfs/dbraw/zinc/56/80/48/472568048.db2.gz WKXYPPJDAGWCDD-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598868 472575888 /nfs/dbraw/zinc/57/58/88/472575888.db2.gz HKAHSWBSDWBRGN-UHFFFAOYSA-N 1 2 327.384 2.685 20 5 EFBDLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598868 472575894 /nfs/dbraw/zinc/57/58/94/472575894.db2.gz HKAHSWBSDWBRGN-UHFFFAOYSA-N 1 2 327.384 2.685 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(C1CC1)C1CC1 ZINC000155731846 472604684 /nfs/dbraw/zinc/60/46/84/472604684.db2.gz AVLCAMZHALDLJW-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(C1CC1)C1CC1 ZINC000155731846 472604693 /nfs/dbraw/zinc/60/46/93/472604693.db2.gz AVLCAMZHALDLJW-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120299134 472664610 /nfs/dbraw/zinc/66/46/10/472664610.db2.gz CSUCHXHHBGUQKA-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO CCCCc1[nH]c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH+]1 ZINC000120319485 472667589 /nfs/dbraw/zinc/66/75/89/472667589.db2.gz VRUDHRJKPVAJCE-UHFFFAOYSA-N 1 2 328.332 2.789 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131451249 472671222 /nfs/dbraw/zinc/67/12/22/472671222.db2.gz OTVFZGFTUBYMRA-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131451249 472671224 /nfs/dbraw/zinc/67/12/24/472671224.db2.gz OTVFZGFTUBYMRA-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000072577879 472681203 /nfs/dbraw/zinc/68/12/03/472681203.db2.gz AYENVMMJRWOJSE-HNNXBMFYSA-N 1 2 344.371 2.975 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000072577879 472681207 /nfs/dbraw/zinc/68/12/07/472681207.db2.gz AYENVMMJRWOJSE-HNNXBMFYSA-N 1 2 344.371 2.975 20 5 EFBDLO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000104766325 472691109 /nfs/dbraw/zinc/69/11/09/472691109.db2.gz IZZBSEWUQIASPX-JTQLQIEISA-N 1 2 337.767 2.903 20 5 EFBDLO Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000078625387 472744615 /nfs/dbraw/zinc/74/46/15/472744615.db2.gz XGDJXXWFLZUQSO-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000078625387 472744619 /nfs/dbraw/zinc/74/46/19/472744619.db2.gz XGDJXXWFLZUQSO-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cnc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631130 472746279 /nfs/dbraw/zinc/74/62/79/472746279.db2.gz DXFPPYAEDQUKKL-ZDUSSCGKSA-N 1 2 343.387 2.530 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105347738 472747754 /nfs/dbraw/zinc/74/77/54/472747754.db2.gz QYIPHKRSZALFRH-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000063262359 472763988 /nfs/dbraw/zinc/76/39/88/472763988.db2.gz VTQKDBQQUARJDW-LLVKDONJSA-N 1 2 334.401 2.889 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047976322 472791460 /nfs/dbraw/zinc/79/14/60/472791460.db2.gz MEHYVELOJALJPB-UHFFFAOYSA-N 1 2 332.385 2.787 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000121111557 472799716 /nfs/dbraw/zinc/79/97/16/472799716.db2.gz NGNLGJYCIZCHHX-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091988710 472837732 /nfs/dbraw/zinc/83/77/32/472837732.db2.gz HVLDZLDLTKSLEO-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000091988710 472837736 /nfs/dbraw/zinc/83/77/36/472837736.db2.gz HVLDZLDLTKSLEO-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000048275843 472845968 /nfs/dbraw/zinc/84/59/68/472845968.db2.gz JPUOBDJANBTEPV-UHFFFAOYSA-N 1 2 348.424 2.891 20 5 EFBDLO C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000048275843 472845972 /nfs/dbraw/zinc/84/59/72/472845972.db2.gz JPUOBDJANBTEPV-UHFFFAOYSA-N 1 2 348.424 2.891 20 5 EFBDLO O=C(CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000092055531 472849197 /nfs/dbraw/zinc/84/91/97/472849197.db2.gz PSKCFEVBKRJPAS-UHFFFAOYSA-N 1 2 347.415 2.525 20 5 EFBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000106876719 472904587 /nfs/dbraw/zinc/90/45/87/472904587.db2.gz QOHHBTRMZQBAHP-JTQLQIEISA-N 1 2 348.428 2.960 20 5 EFBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000106876719 472904592 /nfs/dbraw/zinc/90/45/92/472904592.db2.gz QOHHBTRMZQBAHP-JTQLQIEISA-N 1 2 348.428 2.960 20 5 EFBDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092399995 472906323 /nfs/dbraw/zinc/90/63/23/472906323.db2.gz OSUIDMJJYPQBEJ-KGLIPLIRSA-N 1 2 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C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127906200 473662819 /nfs/dbraw/zinc/66/28/19/473662819.db2.gz JIUUAHQDVAQSRW-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127906200 473662827 /nfs/dbraw/zinc/66/28/27/473662827.db2.gz JIUUAHQDVAQSRW-CYBMUJFWSA-N 1 2 328.372 2.646 20 5 EFBDLO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179315218 473673182 /nfs/dbraw/zinc/67/31/82/473673182.db2.gz DOSUUIKYHPCTDZ-UHFFFAOYSA-N 1 2 348.428 2.520 20 5 EFBDLO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179315218 473673186 /nfs/dbraw/zinc/67/31/86/473673186.db2.gz DOSUUIKYHPCTDZ-UHFFFAOYSA-N 1 2 348.428 2.520 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000172729099 473676656 /nfs/dbraw/zinc/67/66/56/473676656.db2.gz BQMXDROJNYQNHH-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186477334 473679604 /nfs/dbraw/zinc/67/96/04/473679604.db2.gz OIONZOXLYMBHHJ-SJKOYZFVSA-N 1 2 343.383 2.722 20 5 EFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH+]1 ZINC000179386431 473683273 /nfs/dbraw/zinc/68/32/73/473683273.db2.gz BPBLDXCTEXEFNH-UHFFFAOYSA-N 1 2 328.332 2.744 20 5 EFBDLO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000192633343 473698758 /nfs/dbraw/zinc/69/87/58/473698758.db2.gz LCOKCKPIUOXLAU-AWEZNQCLSA-N 1 2 327.384 2.904 20 5 EFBDLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000192633343 473698761 /nfs/dbraw/zinc/69/87/61/473698761.db2.gz LCOKCKPIUOXLAU-AWEZNQCLSA-N 1 2 327.384 2.904 20 5 EFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000192766095 473721904 /nfs/dbraw/zinc/72/19/04/473721904.db2.gz AZMFXORZDLNQPG-OAHLLOKOSA-N 1 2 348.428 2.724 20 5 EFBDLO Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000179817034 473733565 /nfs/dbraw/zinc/73/35/65/473733565.db2.gz GUTCPAWXNMQMHG-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO O=C(CCc1[nH]cc[nH+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287835935 473773300 /nfs/dbraw/zinc/77/33/00/473773300.db2.gz CJQQVMUXDGGESG-UHFFFAOYSA-N 1 2 342.277 2.586 20 5 EFBDLO Cc1cc(NCC2([S@@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281625141 473786962 /nfs/dbraw/zinc/78/69/62/473786962.db2.gz HTITZJGICNZUPB-XMMPIXPASA-N 1 2 346.412 2.683 20 5 EFBDLO Cc1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000193621808 473796192 /nfs/dbraw/zinc/79/61/92/473796192.db2.gz UGXIINIKJRNNOG-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263756586 473836317 /nfs/dbraw/zinc/83/63/17/473836317.db2.gz QBOIOBSDTQKLJA-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269682046 473859084 /nfs/dbraw/zinc/85/90/84/473859084.db2.gz YKPCZLSCVUQCJL-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269682046 473859090 /nfs/dbraw/zinc/85/90/90/473859090.db2.gz YKPCZLSCVUQCJL-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000288298754 473902145 /nfs/dbraw/zinc/90/21/45/473902145.db2.gz CAIHLTIHLVOBIS-UHFFFAOYSA-N 1 2 332.339 2.790 20 5 EFBDLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000194485574 473905285 /nfs/dbraw/zinc/90/52/85/473905285.db2.gz BPKZMZBXPTUSTD-CYBMUJFWSA-N 1 2 343.387 2.852 20 5 EFBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000274642218 473907112 /nfs/dbraw/zinc/90/71/12/473907112.db2.gz BHRLHBVEBLEIQI-UHFFFAOYSA-N 1 2 335.404 2.637 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000194919670 473975351 /nfs/dbraw/zinc/97/53/51/473975351.db2.gz PUADGTWDSSOKQK-LLVKDONJSA-N 1 2 345.321 2.832 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000194919670 473975358 /nfs/dbraw/zinc/97/53/58/473975358.db2.gz PUADGTWDSSOKQK-LLVKDONJSA-N 1 2 345.321 2.832 20 5 EFBDLO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000288628920 474005364 /nfs/dbraw/zinc/00/53/64/474005364.db2.gz YJLXZQVACMKJJQ-LLVKDONJSA-N 1 2 333.413 2.976 20 5 EFBDLO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000288628920 474005374 /nfs/dbraw/zinc/00/53/74/474005374.db2.gz YJLXZQVACMKJJQ-LLVKDONJSA-N 1 2 333.413 2.976 20 5 EFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000195199884 474028280 /nfs/dbraw/zinc/02/82/80/474028280.db2.gz OYKJFGBKDPKISF-UHFFFAOYSA-N 1 2 340.343 2.574 20 5 EFBDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000288733258 474035745 /nfs/dbraw/zinc/03/57/45/474035745.db2.gz FDORDOCYOBHXDL-JQWIXIFHSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000288733258 474035750 /nfs/dbraw/zinc/03/57/50/474035750.db2.gz FDORDOCYOBHXDL-JQWIXIFHSA-N 1 2 343.221 2.950 20 5 EFBDLO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000275067073 474058943 /nfs/dbraw/zinc/05/89/43/474058943.db2.gz STMUAFBFYBILQS-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000275067073 474058946 /nfs/dbraw/zinc/05/89/46/474058946.db2.gz STMUAFBFYBILQS-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CCc1[nH]nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000188330199 474061476 /nfs/dbraw/zinc/06/14/76/474061476.db2.gz DGECOSDPHMDSII-UHFFFAOYSA-N 1 2 326.316 2.523 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCCc2occc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000288906763 474086863 /nfs/dbraw/zinc/08/68/63/474086863.db2.gz SZEMVTINYSUFIM-UHFFFAOYSA-N 1 2 329.356 2.599 20 5 EFBDLO CN(C(=O)C[N@H+]1CCCc2occc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000288906763 474086869 /nfs/dbraw/zinc/08/68/69/474086869.db2.gz SZEMVTINYSUFIM-UHFFFAOYSA-N 1 2 329.356 2.599 20 5 EFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182122720 474103690 /nfs/dbraw/zinc/10/36/90/474103690.db2.gz LXLYFNMXWYIHFX-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182122720 474103694 /nfs/dbraw/zinc/10/36/94/474103694.db2.gz LXLYFNMXWYIHFX-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000264766565 474119866 /nfs/dbraw/zinc/11/98/66/474119866.db2.gz FJXANAOVTBMJEL-KRWDZBQOSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000264766565 474119873 /nfs/dbraw/zinc/11/98/73/474119873.db2.gz FJXANAOVTBMJEL-KRWDZBQOSA-N 1 2 343.358 2.971 20 5 EFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000270462613 474128794 /nfs/dbraw/zinc/12/87/94/474128794.db2.gz GLEYQZNMQNPMEL-HNNXBMFYSA-N 1 2 343.387 2.797 20 5 EFBDLO COc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000270561746 474170989 /nfs/dbraw/zinc/17/09/89/474170989.db2.gz LGXYNEBHEVHIDK-HNNXBMFYSA-N 1 2 341.383 2.511 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)C2 ZINC000275397887 474171424 /nfs/dbraw/zinc/17/14/24/474171424.db2.gz QZSSHVDOPDJRJJ-UHFFFAOYSA-N 1 2 341.415 2.982 20 5 EFBDLO C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1cccc([N+](=O)[O-])c1 ZINC000289209806 474185284 /nfs/dbraw/zinc/18/52/84/474185284.db2.gz ILMDIXNLOOQLLH-JTQLQIEISA-N 1 2 335.385 2.948 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Cl)n2)cc1[N+](=O)[O-] ZINC000289253293 474198307 /nfs/dbraw/zinc/19/83/07/474198307.db2.gz BONRHYCMOQQUDY-RKDXNWHRSA-N 1 2 336.783 2.736 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000182638060 474223797 /nfs/dbraw/zinc/22/37/97/474223797.db2.gz KMQROHAFJBPEAZ-LBPRGKRZSA-N 1 2 332.360 2.831 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000182638060 474223806 /nfs/dbraw/zinc/22/38/06/474223806.db2.gz KMQROHAFJBPEAZ-LBPRGKRZSA-N 1 2 332.360 2.831 20 5 EFBDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188897367 474227968 /nfs/dbraw/zinc/22/79/68/474227968.db2.gz BOVUXGQQECUTQN-LLVKDONJSA-N 1 2 348.428 2.675 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899402 474283069 /nfs/dbraw/zinc/28/30/69/474283069.db2.gz TUPVODPZAYDVDB-CHWSQXEVSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899402 474283075 /nfs/dbraw/zinc/28/30/75/474283075.db2.gz TUPVODPZAYDVDB-CHWSQXEVSA-N 1 2 347.415 2.683 20 5 EFBDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553126 474321745 /nfs/dbraw/zinc/32/17/45/474321745.db2.gz DOFANLNYXJUMDJ-SECBINFHSA-N 1 2 346.214 2.860 20 5 EFBDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553126 474321752 /nfs/dbraw/zinc/32/17/52/474321752.db2.gz DOFANLNYXJUMDJ-SECBINFHSA-N 1 2 346.214 2.860 20 5 EFBDLO C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000265774222 474332512 /nfs/dbraw/zinc/33/25/12/474332512.db2.gz FLTMAJHBDJXCLK-STQMWFEESA-N 1 2 348.428 2.724 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289640191 474357095 /nfs/dbraw/zinc/35/70/95/474357095.db2.gz CZIKEIARHBJIGV-JTQLQIEISA-N 1 2 343.330 2.519 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289640191 474357102 /nfs/dbraw/zinc/35/71/02/474357102.db2.gz CZIKEIARHBJIGV-JTQLQIEISA-N 1 2 343.330 2.519 20 5 EFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676716 474374337 /nfs/dbraw/zinc/37/43/37/474374337.db2.gz VBMHHFWHMBGCCB-NVXWUHKLSA-N 1 2 345.399 2.567 20 5 EFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676716 474374343 /nfs/dbraw/zinc/37/43/43/474374343.db2.gz VBMHHFWHMBGCCB-NVXWUHKLSA-N 1 2 345.399 2.567 20 5 EFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676722 474374412 /nfs/dbraw/zinc/37/44/12/474374412.db2.gz VBMHHFWHMBGCCB-RDJZCZTQSA-N 1 2 345.399 2.567 20 5 EFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676722 474374420 /nfs/dbraw/zinc/37/44/20/474374420.db2.gz VBMHHFWHMBGCCB-RDJZCZTQSA-N 1 2 345.399 2.567 20 5 EFBDLO Cc1cccn2cc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH+]c12 ZINC000608847206 480099897 /nfs/dbraw/zinc/09/98/97/480099897.db2.gz WBXVHWZDUGZSKY-UHFFFAOYSA-N 1 2 336.351 2.683 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000189449934 474401781 /nfs/dbraw/zinc/40/17/81/474401781.db2.gz AFCNHMMPTLUTJY-CZUORRHYSA-N 1 2 338.404 2.618 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H](C)O1 ZINC000189449934 474401788 /nfs/dbraw/zinc/40/17/88/474401788.db2.gz AFCNHMMPTLUTJY-CZUORRHYSA-N 1 2 338.404 2.618 20 5 EFBDLO COc1ccc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC000271168502 474416678 /nfs/dbraw/zinc/41/66/78/474416678.db2.gz KAXCOTFROGXFJE-UHFFFAOYSA-N 1 2 346.391 2.590 20 5 EFBDLO COc1ccc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000271168502 474416685 /nfs/dbraw/zinc/41/66/85/474416685.db2.gz KAXCOTFROGXFJE-UHFFFAOYSA-N 1 2 346.391 2.590 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000266367603 474430481 /nfs/dbraw/zinc/43/04/81/474430481.db2.gz LIPBHXLPSSUPAZ-CQSZACIVSA-N 1 2 342.399 2.882 20 5 EFBDLO CC(=O)c1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000283568109 474437588 /nfs/dbraw/zinc/43/75/88/474437588.db2.gz NVWVSVRNBWGTFR-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289816411 474439403 /nfs/dbraw/zinc/43/94/03/474439403.db2.gz NUUNMKZFSBTCMJ-MNOVXSKESA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289816411 474439408 /nfs/dbraw/zinc/43/94/08/474439408.db2.gz NUUNMKZFSBTCMJ-MNOVXSKESA-N 1 2 327.331 2.899 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289949433 474499160 /nfs/dbraw/zinc/49/91/60/474499160.db2.gz VXSAKCWHXRDKNL-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289949433 474499165 /nfs/dbraw/zinc/49/91/65/474499165.db2.gz VXSAKCWHXRDKNL-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289974756 474510437 /nfs/dbraw/zinc/51/04/37/474510437.db2.gz XJRQJIJXPGNDRQ-WQVCFCJDSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289974756 474510443 /nfs/dbraw/zinc/51/04/43/474510443.db2.gz XJRQJIJXPGNDRQ-WQVCFCJDSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289974748 474510529 /nfs/dbraw/zinc/51/05/29/474510529.db2.gz XJRQJIJXPGNDRQ-KCXAZCMYSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289974748 474510536 /nfs/dbraw/zinc/51/05/36/474510536.db2.gz XJRQJIJXPGNDRQ-KCXAZCMYSA-N 1 2 347.415 2.811 20 5 EFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000283893831 474521345 /nfs/dbraw/zinc/52/13/45/474521345.db2.gz CNZNEWCUVQSODI-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000283893831 474521349 /nfs/dbraw/zinc/52/13/49/474521349.db2.gz CNZNEWCUVQSODI-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000283950102 474533662 /nfs/dbraw/zinc/53/36/62/474533662.db2.gz ALTFGINBGSODLZ-JTQLQIEISA-N 1 2 341.205 2.894 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000283950102 474533667 /nfs/dbraw/zinc/53/36/67/474533667.db2.gz ALTFGINBGSODLZ-JTQLQIEISA-N 1 2 341.205 2.894 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290040568 474536348 /nfs/dbraw/zinc/53/63/48/474536348.db2.gz WKDVBMOUOVTUSP-AWEZNQCLSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290040568 474536352 /nfs/dbraw/zinc/53/63/52/474536352.db2.gz WKDVBMOUOVTUSP-AWEZNQCLSA-N 1 2 336.779 2.900 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190091274 474545637 /nfs/dbraw/zinc/54/56/37/474545637.db2.gz HXLVUSHHAUPWCV-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190091274 474545642 /nfs/dbraw/zinc/54/56/42/474545642.db2.gz HXLVUSHHAUPWCV-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088875 474545715 /nfs/dbraw/zinc/54/57/15/474545715.db2.gz DJMHIFDEZDYJFM-GFCCVEGCSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088875 474545722 /nfs/dbraw/zinc/54/57/22/474545722.db2.gz DJMHIFDEZDYJFM-GFCCVEGCSA-N 1 2 329.356 2.517 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000283999732 474546884 /nfs/dbraw/zinc/54/68/84/474546884.db2.gz GRORQXOQOMXYDQ-QGZVFWFLSA-N 1 2 343.339 2.595 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000283999732 474546888 /nfs/dbraw/zinc/54/68/88/474546888.db2.gz GRORQXOQOMXYDQ-QGZVFWFLSA-N 1 2 343.339 2.595 20 5 EFBDLO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000284050653 474559045 /nfs/dbraw/zinc/55/90/45/474559045.db2.gz JOGGRKZGYMZIKS-ZDUSSCGKSA-N 1 2 335.316 2.963 20 5 EFBDLO Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000184600519 474560542 /nfs/dbraw/zinc/56/05/42/474560542.db2.gz XQLWDQUWNNKOEK-UHFFFAOYSA-N 1 2 329.360 2.922 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000249575961 474594801 /nfs/dbraw/zinc/59/48/01/474594801.db2.gz AFCNHMMPTLUTJY-BBRMVZONSA-N 1 2 338.404 2.618 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H](C)O1 ZINC000249575961 474594805 /nfs/dbraw/zinc/59/48/05/474594805.db2.gz AFCNHMMPTLUTJY-BBRMVZONSA-N 1 2 338.404 2.618 20 5 EFBDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000184747987 474600472 /nfs/dbraw/zinc/60/04/72/474600472.db2.gz GLADVBLSZNUHKE-NSHDSACASA-N 1 2 348.428 2.927 20 5 EFBDLO C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1n1cc[nH+]c1 ZINC000278367848 474623636 /nfs/dbraw/zinc/62/36/36/474623636.db2.gz KWJYVZMXIGJCIB-LRDDRELGSA-N 1 2 327.388 2.847 20 5 EFBDLO C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1n1cc[nH+]c1 ZINC000278370579 474624765 /nfs/dbraw/zinc/62/47/65/474624765.db2.gz KWJYVZMXIGJCIB-WBMJQRKESA-N 1 2 327.388 2.847 20 5 EFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000272941671 474646170 /nfs/dbraw/zinc/64/61/70/474646170.db2.gz NRVISJIDEPIIOA-UHFFFAOYSA-N 1 2 340.426 2.562 20 5 EFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000272941671 474646172 /nfs/dbraw/zinc/64/61/72/474646172.db2.gz NRVISJIDEPIIOA-UHFFFAOYSA-N 1 2 340.426 2.562 20 5 EFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267329028 474649705 /nfs/dbraw/zinc/64/97/05/474649705.db2.gz AGROADRSGQWFLA-SNVBAGLBSA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974396 474654888 /nfs/dbraw/zinc/65/48/88/474654888.db2.gz WJANPOLQHVOUQG-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO Cc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974396 474654894 /nfs/dbraw/zinc/65/48/94/474654894.db2.gz WJANPOLQHVOUQG-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000267890248 474697981 /nfs/dbraw/zinc/69/79/81/474697981.db2.gz HHPABLQIGXFORW-JKSUJKDBSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000267890248 474697988 /nfs/dbraw/zinc/69/79/88/474697988.db2.gz HHPABLQIGXFORW-JKSUJKDBSA-N 1 2 348.424 2.981 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273087983 474708485 /nfs/dbraw/zinc/70/84/85/474708485.db2.gz IYKAYGKLUGANLZ-CQSZACIVSA-N 1 2 338.310 2.705 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292041277 474815979 /nfs/dbraw/zinc/81/59/79/474815979.db2.gz ACUUCSNZDVVFOD-UHFFFAOYSA-N 1 2 333.344 2.575 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292041277 474815985 /nfs/dbraw/zinc/81/59/85/474815985.db2.gz ACUUCSNZDVVFOD-UHFFFAOYSA-N 1 2 333.344 2.575 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000255294240 474829060 /nfs/dbraw/zinc/82/90/60/474829060.db2.gz OZUIATVTNQGROG-FIXGOIDJSA-N 1 2 340.383 2.914 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000617219556 480129623 /nfs/dbraw/zinc/12/96/23/480129623.db2.gz WCDIKJQVDVUDFS-OAHLLOKOSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOc1cc(C[N@H+]2CCCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000617219556 480129629 /nfs/dbraw/zinc/12/96/29/480129629.db2.gz WCDIKJQVDVUDFS-OAHLLOKOSA-N 1 2 336.388 2.911 20 5 EFBDLO C[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(C)c1 ZINC000273385889 474872709 /nfs/dbraw/zinc/87/27/09/474872709.db2.gz NTDDNRSXJWZMSK-GHMZBOCLSA-N 1 2 342.359 2.790 20 5 EFBDLO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000339065713 474893536 /nfs/dbraw/zinc/89/35/36/474893536.db2.gz NBSWBJWWKCFQMH-MRXNPFEDSA-N 1 2 332.356 2.522 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000255717193 474895500 /nfs/dbraw/zinc/89/55/00/474895500.db2.gz YUYDAUWNXVCJMJ-DETOXJSWSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268281082 474904424 /nfs/dbraw/zinc/90/44/24/474904424.db2.gz ROVRMGKMTQXPPS-WDEREUQCSA-N 1 2 332.389 2.588 20 5 EFBDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000273456896 474906984 /nfs/dbraw/zinc/90/69/84/474906984.db2.gz ZAHCPZIEKSWPIB-HJPURHCSSA-N 1 2 336.388 2.943 20 5 EFBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000339093592 474921476 /nfs/dbraw/zinc/92/14/76/474921476.db2.gz LNPCFMOUNPJZEY-UHFFFAOYSA-N 1 2 347.337 2.826 20 5 EFBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000339093592 474921485 /nfs/dbraw/zinc/92/14/85/474921485.db2.gz LNPCFMOUNPJZEY-UHFFFAOYSA-N 1 2 347.337 2.826 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)Cc1ccccc1 ZINC000293320115 474924658 /nfs/dbraw/zinc/92/46/58/474924658.db2.gz LZURKKDRTIFNLR-AWEZNQCLSA-N 1 2 336.338 2.908 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)Cc1ccccc1 ZINC000293320115 474924666 /nfs/dbraw/zinc/92/46/66/474924666.db2.gz LZURKKDRTIFNLR-AWEZNQCLSA-N 1 2 336.338 2.908 20 5 EFBDLO Cc1cc(N2CCOC[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273491560 474926901 /nfs/dbraw/zinc/92/69/01/474926901.db2.gz PHJXIKYHPBLSHE-INIZCTEOSA-N 1 2 340.383 2.975 20 5 EFBDLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120491 474946706 /nfs/dbraw/zinc/94/67/06/474946706.db2.gz PSUUAZTZUQNEOD-MRXNPFEDSA-N 1 2 330.384 2.990 20 5 EFBDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120491 474946713 /nfs/dbraw/zinc/94/67/13/474946713.db2.gz PSUUAZTZUQNEOD-MRXNPFEDSA-N 1 2 330.384 2.990 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000285319663 474971307 /nfs/dbraw/zinc/97/13/07/474971307.db2.gz NNUCZLJJPKXAMV-GXSJLCMTSA-N 1 2 328.315 2.504 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000285319663 474971315 /nfs/dbraw/zinc/97/13/15/474971315.db2.gz NNUCZLJJPKXAMV-GXSJLCMTSA-N 1 2 328.315 2.504 20 5 EFBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000273729847 475031068 /nfs/dbraw/zinc/03/10/68/475031068.db2.gz TVUAPWZBWIFWTO-UWVGGRQHSA-N 1 2 349.416 2.741 20 5 EFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000339220186 475052646 /nfs/dbraw/zinc/05/26/46/475052646.db2.gz XZRWCLYXDKPYLL-ZDUSSCGKSA-N 1 2 326.418 2.644 20 5 EFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000339220186 475052652 /nfs/dbraw/zinc/05/26/52/475052652.db2.gz XZRWCLYXDKPYLL-ZDUSSCGKSA-N 1 2 326.418 2.644 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269020265 475129594 /nfs/dbraw/zinc/12/95/94/475129594.db2.gz OJSVHSKEKRAHGN-CYBMUJFWSA-N 1 2 343.387 2.554 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000292686610 475150849 /nfs/dbraw/zinc/15/08/49/475150849.db2.gz AFTYQFPVPHBBOZ-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000292686610 475150855 /nfs/dbraw/zinc/15/08/55/475150855.db2.gz AFTYQFPVPHBBOZ-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cc1c(CC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295986400 475155579 /nfs/dbraw/zinc/15/55/79/475155579.db2.gz UJNITMURHXEIOP-MRXNPFEDSA-N 1 2 342.399 2.789 20 5 EFBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC(C)C ZINC000345462460 475204614 /nfs/dbraw/zinc/20/46/14/475204614.db2.gz MVFDIKSDEPEZJJ-AWEZNQCLSA-N 1 2 337.420 2.787 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000347320290 475228751 /nfs/dbraw/zinc/22/87/51/475228751.db2.gz WOYDGEBNEKSZSB-LBPRGKRZSA-N 1 2 345.334 2.529 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000339469753 475236457 /nfs/dbraw/zinc/23/64/57/475236457.db2.gz BSGVIFUUSHPEKP-CYBMUJFWSA-N 1 2 342.399 2.622 20 5 EFBDLO COCCc1noc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347363521 475266589 /nfs/dbraw/zinc/26/65/89/475266589.db2.gz RGMRWZWQGMHCPO-LCYFTJDESA-N 1 2 346.387 2.702 20 5 EFBDLO COCCc1noc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347363521 475266596 /nfs/dbraw/zinc/26/65/96/475266596.db2.gz RGMRWZWQGMHCPO-LCYFTJDESA-N 1 2 346.387 2.702 20 5 EFBDLO C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339518202 475270180 /nfs/dbraw/zinc/27/01/80/475270180.db2.gz MNOITLIYHRQIEM-OCCSQVGLSA-N 1 2 328.372 2.947 20 5 EFBDLO COc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000352424877 475283236 /nfs/dbraw/zinc/28/32/36/475283236.db2.gz VAQMMWHSVRCEBP-ZDUSSCGKSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000352424877 475283245 /nfs/dbraw/zinc/28/32/45/475283245.db2.gz VAQMMWHSVRCEBP-ZDUSSCGKSA-N 1 2 336.779 2.900 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296437144 475315234 /nfs/dbraw/zinc/31/52/34/475315234.db2.gz SVLPZJOIYFCISW-ZDUSSCGKSA-N 1 2 329.360 2.943 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000361275215 475319656 /nfs/dbraw/zinc/31/96/56/475319656.db2.gz VVMNMMOVKYPFOX-UHFFFAOYSA-N 1 2 326.360 2.505 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339600968 475338369 /nfs/dbraw/zinc/33/83/69/475338369.db2.gz KWUSGOHDVJFBJQ-NSHDSACASA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339600968 475338374 /nfs/dbraw/zinc/33/83/74/475338374.db2.gz KWUSGOHDVJFBJQ-NSHDSACASA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1cc(N(C)Cc2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345658439 475342760 /nfs/dbraw/zinc/34/27/60/475342760.db2.gz YCKSSXGYVBGEHU-UHFFFAOYSA-N 1 2 338.371 2.974 20 5 EFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(NCC2CC2)[nH+]cn1 ZINC000337832869 475361293 /nfs/dbraw/zinc/36/12/93/475361293.db2.gz WKXZZUJBBPTNJS-UHFFFAOYSA-N 1 2 327.388 2.886 20 5 EFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(NCC2CC2)nc[nH+]1 ZINC000337832869 475361301 /nfs/dbraw/zinc/36/13/01/475361301.db2.gz WKXZZUJBBPTNJS-UHFFFAOYSA-N 1 2 327.388 2.886 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000339657379 475384003 /nfs/dbraw/zinc/38/40/03/475384003.db2.gz KNYNQHWXLDDLLM-CYBMUJFWSA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000339657379 475384007 /nfs/dbraw/zinc/38/40/07/475384007.db2.gz KNYNQHWXLDDLLM-CYBMUJFWSA-N 1 2 336.779 2.635 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CC(F)(F)F)no1 ZINC000352550976 475404675 /nfs/dbraw/zinc/40/46/75/475404675.db2.gz RYVZZSOPJVVMAR-UHFFFAOYSA-N 1 2 344.293 2.757 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CC(F)(F)F)no1 ZINC000352550976 475404681 /nfs/dbraw/zinc/40/46/81/475404681.db2.gz RYVZZSOPJVVMAR-UHFFFAOYSA-N 1 2 344.293 2.757 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000358126595 475421399 /nfs/dbraw/zinc/42/13/99/475421399.db2.gz QBUXBJTXGLCNDV-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953482 475467140 /nfs/dbraw/zinc/46/71/40/475467140.db2.gz KVIFXSBTXDXFCJ-PEYYIBSZSA-N 1 2 334.372 2.607 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953482 475467146 /nfs/dbraw/zinc/46/71/46/475467146.db2.gz KVIFXSBTXDXFCJ-PEYYIBSZSA-N 1 2 334.372 2.607 20 5 EFBDLO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296826757 475493181 /nfs/dbraw/zinc/49/31/81/475493181.db2.gz SAVCICBMFLILKJ-OAHLLOKOSA-N 1 2 341.795 2.545 20 5 EFBDLO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296826757 475493190 /nfs/dbraw/zinc/49/31/90/475493190.db2.gz SAVCICBMFLILKJ-OAHLLOKOSA-N 1 2 341.795 2.545 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000354911907 475513804 /nfs/dbraw/zinc/51/38/04/475513804.db2.gz AVMZKBBZHWTPLF-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO Cc1nn(Cc2cn3cc(Br)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000354927978 475529161 /nfs/dbraw/zinc/52/91/61/475529161.db2.gz DOXXFRDROMKJOK-UHFFFAOYSA-N 1 2 336.149 2.558 20 5 EFBDLO COc1cc(C)nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000339842005 475549802 /nfs/dbraw/zinc/54/98/02/475549802.db2.gz OWBSULBWJRNAQU-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000342159478 475565769 /nfs/dbraw/zinc/56/57/69/475565769.db2.gz ULLDNVSAZZMVHE-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1)[NH+]1CCOCC1 ZINC000354975827 475571164 /nfs/dbraw/zinc/57/11/64/475571164.db2.gz MDORRMZYMQAAQD-GFCCVEGCSA-N 1 2 344.371 2.568 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ncc[nH]1 ZINC000348363850 475622781 /nfs/dbraw/zinc/62/27/81/475622781.db2.gz DRVWRLBUYOSQRN-HNNXBMFYSA-N 1 2 349.822 2.850 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ncc[nH]1 ZINC000348363850 475622788 /nfs/dbraw/zinc/62/27/88/475622788.db2.gz DRVWRLBUYOSQRN-HNNXBMFYSA-N 1 2 349.822 2.850 20 5 EFBDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000332392286 475623785 /nfs/dbraw/zinc/62/37/85/475623785.db2.gz MOHMAFQZQNFMDJ-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO CCOC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000355047581 475623773 /nfs/dbraw/zinc/62/37/73/475623773.db2.gz FTMYTQDBSKIDCK-QQOXCAACSA-N 1 2 348.399 2.556 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332405158 475628023 /nfs/dbraw/zinc/62/80/23/475628023.db2.gz OUHDSELDEMUYCV-UHFFFAOYSA-N 1 2 333.323 2.869 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332405158 475628028 /nfs/dbraw/zinc/62/80/28/475628028.db2.gz OUHDSELDEMUYCV-UHFFFAOYSA-N 1 2 333.323 2.869 20 5 EFBDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000332405139 475629018 /nfs/dbraw/zinc/62/90/18/475629018.db2.gz XFYLOFDWQBPUJS-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000332424301 475634488 /nfs/dbraw/zinc/63/44/88/475634488.db2.gz BBPHZDLHGGCPGZ-NSHDSACASA-N 1 2 333.417 2.638 20 5 EFBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000346549302 475650584 /nfs/dbraw/zinc/65/05/84/475650584.db2.gz JXTIDJVQVALWJK-DGCLKSJQSA-N 1 2 344.346 2.840 20 5 EFBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000346549304 475650690 /nfs/dbraw/zinc/65/06/90/475650690.db2.gz JXTIDJVQVALWJK-YPMHNXCESA-N 1 2 344.346 2.840 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000358411863 475657716 /nfs/dbraw/zinc/65/77/16/475657716.db2.gz KNXDFXBZSDTHAZ-UHFFFAOYSA-N 1 2 342.330 2.549 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000332605482 475684386 /nfs/dbraw/zinc/68/43/86/475684386.db2.gz DTDCLBREFPXKBD-GFCCVEGCSA-N 1 2 342.399 2.834 20 5 EFBDLO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000358498372 475726867 /nfs/dbraw/zinc/72/68/67/475726867.db2.gz PCEZFLZSYKLHGB-UHFFFAOYSA-N 1 2 330.731 2.644 20 5 EFBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000348542628 475742864 /nfs/dbraw/zinc/74/28/64/475742864.db2.gz AXWGPOAGOPUASG-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000348542628 475742870 /nfs/dbraw/zinc/74/28/70/475742870.db2.gz AXWGPOAGOPUASG-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353182372 475749575 /nfs/dbraw/zinc/74/95/75/475749575.db2.gz NRMNCNZHMBLKSI-LLVKDONJSA-N 1 2 341.314 2.622 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353182372 475749580 /nfs/dbraw/zinc/74/95/80/475749580.db2.gz NRMNCNZHMBLKSI-LLVKDONJSA-N 1 2 341.314 2.622 20 5 EFBDLO Cc1cccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000348570310 475763564 /nfs/dbraw/zinc/76/35/64/475763564.db2.gz KHQORHPWRQPSES-UHFFFAOYSA-N 1 2 339.355 2.980 20 5 EFBDLO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000348570310 475763570 /nfs/dbraw/zinc/76/35/70/475763570.db2.gz KHQORHPWRQPSES-UHFFFAOYSA-N 1 2 339.355 2.980 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353198795 475763967 /nfs/dbraw/zinc/76/39/67/475763967.db2.gz HZCVLXZXUHYHOK-LBPRGKRZSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353198795 475763974 /nfs/dbraw/zinc/76/39/74/475763974.db2.gz HZCVLXZXUHYHOK-LBPRGKRZSA-N 1 2 343.330 2.662 20 5 EFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000353205687 475769075 /nfs/dbraw/zinc/76/90/75/475769075.db2.gz PRMPTVGRZLLVDR-SECBINFHSA-N 1 2 336.298 2.557 20 5 EFBDLO Cn1cnc2cc(C[NH+]3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000297511864 475788536 /nfs/dbraw/zinc/78/85/36/475788536.db2.gz XHIZQQVBBDGBQR-UHFFFAOYSA-N 1 2 338.367 2.745 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2[nH+]1 ZINC000340153491 475805587 /nfs/dbraw/zinc/80/55/87/475805587.db2.gz UDZHXEBMQHJMHD-UHFFFAOYSA-N 1 2 346.368 2.889 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH+]1 ZINC000340152996 475806215 /nfs/dbraw/zinc/80/62/15/475806215.db2.gz OJVGIIXNESNUII-UHFFFAOYSA-N 1 2 346.368 2.889 20 5 EFBDLO COc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000355338412 475842453 /nfs/dbraw/zinc/84/24/53/475842453.db2.gz MGQCFVQNIGQPKI-UHFFFAOYSA-N 1 2 342.311 2.512 20 5 EFBDLO COc1cc2c(cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC000355364146 475870157 /nfs/dbraw/zinc/87/01/57/475870157.db2.gz BEYXLEOLNRMQOT-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO COc1cc2c(cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC000355364146 475870166 /nfs/dbraw/zinc/87/01/66/475870166.db2.gz BEYXLEOLNRMQOT-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340247886 475886929 /nfs/dbraw/zinc/88/69/29/475886929.db2.gz QJBLXJKFUCJBOL-MRXNPFEDSA-N 1 2 341.346 2.774 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355385054 475891761 /nfs/dbraw/zinc/89/17/61/475891761.db2.gz VYYZQXICYFVLAA-GHMZBOCLSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355385054 475891767 /nfs/dbraw/zinc/89/17/67/475891767.db2.gz VYYZQXICYFVLAA-GHMZBOCLSA-N 1 2 326.780 2.879 20 5 EFBDLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297802328 475892249 /nfs/dbraw/zinc/89/22/49/475892249.db2.gz YDVHMONAWZJQMJ-ZDUSSCGKSA-N 1 2 343.387 2.899 20 5 EFBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343259737 475898490 /nfs/dbraw/zinc/89/84/90/475898490.db2.gz BSMXFFVFVGTARW-UHFFFAOYSA-N 1 2 337.420 2.541 20 5 EFBDLO Cc1cc(N(C)[C@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343285180 475919733 /nfs/dbraw/zinc/91/97/33/475919733.db2.gz KPKJHFCNWIVYST-GJZGRUSLSA-N 1 2 328.372 2.710 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000358835275 475977116 /nfs/dbraw/zinc/97/71/16/475977116.db2.gz VRZKBPHJYWIROB-UHFFFAOYSA-N 1 2 329.385 2.537 20 5 EFBDLO Cc1c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cccc1[N+](=O)[O-] ZINC000343353623 475978364 /nfs/dbraw/zinc/97/83/64/475978364.db2.gz UDXPIJMDYBJBPU-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000338523741 475980225 /nfs/dbraw/zinc/98/02/25/475980225.db2.gz AEEJHIPHYDYGKF-UHFFFAOYSA-N 1 2 326.312 2.894 20 5 EFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000343366052 475992097 /nfs/dbraw/zinc/99/20/97/475992097.db2.gz NYVWJXGFLWLZRD-UHFFFAOYSA-N 1 2 341.302 2.626 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340383586 475998948 /nfs/dbraw/zinc/99/89/48/475998948.db2.gz UAKLUQGAVCWIOX-UHFFFAOYSA-N 1 2 338.367 2.612 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000346978586 476006141 /nfs/dbraw/zinc/00/61/41/476006141.db2.gz UBFXRAMDMBFNEG-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000346978586 476006146 /nfs/dbraw/zinc/00/61/46/476006146.db2.gz UBFXRAMDMBFNEG-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000338554893 476007370 /nfs/dbraw/zinc/00/73/70/476007370.db2.gz ZMDCLPZVNTYXBA-UHFFFAOYSA-N 1 2 340.339 2.571 20 5 EFBDLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549772 476024348 /nfs/dbraw/zinc/02/43/48/476024348.db2.gz FFDKZJDBASKRMY-OAHLLOKOSA-N 1 2 330.388 2.846 20 5 EFBDLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549772 476024359 /nfs/dbraw/zinc/02/43/59/476024359.db2.gz FFDKZJDBASKRMY-OAHLLOKOSA-N 1 2 330.388 2.846 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000353526468 476048030 /nfs/dbraw/zinc/04/80/30/476048030.db2.gz ARVRLSZDOZBXAS-GFCCVEGCSA-N 1 2 328.294 2.960 20 5 EFBDLO COc1cc(C[NH2+][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000362174690 476051681 /nfs/dbraw/zinc/05/16/81/476051681.db2.gz BFOOQYRVENCLOO-CQSZACIVSA-N 1 2 338.310 2.705 20 5 EFBDLO C[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362189857 476060477 /nfs/dbraw/zinc/06/04/77/476060477.db2.gz PMCNZWMBNBQFFT-SECBINFHSA-N 1 2 342.277 2.851 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000353577106 476093599 /nfs/dbraw/zinc/09/35/99/476093599.db2.gz SKNIXCVVZSUXKK-OAHLLOKOSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000353577106 476093607 /nfs/dbraw/zinc/09/36/07/476093607.db2.gz SKNIXCVVZSUXKK-OAHLLOKOSA-N 1 2 336.388 2.780 20 5 EFBDLO CCc1cc(NCC[C@@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338719706 476132041 /nfs/dbraw/zinc/13/20/41/476132041.db2.gz IUOSQGXYQBRVTB-GFCCVEGCSA-N 1 2 330.388 2.873 20 5 EFBDLO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000340596072 476135342 /nfs/dbraw/zinc/13/53/42/476135342.db2.gz QSHYKNNFKMLKSR-CYBMUJFWSA-N 1 2 330.388 2.521 20 5 EFBDLO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)c(Br)c1 ZINC000362282087 476139963 /nfs/dbraw/zinc/13/99/63/476139963.db2.gz FFDDWEJDAWJUOQ-UHFFFAOYSA-N 1 2 338.165 2.671 20 5 EFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340643454 476175981 /nfs/dbraw/zinc/17/59/81/476175981.db2.gz UQURNAIYXQHOIQ-LLVKDONJSA-N 1 2 339.355 2.819 20 5 EFBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000347237739 476194226 /nfs/dbraw/zinc/19/42/26/476194226.db2.gz XPXFVSONWHEPCR-UHFFFAOYSA-N 1 2 337.445 2.875 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347292014 476236096 /nfs/dbraw/zinc/23/60/96/476236096.db2.gz VBGIAVIHDWCGDI-OAHLLOKOSA-N 1 2 346.318 2.814 20 5 EFBDLO COC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCC1 ZINC000351094124 476336981 /nfs/dbraw/zinc/33/69/81/476336981.db2.gz QHNLNHLRLLNCNR-UHFFFAOYSA-N 1 2 341.327 2.856 20 5 EFBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141501 476346269 /nfs/dbraw/zinc/34/62/69/476346269.db2.gz CNEJZHWWFQKURG-GHMZBOCLSA-N 1 2 341.327 2.873 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)F)CC1 ZINC000362729118 476373223 /nfs/dbraw/zinc/37/32/23/476373223.db2.gz OAPIVRFTKILRNR-JTQLQIEISA-N 1 2 327.331 2.899 20 5 EFBDLO COC(=O)c1cc(NCc2cn3ccccc3[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000362755850 476388949 /nfs/dbraw/zinc/38/89/49/476388949.db2.gz LDGPRJSYZYYXDH-UHFFFAOYSA-N 1 2 340.339 2.950 20 5 EFBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363492609 476408165 /nfs/dbraw/zinc/40/81/65/476408165.db2.gz FVMYWSJUHRQTPL-AWEZNQCLSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363492609 476408171 /nfs/dbraw/zinc/40/81/71/476408171.db2.gz FVMYWSJUHRQTPL-AWEZNQCLSA-N 1 2 346.387 2.683 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000362796699 476412896 /nfs/dbraw/zinc/41/28/96/476412896.db2.gz WIFYOCYCMQDIKF-CQSZACIVSA-N 1 2 327.340 2.592 20 5 EFBDLO COC(=O)c1cc(C)nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000357535674 476437404 /nfs/dbraw/zinc/43/74/04/476437404.db2.gz PPBIUDNXGXHMDO-LLVKDONJSA-N 1 2 333.348 2.617 20 5 EFBDLO Cc1cc(Cc2noc(C[C@@H](C)n3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000351430484 476454389 /nfs/dbraw/zinc/45/43/89/476454389.db2.gz OGTNKWONEHUTEK-GFCCVEGCSA-N 1 2 327.344 2.877 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000360892626 476459999 /nfs/dbraw/zinc/45/99/99/476459999.db2.gz RUHLTBNIDUUBAV-UHFFFAOYSA-N 1 2 329.356 2.713 20 5 EFBDLO COCCOC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354193084 476491541 /nfs/dbraw/zinc/49/15/41/476491541.db2.gz YYSVHGXWCCNXCV-UHFFFAOYSA-N 1 2 332.356 2.702 20 5 EFBDLO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354199672 476495954 /nfs/dbraw/zinc/49/59/54/476495954.db2.gz GVTDKOJPIAAKKC-ZDUSSCGKSA-N 1 2 335.404 2.541 20 5 EFBDLO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354199672 476495963 /nfs/dbraw/zinc/49/59/63/476495963.db2.gz GVTDKOJPIAAKKC-ZDUSSCGKSA-N 1 2 335.404 2.541 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000374781774 476525987 /nfs/dbraw/zinc/52/59/87/476525987.db2.gz OLJJEVIJKBYZIZ-UHFFFAOYSA-N 1 2 335.367 2.910 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000352189817 476537480 /nfs/dbraw/zinc/53/74/80/476537480.db2.gz JRTRYGGWUXXYMB-MRXNPFEDSA-N 1 2 329.331 2.947 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000352189817 476537486 /nfs/dbraw/zinc/53/74/86/476537486.db2.gz JRTRYGGWUXXYMB-MRXNPFEDSA-N 1 2 329.331 2.947 20 5 EFBDLO NC(=O)c1ccc(C[NH2+]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000352211936 476554021 /nfs/dbraw/zinc/55/40/21/476554021.db2.gz MRZCLPQOMPPBHN-UHFFFAOYSA-N 1 2 327.331 2.751 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374884576 476573057 /nfs/dbraw/zinc/57/30/57/476573057.db2.gz ZBYYFWMBCRGINA-GFCCVEGCSA-N 1 2 335.747 2.628 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374884577 476573302 /nfs/dbraw/zinc/57/33/02/476573302.db2.gz ZBYYFWMBCRGINA-LBPRGKRZSA-N 1 2 335.747 2.628 20 5 EFBDLO CCc1cc(NCC[C@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361069182 476580763 /nfs/dbraw/zinc/58/07/63/476580763.db2.gz XRZUYRJYYOLVHR-INIZCTEOSA-N 1 2 344.415 2.855 20 5 EFBDLO CCc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000369938085 476596470 /nfs/dbraw/zinc/59/64/70/476596470.db2.gz SKRWRUHVAYKPQD-UHFFFAOYSA-N 1 2 342.399 2.663 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361125117 476618547 /nfs/dbraw/zinc/61/85/47/476618547.db2.gz HYVIPJQWOBDBPO-QGZVFWFLSA-N 1 2 338.379 2.894 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361125117 476618551 /nfs/dbraw/zinc/61/85/51/476618551.db2.gz HYVIPJQWOBDBPO-QGZVFWFLSA-N 1 2 338.379 2.894 20 5 EFBDLO COc1ccc(F)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361136319 476628704 /nfs/dbraw/zinc/62/87/04/476628704.db2.gz NPDNYDNTTCHNNA-UHFFFAOYSA-N 1 2 330.319 2.909 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000365666962 476669390 /nfs/dbraw/zinc/66/93/90/476669390.db2.gz CPYFUJWRBPPHLB-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C[N@@H+]1C ZINC000444292832 476724245 /nfs/dbraw/zinc/72/42/45/476724245.db2.gz SWYYRGBJJGUXCV-KGLIPLIRSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C[N@H+]1C ZINC000444292832 476724250 /nfs/dbraw/zinc/72/42/50/476724250.db2.gz SWYYRGBJJGUXCV-KGLIPLIRSA-N 1 2 349.434 2.846 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375311239 476770675 /nfs/dbraw/zinc/77/06/75/476770675.db2.gz VWJPBZFLFZTTNX-INIZCTEOSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375311239 476770681 /nfs/dbraw/zinc/77/06/81/476770681.db2.gz VWJPBZFLFZTTNX-INIZCTEOSA-N 1 2 347.415 2.733 20 5 EFBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219065 476783724 /nfs/dbraw/zinc/78/37/24/476783724.db2.gz KPZUOGOZQCIZKX-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219065 476783730 /nfs/dbraw/zinc/78/37/30/476783730.db2.gz KPZUOGOZQCIZKX-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000370392395 476788282 /nfs/dbraw/zinc/78/82/82/476788282.db2.gz YPBMBWXJZCXTGO-JSGCOSHPSA-N 1 2 328.372 2.540 20 5 EFBDLO CC(C)OCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000413982836 476821409 /nfs/dbraw/zinc/82/14/09/476821409.db2.gz BXCCUWGWMCHJBF-UHFFFAOYSA-N 1 2 346.387 2.714 20 5 EFBDLO CC(C)OCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000413997829 476826119 /nfs/dbraw/zinc/82/61/19/476826119.db2.gz IOAOHFPOKSSODN-UHFFFAOYSA-N 1 2 346.387 2.714 20 5 EFBDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737922 476913744 /nfs/dbraw/zinc/91/37/44/476913744.db2.gz CWWDUTHMTLLEDI-GOSISDBHSA-N 1 2 339.395 2.782 20 5 EFBDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737922 476913753 /nfs/dbraw/zinc/91/37/53/476913753.db2.gz CWWDUTHMTLLEDI-GOSISDBHSA-N 1 2 339.395 2.782 20 5 EFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000452340411 476923572 /nfs/dbraw/zinc/92/35/72/476923572.db2.gz IHPKGYSEQMFMER-UHFFFAOYSA-N 1 2 341.371 2.954 20 5 EFBDLO CCS(=O)(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000446839778 476924619 /nfs/dbraw/zinc/92/46/19/476924619.db2.gz CCKDDOKUSLIYHX-ALCCZGGFSA-N 1 2 338.429 2.507 20 5 EFBDLO COc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1OC ZINC000446831940 476926110 /nfs/dbraw/zinc/92/61/10/476926110.db2.gz KHPPLRZRRUTAKT-UHFFFAOYSA-N 1 2 342.355 2.778 20 5 EFBDLO CC[C@@H](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452416426 476955471 /nfs/dbraw/zinc/95/54/71/476955471.db2.gz DRBQNAWHPWPRFY-WBMJQRKESA-N 1 2 346.387 2.571 20 5 EFBDLO CC[C@@H](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452416423 476956021 /nfs/dbraw/zinc/95/60/21/476956021.db2.gz DRBQNAWHPWPRFY-MLGOLLRUSA-N 1 2 346.387 2.571 20 5 EFBDLO CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000452570075 477003324 /nfs/dbraw/zinc/00/33/24/477003324.db2.gz AKZBRKKPIBOMDA-XKQJLSEDSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000452570075 477003329 /nfs/dbraw/zinc/00/33/29/477003329.db2.gz AKZBRKKPIBOMDA-XKQJLSEDSA-N 1 2 349.431 2.661 20 5 EFBDLO C[C@@H]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000416114970 477024202 /nfs/dbraw/zinc/02/42/02/477024202.db2.gz MNEZETZXVBIZHO-UPJWGTAASA-N 1 2 328.372 2.897 20 5 EFBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000431422304 477026776 /nfs/dbraw/zinc/02/67/76/477026776.db2.gz NDAAGZJGFKABOK-UHFFFAOYSA-N 1 2 344.350 2.659 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(Cn4cc[nH+]c4)c3)nc2c1 ZINC000447680695 477035021 /nfs/dbraw/zinc/03/50/21/477035021.db2.gz SAWHUHCWHUJCAE-UHFFFAOYSA-N 1 2 348.366 2.750 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000370955483 477056148 /nfs/dbraw/zinc/05/61/48/477056148.db2.gz ZXDHPQGMLBEUGM-RZIFZGNASA-N 1 2 340.383 2.807 20 5 EFBDLO C[C@H](C[C@@H]1CCCO1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816166 477065198 /nfs/dbraw/zinc/06/51/98/477065198.db2.gz JBIHVQNUIGMWFU-ZBFHGGJFSA-N 1 2 349.431 2.797 20 5 EFBDLO CO[C@H]1CCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817916 477065755 /nfs/dbraw/zinc/06/57/55/477065755.db2.gz TZMRYPQQRRUMKM-YJBOKZPZSA-N 1 2 349.431 2.654 20 5 EFBDLO COc1cccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000411013431 477089392 /nfs/dbraw/zinc/08/93/92/477089392.db2.gz BGUCBUQGQQXKOC-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO Cc1cccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000375934778 477091179 /nfs/dbraw/zinc/09/11/79/477091179.db2.gz UACBRLGVNYEKHC-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO CCNc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000411047746 477096758 /nfs/dbraw/zinc/09/67/58/477096758.db2.gz GQEKLCUMHMHIMS-GXFFZTMASA-N 1 2 329.360 2.659 20 5 EFBDLO Cc1cc(N2CCOC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371317394 477238112 /nfs/dbraw/zinc/23/81/12/477238112.db2.gz AZSVGRQCQDDHAQ-GFCCVEGCSA-N 1 2 328.372 2.833 20 5 EFBDLO CC1(C)C[C@H]([NH2+]Cc2nnnn2CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433237301 477318281 /nfs/dbraw/zinc/31/82/81/477318281.db2.gz VSZZTXMLYLSQKB-HNNXBMFYSA-N 1 2 342.403 2.504 20 5 EFBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000411727470 477346081 /nfs/dbraw/zinc/34/60/81/477346081.db2.gz RVTBQHWXIZTVJQ-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000411727470 477346085 /nfs/dbraw/zinc/34/60/85/477346085.db2.gz RVTBQHWXIZTVJQ-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000424306520 477365438 /nfs/dbraw/zinc/36/54/38/477365438.db2.gz IFYDUYOXAPBAIU-OAHLLOKOSA-N 1 2 328.372 2.951 20 5 EFBDLO COc1ccnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000424311307 477366868 /nfs/dbraw/zinc/36/68/68/477366868.db2.gz UTRNRNFLTAJFRJ-CQSZACIVSA-N 1 2 328.372 2.906 20 5 EFBDLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367158577 477369770 /nfs/dbraw/zinc/36/97/70/477369770.db2.gz SYXAKFMDEPNQES-UHFFFAOYSA-N 1 2 327.340 2.916 20 5 EFBDLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367158577 477369777 /nfs/dbraw/zinc/36/97/77/477369777.db2.gz SYXAKFMDEPNQES-UHFFFAOYSA-N 1 2 327.340 2.916 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000454855824 477404785 /nfs/dbraw/zinc/40/47/85/477404785.db2.gz NNTZZIUNMOFAII-LBPRGKRZSA-N 1 2 331.376 2.680 20 5 EFBDLO Cc1c(CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454853321 477404803 /nfs/dbraw/zinc/40/48/03/477404803.db2.gz KUSUYAAHUJLRBG-GWCFXTLKSA-N 1 2 329.360 2.605 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000413034253 477479690 /nfs/dbraw/zinc/47/96/90/477479690.db2.gz NNUIMULVQCEMPX-MRXNPFEDSA-N 1 2 346.362 2.614 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000413055815 477489955 /nfs/dbraw/zinc/48/99/55/477489955.db2.gz BRDDMIIFQNWAFS-PHIMTYICSA-N 1 2 347.350 2.881 20 5 EFBDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455091580 477495488 /nfs/dbraw/zinc/49/54/88/477495488.db2.gz ITBRYSPDQPPHDD-JSGCOSHPSA-N 1 2 343.387 2.588 20 5 EFBDLO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000455097582 477498205 /nfs/dbraw/zinc/49/82/05/477498205.db2.gz CUVGZDVCLHQZNH-UHIISALHSA-N 1 2 329.360 2.858 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367454718 477519259 /nfs/dbraw/zinc/51/92/59/477519259.db2.gz VKRPIHUGYCVKPG-AWEZNQCLSA-N 1 2 342.399 2.883 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC000371849087 477525944 /nfs/dbraw/zinc/52/59/44/477525944.db2.gz CZFPAJFLNJRRAA-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc([N+](=O)[O-])cc1F ZINC000413120523 477530980 /nfs/dbraw/zinc/53/09/80/477530980.db2.gz RAIMZZTYOKDWLS-UHFFFAOYSA-N 1 2 333.245 2.524 20 5 EFBDLO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436716628 477568995 /nfs/dbraw/zinc/56/89/95/477568995.db2.gz UKBVSZOTLRUFQY-FZMZJTMJSA-N 1 2 347.371 2.753 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377002701 477597789 /nfs/dbraw/zinc/59/77/89/477597789.db2.gz XASCRVUOBSVOOO-CYBMUJFWSA-N 1 2 343.387 2.967 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377002703 477598252 /nfs/dbraw/zinc/59/82/52/477598252.db2.gz XASCRVUOBSVOOO-ZDUSSCGKSA-N 1 2 343.387 2.967 20 5 EFBDLO CS(=O)(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413278243 477606265 /nfs/dbraw/zinc/60/62/65/477606265.db2.gz DZHDHHNHYFAUTQ-AWEZNQCLSA-N 1 2 349.412 2.547 20 5 EFBDLO COCCn1cc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)cn1 ZINC000413280330 477606839 /nfs/dbraw/zinc/60/68/39/477606839.db2.gz IUTMUCKMWXTIQY-UHFFFAOYSA-N 1 2 327.344 2.598 20 5 EFBDLO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436887483 477625652 /nfs/dbraw/zinc/62/56/52/477625652.db2.gz KKQFPSCUWSXBPM-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436887483 477625658 /nfs/dbraw/zinc/62/56/58/477625658.db2.gz KKQFPSCUWSXBPM-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455492297 477657345 /nfs/dbraw/zinc/65/73/45/477657345.db2.gz YEYJBKXWQLVAGH-XHDPSFHLSA-N 1 2 341.371 2.565 20 5 EFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450740494 477701490 /nfs/dbraw/zinc/70/14/90/477701490.db2.gz VKAIBXUEFFEKHJ-SECBINFHSA-N 1 2 342.277 2.709 20 5 EFBDLO C[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CS1 ZINC000413517534 477709555 /nfs/dbraw/zinc/70/95/55/477709555.db2.gz MKYZLVITWQBYFQ-GXTWGEPZSA-N 1 2 337.445 2.733 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000372248613 477713283 /nfs/dbraw/zinc/71/32/83/477713283.db2.gz ITKOKPBEHPRJJG-LLVKDONJSA-N 1 2 332.335 2.546 20 5 EFBDLO COC(=O)Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450823539 477730094 /nfs/dbraw/zinc/73/00/94/477730094.db2.gz VMAJAPNPGRGBSL-MFKMUULPSA-N 1 2 330.344 2.625 20 5 EFBDLO Cc1cc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420851310 477795549 /nfs/dbraw/zinc/79/55/49/477795549.db2.gz QRYDIQWRRMCAKF-UHFFFAOYSA-N 1 2 342.399 2.991 20 5 EFBDLO Cc1cc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420849334 477795714 /nfs/dbraw/zinc/79/57/14/477795714.db2.gz NPNRMGSSXDVTJT-UHFFFAOYSA-N 1 2 343.387 2.518 20 5 EFBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456154827 477801882 /nfs/dbraw/zinc/80/18/82/477801882.db2.gz XNQFHYFEXVGWMK-AWEZNQCLSA-N 1 2 328.372 2.575 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](CC)O1 ZINC000420958074 477856237 /nfs/dbraw/zinc/85/62/37/477856237.db2.gz OUQSCWOZZMOSBK-IYBDPMFKSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](CC)O1 ZINC000420958074 477856245 /nfs/dbraw/zinc/85/62/45/477856245.db2.gz OUQSCWOZZMOSBK-IYBDPMFKSA-N 1 2 336.388 2.851 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428355095 477875187 /nfs/dbraw/zinc/87/51/87/477875187.db2.gz NRYYAAYTHKPHAE-LLVKDONJSA-N 1 2 346.412 2.648 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456359027 477885290 /nfs/dbraw/zinc/88/52/90/477885290.db2.gz CSAITPIBFVAAGO-RNCFNFMXSA-N 1 2 334.763 2.809 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456362272 477887364 /nfs/dbraw/zinc/88/73/64/477887364.db2.gz DVFRHWHSYKYVQO-WFASDCNBSA-N 1 2 343.387 2.806 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000456382814 477901288 /nfs/dbraw/zinc/90/12/88/477901288.db2.gz LAAUSTGOAQUAPG-ZDUSSCGKSA-N 1 2 345.403 2.881 20 5 EFBDLO COc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1C ZINC000456399472 477912662 /nfs/dbraw/zinc/91/26/62/477912662.db2.gz CWOOPTHFXVXUPN-SKDRFNHKSA-N 1 2 330.344 2.544 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000516533838 477944226 /nfs/dbraw/zinc/94/42/26/477944226.db2.gz YXVARCFKQUWVFG-UHFFFAOYSA-N 1 2 325.328 2.586 20 5 EFBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000494467077 477990993 /nfs/dbraw/zinc/99/09/93/477990993.db2.gz QOPVVABRFGGAIW-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000494467077 477991000 /nfs/dbraw/zinc/99/10/00/477991000.db2.gz QOPVVABRFGGAIW-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO Cc1cccc2[nH+]cc(CN3CC(Oc4ccc([N+](=O)[O-])cc4)C3)n21 ZINC000459617012 478012493 /nfs/dbraw/zinc/01/24/93/478012493.db2.gz BDJPJVXBQCBMQV-UHFFFAOYSA-N 1 2 338.367 2.814 20 5 EFBDLO CC[C@H](C[C@H](C)CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439710879 478021042 /nfs/dbraw/zinc/02/10/42/478021042.db2.gz PHVPJRBMLLWWGJ-SWLSCSKDSA-N 1 2 344.415 2.991 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451577651 478106366 /nfs/dbraw/zinc/10/63/66/478106366.db2.gz VUZBRLQZUAVFAS-YGRLFVJLSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451577651 478106369 /nfs/dbraw/zinc/10/63/69/478106369.db2.gz VUZBRLQZUAVFAS-YGRLFVJLSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429331040 478114422 /nfs/dbraw/zinc/11/44/22/478114422.db2.gz NFHKBQJOSQHKDV-GFCCVEGCSA-N 1 2 329.360 2.545 20 5 EFBDLO CCC[C@](C)(O)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488148561 478123354 /nfs/dbraw/zinc/12/33/54/478123354.db2.gz MMTDEFCEYXSDAL-SFHVURJKSA-N 1 2 344.415 2.999 20 5 EFBDLO Cc1nccnc1N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000440494109 478123473 /nfs/dbraw/zinc/12/34/73/478123473.db2.gz ZNPSZWUEXVKTPB-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000440642555 478143230 /nfs/dbraw/zinc/14/32/30/478143230.db2.gz QMCTZLICUKZNHI-SFHVURJKSA-N 1 2 349.431 2.803 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000440646908 478143529 /nfs/dbraw/zinc/14/35/29/478143529.db2.gz GIRVUIAECDGGDL-SFHVURJKSA-N 1 2 349.431 2.803 20 5 EFBDLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000429526211 478147131 /nfs/dbraw/zinc/14/71/31/478147131.db2.gz CJLPDCPAFQMXDG-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534523351 478156892 /nfs/dbraw/zinc/15/68/92/478156892.db2.gz ZTJPIPMEBUDQRM-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762203 478193396 /nfs/dbraw/zinc/19/33/96/478193396.db2.gz WFGOVEWAYHTBKJ-QHCPKHFHSA-N 1 2 340.445 2.727 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762203 478193400 /nfs/dbraw/zinc/19/34/00/478193400.db2.gz WFGOVEWAYHTBKJ-QHCPKHFHSA-N 1 2 340.445 2.727 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000562261793 478223425 /nfs/dbraw/zinc/22/34/25/478223425.db2.gz JVHLZUPOKLHNGC-ZDUSSCGKSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000562261793 478223430 /nfs/dbraw/zinc/22/34/30/478223430.db2.gz JVHLZUPOKLHNGC-ZDUSSCGKSA-N 1 2 333.779 2.725 20 5 EFBDLO Cc1cc(N2CCC[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489987630 478297684 /nfs/dbraw/zinc/29/76/84/478297684.db2.gz ADCVQLULIVDASJ-CQSZACIVSA-N 1 2 328.372 2.711 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1 ZINC000590754591 478320546 /nfs/dbraw/zinc/32/05/46/478320546.db2.gz LVGDGNNWPOKWIO-KRWDZBQOSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1 ZINC000590754591 478320551 /nfs/dbraw/zinc/32/05/51/478320551.db2.gz LVGDGNNWPOKWIO-KRWDZBQOSA-N 1 2 340.383 2.536 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000590781091 478336010 /nfs/dbraw/zinc/33/60/10/478336010.db2.gz AUXSMCCMOCRKTB-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO CNc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000562748736 478340471 /nfs/dbraw/zinc/34/04/71/478340471.db2.gz WJEFOQPLDUPSBW-CQSZACIVSA-N 1 2 343.387 2.593 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000538653103 478370883 /nfs/dbraw/zinc/37/08/83/478370883.db2.gz UNVPMLHCCKVCFS-UHFFFAOYSA-N 1 2 336.351 2.844 20 5 EFBDLO COC(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000562941467 478388434 /nfs/dbraw/zinc/38/84/34/478388434.db2.gz FMRNQPJQQCXXCR-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000562941467 478388441 /nfs/dbraw/zinc/38/84/41/478388441.db2.gz FMRNQPJQQCXXCR-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594513641 478421145 /nfs/dbraw/zinc/42/11/45/478421145.db2.gz FDFBGYPBXVTMHE-WQLSENKSSA-N 1 2 330.392 2.529 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563082298 478442699 /nfs/dbraw/zinc/44/26/99/478442699.db2.gz ZISRLDWGIOPQBL-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563082298 478442704 /nfs/dbraw/zinc/44/27/04/478442704.db2.gz ZISRLDWGIOPQBL-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](C(F)(F)F)C3)c2c1 ZINC000591148018 478476387 /nfs/dbraw/zinc/47/63/87/478476387.db2.gz ULXIZILTTCLWBJ-GFCCVEGCSA-N 1 2 327.262 2.911 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC4(CCOCC4)CC3)c2c1 ZINC000591153701 478477740 /nfs/dbraw/zinc/47/77/40/478477740.db2.gz DMDVUVXWXFPOJI-UHFFFAOYSA-N 1 2 343.383 2.919 20 5 EFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000591157985 478478848 /nfs/dbraw/zinc/47/88/48/478478848.db2.gz DVEDEPNPLSBLQS-SJKOYZFVSA-N 1 2 329.356 2.527 20 5 EFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCCOC2)O1 ZINC000591157976 478479613 /nfs/dbraw/zinc/47/96/13/478479613.db2.gz DBTVYGPUTMMYJF-ACJLOTCBSA-N 1 2 343.383 2.917 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000540723700 478488673 /nfs/dbraw/zinc/48/86/73/478488673.db2.gz OATYYIPWBITNOW-ZDUSSCGKSA-N 1 2 338.371 2.730 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491480017 478560932 /nfs/dbraw/zinc/56/09/32/478560932.db2.gz UYGAJKOSDCZUCM-AGLBCWCQSA-N 1 2 344.346 2.876 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591529267 478573906 /nfs/dbraw/zinc/57/39/06/478573906.db2.gz QMEFNPANJUASHX-AWEZNQCLSA-N 1 2 328.372 2.885 20 5 EFBDLO CCn1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nn1 ZINC000594971274 478613215 /nfs/dbraw/zinc/61/32/15/478613215.db2.gz CZSJJBQRIIPGAK-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c[nH+]1 ZINC000542779127 478684599 /nfs/dbraw/zinc/68/45/99/478684599.db2.gz XISUVSNKQPKCAV-UHFFFAOYSA-N 1 2 337.282 2.882 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895174 478704175 /nfs/dbraw/zinc/70/41/75/478704175.db2.gz MIWOWCGKFLWJHF-MEDUHNTESA-N 1 2 346.412 2.771 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895174 478704179 /nfs/dbraw/zinc/70/41/79/478704179.db2.gz MIWOWCGKFLWJHF-MEDUHNTESA-N 1 2 346.412 2.771 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000595291476 478717946 /nfs/dbraw/zinc/71/79/46/478717946.db2.gz YYOOORWLWGYMMN-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000595379125 478753848 /nfs/dbraw/zinc/75/38/48/478753848.db2.gz XBPKOWWOJRYDER-UHFFFAOYSA-N 1 2 345.374 2.757 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c1[N+](=O)[O-] ZINC000595416690 478767582 /nfs/dbraw/zinc/76/75/82/478767582.db2.gz JIGXQUDJFIBAGC-LLVKDONJSA-N 1 2 327.344 2.928 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1[N+](=O)[O-] ZINC000595417688 478768199 /nfs/dbraw/zinc/76/81/99/478768199.db2.gz YGPJKFFXZCJTHP-NSHDSACASA-N 1 2 344.371 2.869 20 5 EFBDLO Cc1noc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595466733 478801878 /nfs/dbraw/zinc/80/18/78/478801878.db2.gz RTIGZGRTTJSVAU-AWEZNQCLSA-N 1 2 349.387 2.542 20 5 EFBDLO Cc1noc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595466733 478801887 /nfs/dbraw/zinc/80/18/87/478801887.db2.gz RTIGZGRTTJSVAU-AWEZNQCLSA-N 1 2 349.387 2.542 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000595483958 478812097 /nfs/dbraw/zinc/81/20/97/478812097.db2.gz NNDXJBSOMWDYIF-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000595489322 478816369 /nfs/dbraw/zinc/81/63/69/478816369.db2.gz HCQDJAROWZEWOE-UHFFFAOYSA-N 1 2 326.278 2.826 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000592190144 478820479 /nfs/dbraw/zinc/82/04/79/478820479.db2.gz ZTMAGSRNVDDZMS-ZDUSSCGKSA-N 1 2 348.399 2.995 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000592190144 478820482 /nfs/dbraw/zinc/82/04/82/478820482.db2.gz ZTMAGSRNVDDZMS-ZDUSSCGKSA-N 1 2 348.399 2.995 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194140 478821743 /nfs/dbraw/zinc/82/17/43/478821743.db2.gz OTFMPOLJBOINAM-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194140 478821753 /nfs/dbraw/zinc/82/17/53/478821753.db2.gz OTFMPOLJBOINAM-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196308 478822735 /nfs/dbraw/zinc/82/27/35/478822735.db2.gz VQIOCUGHDYTSJN-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196308 478822741 /nfs/dbraw/zinc/82/27/41/478822741.db2.gz VQIOCUGHDYTSJN-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000502731431 478829620 /nfs/dbraw/zinc/82/96/20/478829620.db2.gz SFWIWOHWWAVEMB-UHFFFAOYSA-N 1 2 336.388 2.829 20 5 EFBDLO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466373 478837882 /nfs/dbraw/zinc/83/78/82/478837882.db2.gz ZSONPENENXOGRN-MRVPVSSYSA-N 1 2 342.277 2.838 20 5 EFBDLO Cc1c(C[N@H+](C)CC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000572563971 478867376 /nfs/dbraw/zinc/86/73/76/478867376.db2.gz UHKZHXRTZASECS-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO Cc1c(C[N@@H+](C)CC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000572563971 478867384 /nfs/dbraw/zinc/86/73/84/478867384.db2.gz UHKZHXRTZASECS-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO CN(C[C@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598549469 478889925 /nfs/dbraw/zinc/88/99/25/478889925.db2.gz BIEGEKBXAYQLGJ-CYBMUJFWSA-N 1 2 328.372 2.899 20 5 EFBDLO CCc1cc(N[C@@H](C)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507021114 478900999 /nfs/dbraw/zinc/90/09/99/478900999.db2.gz IDIBNYGPQFVGER-LBPRGKRZSA-N 1 2 330.388 2.873 20 5 EFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592571390 478943897 /nfs/dbraw/zinc/94/38/97/478943897.db2.gz YZTMNCAGPOAHLJ-NSHDSACASA-N 1 2 342.380 2.751 20 5 EFBDLO Cc1cccn2cc(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000572938821 478953147 /nfs/dbraw/zinc/95/31/47/478953147.db2.gz RWBFRQQSZFEMQL-ZDUSSCGKSA-N 1 2 338.367 2.971 20 5 EFBDLO COC(=O)c1ccc(OCc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000509951300 478958334 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CCN(CCSC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592740392 479021267 /nfs/dbraw/zinc/02/12/67/479021267.db2.gz XSZFXOZWJRBCQE-UHFFFAOYSA-N 1 2 334.401 2.606 20 5 EFBDLO CO[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514653767 479039626 /nfs/dbraw/zinc/03/96/26/479039626.db2.gz HFEXCVSIVTYMES-HUUCEWRRSA-N 1 2 328.372 2.762 20 5 EFBDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000595886360 479053245 /nfs/dbraw/zinc/05/32/45/479053245.db2.gz VVHYDMQCOIDWOC-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000595886360 479053250 /nfs/dbraw/zinc/05/32/50/479053250.db2.gz VVHYDMQCOIDWOC-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000493606918 479077242 /nfs/dbraw/zinc/07/72/42/479077242.db2.gz RULPYUCLYSBOTO-GFCCVEGCSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000493606918 479077251 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20 5 EFBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)n1cc[nH+]c1 ZINC000593028175 479131639 /nfs/dbraw/zinc/13/16/39/479131639.db2.gz LLIGHTDDZZZQSC-VIFPVBQESA-N 1 2 340.286 2.983 20 5 EFBDLO CCn1c2ccccc2[nH+]c1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596099944 479138109 /nfs/dbraw/zinc/13/81/09/479138109.db2.gz XQZBKMXWTKTJPU-UHFFFAOYSA-N 1 2 327.344 2.720 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000593047677 479141166 /nfs/dbraw/zinc/14/11/66/479141166.db2.gz CAKSNHYJOGDXLD-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000593047677 479141170 /nfs/dbraw/zinc/14/11/70/479141170.db2.gz CAKSNHYJOGDXLD-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055880 479146966 /nfs/dbraw/zinc/14/69/66/479146966.db2.gz SSSFIAVQWVATJK-AWEZNQCLSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055880 479146974 /nfs/dbraw/zinc/14/69/74/479146974.db2.gz SSSFIAVQWVATJK-AWEZNQCLSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](CC)CO1 ZINC000593060086 479149956 /nfs/dbraw/zinc/14/99/56/479149956.db2.gz XRTLOVCZXZXYIS-GDBMZVCRSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](CC)CO1 ZINC000593060086 479149961 /nfs/dbraw/zinc/14/99/61/479149961.db2.gz XRTLOVCZXZXYIS-GDBMZVCRSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)CO1 ZINC000593061817 479152045 /nfs/dbraw/zinc/15/20/45/479152045.db2.gz FOHKFJYPYLLZGS-RISCZKNCSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)CO1 ZINC000593061817 479152052 /nfs/dbraw/zinc/15/20/52/479152052.db2.gz FOHKFJYPYLLZGS-RISCZKNCSA-N 1 2 332.360 2.644 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073969 479158508 /nfs/dbraw/zinc/15/85/08/479158508.db2.gz ZGHIANYIDGSAJM-UHFFFAOYSA-N 1 2 339.342 2.963 20 5 EFBDLO COc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1C ZINC000596171297 479178772 /nfs/dbraw/zinc/17/87/72/479178772.db2.gz CWJFLHJCHOCKMO-CYBMUJFWSA-N 1 2 328.372 2.998 20 5 EFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610786673 479188422 /nfs/dbraw/zinc/18/84/22/479188422.db2.gz IRASZGQLNQYOKJ-CQSZACIVSA-N 1 2 345.403 2.859 20 5 EFBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556811243 479210873 /nfs/dbraw/zinc/21/08/73/479210873.db2.gz UCGYNWBGQVIHAE-OAHLLOKOSA-N 1 2 338.310 2.705 20 5 EFBDLO CN(CCOC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610862608 479212288 /nfs/dbraw/zinc/21/22/88/479212288.db2.gz UEGUGSAXZVNXAA-UHFFFAOYSA-N 1 2 346.387 2.668 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000599259630 479223919 /nfs/dbraw/zinc/22/39/19/479223919.db2.gz OXPCAQCTFMLCHG-QGZVFWFLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000599259630 479223928 /nfs/dbraw/zinc/22/39/28/479223928.db2.gz OXPCAQCTFMLCHG-QGZVFWFLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000584784605 479242645 /nfs/dbraw/zinc/24/26/45/479242645.db2.gz QXZBBMLMGXHZOW-NSHDSACASA-N 1 2 336.779 2.755 20 5 EFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000596440483 479295618 /nfs/dbraw/zinc/29/56/18/479295618.db2.gz LOWMIVNWJSMYFR-UHFFFAOYSA-N 1 2 342.346 2.693 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177049 479302060 /nfs/dbraw/zinc/30/20/60/479302060.db2.gz KQMUGCPUKQBCOA-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177049 479302066 /nfs/dbraw/zinc/30/20/66/479302066.db2.gz KQMUGCPUKQBCOA-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO O=C1[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 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Cc1ccnc(NC(=O)C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000611266944 479330076 /nfs/dbraw/zinc/33/00/76/479330076.db2.gz RWXKIUQPQXKDBS-ALCCZGGFSA-N 1 2 340.383 2.882 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOC3(CCCC3)C1)OCCO2 ZINC000611273692 479334281 /nfs/dbraw/zinc/33/42/81/479334281.db2.gz SAGILCRLUIAOIP-UHFFFAOYSA-N 1 2 334.372 2.511 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOC3(CCCC3)C1)OCCO2 ZINC000611273692 479334287 /nfs/dbraw/zinc/33/42/87/479334287.db2.gz SAGILCRLUIAOIP-UHFFFAOYSA-N 1 2 334.372 2.511 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599582507 479339541 /nfs/dbraw/zinc/33/95/41/479339541.db2.gz MSIIJQLTRUSWRE-CMPLNLGQSA-N 1 2 339.392 2.691 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599582507 479339546 /nfs/dbraw/zinc/33/95/46/479339546.db2.gz MSIIJQLTRUSWRE-CMPLNLGQSA-N 1 2 339.392 2.691 20 5 EFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000593442699 479342669 /nfs/dbraw/zinc/34/26/69/479342669.db2.gz YDDKVCZBRRICRR-ZDUSSCGKSA-N 1 2 332.335 2.753 20 5 EFBDLO CCn1nc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000602534879 479385402 /nfs/dbraw/zinc/38/54/02/479385402.db2.gz UTMKKEIWCSMLNM-UHFFFAOYSA-N 1 2 329.360 2.859 20 5 EFBDLO Cc1nc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611560384 479415559 /nfs/dbraw/zinc/41/55/59/479415559.db2.gz LWVHTEXRDLZOAT-OAHLLOKOSA-N 1 2 343.412 2.972 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602627261 479433583 /nfs/dbraw/zinc/43/35/83/479433583.db2.gz PWDXDKKCUHELMX-GWCFXTLKSA-N 1 2 348.321 2.849 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602627261 479433591 /nfs/dbraw/zinc/43/35/91/479433591.db2.gz PWDXDKKCUHELMX-GWCFXTLKSA-N 1 2 348.321 2.849 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000603862417 479441058 /nfs/dbraw/zinc/44/10/58/479441058.db2.gz RCVVJIOYMDFKQQ-TXEJJXNPSA-N 1 2 329.360 2.742 20 5 EFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611683070 479445528 /nfs/dbraw/zinc/44/55/28/479445528.db2.gz RVXDMVUFSORLSS-OAHLLOKOSA-N 1 2 327.340 2.868 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909241 479450739 /nfs/dbraw/zinc/45/07/39/479450739.db2.gz MQIBJKOPUSMMQG-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOc2ccccc2C1 ZINC000603909241 479450743 /nfs/dbraw/zinc/45/07/43/479450743.db2.gz MQIBJKOPUSMMQG-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909427 479451577 /nfs/dbraw/zinc/45/15/77/479451577.db2.gz VSVNHMCGZDUCPF-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2ccccc2C1 ZINC000603909427 479451583 /nfs/dbraw/zinc/45/15/83/479451583.db2.gz VSVNHMCGZDUCPF-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000611711998 479453508 /nfs/dbraw/zinc/45/35/08/479453508.db2.gz DLFJXUYYTGBAJC-LBPRGKRZSA-N 1 2 336.355 2.624 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@]1(C)CO ZINC000602726056 479508073 /nfs/dbraw/zinc/50/80/73/479508073.db2.gz YXTTXLYSARARNI-PELKAZGASA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@]1(C)CO ZINC000602726056 479508083 /nfs/dbraw/zinc/50/80/83/479508083.db2.gz YXTTXLYSARARNI-PELKAZGASA-N 1 2 349.250 2.869 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000589104906 479477969 /nfs/dbraw/zinc/47/79/69/479477969.db2.gz GVCDWEVZVKMTAD-UHFFFAOYSA-N 1 2 333.779 2.672 20 5 EFBDLO CCn1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602693747 479480130 /nfs/dbraw/zinc/48/01/30/479480130.db2.gz GTJMMYVUUKBKSP-UHFFFAOYSA-N 1 2 345.222 2.925 20 5 EFBDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602696712 479482426 /nfs/dbraw/zinc/48/24/26/479482426.db2.gz FKHRCHYAILTATB-RKDXNWHRSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602696712 479482434 /nfs/dbraw/zinc/48/24/34/479482434.db2.gz FKHRCHYAILTATB-RKDXNWHRSA-N 1 2 349.250 2.869 20 5 EFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000604198616 479484929 /nfs/dbraw/zinc/48/49/29/479484929.db2.gz MIDNAIPEYFWLHG-UHFFFAOYSA-N 1 2 343.387 2.576 20 5 EFBDLO Cn1ncc(C2CC2)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602712005 479497876 /nfs/dbraw/zinc/49/78/76/479497876.db2.gz UWHSTEBTTOQUSJ-UHFFFAOYSA-N 1 2 327.344 2.637 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCc3occc3C1)OCCO2 ZINC000589210542 479499444 /nfs/dbraw/zinc/49/94/44/479499444.db2.gz WPRQBFKHVZOLGD-UHFFFAOYSA-N 1 2 330.340 2.907 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCc3occc3C1)OCCO2 ZINC000589210542 479499454 /nfs/dbraw/zinc/49/94/54/479499454.db2.gz WPRQBFKHVZOLGD-UHFFFAOYSA-N 1 2 330.340 2.907 20 5 EFBDLO CCC(CC)C(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604472798 479522877 /nfs/dbraw/zinc/52/28/77/479522877.db2.gz GJXAMLFNUYDVSR-UHFFFAOYSA-N 1 2 349.431 2.554 20 5 EFBDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596990070 479523611 /nfs/dbraw/zinc/52/36/11/479523611.db2.gz YBRGOVAYZLMZDX-UHFFFAOYSA-N 1 2 341.415 2.528 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000589493689 479532432 /nfs/dbraw/zinc/53/24/32/479532432.db2.gz PNSGXQSLACHDDK-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccccc3C2)c1 ZINC000589493689 479532437 /nfs/dbraw/zinc/53/24/37/479532437.db2.gz PNSGXQSLACHDDK-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000589495955 479533099 /nfs/dbraw/zinc/53/30/99/479533099.db2.gz MUEMTUFCOKHAIK-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000589495955 479533103 /nfs/dbraw/zinc/53/31/03/479533103.db2.gz MUEMTUFCOKHAIK-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1(F)F ZINC000589520550 479536836 /nfs/dbraw/zinc/53/68/36/479536836.db2.gz XLYDXEHUNJKMCA-JTQLQIEISA-N 1 2 328.315 2.843 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1(F)F ZINC000589520550 479536841 /nfs/dbraw/zinc/53/68/41/479536841.db2.gz XLYDXEHUNJKMCA-JTQLQIEISA-N 1 2 328.315 2.843 20 5 EFBDLO C[C@H](C[C@H]1CCOC1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589584751 479540771 /nfs/dbraw/zinc/54/07/71/479540771.db2.gz OGNRCKSVDXCVEW-GDBMZVCRSA-N 1 2 349.431 2.654 20 5 EFBDLO C[C@@H](C[C@@H]1CCOC1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589584756 479541148 /nfs/dbraw/zinc/54/11/48/479541148.db2.gz OGNRCKSVDXCVEW-HOCLYGCPSA-N 1 2 349.431 2.654 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000602795250 479558107 /nfs/dbraw/zinc/55/81/07/479558107.db2.gz KNJCRWRCRMYJAS-UHFFFAOYSA-N 1 2 340.387 2.622 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000602795250 479558113 /nfs/dbraw/zinc/55/81/13/479558113.db2.gz KNJCRWRCRMYJAS-UHFFFAOYSA-N 1 2 340.387 2.622 20 5 EFBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823310 479576019 /nfs/dbraw/zinc/57/60/19/479576019.db2.gz CMGLSXSXPQGCBN-CQSZACIVSA-N 1 2 332.408 2.543 20 5 EFBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823310 479576030 /nfs/dbraw/zinc/57/60/30/479576030.db2.gz CMGLSXSXPQGCBN-CQSZACIVSA-N 1 2 332.408 2.543 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615037707 479581017 /nfs/dbraw/zinc/58/10/17/479581017.db2.gz OWXWIHULYRXILV-AWEZNQCLSA-N 1 2 329.360 2.969 20 5 EFBDLO CSc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000602940781 479643058 /nfs/dbraw/zinc/64/30/58/479643058.db2.gz BEHXPMRUFNBZAB-UHFFFAOYSA-N 1 2 332.385 2.554 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCc4[nH+]c[nH]c4C3)co2)cc1 ZINC000590599637 479666586 /nfs/dbraw/zinc/66/65/86/479666586.db2.gz KGUGLJXBPSDDFM-UHFFFAOYSA-N 1 2 325.328 2.531 20 5 EFBDLO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000612451787 479674928 /nfs/dbraw/zinc/67/49/28/479674928.db2.gz LHBFPANKXYYKNG-SECBINFHSA-N 1 2 343.225 2.591 20 5 EFBDLO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000612451787 479674934 /nfs/dbraw/zinc/67/49/34/479674934.db2.gz LHBFPANKXYYKNG-SECBINFHSA-N 1 2 343.225 2.591 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000616152071 479836739 /nfs/dbraw/zinc/83/67/39/479836739.db2.gz JVACCSXWHFTWIM-UHFFFAOYSA-N 1 2 329.356 2.701 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000616152071 479836743 /nfs/dbraw/zinc/83/67/43/479836743.db2.gz JVACCSXWHFTWIM-UHFFFAOYSA-N 1 2 329.356 2.701 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671853 480195838 /nfs/dbraw/zinc/19/58/38/480195838.db2.gz LUCQWHMEMXCTDW-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609671853 480195843 /nfs/dbraw/zinc/19/58/43/480195843.db2.gz LUCQWHMEMXCTDW-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCCn1cc[nH+]c1 ZINC000609793924 480206194 /nfs/dbraw/zinc/20/61/94/480206194.db2.gz ZUENGDDTHKHYPG-UHFFFAOYSA-N 1 2 336.779 2.584 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000610239018 480256204 /nfs/dbraw/zinc/25/62/04/480256204.db2.gz QJMFBSBHDWPWAJ-UHFFFAOYSA-N 1 2 325.368 2.649 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000610310611 480276678 /nfs/dbraw/zinc/27/66/78/480276678.db2.gz NEMLHHMNTYXLKU-UHFFFAOYSA-N 1 2 340.339 2.807 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000610434698 480304440 /nfs/dbraw/zinc/30/44/40/480304440.db2.gz HTFOPTCSMHVJSN-UHFFFAOYSA-N 1 2 338.367 2.832 20 5 EFBDLO CSc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000614444699 480308077 /nfs/dbraw/zinc/30/80/77/480308077.db2.gz MTZPWTDQPZBFAD-UHFFFAOYSA-N 1 2 345.380 2.615 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000610461886 480312099 /nfs/dbraw/zinc/31/20/99/480312099.db2.gz NRZASMCXPIBTFY-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000610487762 480319379 /nfs/dbraw/zinc/31/93/79/480319379.db2.gz WFWCROYKPNCLFX-UHFFFAOYSA-N 1 2 342.302 2.560 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000610487762 480319386 /nfs/dbraw/zinc/31/93/86/480319386.db2.gz WFWCROYKPNCLFX-UHFFFAOYSA-N 1 2 342.302 2.560 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000129453316 533923272 /nfs/dbraw/zinc/92/32/72/533923272.db2.gz LLUJFBFPZRTABJ-UHFFFAOYSA-N 1 2 331.338 2.973 20 5 EFBDLO Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000129453316 533923291 /nfs/dbraw/zinc/92/32/91/533923291.db2.gz LLUJFBFPZRTABJ-UHFFFAOYSA-N 1 2 331.338 2.973 20 5 EFBDLO CCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000121586510 521739913 /nfs/dbraw/zinc/73/99/13/521739913.db2.gz UTICOVZXMKUIOW-UHFFFAOYSA-N 1 2 334.420 2.565 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000064027659 522373862 /nfs/dbraw/zinc/37/38/62/522373862.db2.gz FVISVACOVQPWFR-UHFFFAOYSA-N 1 2 343.387 2.887 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000120817995 524182283 /nfs/dbraw/zinc/18/22/83/524182283.db2.gz HZGCEPJOTFRRDU-CQSZACIVSA-N 1 2 327.340 2.592 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181211306 524868550 /nfs/dbraw/zinc/86/85/50/524868550.db2.gz PMAGFPQLGISTOG-UHFFFAOYSA-N 1 2 339.254 2.852 20 5 EFBDLO Cc1cccc2[nH+]c(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)cn21 ZINC000118176606 524989758 /nfs/dbraw/zinc/98/97/58/524989758.db2.gz JTRUVQMRHODJBQ-UHFFFAOYSA-N 1 2 334.339 2.858 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000064350095 525135570 /nfs/dbraw/zinc/13/55/70/525135570.db2.gz APZPKUQGCVPERZ-UHFFFAOYSA-N 1 2 332.360 2.740 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000064350095 525135580 /nfs/dbraw/zinc/13/55/80/525135580.db2.gz APZPKUQGCVPERZ-UHFFFAOYSA-N 1 2 332.360 2.740 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000194407180 525460116 /nfs/dbraw/zinc/46/01/16/525460116.db2.gz ZXXCGRYYDNMVII-QGZVFWFLSA-N 1 2 343.383 2.523 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000195025811 525460945 /nfs/dbraw/zinc/46/09/45/525460945.db2.gz MVSUIHNBZWNOTM-MRXNPFEDSA-N 1 2 339.355 2.601 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccnc1 ZINC000182888138 525486295 /nfs/dbraw/zinc/48/62/95/525486295.db2.gz JYFQNZRTKHPAJB-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000156025344 525568908 /nfs/dbraw/zinc/56/89/08/525568908.db2.gz XRHRCZYYTHFIPP-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119702140 526069242 /nfs/dbraw/zinc/06/92/42/526069242.db2.gz IOAJGKYNIABSAY-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118836097 526121512 /nfs/dbraw/zinc/12/15/12/526121512.db2.gz ZOCUAHCMWMCPTC-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118836097 526121519 /nfs/dbraw/zinc/12/15/19/526121519.db2.gz ZOCUAHCMWMCPTC-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120604041 526129577 /nfs/dbraw/zinc/12/95/77/526129577.db2.gz GNJMIHUIPROTOL-HNNXBMFYSA-N 1 2 327.340 2.592 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000067523197 526650413 /nfs/dbraw/zinc/65/04/13/526650413.db2.gz PXRFYYUYXOEORD-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000192821048 527125590 /nfs/dbraw/zinc/12/55/90/527125590.db2.gz STPXYENZQRUDQG-UHFFFAOYSA-N 1 2 348.318 2.577 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000151186904 527247245 /nfs/dbraw/zinc/24/72/45/527247245.db2.gz OEEATRYYTJUIJG-AWEZNQCLSA-N 1 2 332.335 2.753 20 5 EFBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c(Br)c1 ZINC000230905068 527364497 /nfs/dbraw/zinc/36/44/97/527364497.db2.gz IVCJDOJTLZXSCQ-UHFFFAOYSA-N 1 2 346.250 2.818 20 5 EFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000178534445 527439243 /nfs/dbraw/zinc/43/92/43/527439243.db2.gz MPYAHHSHNHBQTJ-ZDUSSCGKSA-N 1 2 343.387 2.815 20 5 EFBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000089421327 527496682 /nfs/dbraw/zinc/49/66/82/527496682.db2.gz MBAHCSFZIHRMDJ-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089203663 527497400 /nfs/dbraw/zinc/49/74/00/527497400.db2.gz FBPVRIJUZHIJTR-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225435 528064364 /nfs/dbraw/zinc/06/43/64/528064364.db2.gz CXKKEZFPQWUSMR-NSHDSACASA-N 1 2 340.351 2.518 20 5 EFBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225435 528064370 /nfs/dbraw/zinc/06/43/70/528064370.db2.gz CXKKEZFPQWUSMR-NSHDSACASA-N 1 2 340.351 2.518 20 5 EFBDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154029259 528863465 /nfs/dbraw/zinc/86/34/65/528863465.db2.gz YBUXQTLLBBPVFL-OAHLLOKOSA-N 1 2 338.404 2.680 20 5 EFBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154029259 528863470 /nfs/dbraw/zinc/86/34/70/528863470.db2.gz YBUXQTLLBBPVFL-OAHLLOKOSA-N 1 2 338.404 2.680 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000360198752 535371106 /nfs/dbraw/zinc/37/11/06/535371106.db2.gz MVPKWHBWDYTAFZ-CQSZACIVSA-N 1 2 340.445 2.727 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000360198752 535371108 /nfs/dbraw/zinc/37/11/08/535371108.db2.gz MVPKWHBWDYTAFZ-CQSZACIVSA-N 1 2 340.445 2.727 20 5 EFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1[nH]cc[nH+]1 ZINC000412280982 535880541 /nfs/dbraw/zinc/88/05/41/535880541.db2.gz ZSDDKYQOALNYNZ-LBPRGKRZSA-N 1 2 332.360 2.986 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000351827560 536360399 /nfs/dbraw/zinc/36/03/99/536360399.db2.gz MFSVEEAITQAWAV-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434699835 536375623 /nfs/dbraw/zinc/37/56/23/536375623.db2.gz OMVVJLCJKUQNCD-UHFFFAOYSA-N 1 2 341.839 2.791 20 5 EFBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434699835 536375625 /nfs/dbraw/zinc/37/56/25/536375625.db2.gz OMVVJLCJKUQNCD-UHFFFAOYSA-N 1 2 341.839 2.791 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000355800284 536454140 /nfs/dbraw/zinc/45/41/40/536454140.db2.gz LFHLCSLBZFKRKW-UHFFFAOYSA-N 1 2 344.293 2.859 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000355800284 536454142 /nfs/dbraw/zinc/45/41/42/536454142.db2.gz LFHLCSLBZFKRKW-UHFFFAOYSA-N 1 2 344.293 2.859 20 5 EFBDLO COC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000359227624 536662308 /nfs/dbraw/zinc/66/23/08/536662308.db2.gz OSQQJQIACOOFCN-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO COC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000359227624 536662313 /nfs/dbraw/zinc/66/23/13/536662313.db2.gz OSQQJQIACOOFCN-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO CCn1cc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 ZINC000296087732 537693819 /nfs/dbraw/zinc/69/38/19/537693819.db2.gz POKGCTUOQWXZGD-LLVKDONJSA-N 1 2 342.359 2.712 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(-n4cc[nH+]c4)nc3)c21 ZINC000754008911 575374970 /nfs/dbraw/zinc/37/49/70/575374970.db2.gz ISDZYNMMNDAOLJ-UHFFFAOYSA-N 1 2 347.338 2.731 20 5 EFBDLO CC[C@@H](CCOC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000754577911 575455874 /nfs/dbraw/zinc/45/58/74/575455874.db2.gz TVRIWAZRYJFGRV-ZDUSSCGKSA-N 1 2 333.344 2.752 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000754795114 575491791 /nfs/dbraw/zinc/49/17/91/575491791.db2.gz LOTYXXOGJRFFEV-UHFFFAOYSA-N 1 2 340.383 2.845 20 5 EFBDLO CN(C)c1cc(COC(=O)CCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000755888405 575650159 /nfs/dbraw/zinc/65/01/59/575650159.db2.gz RIIAQYVIONRXFA-UHFFFAOYSA-N 1 2 344.371 2.601 20 5 EFBDLO CN(C)c1cc(COC(=O)CCOc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000755903586 575652438 /nfs/dbraw/zinc/65/24/38/575652438.db2.gz DCWDOFQVZPOUQK-UHFFFAOYSA-N 1 2 345.355 2.568 20 5 EFBDLO CCc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH]n1 ZINC000756949449 575804271 /nfs/dbraw/zinc/80/42/71/575804271.db2.gz GFUNWCNZSKNOGL-UHFFFAOYSA-N 1 2 338.371 2.680 20 5 EFBDLO CCC[C@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000757616514 575845340 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2.737 20 5 EFBDLO C[C@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1(C)C ZINC000758999823 575882380 /nfs/dbraw/zinc/88/23/80/575882380.db2.gz KNVQPDJBWDQRPD-LBPRGKRZSA-N 1 2 346.387 2.737 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000759495159 575893238 /nfs/dbraw/zinc/89/32/38/575893238.db2.gz ASIHOMRPNCVXDN-UHFFFAOYSA-N 1 2 346.368 2.721 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039273 576103471 /nfs/dbraw/zinc/10/34/71/576103471.db2.gz DLEYMYVWRNKLFE-NXEZZACHSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039273 576103473 /nfs/dbraw/zinc/10/34/73/576103473.db2.gz DLEYMYVWRNKLFE-NXEZZACHSA-N 1 2 331.294 2.806 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3-n3cc[nH+]c3)no2)cc1 ZINC000761718240 576203629 /nfs/dbraw/zinc/20/36/29/576203629.db2.gz PDFMXQCBITZPOP-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1ccc(Cc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)c[nH+]1 ZINC000761775892 576211485 /nfs/dbraw/zinc/21/14/85/576211485.db2.gz XPDQWDBQWUICCI-UHFFFAOYSA-N 1 2 344.302 2.990 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)c1 ZINC000762038585 576247866 /nfs/dbraw/zinc/24/78/66/576247866.db2.gz ZUBBAGNGQUGETR-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762947033 576349584 /nfs/dbraw/zinc/34/95/84/576349584.db2.gz MHLTUOJRHFBRTB-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000763111737 576362109 /nfs/dbraw/zinc/36/21/09/576362109.db2.gz MSGFCMMEGSBKPE-UHFFFAOYSA-N 1 2 344.371 2.639 20 5 EFBDLO Cc1cc(F)cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000767565148 577214881 /nfs/dbraw/zinc/21/48/81/577214881.db2.gz JLAIQEGZJAVMNO-UHFFFAOYSA-N 1 2 333.319 2.860 20 5 EFBDLO CN(C)c1cc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc[nH+]1 ZINC000767585701 577216652 /nfs/dbraw/zinc/21/66/52/577216652.db2.gz QHXIBEDJMJRQAL-UHFFFAOYSA-N 1 2 340.339 2.894 20 5 EFBDLO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)Nc1cccc2cccnc21 ZINC000725850460 577250115 /nfs/dbraw/zinc/25/01/15/577250115.db2.gz FXGWNUQOGGRVMF-UHFFFAOYSA-N 1 2 342.380 2.933 20 5 EFBDLO CO[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768754898 577298925 /nfs/dbraw/zinc/29/89/25/577298925.db2.gz SOJKTJDCKGXMTA-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768754898 577298926 /nfs/dbraw/zinc/29/89/26/577298926.db2.gz SOJKTJDCKGXMTA-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1[N+](=O)[O-] ZINC000768886669 577314175 /nfs/dbraw/zinc/31/41/75/577314175.db2.gz SIJYIKABNHVGGW-UHFFFAOYSA-N 1 2 348.472 2.902 20 5 EFBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1 ZINC000769108970 577335080 /nfs/dbraw/zinc/33/50/80/577335080.db2.gz OPGUGZJQTVDSDH-UHFFFAOYSA-N 1 2 349.774 2.830 20 5 EFBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1 ZINC000769108970 577335081 /nfs/dbraw/zinc/33/50/81/577335081.db2.gz OPGUGZJQTVDSDH-UHFFFAOYSA-N 1 2 349.774 2.830 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000769772948 577384255 /nfs/dbraw/zinc/38/42/55/577384255.db2.gz SEAYUJBMRQTAPI-LBPRGKRZSA-N 1 2 346.362 2.796 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770732135 581131216 /nfs/dbraw/zinc/13/12/16/581131216.db2.gz DPESQLNPHVGWNJ-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cccc2[nH+]ccn21 ZINC000770920535 581150884 /nfs/dbraw/zinc/15/08/84/581150884.db2.gz KPCIPQUBXMRSJX-UHFFFAOYSA-N 1 2 325.324 2.919 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771480558 581216303 /nfs/dbraw/zinc/21/63/03/581216303.db2.gz MCSVXUHLHYTQBG-UHFFFAOYSA-N 1 2 329.287 2.998 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3CCCOC3)no2)ccc1-n1cc[nH+]c1 ZINC000771604561 581226220 /nfs/dbraw/zinc/22/62/20/581226220.db2.gz ZTIMVCJHCHPFJJ-LBPRGKRZSA-N 1 2 341.327 2.725 20 5 EFBDLO CC(C)(CO)[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000772066835 581277789 /nfs/dbraw/zinc/27/77/89/581277789.db2.gz SYBUSRMNNZDEJN-UHFFFAOYSA-N 1 2 348.230 2.795 20 5 EFBDLO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000773241688 581409196 /nfs/dbraw/zinc/40/91/96/581409196.db2.gz MMLGGGSSBNOJQB-UHFFFAOYSA-N 1 2 333.319 2.753 20 5 EFBDLO C[C@H](C[C@@H]1CCOC1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774733601 581499383 /nfs/dbraw/zinc/49/93/83/581499383.db2.gz FNWKOWJNKFJXTH-OLZOCXBDSA-N 1 2 345.355 2.752 20 5 EFBDLO O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851413139 1250988257 /nfs/dbraw/zinc/98/82/57/1250988257.db2.gz CXDRDBDGNKQVSG-DEZZGGKRSA-N 1 2 327.340 2.983 20 5 EFBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1CC2(CC2)C1 ZINC001003597690 1264941649 /nfs/dbraw/zinc/94/16/49/1264941649.db2.gz AXBVKBXLCQRHTA-UHFFFAOYSA-N 1 2 349.456 2.927 20 5 EFBDLO C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000741029776 1269263542 /nfs/dbraw/zinc/26/35/42/1269263542.db2.gz SIGQXQCQQWTQCF-ZDUSSCGKSA-N 1 2 334.372 2.585 20 5 EFBDLO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H](C)S1 ZINC000743378429 1270571249 /nfs/dbraw/zinc/57/12/49/1270571249.db2.gz WEYGZHBVIKBCGP-VXGBXAGGSA-N 1 2 333.417 2.637 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792132738 1278572514 /nfs/dbraw/zinc/57/25/14/1278572514.db2.gz OJKDYBOTRDSVGY-AWEZNQCLSA-N 1 2 329.356 2.884 20 5 EFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc[nH+]1 ZINC000792134379 1278575149 /nfs/dbraw/zinc/57/51/49/1278575149.db2.gz IPDSAMBOJWHHCU-UHFFFAOYSA-N 1 2 325.683 2.722 20 5 EFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958794 1272555222 /nfs/dbraw/zinc/55/52/22/1272555222.db2.gz PSTBZAIIKCOJKC-ULQDDVLXSA-N 1 2 348.443 2.974 20 5 EFBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785837000 1275203906 /nfs/dbraw/zinc/20/39/06/1275203906.db2.gz KTYMRKAHJYRSPU-UWVGGRQHSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785837000 1275203912 /nfs/dbraw/zinc/20/39/12/1275203912.db2.gz KTYMRKAHJYRSPU-UWVGGRQHSA-N 1 2 328.210 2.886 20 5 EFBDLO CN(C)c1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000785948626 1275246043 /nfs/dbraw/zinc/24/60/43/1275246043.db2.gz OSGGBNRUHKGBSR-UHFFFAOYSA-N 1 2 349.774 2.995 20 5 EFBDLO CCOC(=O)N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000787407793 1275778906 /nfs/dbraw/zinc/77/89/06/1275778906.db2.gz RXWWCRIFMVZIIC-KAMYIIQDSA-N 1 2 333.388 2.772 20 5 EFBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170297788 1278981762 /nfs/dbraw/zinc/98/17/62/1278981762.db2.gz SCVRWLOBWCCWEW-IAQYHMDHSA-N 1 2 338.404 2.712 20 5 EFBDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788796499 1276314853 /nfs/dbraw/zinc/31/48/53/1276314853.db2.gz SDCUCMJSCIWIBK-LBPRGKRZSA-N 1 2 338.371 2.609 20 5 EFBDLO C[C@@H]1CN(CC[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000789330681 1276662580 /nfs/dbraw/zinc/66/25/80/1276662580.db2.gz WKUKPELSTQBRPD-BETUJISGSA-N 1 2 341.839 2.789 20 5 EFBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000789330681 1276662590 /nfs/dbraw/zinc/66/25/90/1276662590.db2.gz WKUKPELSTQBRPD-BETUJISGSA-N 1 2 341.839 2.789 20 5 EFBDLO Cc1cc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1[NH+](C)C ZINC000819408005 1276752013 /nfs/dbraw/zinc/75/20/13/1276752013.db2.gz HCOVWTYHGQYGQD-MRXNPFEDSA-N 1 2 345.399 2.821 20 5 EFBDLO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334769 1279026117 /nfs/dbraw/zinc/02/61/17/1279026117.db2.gz IFWFXSAQTPHTMQ-DOMZBBRYSA-N 1 2 336.388 2.562 20 5 EFBDLO COC(=O)[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334769 1279026126 /nfs/dbraw/zinc/02/61/26/1279026126.db2.gz IFWFXSAQTPHTMQ-DOMZBBRYSA-N 1 2 336.388 2.562 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334333 1279026820 /nfs/dbraw/zinc/02/68/20/1279026820.db2.gz CCSVMHUERJANRV-YVEFUNNKSA-N 1 2 336.388 2.562 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334333 1279026828 /nfs/dbraw/zinc/02/68/28/1279026828.db2.gz CCSVMHUERJANRV-YVEFUNNKSA-N 1 2 336.388 2.562 20 5 EFBDLO COc1cc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])cc1C ZINC000820617147 1277247136 /nfs/dbraw/zinc/24/71/36/1277247136.db2.gz PLZWDBPIXHLQMN-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC001170306786 1279028123 /nfs/dbraw/zinc/02/81/23/1279028123.db2.gz BYTRVEPQOXEAFN-WBMJQRKESA-N 1 2 338.404 2.712 20 5 EFBDLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC001170306785 1279029012 /nfs/dbraw/zinc/02/90/12/1279029012.db2.gz BYTRVEPQOXEAFN-LRDDRELGSA-N 1 2 338.404 2.712 20 5 EFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000790745560 1277757982 /nfs/dbraw/zinc/75/79/82/1277757982.db2.gz NJCHREJOMBVFPD-UHFFFAOYSA-N 1 2 341.726 2.760 20 5 EFBDLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc([N+](=O)[O-])c1C ZINC000790808192 1277760365 /nfs/dbraw/zinc/76/03/65/1277760365.db2.gz MPHKDRGKEGGECD-UHFFFAOYSA-N 1 2 344.371 2.934 20 5 EFBDLO C[C@@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845282232 1279531443 /nfs/dbraw/zinc/53/14/43/1279531443.db2.gz QQRYOGGUZBNKFY-ZDUSSCGKSA-N 1 2 333.344 2.755 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805828487 1280808084 /nfs/dbraw/zinc/80/80/84/1280808084.db2.gz IXTAOPJXOKIIPA-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805828487 1280808093 /nfs/dbraw/zinc/80/80/93/1280808093.db2.gz IXTAOPJXOKIIPA-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197130 1281582643 /nfs/dbraw/zinc/58/26/43/1281582643.db2.gz CDXFJJUSHZOGQM-LSDHHAIUSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197130 1281582648 /nfs/dbraw/zinc/58/26/48/1281582648.db2.gz CDXFJJUSHZOGQM-LSDHHAIUSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197799 1281583362 /nfs/dbraw/zinc/58/33/62/1281583362.db2.gz KMIPOJRGPZAPEZ-HOTGVXAUSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197799 1281583366 /nfs/dbraw/zinc/58/33/66/1281583366.db2.gz KMIPOJRGPZAPEZ-HOTGVXAUSA-N 1 2 330.388 2.927 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000747529334 1281898908 /nfs/dbraw/zinc/89/89/08/1281898908.db2.gz IASKXWVKLFMGSB-HNNXBMFYSA-N 1 2 336.388 2.721 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000747529334 1281898912 /nfs/dbraw/zinc/89/89/12/1281898912.db2.gz IASKXWVKLFMGSB-HNNXBMFYSA-N 1 2 336.388 2.721 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809700759 1282390439 /nfs/dbraw/zinc/39/04/39/1282390439.db2.gz NMPKQHQAQCYRMV-TZMCWYRMSA-N 1 2 339.823 2.543 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916040 1282564334 /nfs/dbraw/zinc/56/43/34/1282564334.db2.gz VNTPVKSOLXOBGZ-UHFFFAOYSA-N 1 2 335.751 2.877 20 5 EFBDLO COCC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000811059209 1283995868 /nfs/dbraw/zinc/99/58/68/1283995868.db2.gz VRRFPTOVJIPYOJ-UHFFFAOYSA-N 1 2 345.355 2.754 20 5 EFBDLO Cc1c(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000747833852 1285599399 /nfs/dbraw/zinc/59/93/99/1285599399.db2.gz ZYVFIWBVJBJDGG-MRXNPFEDSA-N 1 2 344.415 2.873 20 5 EFBDLO Cc1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813172336 1285703796 /nfs/dbraw/zinc/70/37/96/1285703796.db2.gz FUJQTJGWFXVMIR-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO Cc1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813172336 1285703800 /nfs/dbraw/zinc/70/38/00/1285703800.db2.gz FUJQTJGWFXVMIR-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813409652 1285894319 /nfs/dbraw/zinc/89/43/19/1285894319.db2.gz IHMQQILGNCRXAA-MRVPVSSYSA-N 1 2 343.170 2.917 20 5 EFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000813454422 1285915898 /nfs/dbraw/zinc/91/58/98/1285915898.db2.gz PJLAFYDZNHCQJR-UHFFFAOYSA-N 1 2 341.154 2.795 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ncccn2)c1F ZINC001173180440 1286454659 /nfs/dbraw/zinc/45/46/59/1286454659.db2.gz KLQKPBHONIDLII-LLVKDONJSA-N 1 2 334.351 2.596 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ncccn2)c1F ZINC001173180440 1286454667 /nfs/dbraw/zinc/45/46/67/1286454667.db2.gz KLQKPBHONIDLII-LLVKDONJSA-N 1 2 334.351 2.596 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001173233210 1286484710 /nfs/dbraw/zinc/48/47/10/1286484710.db2.gz JOPCXHNTSYZXIB-HYNSBDGHSA-N 1 2 330.306 2.930 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001173233210 1286484712 /nfs/dbraw/zinc/48/47/12/1286484712.db2.gz JOPCXHNTSYZXIB-HYNSBDGHSA-N 1 2 330.306 2.930 20 5 EFBDLO Nc1cc2nc3ccccc3n(-c3ccc4[nH+]ccn4c3)c-2cc1=O ZINC001174280179 1286955111 /nfs/dbraw/zinc/95/51/11/1286955111.db2.gz TWXDTQBHCTVBGS-UHFFFAOYSA-N 1 2 327.347 2.720 20 5 EFBDLO COc1ccc2[nH+]ccc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2n1 ZINC001176363008 1287965774 /nfs/dbraw/zinc/96/57/74/1287965774.db2.gz JSDFZTKQNRVIMT-UHFFFAOYSA-N 1 2 326.312 2.721 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000816654933 1288230800 /nfs/dbraw/zinc/23/08/00/1288230800.db2.gz IVXWDJPKBBZWLL-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000823268720 1289255080 /nfs/dbraw/zinc/25/50/80/1289255080.db2.gz OEGISBJUSSSECD-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000823268720 1289255083 /nfs/dbraw/zinc/25/50/83/1289255083.db2.gz OEGISBJUSSSECD-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823402507 1289293228 /nfs/dbraw/zinc/29/32/28/1289293228.db2.gz ZRPVTUXTQGESKA-LBPRGKRZSA-N 1 2 348.359 2.685 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003385 1289498834 /nfs/dbraw/zinc/49/88/34/1289498834.db2.gz ZGPDMGAUFLAVIZ-CQSZACIVSA-N 1 2 346.391 2.610 20 5 EFBDLO COC[C@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000091861964 1290571093 /nfs/dbraw/zinc/57/10/93/1290571093.db2.gz CUMAUCOWUILIDU-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO COC[C@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000091861964 1290571102 /nfs/dbraw/zinc/57/11/02/1290571102.db2.gz CUMAUCOWUILIDU-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO 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GJQTXVBCIZKGFI-UHFFFAOYSA-N 1 2 336.388 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000887621581 1295455686 /nfs/dbraw/zinc/45/56/86/1295455686.db2.gz QVCAZNVGRPXWHW-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO Cc1nccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234902108 1313206136 /nfs/dbraw/zinc/20/61/36/1313206136.db2.gz WELBSRDPGHJUOV-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1nccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234902108 1313206140 /nfs/dbraw/zinc/20/61/40/1313206140.db2.gz WELBSRDPGHJUOV-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO C[C@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067918 1297227962 /nfs/dbraw/zinc/22/79/62/1297227962.db2.gz PPXSXJYBJNTLHW-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067918 1297227972 /nfs/dbraw/zinc/22/79/72/1297227972.db2.gz PPXSXJYBJNTLHW-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1nn(C[NH+]2CCC(OCc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000779868305 1298981374 /nfs/dbraw/zinc/98/13/74/1298981374.db2.gz MWAHJDBKUZMOLX-UHFFFAOYSA-N 1 2 348.378 2.878 20 5 EFBDLO CC(C)O[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853520511 1300145341 /nfs/dbraw/zinc/14/53/41/1300145341.db2.gz ZMZMZOXFOHUJSK-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO CC(C)O[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853520511 1300145349 /nfs/dbraw/zinc/14/53/49/1300145349.db2.gz ZMZMZOXFOHUJSK-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853616374 1300195430 /nfs/dbraw/zinc/19/54/30/1300195430.db2.gz VDEQEYHANUIAKI-DGCLKSJQSA-N 1 2 341.358 2.832 20 5 EFBDLO COc1cccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794616962 1302860111 /nfs/dbraw/zinc/86/01/11/1302860111.db2.gz SCXBXEBDQGRLDG-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO COc1cccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794616962 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DQCXGBNLOMKYEX-SJORKVTESA-N 1 2 331.416 2.818 20 5 EFBDLO O=C(CNc1cccc[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900838270 1308750443 /nfs/dbraw/zinc/75/04/43/1308750443.db2.gz NTCKDQDYFZPFNO-MRXNPFEDSA-N 1 2 344.396 2.676 20 5 EFBDLO C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225592007 1311549243 /nfs/dbraw/zinc/54/92/43/1311549243.db2.gz BBQFYGPWLFGCMV-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225592007 1311549246 /nfs/dbraw/zinc/54/92/46/1311549246.db2.gz BBQFYGPWLFGCMV-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225592009 1311549252 /nfs/dbraw/zinc/54/92/52/1311549252.db2.gz BBQFYGPWLFGCMV-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225592009 1311549256 /nfs/dbraw/zinc/54/92/56/1311549256.db2.gz BBQFYGPWLFGCMV-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO 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2.658 20 5 EFBDLO C[C@H](Oc1cncc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227988095 1311885036 /nfs/dbraw/zinc/88/50/36/1311885036.db2.gz NYOGMQZMWJKVSQ-KSSFIOAISA-N 1 2 343.383 2.658 20 5 EFBDLO COc1ccc(Cn2c[nH+]cc2CNc2cc([N+](=O)[O-])ccn2)cc1 ZINC001161505187 1311902961 /nfs/dbraw/zinc/90/29/61/1311902961.db2.gz QGXMLDOQXQIXSC-UHFFFAOYSA-N 1 2 339.355 2.855 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1c[nH+]cn1C(C)C ZINC001161565920 1311917193 /nfs/dbraw/zinc/91/71/93/1311917193.db2.gz WASVOACZGJMBQS-UHFFFAOYSA-N 1 2 333.348 2.556 20 5 EFBDLO Cc1[nH]c2ccc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC001228328798 1311931422 /nfs/dbraw/zinc/93/14/22/1311931422.db2.gz ITBRRXZVFWETRY-QGZVFWFLSA-N 1 2 341.323 2.997 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(Cl)c(NCCCn3cc[nH+]c3)nc2c1 ZINC001161682281 1311949951 /nfs/dbraw/zinc/94/99/51/1311949951.db2.gz MBCOAGCGTPQEEQ-UHFFFAOYSA-N 1 2 332.751 2.890 20 5 EFBDLO CC(C)[NH+]1CCC(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])CC1 ZINC001228859982 1312011200 /nfs/dbraw/zinc/01/12/00/1312011200.db2.gz PLXPSQIYSZWETF-UHFFFAOYSA-N 1 2 349.309 2.966 20 5 EFBDLO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228880910 1312015103 /nfs/dbraw/zinc/01/51/03/1312015103.db2.gz ZUVSSWKITSVKLK-KDOFPFPSSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228880910 1312015105 /nfs/dbraw/zinc/01/51/05/1312015105.db2.gz ZUVSSWKITSVKLK-KDOFPFPSSA-N 1 2 343.383 2.658 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000802786952 1312023669 /nfs/dbraw/zinc/02/36/69/1312023669.db2.gz VJIQHEUUENFBSN-UHFFFAOYSA-N 1 2 328.328 2.599 20 5 EFBDLO COc1cc[nH+]c(C(C)(C)CNc2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001162128961 1312052126 /nfs/dbraw/zinc/05/21/26/1312052126.db2.gz YPWRKWYZCSHRJF-UHFFFAOYSA-N 1 2 337.767 2.832 20 5 EFBDLO CC(C)[NH+]1CC(Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229803441 1312143085 /nfs/dbraw/zinc/14/30/85/1312143085.db2.gz PSULXNBJQGMFTA-UHFFFAOYSA-N 1 2 341.363 2.829 20 5 EFBDLO [NH2+]=C(Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)c1cnc2ccc(F)cn21 ZINC001162676740 1312149729 /nfs/dbraw/zinc/14/97/29/1312149729.db2.gz NPYIVYXEJPBUQP-UHFFFAOYSA-N 1 2 339.290 2.695 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001229898678 1312156749 /nfs/dbraw/zinc/15/67/49/1312156749.db2.gz IDQFMAQAHZBXCG-GFCCVEGCSA-N 1 2 345.168 2.969 20 5 EFBDLO Cc1cc(=O)oc2c1ccc(OC1C[NH+](C(C)(C)C)C1)c2[N+](=O)[O-] ZINC001229944417 1312162895 /nfs/dbraw/zinc/16/28/95/1312162895.db2.gz QTBINIWCIONVSW-UHFFFAOYSA-N 1 2 332.356 2.871 20 5 EFBDLO C[NH+](C)/C=C/c1cc(N2CCC(=O)[C@@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001163792236 1312385828 /nfs/dbraw/zinc/38/58/28/1312385828.db2.gz DZGFUGMSFLCBQS-MMCPSDEHSA-N 1 2 344.415 2.860 20 5 EFBDLO O=C1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]2CCCN12 ZINC001232223167 1312651410 /nfs/dbraw/zinc/65/14/10/1312651410.db2.gz KYTWCZHJENELEW-KRWDZBQOSA-N 1 2 332.407 2.590 20 5 EFBDLO O=C1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]2CCCN12 ZINC001232223167 1312651413 /nfs/dbraw/zinc/65/14/13/1312651413.db2.gz KYTWCZHJENELEW-KRWDZBQOSA-N 1 2 332.407 2.590 20 5 EFBDLO COc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001248461418 1314937126 /nfs/dbraw/zinc/93/71/26/1314937126.db2.gz ZXTXUOKDKUVRJV-UHFFFAOYSA-N 1 2 330.344 2.579 20 5 EFBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c(Cl)c1 ZINC001248603140 1314946702 /nfs/dbraw/zinc/94/67/02/1314946702.db2.gz BDMFKQVWQDGWBP-LBPRGKRZSA-N 1 2 334.763 2.958 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC2(F)F)ccc1Br ZINC001218007489 1315132703 /nfs/dbraw/zinc/13/27/03/1315132703.db2.gz YAZUVOIQAGMNCQ-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218238112 1315169199 /nfs/dbraw/zinc/16/91/99/1315169199.db2.gz UJZDHIILFJKZRN-LBPRGKRZSA-N 1 2 344.314 2.536 20 5 EFBDLO Cc1cc(Br)c(O[C@@H]2C[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218239619 1315169679 /nfs/dbraw/zinc/16/96/79/1315169679.db2.gz PICMZNJAHUTGNH-SNVBAGLBSA-N 1 2 337.120 2.652 20 5 EFBDLO CCCSc1nc(O[C@@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218475533 1315202485 /nfs/dbraw/zinc/20/24/85/1315202485.db2.gz FRPSITINQPSLST-SECBINFHSA-N 1 2 342.421 2.502 20 5 EFBDLO Cc1cc(N2CCOCC2)cc2[nH+]c(-c3ccncc3[N+](=O)[O-])[nH]c21 ZINC001250939684 1315298808 /nfs/dbraw/zinc/29/88/08/1315298808.db2.gz UFRRCWDZAPAJMG-UHFFFAOYSA-N 1 2 339.355 2.678 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001254550610 1315722891 /nfs/dbraw/zinc/72/28/91/1315722891.db2.gz NDLLBZPOIIBSMK-AWEZNQCLSA-N 1 2 343.383 2.577 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001254560054 1315723423 /nfs/dbraw/zinc/72/34/23/1315723423.db2.gz OUXAYJQHJYXTSU-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001254560054 1315723427 /nfs/dbraw/zinc/72/34/27/1315723427.db2.gz OUXAYJQHJYXTSU-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254561584 1315724073 /nfs/dbraw/zinc/72/40/73/1315724073.db2.gz MCMFEIFTUFGPNM-UONOGXRCSA-N 1 2 344.415 2.946 20 5 EFBDLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254561584 1315724077 /nfs/dbraw/zinc/72/40/77/1315724077.db2.gz MCMFEIFTUFGPNM-UONOGXRCSA-N 1 2 344.415 2.946 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC001254564052 1315724134 /nfs/dbraw/zinc/72/41/34/1315724134.db2.gz IAQFDMQZUFTIAV-CQSZACIVSA-N 1 2 333.432 2.716 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001039599471 1315882337 /nfs/dbraw/zinc/88/23/37/1315882337.db2.gz AMNLJJLMAKTOBJ-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001039599471 1315882340 /nfs/dbraw/zinc/88/23/40/1315882340.db2.gz AMNLJJLMAKTOBJ-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO COc1cc(N2CCC([NH+]3C[C@@H](F)[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093750 1315904528 /nfs/dbraw/zinc/90/45/28/1315904528.db2.gz PWZIWHRDXPADCC-ZIAGYGMSSA-N 1 2 341.358 2.564 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001319279977 1328830067 /nfs/dbraw/zinc/83/00/67/1328830067.db2.gz DCJOIASQFJUTSH-MLGOLLRUSA-N 1 2 343.387 2.556 20 5 EFBDLO CCCC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC001319541733 1328913671 /nfs/dbraw/zinc/91/36/71/1328913671.db2.gz RQKVHNKUSLYNRQ-UHFFFAOYSA-N 1 2 349.387 2.774 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001317704816 1328311425 /nfs/dbraw/zinc/31/14/25/1328311425.db2.gz VGFBUZKRHAZMLJ-CHWSQXEVSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001317704816 1328311434 /nfs/dbraw/zinc/31/14/34/1328311434.db2.gz VGFBUZKRHAZMLJ-CHWSQXEVSA-N 1 2 343.383 2.660 20 5 EFBDLO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001323545461 1329550591 /nfs/dbraw/zinc/55/05/91/1329550591.db2.gz FUZUHTWQQCDPIO-SNVBAGLBSA-N 1 2 328.315 2.791 20 5 EFBDLO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001323545461 1329550594 /nfs/dbraw/zinc/55/05/94/1329550594.db2.gz FUZUHTWQQCDPIO-SNVBAGLBSA-N 1 2 328.315 2.791 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001325412376 1329686416 /nfs/dbraw/zinc/68/64/16/1329686416.db2.gz YOMXHWVMUCFRGE-ZFWWWQNUSA-N 1 2 328.372 2.759 20 5 EFBDLO CCOC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]n1 ZINC001328512630 1330598835 /nfs/dbraw/zinc/59/88/35/1330598835.db2.gz QODAFPMJZWFHOX-UHFFFAOYSA-N 1 2 346.387 2.905 20 5 EFBDLO CCOC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]n1 ZINC001328512630 1330598836 /nfs/dbraw/zinc/59/88/36/1330598836.db2.gz QODAFPMJZWFHOX-UHFFFAOYSA-N 1 2 346.387 2.905 20 5 EFBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361893 1331125087 /nfs/dbraw/zinc/12/50/87/1331125087.db2.gz AMPLIWLKKRWJHP-NSHDSACASA-N 1 2 346.353 2.661 20 5 EFBDLO O=C(OCCc1cn2c([nH+]1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001343601671 1332361739 /nfs/dbraw/zinc/36/17/39/1332361739.db2.gz NLVHXQKATBBOOA-UHFFFAOYSA-N 1 2 333.319 2.666 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001347484177 1332749637 /nfs/dbraw/zinc/74/96/37/1332749637.db2.gz ODVVRWGAFYRFDD-GFCCVEGCSA-N 1 2 345.359 2.669 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC001347891231 1332782093 /nfs/dbraw/zinc/78/20/93/1332782093.db2.gz SQFGOORREROQLC-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001348636991 1332855487 /nfs/dbraw/zinc/85/54/87/1332855487.db2.gz BCXCYZWKBZJNHC-JKSUJKDBSA-N 1 2 329.356 2.608 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC001350263191 1333055669 /nfs/dbraw/zinc/05/56/69/1333055669.db2.gz VXJFOOVRDVLUMP-MRXNPFEDSA-N 1 2 342.355 2.983 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000848475946 1334735434 /nfs/dbraw/zinc/73/54/34/1334735434.db2.gz WEHKXAHEOUNZTL-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000848475946 1334735439 /nfs/dbraw/zinc/73/54/39/1334735439.db2.gz WEHKXAHEOUNZTL-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO CC(C)(C)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849195668 1335567223 /nfs/dbraw/zinc/56/72/23/1335567223.db2.gz WQDSRVAZRWIUFZ-UHFFFAOYSA-N 1 2 331.328 2.553 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1C ZINC000125921379 718009332 /nfs/dbraw/zinc/00/93/32/718009332.db2.gz NZBKUXQOSKICST-UHFFFAOYSA-N 1 2 333.319 2.684 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C3OCCO3)co2)cc1 ZINC000933899399 715098973 /nfs/dbraw/zinc/09/89/73/715098973.db2.gz BNCUOFOSIRVEBH-OAHLLOKOSA-N 1 2 345.355 2.587 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C3OCCO3)co2)cc1 ZINC000933899399 715098975 /nfs/dbraw/zinc/09/89/75/715098975.db2.gz BNCUOFOSIRVEBH-OAHLLOKOSA-N 1 2 345.355 2.587 20 5 EFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]2CO)cc1OC ZINC000934015894 715179007 /nfs/dbraw/zinc/17/90/07/715179007.db2.gz IWMYNORELPLZIM-JSGCOSHPSA-N 1 2 338.404 2.595 20 5 EFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]2CO)cc1OC ZINC000934015894 715179008 /nfs/dbraw/zinc/17/90/08/715179008.db2.gz IWMYNORELPLZIM-JSGCOSHPSA-N 1 2 338.404 2.595 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039499755 715347671 /nfs/dbraw/zinc/34/76/71/715347671.db2.gz XDZMGEYUCCURJC-CALCHBBNSA-N 1 2 331.416 2.960 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039499755 715347675 /nfs/dbraw/zinc/34/76/75/715347675.db2.gz XDZMGEYUCCURJC-CALCHBBNSA-N 1 2 331.416 2.960 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1C ZINC000102006628 715623983 /nfs/dbraw/zinc/62/39/83/715623983.db2.gz JISMLXROXYSIRM-UHFFFAOYSA-N 1 2 344.371 2.615 20 5 EFBDLO C[C@@H]1CCC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000052085578 715981897 /nfs/dbraw/zinc/98/18/97/715981897.db2.gz AIEZDGCIYVKWHZ-CQSZACIVSA-N 1 2 342.399 2.898 20 5 EFBDLO C[C@@H]1CCC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000052085578 715981899 /nfs/dbraw/zinc/98/18/99/715981899.db2.gz AIEZDGCIYVKWHZ-CQSZACIVSA-N 1 2 342.399 2.898 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000981039785 718079798 /nfs/dbraw/zinc/07/97/98/718079798.db2.gz POKWGBMTBFMHKB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000981039785 718079801 /nfs/dbraw/zinc/07/98/01/718079801.db2.gz POKWGBMTBFMHKB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535146 722774972 /nfs/dbraw/zinc/77/49/72/722774972.db2.gz IGEQUUOCWNBXIJ-CZUORRHYSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535146 722774975 /nfs/dbraw/zinc/77/49/75/722774975.db2.gz IGEQUUOCWNBXIJ-CZUORRHYSA-N 1 2 336.388 2.698 20 5 EFBDLO O=C(C1CC=CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029251776 723177668 /nfs/dbraw/zinc/17/76/68/723177668.db2.gz MDBYOBQGTYGNPK-CALCHBBNSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(C1CC=CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029251776 723177670 /nfs/dbraw/zinc/17/76/70/723177670.db2.gz MDBYOBQGTYGNPK-CALCHBBNSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(/C=C/C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029251854 723180042 /nfs/dbraw/zinc/18/00/42/723180042.db2.gz AMBXHEJGYCRQNX-ULJNDFNZSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(/C=C/C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029251854 723180046 /nfs/dbraw/zinc/18/00/46/723180046.db2.gz AMBXHEJGYCRQNX-ULJNDFNZSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029257514 723190208 /nfs/dbraw/zinc/19/02/08/723190208.db2.gz XTESTXKHVKWNBT-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029257514 723190212 /nfs/dbraw/zinc/19/02/12/723190212.db2.gz XTESTXKHVKWNBT-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000895123731 723356607 /nfs/dbraw/zinc/35/66/07/723356607.db2.gz HVRQFHPXCGVWGZ-GFCCVEGCSA-N 1 2 336.388 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000895123731 723356611 /nfs/dbraw/zinc/35/66/11/723356611.db2.gz HVRQFHPXCGVWGZ-GFCCVEGCSA-N 1 2 336.388 2.843 20 5 EFBDLO Nc1c(F)c(N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000895352154 724063569 /nfs/dbraw/zinc/06/35/69/724063569.db2.gz LLHQUHQXYUNBIZ-UHFFFAOYSA-N 1 2 331.351 2.792 20 5 EFBDLO O=[N+]([O-])c1c(N2CCC(Nc3cccc[nH+]3)CC2)nc2ccccn21 ZINC000895355828 724068057 /nfs/dbraw/zinc/06/80/57/724068057.db2.gz QIKOVHFBZAGVRN-UHFFFAOYSA-N 1 2 338.371 2.718 20 5 EFBDLO O=[N+]([O-])c1c(N2CCC(Nc3cccc[nH+]3)CC2)nc2sccn21 ZINC000895356080 724068391 /nfs/dbraw/zinc/06/83/91/724068391.db2.gz SGGDTWIVPOZFJU-UHFFFAOYSA-N 1 2 344.400 2.780 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444794988 728869933 /nfs/dbraw/zinc/86/99/33/728869933.db2.gz UFEGKODOGAEWRB-GFCCVEGCSA-N 1 2 340.387 2.584 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728543078 724084358 /nfs/dbraw/zinc/08/43/58/724084358.db2.gz UVQPXWWIBUJPRM-KQQSKNTNSA-N 1 2 326.356 2.668 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728543079 724084687 /nfs/dbraw/zinc/08/46/87/724084687.db2.gz UVQPXWWIBUJPRM-SBSDFTTDSA-N 1 2 326.356 2.668 20 5 EFBDLO Cc1c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000727496853 724085220 /nfs/dbraw/zinc/08/52/20/724085220.db2.gz SKGXMQNKHAXFTG-OAHLLOKOSA-N 1 2 330.388 2.944 20 5 EFBDLO CC(C)Oc1cc(C(=O)OCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC000840649654 724992752 /nfs/dbraw/zinc/99/27/52/724992752.db2.gz UBEJVYFLMVMNOF-UHFFFAOYSA-N 1 2 331.328 2.716 20 5 EFBDLO CNc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000729342709 726317321 /nfs/dbraw/zinc/31/73/21/726317321.db2.gz ORPGUGUOUQJJCS-OAHLLOKOSA-N 1 2 345.403 2.678 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3ccccn3)no2)ccc1-n1cc[nH+]c1 ZINC000731806842 726936714 /nfs/dbraw/zinc/93/67/14/726936714.db2.gz MQVVZXYSHMKWDK-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc(NC(=S)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000916010643 727649417 /nfs/dbraw/zinc/64/94/17/727649417.db2.gz OQPLPCCVTXNHTG-UHFFFAOYSA-N 1 2 345.428 2.657 20 5 EFBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1occc1Cl ZINC001031950665 727989571 /nfs/dbraw/zinc/98/95/71/727989571.db2.gz RRJPAODMTVOQJN-UHFFFAOYSA-N 1 2 349.774 2.703 20 5 EFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000172969145 728612896 /nfs/dbraw/zinc/61/28/96/728612896.db2.gz JYRIFOJJOWLBLD-ZDUSSCGKSA-N 1 2 349.822 2.781 20 5 EFBDLO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)Cn2nccc2[N+](=O)[O-])cc1 ZINC000173427571 728626199 /nfs/dbraw/zinc/62/61/99/728626199.db2.gz LZRIJCPIAQYTCC-QGZVFWFLSA-N 1 2 344.415 2.781 20 5 EFBDLO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)Cn2nccc2[N+](=O)[O-])cc1 ZINC000173427571 728626201 /nfs/dbraw/zinc/62/62/01/728626201.db2.gz LZRIJCPIAQYTCC-QGZVFWFLSA-N 1 2 344.415 2.781 20 5 EFBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)o1 ZINC001031551257 728961182 /nfs/dbraw/zinc/96/11/82/728961182.db2.gz UGRIYXINQSQEPE-UHFFFAOYSA-N 1 2 349.774 2.703 20 5 EFBDLO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1[NH2+]CCc2occc21 ZINC001580799889 1091013296 /nfs/dbraw/zinc/01/32/96/1091013296.db2.gz QKMXYEWZFDJTEH-OAHLLOKOSA-N 1 2 338.323 2.562 20 5 EFBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604804712 1096961508 /nfs/dbraw/zinc/96/15/08/1096961508.db2.gz WIVALJRNYUFPQY-UHFFFAOYSA-N 1 2 342.334 2.546 20 5 EFBDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140922 1098166016 /nfs/dbraw/zinc/16/60/16/1098166016.db2.gz WYQVIFNBDOWKGX-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001609140922 1098166019 /nfs/dbraw/zinc/16/60/19/1098166019.db2.gz WYQVIFNBDOWKGX-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167994855 1099757860 /nfs/dbraw/zinc/75/78/60/1099757860.db2.gz PWPSKFZYHFXLAO-UHFFFAOYSA-N 1 2 332.291 2.552 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CO)c(Br)c1 ZINC000050104294 1100684040 /nfs/dbraw/zinc/68/40/40/1100684040.db2.gz RNCPWBARGGVWMK-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(Br)c1 ZINC000050104294 1100684043 /nfs/dbraw/zinc/68/40/43/1100684043.db2.gz RNCPWBARGGVWMK-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=C(OCC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000784950012 1101612596 /nfs/dbraw/zinc/61/25/96/1101612596.db2.gz XRQNMZLTFBXICB-AWEZNQCLSA-N 1 2 345.355 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c(C(F)(F)F)c1 ZINC001168370239 1103325755 /nfs/dbraw/zinc/32/57/55/1103325755.db2.gz ZTQKGFUXLQZPTE-SNVBAGLBSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c(C(F)(F)F)c1 ZINC001168370239 1103325772 /nfs/dbraw/zinc/32/57/72/1103325772.db2.gz ZTQKGFUXLQZPTE-SNVBAGLBSA-N 1 2 345.321 2.889 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000897582959 1105788673 /nfs/dbraw/zinc/78/86/73/1105788673.db2.gz FJMXQYBLYQPJLM-AWEZNQCLSA-N 1 2 342.399 2.965 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC1([NH+]2CCCC2)COC1 ZINC001168451512 1108648599 /nfs/dbraw/zinc/64/85/99/1108648599.db2.gz MYPIKXXVFSDDFJ-UHFFFAOYSA-N 1 2 345.321 2.890 20 5 EFBDLO Cn1cccc1C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000128359152 1108947624 /nfs/dbraw/zinc/94/76/24/1108947624.db2.gz JVFYKAQWYQPSAG-UHFFFAOYSA-N 1 2 325.372 2.886 20 5 EFBDLO Cn1cccc1C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000128359152 1108947631 /nfs/dbraw/zinc/94/76/31/1108947631.db2.gz JVFYKAQWYQPSAG-UHFFFAOYSA-N 1 2 325.372 2.886 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000153297928 1111315365 /nfs/dbraw/zinc/31/53/65/1111315365.db2.gz MUSUOTJZQRQACG-KRWDZBQOSA-N 1 2 325.324 2.893 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000072073669 1119041512 /nfs/dbraw/zinc/04/15/12/1119041512.db2.gz MIWKVPQLAIIAGH-UHFFFAOYSA-N 1 2 335.404 2.895 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000072073669 1119041516 /nfs/dbraw/zinc/04/15/16/1119041516.db2.gz MIWKVPQLAIIAGH-UHFFFAOYSA-N 1 2 335.404 2.895 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000052835714 214149053 /nfs/dbraw/zinc/14/90/53/214149053.db2.gz IVLMMQBIIZODOQ-AWEZNQCLSA-N 1 2 331.397 2.720 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000052835714 214149057 /nfs/dbraw/zinc/14/90/57/214149057.db2.gz IVLMMQBIIZODOQ-AWEZNQCLSA-N 1 2 331.397 2.720 20 5 EFBDLO Cc1cccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000054220723 214224614 /nfs/dbraw/zinc/22/46/14/214224614.db2.gz QJWKWJLTQHUMRA-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO Cc1cccc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000054220723 214224616 /nfs/dbraw/zinc/22/46/16/214224616.db2.gz QJWKWJLTQHUMRA-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000174925809 231346188 /nfs/dbraw/zinc/34/61/88/231346188.db2.gz KGETURHSZVZPJM-UHFFFAOYSA-N 1 2 346.774 2.606 20 5 EFBDLO CCC(CC)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000172916170 282258064 /nfs/dbraw/zinc/25/80/64/282258064.db2.gz XNGVAZABWQMLFU-MRXNPFEDSA-N 1 2 335.404 2.670 20 5 EFBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000069350055 215384716 /nfs/dbraw/zinc/38/47/16/215384716.db2.gz WQMQENCBABIHCS-ZDUSSCGKSA-N 1 2 334.401 2.537 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367583206 291067274 /nfs/dbraw/zinc/06/72/74/291067274.db2.gz BHYHLMFIQJGMQW-SWLSCSKDSA-N 1 2 339.823 2.543 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nccs1 ZINC000130929903 223189574 /nfs/dbraw/zinc/18/95/74/223189574.db2.gz RRJZXZIMVMMFED-UHFFFAOYSA-N 1 2 332.385 2.654 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nccs1 ZINC000130929903 223189575 /nfs/dbraw/zinc/18/95/75/223189575.db2.gz RRJZXZIMVMMFED-UHFFFAOYSA-N 1 2 332.385 2.654 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412388289 243298895 /nfs/dbraw/zinc/29/88/95/243298895.db2.gz XOGYGKGZAUYVPP-UHFFFAOYSA-N 1 2 332.360 2.528 20 5 EFBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419360891 245388561 /nfs/dbraw/zinc/38/85/61/245388561.db2.gz ACOYQWYWPVRXCM-OAHLLOKOSA-N 1 2 335.429 2.751 20 5 EFBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419360891 245388567 /nfs/dbraw/zinc/38/85/67/245388567.db2.gz ACOYQWYWPVRXCM-OAHLLOKOSA-N 1 2 335.429 2.751 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1[nH+]cnc2c1cnn2C ZINC000014306209 211730579 /nfs/dbraw/zinc/73/05/79/211730579.db2.gz IHIWUKYSDDGXSS-UHFFFAOYSA-N 1 2 332.751 2.561 20 5 EFBDLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1C ZINC000421576715 246022415 /nfs/dbraw/zinc/02/24/15/246022415.db2.gz NAZDWZKPXPEOTI-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1F ZINC000421583157 246023776 /nfs/dbraw/zinc/02/37/76/246023776.db2.gz WSUHQBOXKMSGDY-UHFFFAOYSA-N 1 2 333.319 2.684 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000421775749 246110560 /nfs/dbraw/zinc/11/05/60/246110560.db2.gz YHGQTPLNFZSRQB-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425463539 247094261 /nfs/dbraw/zinc/09/42/61/247094261.db2.gz XZPKOEHHYPEGDK-QWRGUYRKSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425463539 247094264 /nfs/dbraw/zinc/09/42/64/247094264.db2.gz XZPKOEHHYPEGDK-QWRGUYRKSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482715 247102563 /nfs/dbraw/zinc/10/25/63/247102563.db2.gz TZRIGXWPEYUMMA-JQWIXIFHSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482715 247102566 /nfs/dbraw/zinc/10/25/66/247102566.db2.gz TZRIGXWPEYUMMA-JQWIXIFHSA-N 1 2 343.221 2.950 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2[nH+]1 ZINC000433694763 248081205 /nfs/dbraw/zinc/08/12/05/248081205.db2.gz PRQFPZHMYQRBJY-UHFFFAOYSA-N 1 2 328.332 2.878 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)C3)nc2c1 ZINC000435055838 248209432 /nfs/dbraw/zinc/20/94/32/248209432.db2.gz KPRFYCFTSDPGTA-ZDUSSCGKSA-N 1 2 345.277 2.625 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)C3)nc2c1 ZINC000435055838 248209434 /nfs/dbraw/zinc/20/94/34/248209434.db2.gz KPRFYCFTSDPGTA-ZDUSSCGKSA-N 1 2 345.277 2.625 20 5 EFBDLO Cc1cnc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266219286 248182745 /nfs/dbraw/zinc/18/27/45/248182745.db2.gz PYEUXALUARKHQI-AWEZNQCLSA-N 1 2 348.428 2.845 20 5 EFBDLO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000432049927 284730635 /nfs/dbraw/zinc/73/06/35/284730635.db2.gz XJMRDYKXEOTPRF-HUUCEWRRSA-N 1 2 349.431 2.931 20 5 EFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)c1ccccc1 ZINC000444625190 250320564 /nfs/dbraw/zinc/32/05/64/250320564.db2.gz NXJYULBCZHIIFJ-MRXNPFEDSA-N 1 2 326.356 2.637 20 5 EFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)c1ccccc1 ZINC000444625190 250320569 /nfs/dbraw/zinc/32/05/69/250320569.db2.gz NXJYULBCZHIIFJ-MRXNPFEDSA-N 1 2 326.356 2.637 20 5 EFBDLO CCC[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449373433 251002085 /nfs/dbraw/zinc/00/20/85/251002085.db2.gz BUSPCFKNSSKWCS-HOTGVXAUSA-N 1 2 332.404 2.822 20 5 EFBDLO COc1cc(C[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449389970 251008701 /nfs/dbraw/zinc/00/87/01/251008701.db2.gz FIWNRZHSALJXOC-JTQLQIEISA-N 1 2 334.294 2.791 20 5 EFBDLO COc1cc(C[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449389970 251008704 /nfs/dbraw/zinc/00/87/04/251008704.db2.gz FIWNRZHSALJXOC-JTQLQIEISA-N 1 2 334.294 2.791 20 5 EFBDLO CC(C)N(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159826 251282236 /nfs/dbraw/zinc/28/22/36/251282236.db2.gz LELYADXNYMXKKF-UHFFFAOYSA-N 1 2 338.314 2.896 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450253283 251317713 /nfs/dbraw/zinc/31/77/13/251317713.db2.gz NHLMIGKEDLUQBY-UHFFFAOYSA-N 1 2 335.429 2.915 20 5 EFBDLO C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000454380960 252242499 /nfs/dbraw/zinc/24/24/99/252242499.db2.gz YODSKXBZDYAZBD-MJVIPROJSA-N 1 2 329.360 2.858 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000354982274 285082540 /nfs/dbraw/zinc/08/25/40/285082540.db2.gz GKTVZNMJPHRWHU-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000354982274 285082542 /nfs/dbraw/zinc/08/25/42/285082542.db2.gz GKTVZNMJPHRWHU-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246596006 285088667 /nfs/dbraw/zinc/08/86/67/285088667.db2.gz CXYOTMQIPADRMJ-OCCSQVGLSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246596006 285088669 /nfs/dbraw/zinc/08/86/69/285088669.db2.gz CXYOTMQIPADRMJ-OCCSQVGLSA-N 1 2 328.821 2.955 20 5 EFBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000093390849 285098481 /nfs/dbraw/zinc/09/84/81/285098481.db2.gz MFJRXSQQANCUAH-ZDUSSCGKSA-N 1 2 342.461 2.973 20 5 EFBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000093390849 285098483 /nfs/dbraw/zinc/09/84/83/285098483.db2.gz MFJRXSQQANCUAH-ZDUSSCGKSA-N 1 2 342.461 2.973 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000411927567 285147837 /nfs/dbraw/zinc/14/78/37/285147837.db2.gz SMMBPLHVRLDEBO-WMLDXEAASA-N 1 2 338.367 2.779 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000411927567 285147839 /nfs/dbraw/zinc/14/78/39/285147839.db2.gz SMMBPLHVRLDEBO-WMLDXEAASA-N 1 2 338.367 2.779 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000112668902 220369314 /nfs/dbraw/zinc/36/93/14/220369314.db2.gz FFLHGWDNCGBBSL-UHFFFAOYSA-N 1 2 328.372 2.650 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000112670300 220369396 /nfs/dbraw/zinc/36/93/96/220369396.db2.gz CAPLNPNAHCPMTK-UHFFFAOYSA-N 1 2 342.399 2.579 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112669592 220370200 /nfs/dbraw/zinc/37/02/00/220370200.db2.gz LUTWMPGUFHCORY-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154372341 224244836 /nfs/dbraw/zinc/24/48/36/224244836.db2.gz SREQHIJUKVTWQL-LBPRGKRZSA-N 1 2 344.371 2.961 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC2(CCC2)C1 ZINC000154372341 224244838 /nfs/dbraw/zinc/24/48/38/224244838.db2.gz SREQHIJUKVTWQL-LBPRGKRZSA-N 1 2 344.371 2.961 20 5 EFBDLO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000154255833 224226816 /nfs/dbraw/zinc/22/68/16/224226816.db2.gz DBUSIULDNPNWAM-UHFFFAOYSA-N 1 2 342.399 2.789 20 5 EFBDLO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000154255833 224226817 /nfs/dbraw/zinc/22/68/17/224226817.db2.gz DBUSIULDNPNWAM-UHFFFAOYSA-N 1 2 342.399 2.789 20 5 EFBDLO COc1ccc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000455106749 255598526 /nfs/dbraw/zinc/59/85/26/255598526.db2.gz SPBOCVLNIIFZMU-ONGXEEELSA-N 1 2 331.332 2.627 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455482953 255618051 /nfs/dbraw/zinc/61/80/51/255618051.db2.gz PSBOFQHVPDYQHI-WFASDCNBSA-N 1 2 343.387 2.681 20 5 EFBDLO CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456328014 255634716 /nfs/dbraw/zinc/63/47/16/255634716.db2.gz YPXYUKQFGYKDAK-KBPBESRZSA-N 1 2 328.372 2.802 20 5 EFBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc(C(C)C)[nH+]1 ZINC000015117726 135706705 /nfs/dbraw/zinc/70/67/05/135706705.db2.gz ZFOXAQUSYCBNID-UHFFFAOYSA-N 1 2 342.403 2.538 20 5 EFBDLO C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000344437501 142016714 /nfs/dbraw/zinc/01/67/14/142016714.db2.gz MUTBULNVOISKML-ABAIWWIYSA-N 1 2 343.387 2.840 20 5 EFBDLO Cc1c(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000348053032 142313989 /nfs/dbraw/zinc/31/39/89/142313989.db2.gz HIDADTFYOAPHMF-AWEZNQCLSA-N 1 2 329.360 2.910 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341184064 145007794 /nfs/dbraw/zinc/00/77/94/145007794.db2.gz HWHJFRRGTIIKGJ-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO NC(=O)c1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000341437122 145052072 /nfs/dbraw/zinc/05/20/72/145052072.db2.gz XVUBUXHFSNVBPU-UHFFFAOYSA-N 1 2 341.371 2.823 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342629259 145162517 /nfs/dbraw/zinc/16/25/17/145162517.db2.gz DSFWLDGAINXYPP-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342629259 145162518 /nfs/dbraw/zinc/16/25/18/145162518.db2.gz DSFWLDGAINXYPP-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342916840 145221143 /nfs/dbraw/zinc/22/11/43/145221143.db2.gz UNRDDOLXVMBALQ-UHFFFAOYSA-N 1 2 349.350 2.696 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cn21 ZINC000342917622 145221628 /nfs/dbraw/zinc/22/16/28/145221628.db2.gz BWULOMPYOBDOPX-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000343639295 145258783 /nfs/dbraw/zinc/25/87/83/145258783.db2.gz FZHDGIXUXCYYBW-NHYWBVRUSA-N 1 2 344.346 2.840 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000343757632 145287295 /nfs/dbraw/zinc/28/72/95/145287295.db2.gz APTVLFKYMLZKER-UHFFFAOYSA-N 1 2 340.339 2.571 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000351026653 146107483 /nfs/dbraw/zinc/10/74/83/146107483.db2.gz POWHKYMWOVHUNX-TZMCWYRMSA-N 1 2 348.334 2.710 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000351026653 146107484 /nfs/dbraw/zinc/10/74/84/146107484.db2.gz POWHKYMWOVHUNX-TZMCWYRMSA-N 1 2 348.334 2.710 20 5 EFBDLO COc1cc(CNc2[nH]c3cccc(Cl)c3[nH+]2)cc([N+](=O)[O-])c1O ZINC000351564555 146147304 /nfs/dbraw/zinc/14/73/04/146147304.db2.gz FSOJSZSPZCVJMG-UHFFFAOYSA-N 1 2 348.746 2.873 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000351578906 146150397 /nfs/dbraw/zinc/15/03/97/146150397.db2.gz HXKOTRNOJMBGNG-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000351578906 146150399 /nfs/dbraw/zinc/15/03/99/146150399.db2.gz HXKOTRNOJMBGNG-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000351603381 146156652 /nfs/dbraw/zinc/15/66/52/146156652.db2.gz KXDBNVYFGXZOEU-UHFFFAOYSA-N 1 2 345.424 2.987 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000351603381 146156653 /nfs/dbraw/zinc/15/66/53/146156653.db2.gz KXDBNVYFGXZOEU-UHFFFAOYSA-N 1 2 345.424 2.987 20 5 EFBDLO Cn1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1[N+](=O)[O-] ZINC000351839215 146215422 /nfs/dbraw/zinc/21/54/22/146215422.db2.gz NKWRZVKMYLTJIS-UHFFFAOYSA-N 1 2 349.416 2.628 20 5 EFBDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351980904 146254504 /nfs/dbraw/zinc/25/45/04/146254504.db2.gz GAKTXYQRSZRGHS-SWLSCSKDSA-N 1 2 339.823 2.543 20 5 EFBDLO CCC[C@H]([NH2+]C(C)C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000352150785 146302019 /nfs/dbraw/zinc/30/20/19/146302019.db2.gz UYAAAYXCSFNWCI-AWEZNQCLSA-N 1 2 345.403 2.512 20 5 EFBDLO COc1cc[nH+]c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1OC ZINC000352918899 146349476 /nfs/dbraw/zinc/34/94/76/146349476.db2.gz ZNHBWYFSOBNFDG-UHFFFAOYSA-N 1 2 340.339 2.919 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](COC(F)F)C3)nc2c1 ZINC000353020856 146376416 /nfs/dbraw/zinc/37/64/16/146376416.db2.gz BFWFAEMJPCWHEW-SECBINFHSA-N 1 2 326.303 2.532 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](COC(F)F)C3)nc2c1 ZINC000353020856 146376418 /nfs/dbraw/zinc/37/64/18/146376418.db2.gz BFWFAEMJPCWHEW-SECBINFHSA-N 1 2 326.303 2.532 20 5 EFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000355599217 147008669 /nfs/dbraw/zinc/00/86/69/147008669.db2.gz BXDFYNXPYZSBAV-UHFFFAOYSA-N 1 2 342.359 2.754 20 5 EFBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685722 147309140 /nfs/dbraw/zinc/30/91/40/147309140.db2.gz XIFFOWWVLKPBBR-KDOFPFPSSA-N 1 2 345.443 2.990 20 5 EFBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685722 147309143 /nfs/dbraw/zinc/30/91/43/147309143.db2.gz XIFFOWWVLKPBBR-KDOFPFPSSA-N 1 2 345.443 2.990 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000356758857 147328838 /nfs/dbraw/zinc/32/88/38/147328838.db2.gz BYAYLOVELNSBIU-UHFFFAOYSA-N 1 2 334.401 2.759 20 5 EFBDLO CCC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000359443322 148085894 /nfs/dbraw/zinc/08/58/94/148085894.db2.gz ZMEAFEKOJRHCMF-KRWDZBQOSA-N 1 2 349.431 2.956 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000359517718 148107251 /nfs/dbraw/zinc/10/72/51/148107251.db2.gz OWZMRWBAFOUFHT-UHFFFAOYSA-N 1 2 343.368 2.680 20 5 EFBDLO Cc1c(C[NH2+]Cc2nccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000359811362 148195688 /nfs/dbraw/zinc/19/56/88/148195688.db2.gz DQQUHENNWITRAC-UHFFFAOYSA-N 1 2 328.294 2.952 20 5 EFBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359878667 148213085 /nfs/dbraw/zinc/21/30/85/148213085.db2.gz NPMQBSNZDMTOQH-UHFFFAOYSA-N 1 2 347.337 2.690 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360310203 148327680 /nfs/dbraw/zinc/32/76/80/148327680.db2.gz OBSTXFIHRXNHNX-CYBMUJFWSA-N 1 2 334.420 2.782 20 5 EFBDLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1C ZINC000361958199 148731714 /nfs/dbraw/zinc/73/17/14/148731714.db2.gz QJLCZDZWBVVSJX-UHFFFAOYSA-N 1 2 326.312 2.812 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000364064292 149060140 /nfs/dbraw/zinc/06/01/40/149060140.db2.gz QAMJCDCRUPUTRS-ZDUSSCGKSA-N 1 2 343.387 2.967 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3c3[nH]cc[nH+]3)o2)cc1 ZINC000364719624 149226764 /nfs/dbraw/zinc/22/67/64/149226764.db2.gz AKORSVLHOSLXEF-ZDUSSCGKSA-N 1 2 340.343 2.705 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000364901978 149271863 /nfs/dbraw/zinc/27/18/63/149271863.db2.gz ALZSQRXRHYGYOD-QMTHXVAHSA-N 1 2 332.335 2.924 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366736459 149703363 /nfs/dbraw/zinc/70/33/63/149703363.db2.gz CVCNJDDLDKHVTG-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000371823714 292225948 /nfs/dbraw/zinc/22/59/48/292225948.db2.gz GGTZIFWFDAZTOH-HNNXBMFYSA-N 1 2 332.429 2.927 20 5 EFBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000371823714 292225949 /nfs/dbraw/zinc/22/59/49/292225949.db2.gz GGTZIFWFDAZTOH-HNNXBMFYSA-N 1 2 332.429 2.927 20 5 EFBDLO Cc1cc(N2CC([C@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373687440 151209735 /nfs/dbraw/zinc/20/97/35/151209735.db2.gz WXQIGRXSRBSNAX-AWEZNQCLSA-N 1 2 340.383 2.833 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000373780661 151225153 /nfs/dbraw/zinc/22/51/53/151225153.db2.gz NPBDRRXNXZBHQO-MDZDMXLPSA-N 1 2 340.383 2.799 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374364501 151331879 /nfs/dbraw/zinc/33/18/79/151331879.db2.gz TZXGMJYUNJMCOP-GFCCVEGCSA-N 1 2 348.790 2.540 20 5 EFBDLO CSc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374381625 151335757 /nfs/dbraw/zinc/33/57/57/151335757.db2.gz WFDGYDFXUCRAGT-LBPRGKRZSA-N 1 2 346.412 2.680 20 5 EFBDLO CCc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000375953454 151628853 /nfs/dbraw/zinc/62/88/53/151628853.db2.gz HQKQZSZMYHCYGR-UHFFFAOYSA-N 1 2 342.399 2.962 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378520932 152108771 /nfs/dbraw/zinc/10/87/71/152108771.db2.gz MJHQPOZMJMNEPD-OAHLLOKOSA-N 1 2 339.355 2.705 20 5 EFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408447455 152192754 /nfs/dbraw/zinc/19/27/54/152192754.db2.gz XPTAEAIKKWUFNZ-ZNMIVQPWSA-N 1 2 345.443 2.846 20 5 EFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408447455 152192755 /nfs/dbraw/zinc/19/27/55/152192755.db2.gz XPTAEAIKKWUFNZ-ZNMIVQPWSA-N 1 2 345.443 2.846 20 5 EFBDLO CSc1cccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456430672 286730279 /nfs/dbraw/zinc/73/02/79/286730279.db2.gz SFVQGUJXNJUIST-MWLCHTKSSA-N 1 2 332.385 2.949 20 5 EFBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc([N+](=O)[O-])c1 ZINC000122515836 222104355 /nfs/dbraw/zinc/10/43/55/222104355.db2.gz SNPXMJDLWLSFPU-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc([N+](=O)[O-])c1 ZINC000122515836 222104357 /nfs/dbraw/zinc/10/43/57/222104357.db2.gz SNPXMJDLWLSFPU-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122316343 222060913 /nfs/dbraw/zinc/06/09/13/222060913.db2.gz YRLCEZYLDOZDFC-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122316343 222060917 /nfs/dbraw/zinc/06/09/17/222060917.db2.gz YRLCEZYLDOZDFC-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122625434 222126141 /nfs/dbraw/zinc/12/61/41/222126141.db2.gz RVOUMNZCXMLFAM-JTQLQIEISA-N 1 2 334.825 2.503 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122625434 222126143 /nfs/dbraw/zinc/12/61/43/222126143.db2.gz RVOUMNZCXMLFAM-JTQLQIEISA-N 1 2 334.825 2.503 20 5 EFBDLO COc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000271945666 266103155 /nfs/dbraw/zinc/10/31/55/266103155.db2.gz QAUZOPOZQIVVGF-GFCCVEGCSA-N 1 2 344.371 2.698 20 5 EFBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272497480 266285484 /nfs/dbraw/zinc/28/54/84/266285484.db2.gz GFAVFAMSGZROCE-CVEARBPZSA-N 1 2 332.404 2.678 20 5 EFBDLO Cc1csc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272533413 266297511 /nfs/dbraw/zinc/29/75/11/266297511.db2.gz NMSMISVWKIECQP-OAHLLOKOSA-N 1 2 343.412 2.972 20 5 EFBDLO CCCCOCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589589 266317679 /nfs/dbraw/zinc/31/76/79/266317679.db2.gz ZVFKRBJHSZLUHT-MRXNPFEDSA-N 1 2 332.404 2.824 20 5 EFBDLO CCc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272650157 266339108 /nfs/dbraw/zinc/33/91/08/266339108.db2.gz MWBCZGJERWNVMW-OAHLLOKOSA-N 1 2 346.387 2.989 20 5 EFBDLO CCc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272650157 266339111 /nfs/dbraw/zinc/33/91/11/266339111.db2.gz MWBCZGJERWNVMW-OAHLLOKOSA-N 1 2 346.387 2.989 20 5 EFBDLO Cc1c(Cc2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272688074 266351920 /nfs/dbraw/zinc/35/19/20/266351920.db2.gz TXJULORNFVSVJQ-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1c(Cc2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272688074 266351923 /nfs/dbraw/zinc/35/19/23/266351923.db2.gz TXJULORNFVSVJQ-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO CC(C)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000276359706 266971054 /nfs/dbraw/zinc/97/10/54/266971054.db2.gz AEZXDTWLDBVOLS-HNNXBMFYSA-N 1 2 331.376 2.633 20 5 EFBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000276536161 267008205 /nfs/dbraw/zinc/00/82/05/267008205.db2.gz CPTLBNOAIWTXRG-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO Cc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000110598793 273013220 /nfs/dbraw/zinc/01/32/20/273013220.db2.gz UJSKMFKJJKXBIM-UHFFFAOYSA-N 1 2 326.356 2.838 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000119295666 273017034 /nfs/dbraw/zinc/01/70/34/273017034.db2.gz XXKKNCLVGMYSFX-JSGCOSHPSA-N 1 2 328.372 2.540 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000277976468 267311794 /nfs/dbraw/zinc/31/17/94/267311794.db2.gz HBQCZKYMEIMBHX-UONOGXRCSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000277976468 267311797 /nfs/dbraw/zinc/31/17/97/267311797.db2.gz HBQCZKYMEIMBHX-UONOGXRCSA-N 1 2 330.344 2.571 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278044670 267327799 /nfs/dbraw/zinc/32/77/99/267327799.db2.gz LMAQVTPIFJHZSR-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278044670 267327801 /nfs/dbraw/zinc/32/78/01/267327801.db2.gz LMAQVTPIFJHZSR-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000269673652 273088536 /nfs/dbraw/zinc/08/85/36/273088536.db2.gz VTKLNKHMABTYPC-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000269673652 273088537 /nfs/dbraw/zinc/08/85/37/273088537.db2.gz VTKLNKHMABTYPC-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000277509584 273159404 /nfs/dbraw/zinc/15/94/04/273159404.db2.gz JRYSISSPLOROOL-UHFFFAOYSA-N 1 2 344.415 2.835 20 5 EFBDLO CC(C)n1nccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279678380 273241173 /nfs/dbraw/zinc/24/11/73/273241173.db2.gz PPQKPKYAHKHZFF-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280192462 273300682 /nfs/dbraw/zinc/30/06/82/273300682.db2.gz HLSYQQQBIUKCCC-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280192462 273300684 /nfs/dbraw/zinc/30/06/84/273300684.db2.gz HLSYQQQBIUKCCC-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388503 273322831 /nfs/dbraw/zinc/32/28/31/273322831.db2.gz KGCOQJSYIJMCJZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388503 273322833 /nfs/dbraw/zinc/32/28/33/273322833.db2.gz KGCOQJSYIJMCJZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[nH+]1 ZINC000280499078 273334468 /nfs/dbraw/zinc/33/44/68/273334468.db2.gz PFLYATBVBNHJQF-UHFFFAOYSA-N 1 2 342.355 2.909 20 5 EFBDLO CCC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280646516 273350522 /nfs/dbraw/zinc/35/05/22/273350522.db2.gz DXYUKTXMOKDUHC-CYBMUJFWSA-N 1 2 335.404 2.568 20 5 EFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000281894080 273483356 /nfs/dbraw/zinc/48/33/56/273483356.db2.gz TVQFPVZLBHOZGJ-AWEZNQCLSA-N 1 2 343.387 2.761 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285593095 274033078 /nfs/dbraw/zinc/03/30/78/274033078.db2.gz WCPVPOWWPSYLCG-ZDUSSCGKSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285593095 274033081 /nfs/dbraw/zinc/03/30/81/274033081.db2.gz WCPVPOWWPSYLCG-ZDUSSCGKSA-N 1 2 339.367 2.787 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801250 274077692 /nfs/dbraw/zinc/07/76/92/274077692.db2.gz FUQNZCRCPJUHEE-WFASDCNBSA-N 1 2 339.823 2.543 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285863044 274089453 /nfs/dbraw/zinc/08/94/53/274089453.db2.gz YMKOCEFYRQHKQS-CYBMUJFWSA-N 1 2 348.359 2.511 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285863044 274089455 /nfs/dbraw/zinc/08/94/55/274089455.db2.gz YMKOCEFYRQHKQS-CYBMUJFWSA-N 1 2 348.359 2.511 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000286163793 274145606 /nfs/dbraw/zinc/14/56/06/274145606.db2.gz CHFNEZQXXIFERL-LBPRGKRZSA-N 1 2 346.362 2.966 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000286233276 274158648 /nfs/dbraw/zinc/15/86/48/274158648.db2.gz OHAXMTMKRWVGHT-SNVBAGLBSA-N 1 2 342.384 2.685 20 5 EFBDLO CC(C)SCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000286751361 274265687 /nfs/dbraw/zinc/26/56/87/274265687.db2.gz OPALCLGBJOHPLZ-UHFFFAOYSA-N 1 2 334.401 2.652 20 5 EFBDLO CC(C)Oc1cc[nH+]cc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000287026676 274325087 /nfs/dbraw/zinc/32/50/87/274325087.db2.gz RFEMLFQKDXLUDD-UHFFFAOYSA-N 1 2 346.339 2.899 20 5 EFBDLO NC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289289823 274735907 /nfs/dbraw/zinc/73/59/07/274735907.db2.gz AGXSQUKFAJDSMI-UHFFFAOYSA-N 1 2 332.187 2.599 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)s1 ZINC000337028072 275041205 /nfs/dbraw/zinc/04/12/05/275041205.db2.gz WONXAFGHDLLUCY-UHFFFAOYSA-N 1 2 345.359 2.939 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456415926 276499088 /nfs/dbraw/zinc/49/90/88/276499088.db2.gz JPBPGSKZTRZIGP-MNOVXSKESA-N 1 2 330.344 2.626 20 5 EFBDLO C[N@@H+]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000124556468 277188140 /nfs/dbraw/zinc/18/81/40/277188140.db2.gz LZSYEDJJAGFMSR-UHFFFAOYSA-N 1 2 346.412 2.611 20 5 EFBDLO C[N@H+]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000124556468 277188142 /nfs/dbraw/zinc/18/81/42/277188142.db2.gz LZSYEDJJAGFMSR-UHFFFAOYSA-N 1 2 346.412 2.611 20 5 EFBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361602347 278336828 /nfs/dbraw/zinc/33/68/28/278336828.db2.gz JCWCOHFJIYMQQF-QGZVFWFLSA-N 1 2 338.379 2.894 20 5 EFBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361602347 278336830 /nfs/dbraw/zinc/33/68/30/278336830.db2.gz JCWCOHFJIYMQQF-QGZVFWFLSA-N 1 2 338.379 2.894 20 5 EFBDLO C[C@@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451156588 278574584 /nfs/dbraw/zinc/57/45/84/278574584.db2.gz SFZOXSOZGRNGHS-GFCCVEGCSA-N 1 2 346.412 2.748 20 5 EFBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000262515361 279060402 /nfs/dbraw/zinc/06/04/02/279060402.db2.gz LENXMHCULHFJQL-ZDUSSCGKSA-N 1 2 335.404 2.527 20 5 EFBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000262515361 279060403 /nfs/dbraw/zinc/06/04/03/279060403.db2.gz LENXMHCULHFJQL-ZDUSSCGKSA-N 1 2 335.404 2.527 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000268797021 281012204 /nfs/dbraw/zinc/01/22/04/281012204.db2.gz CDLIPUMNRKVWBY-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000076776361 292760444 /nfs/dbraw/zinc/76/04/44/292760444.db2.gz NDGGGRGXGPKBEB-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)[nH+]1 ZINC000119085738 292899417 /nfs/dbraw/zinc/89/94/17/292899417.db2.gz LAOMLEUVCSIWHW-UHFFFAOYSA-N 1 2 343.339 2.559 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000119559268 292909722 /nfs/dbraw/zinc/90/97/22/292909722.db2.gz OCTXTQWSVPZJBU-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000125954853 293022032 /nfs/dbraw/zinc/02/20/32/293022032.db2.gz XXALNZDTUDTCCO-UHFFFAOYSA-N 1 2 336.351 2.985 20 5 EFBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCCO1 ZINC000126006911 293024230 /nfs/dbraw/zinc/02/42/30/293024230.db2.gz IPKGYHICJWNARO-AWEZNQCLSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCCO1 ZINC000126006911 293024234 /nfs/dbraw/zinc/02/42/34/293024234.db2.gz IPKGYHICJWNARO-AWEZNQCLSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126181793 293031182 /nfs/dbraw/zinc/03/11/82/293031182.db2.gz ZKXDTTORVMMQPX-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126181793 293031183 /nfs/dbraw/zinc/03/11/83/293031183.db2.gz ZKXDTTORVMMQPX-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Nc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000127570803 293074199 /nfs/dbraw/zinc/07/41/99/293074199.db2.gz BJHFXBJHHRJJIR-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO Cc1csc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000133584280 293262244 /nfs/dbraw/zinc/26/22/44/293262244.db2.gz NFCHCAIWZOMZPI-UHFFFAOYSA-N 1 2 343.368 2.822 20 5 EFBDLO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000290863525 294206319 /nfs/dbraw/zinc/20/63/19/294206319.db2.gz AHFIWKHETNYKOT-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1[nH+]c2ccccc2n1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291084698 294270015 /nfs/dbraw/zinc/27/00/15/294270015.db2.gz OGDFVVZASZHPFO-UHFFFAOYSA-N 1 2 329.360 2.764 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000292342225 294652423 /nfs/dbraw/zinc/65/24/23/294652423.db2.gz ACXCCLSWAPTRMV-LLVKDONJSA-N 1 2 330.344 2.559 20 5 EFBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)[N@H+]1C ZINC000293856480 295065037 /nfs/dbraw/zinc/06/50/37/295065037.db2.gz AXSQIFAJBZUHIX-PHIMTYICSA-N 1 2 333.413 2.974 20 5 EFBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)[N@@H+]1C ZINC000293856480 295065040 /nfs/dbraw/zinc/06/50/40/295065040.db2.gz AXSQIFAJBZUHIX-PHIMTYICSA-N 1 2 333.413 2.974 20 5 EFBDLO Cc1ccsc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293893999 295073009 /nfs/dbraw/zinc/07/30/09/295073009.db2.gz DWOKICSEHRCVDD-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911296 295077594 /nfs/dbraw/zinc/07/75/94/295077594.db2.gz FYYCBSJXUDKTMB-ZWKOTPCHSA-N 1 2 348.399 2.755 20 5 EFBDLO COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911296 295077596 /nfs/dbraw/zinc/07/75/96/295077596.db2.gz FYYCBSJXUDKTMB-ZWKOTPCHSA-N 1 2 348.399 2.755 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC4(C3)CCOC4)cs2)c1 ZINC000294216785 295129607 /nfs/dbraw/zinc/12/96/07/295129607.db2.gz YQHMBDTWTZOREN-UHFFFAOYSA-N 1 2 331.397 2.941 20 5 EFBDLO CC(C)(CCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N+](=O)[O-] ZINC000294343228 295150957 /nfs/dbraw/zinc/15/09/57/295150957.db2.gz ASIYIOFIXQOUAZ-UHFFFAOYSA-N 1 2 340.449 2.903 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nncn1C ZINC000294758321 295221701 /nfs/dbraw/zinc/22/17/01/295221701.db2.gz YDQXYKNFYKSUBG-MRVPVSSYSA-N 1 2 329.282 2.593 20 5 EFBDLO CC(C)c1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[nH]1 ZINC000294800931 295230243 /nfs/dbraw/zinc/23/02/43/295230243.db2.gz MYECNTDSFGRNPG-UHFFFAOYSA-N 1 2 341.318 2.728 20 5 EFBDLO COc1ccc([C@H](CCO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000339065712 295240002 /nfs/dbraw/zinc/24/00/02/295240002.db2.gz NBSWBJWWKCFQMH-INIZCTEOSA-N 1 2 332.356 2.522 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000411026390 295254666 /nfs/dbraw/zinc/25/46/66/295254666.db2.gz XHPQJOWXFNXCPA-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342111061 295255089 /nfs/dbraw/zinc/25/50/89/295255089.db2.gz MTJNWBNJFLJTGA-ZDUSSCGKSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342111061 295255090 /nfs/dbraw/zinc/25/50/90/295255090.db2.gz MTJNWBNJFLJTGA-ZDUSSCGKSA-N 1 2 343.383 2.652 20 5 EFBDLO CCn1cc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000295285429 295293546 /nfs/dbraw/zinc/29/35/46/295293546.db2.gz BRKQMRJKZAOIFI-NSHDSACASA-N 1 2 342.359 2.712 20 5 EFBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000295900205 295393801 /nfs/dbraw/zinc/39/38/01/295393801.db2.gz CBEMARUYSJVYDC-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000295900205 295393805 /nfs/dbraw/zinc/39/38/05/295393805.db2.gz CBEMARUYSJVYDC-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c[nH+]ccc1OC ZINC000297544583 310906664 /nfs/dbraw/zinc/90/66/64/310906664.db2.gz YOCBNWSEINIUQX-UHFFFAOYSA-N 1 2 330.344 2.883 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000297786364 310930043 /nfs/dbraw/zinc/93/00/43/310930043.db2.gz RBLLDDRFNWUJIB-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297803924 310931263 /nfs/dbraw/zinc/93/12/63/310931263.db2.gz YFVQOJWEJPMBMM-GXTWGEPZSA-N 1 2 343.387 2.968 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000297810511 310931594 /nfs/dbraw/zinc/93/15/94/310931594.db2.gz TYAUKXGEHMLGAH-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO CSc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000298302000 310976498 /nfs/dbraw/zinc/97/64/98/310976498.db2.gz OZFZYNCTPRVEMC-UHFFFAOYSA-N 1 2 346.412 2.708 20 5 EFBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000298795426 311024288 /nfs/dbraw/zinc/02/42/88/311024288.db2.gz HLSRPXYAZRXSQN-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000298795426 311024289 /nfs/dbraw/zinc/02/42/89/311024289.db2.gz HLSRPXYAZRXSQN-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CCCN(CC(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299505602 311091338 /nfs/dbraw/zinc/09/13/38/311091338.db2.gz RSYYKVBPFHGHPM-UHFFFAOYSA-N 1 2 338.314 2.898 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccnc(Cl)c3)CC2)c1 ZINC000299642803 311106180 /nfs/dbraw/zinc/10/61/80/311106180.db2.gz QMUCHHUZXBTUJB-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000301147676 311121376 /nfs/dbraw/zinc/12/13/76/311121376.db2.gz BMXMRYDLFOFCSR-INIZCTEOSA-N 1 2 337.445 2.523 20 5 EFBDLO Cc1nn(C)c(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000301245136 311126600 /nfs/dbraw/zinc/12/66/00/311126600.db2.gz ALBBIWZPFFVLCE-GFCCVEGCSA-N 1 2 339.346 2.630 20 5 EFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)S1 ZINC000301574079 311145420 /nfs/dbraw/zinc/14/54/20/311145420.db2.gz PGMLEXLPBWKVLR-UHFFFAOYSA-N 1 2 338.408 2.737 20 5 EFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000301607915 311147333 /nfs/dbraw/zinc/14/73/33/311147333.db2.gz ZQGIWRATCJCDKT-SNVBAGLBSA-N 1 2 340.836 2.862 20 5 EFBDLO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301790762 311158486 /nfs/dbraw/zinc/15/84/86/311158486.db2.gz RDSMMYKBOYHTJE-HIFRSBDPSA-N 1 2 342.399 2.957 20 5 EFBDLO CC(C)c1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(N(C)C)[nH+]1 ZINC000301954951 311168587 /nfs/dbraw/zinc/16/85/87/311168587.db2.gz KJFOJTJNOCBZRN-UHFFFAOYSA-N 1 2 342.403 2.532 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302006754 311171500 /nfs/dbraw/zinc/17/15/00/311171500.db2.gz VWJIBJBLGYPVBV-UHFFFAOYSA-N 1 2 333.413 2.987 20 5 EFBDLO Cc1cc(N2CC[C@H](O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302391935 311189126 /nfs/dbraw/zinc/18/91/26/311189126.db2.gz IKFQRDSBFRKCTC-ABAIWWIYSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(N[C@H]2C[C@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302403586 311189179 /nfs/dbraw/zinc/18/91/79/311189179.db2.gz KLCKKJMVSVEWDH-KBPBESRZSA-N 1 2 328.372 2.932 20 5 EFBDLO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302865921 311205274 /nfs/dbraw/zinc/20/52/74/311205274.db2.gz URRNBHDBTVTXBZ-TXEJJXNPSA-N 1 2 327.812 2.794 20 5 EFBDLO C[C@@H]1C[N@H+](CCN(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302865921 311205276 /nfs/dbraw/zinc/20/52/76/311205276.db2.gz URRNBHDBTVTXBZ-TXEJJXNPSA-N 1 2 327.812 2.794 20 5 EFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000326877304 311244722 /nfs/dbraw/zinc/24/47/22/311244722.db2.gz WKDUCGLXKCGVLZ-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO COCCCCc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351092377 311851568 /nfs/dbraw/zinc/85/15/68/311851568.db2.gz CDAWTSYUBPLHHC-UHFFFAOYSA-N 1 2 343.343 2.800 20 5 EFBDLO Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420629595 312376612 /nfs/dbraw/zinc/37/66/12/312376612.db2.gz PCZCVOHFQQEMFM-TZMCWYRMSA-N 1 2 342.399 2.815 20 5 EFBDLO CCOC(=O)c1ccnc(NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000420650397 312379147 /nfs/dbraw/zinc/37/91/47/312379147.db2.gz HSQVCYDGTRPDNX-UHFFFAOYSA-N 1 2 330.344 2.790 20 5 EFBDLO Cc1ccn2cc(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000439132264 312636122 /nfs/dbraw/zinc/63/61/22/312636122.db2.gz XKQOGWRJGRHSJN-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO Cc1cc(N2CC[C@@H](CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450952961 312783303 /nfs/dbraw/zinc/78/33/03/312783303.db2.gz JTPCYVGFMGRNOS-CQSZACIVSA-N 1 2 342.399 2.959 20 5 EFBDLO O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458256290 313095982 /nfs/dbraw/zinc/09/59/82/313095982.db2.gz KUOLWDAMCSKGRU-XBFCOCLRSA-N 1 2 326.356 2.699 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472327517 313185475 /nfs/dbraw/zinc/18/54/75/313185475.db2.gz MYPQVCMYOJVKPV-UONOGXRCSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472327517 313185477 /nfs/dbraw/zinc/18/54/77/313185477.db2.gz MYPQVCMYOJVKPV-UONOGXRCSA-N 1 2 337.395 2.955 20 5 EFBDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481563806 313294181 /nfs/dbraw/zinc/29/41/81/313294181.db2.gz BNORAIHNXBDHKA-GOSISDBHSA-N 1 2 342.395 2.820 20 5 EFBDLO CCc1cc(NC[C@H](O)[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488183862 313465696 /nfs/dbraw/zinc/46/56/96/313465696.db2.gz XRNIOSOQLRJOOQ-LRDDRELGSA-N 1 2 344.415 2.855 20 5 EFBDLO CO[C@@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1OC ZINC000488555258 313495526 /nfs/dbraw/zinc/49/55/26/313495526.db2.gz HGKCGBHJAIKKBO-HUUCEWRRSA-N 1 2 349.412 2.564 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491370113 313739926 /nfs/dbraw/zinc/73/99/26/313739926.db2.gz YIRKJOQHKGOZLO-PLNGDYQASA-N 1 2 326.356 2.737 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492798700 314129347 /nfs/dbraw/zinc/12/93/47/314129347.db2.gz KKTJQUYBHDSXIC-UFNQUYMESA-N 1 2 326.356 2.609 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492916301 314175860 /nfs/dbraw/zinc/17/58/60/314175860.db2.gz AONWWPFARFVXGG-KQQSKNTNSA-N 1 2 326.356 2.609 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927952 314181370 /nfs/dbraw/zinc/18/13/70/314181370.db2.gz SGGXLYNMFMZHDA-YERXGYGTSA-N 1 2 344.346 2.748 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000492990569 314203595 /nfs/dbraw/zinc/20/35/95/314203595.db2.gz QBNBEWRUPQMLOG-FNORWQNLSA-N 1 2 330.319 2.919 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000493131920 314252763 /nfs/dbraw/zinc/25/27/63/314252763.db2.gz LFSCRNDSDLMAAS-ZIAGYGMSSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000493131920 314252764 /nfs/dbraw/zinc/25/27/64/314252764.db2.gz LFSCRNDSDLMAAS-ZIAGYGMSSA-N 1 2 328.821 2.955 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])[nH+]1 ZINC000493187599 314269572 /nfs/dbraw/zinc/26/95/72/314269572.db2.gz MNXFUKSRFJBJEZ-ALCCZGGFSA-N 1 2 332.335 2.830 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493492682 314376480 /nfs/dbraw/zinc/37/64/80/314376480.db2.gz KWYKIYHMAXQJLU-ZRIUIHNJSA-N 1 2 330.319 2.766 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000495791685 314830758 /nfs/dbraw/zinc/83/07/58/314830758.db2.gz DZHVVYFVIGXXDO-UHFFFAOYSA-N 1 2 343.330 2.536 20 5 EFBDLO Cn1ncc2c1nc[nH+]c2SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505689663 315462695 /nfs/dbraw/zinc/46/26/95/315462695.db2.gz JBRCMCOSTVHXOL-UHFFFAOYSA-N 1 2 337.311 2.842 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000518030346 315793293 /nfs/dbraw/zinc/79/32/93/315793293.db2.gz RWDGEQQKVRIALG-CYBMUJFWSA-N 1 2 338.367 2.971 20 5 EFBDLO Cc1cccn2cc(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[nH+]c12 ZINC000522962207 316106406 /nfs/dbraw/zinc/10/64/06/316106406.db2.gz GPZVLKYIUNJGFB-UHFFFAOYSA-N 1 2 336.351 2.683 20 5 EFBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945362 316181874 /nfs/dbraw/zinc/18/18/74/316181874.db2.gz CZWOFEKRPNRKRH-RHSMWYFYSA-N 1 2 342.399 2.691 20 5 EFBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945362 316181876 /nfs/dbraw/zinc/18/18/76/316181876.db2.gz CZWOFEKRPNRKRH-RHSMWYFYSA-N 1 2 342.399 2.691 20 5 EFBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945361 316182038 /nfs/dbraw/zinc/18/20/38/316182038.db2.gz CZWOFEKRPNRKRH-PBHICJAKSA-N 1 2 342.399 2.691 20 5 EFBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945361 316182041 /nfs/dbraw/zinc/18/20/41/316182041.db2.gz CZWOFEKRPNRKRH-PBHICJAKSA-N 1 2 342.399 2.691 20 5 EFBDLO C[C@@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)S1 ZINC000525273345 316204630 /nfs/dbraw/zinc/20/46/30/316204630.db2.gz JIOLYPWHYVYDEQ-GHMZBOCLSA-N 1 2 334.401 2.971 20 5 EFBDLO Cc1cc(N2CCn3cc[nH+]c3C2)c(Br)cc1[N+](=O)[O-] ZINC000530384168 317117354 /nfs/dbraw/zinc/11/73/54/317117354.db2.gz TVOLAANFHKRRTF-UHFFFAOYSA-N 1 2 337.177 2.882 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])ccc2n1C ZINC000532913356 317453844 /nfs/dbraw/zinc/45/38/44/317453844.db2.gz GUUCKLLXMRXNSK-UHFFFAOYSA-N 1 2 342.359 2.889 20 5 EFBDLO Cc1cnc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552045710 318240019 /nfs/dbraw/zinc/24/00/19/318240019.db2.gz MMXZHXJNFKBHIH-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556811242 318410963 /nfs/dbraw/zinc/41/09/63/318410963.db2.gz UCGYNWBGQVIHAE-HNNXBMFYSA-N 1 2 338.310 2.705 20 5 EFBDLO CCC(CC)[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558132769 318458845 /nfs/dbraw/zinc/45/88/45/318458845.db2.gz VLJRHUBAIVQKHH-INIZCTEOSA-N 1 2 344.415 2.991 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000560396627 318546556 /nfs/dbraw/zinc/54/65/56/318546556.db2.gz AUBCPOZDNVTXCI-CQSZACIVSA-N 1 2 343.387 2.621 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000561969882 318618003 /nfs/dbraw/zinc/61/80/03/318618003.db2.gz XGVSUCLCWXJQSP-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000562300710 318632295 /nfs/dbraw/zinc/63/22/95/318632295.db2.gz FKBSZQAHKYSVCS-DZGCQCFKSA-N 1 2 342.399 2.897 20 5 EFBDLO C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000566777220 319108788 /nfs/dbraw/zinc/10/87/88/319108788.db2.gz ADZIQPSKLDMIKP-MIFYACCESA-N 1 2 349.431 2.795 20 5 EFBDLO COC(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000567320924 319159674 /nfs/dbraw/zinc/15/96/74/319159674.db2.gz FBVSXGUTMGQSSX-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000567320924 319159677 /nfs/dbraw/zinc/15/96/77/319159677.db2.gz FBVSXGUTMGQSSX-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO CC(C)(NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000567441995 319170524 /nfs/dbraw/zinc/17/05/24/319170524.db2.gz VTBPETDFMRYGFN-UHFFFAOYSA-N 1 2 345.403 2.806 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916446 319330173 /nfs/dbraw/zinc/33/01/73/319330173.db2.gz KMDZKKFAWFCFPC-SWLSCSKDSA-N 1 2 346.387 2.911 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916446 319330174 /nfs/dbraw/zinc/33/01/74/319330174.db2.gz KMDZKKFAWFCFPC-SWLSCSKDSA-N 1 2 346.387 2.911 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916447 319330302 /nfs/dbraw/zinc/33/03/02/319330302.db2.gz KMDZKKFAWFCFPC-WFASDCNBSA-N 1 2 346.387 2.911 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916447 319330304 /nfs/dbraw/zinc/33/03/04/319330304.db2.gz KMDZKKFAWFCFPC-WFASDCNBSA-N 1 2 346.387 2.911 20 5 EFBDLO CC(C)Oc1nc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000572900235 319714922 /nfs/dbraw/zinc/71/49/22/319714922.db2.gz ZOKVDKLPZJBAOR-UHFFFAOYSA-N 1 2 345.403 2.898 20 5 EFBDLO CO[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000574835664 319898836 /nfs/dbraw/zinc/89/88/36/319898836.db2.gz CJLYKKPBFFTBEJ-SJORKVTESA-N 1 2 349.431 2.652 20 5 EFBDLO C[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000576947911 320063506 /nfs/dbraw/zinc/06/35/06/320063506.db2.gz CDTDOBHJHAKGAD-SNVBAGLBSA-N 1 2 334.401 2.855 20 5 EFBDLO C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)n1cc[nH+]c1 ZINC000577224249 320090468 /nfs/dbraw/zinc/09/04/68/320090468.db2.gz SYLBLHVBAIRAIC-ZDUSSCGKSA-N 1 2 328.372 2.934 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000023828323 323212113 /nfs/dbraw/zinc/21/21/13/323212113.db2.gz BCRSONUJBZTHIL-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000023828323 323212115 /nfs/dbraw/zinc/21/21/15/323212115.db2.gz BCRSONUJBZTHIL-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000026211596 323212531 /nfs/dbraw/zinc/21/25/31/323212531.db2.gz AGKSABWXHBAKEP-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000026211596 323212533 /nfs/dbraw/zinc/21/25/33/323212533.db2.gz AGKSABWXHBAKEP-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184580037 323369354 /nfs/dbraw/zinc/36/93/54/323369354.db2.gz IGXOSKLBOVDWAB-TZMCWYRMSA-N 1 2 347.371 2.801 20 5 EFBDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185324418 323388944 /nfs/dbraw/zinc/38/89/44/323388944.db2.gz NVSJGNGLWBHVGM-AWEZNQCLSA-N 1 2 346.412 2.700 20 5 EFBDLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000185509833 323391480 /nfs/dbraw/zinc/39/14/80/323391480.db2.gz MAYIOURXYBHYTP-LLVKDONJSA-N 1 2 342.330 2.802 20 5 EFBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579734274 324023489 /nfs/dbraw/zinc/02/34/89/324023489.db2.gz SVUSYTMABAQFPP-UHFFFAOYSA-N 1 2 330.388 2.947 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC[C@H]3C3CCC3)n2)c1 ZINC000580191130 324117299 /nfs/dbraw/zinc/11/72/99/324117299.db2.gz KQMMJQIOTWGNAR-HNNXBMFYSA-N 1 2 344.371 2.646 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC[C@H]3C3CCC3)n2)c1 ZINC000580191130 324117302 /nfs/dbraw/zinc/11/73/02/324117302.db2.gz KQMMJQIOTWGNAR-HNNXBMFYSA-N 1 2 344.371 2.646 20 5 EFBDLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580611039 324196694 /nfs/dbraw/zinc/19/66/94/324196694.db2.gz PWLQNTFYAWNUKL-GOSISDBHSA-N 1 2 337.379 2.906 20 5 EFBDLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580611039 324196696 /nfs/dbraw/zinc/19/66/96/324196696.db2.gz PWLQNTFYAWNUKL-GOSISDBHSA-N 1 2 337.379 2.906 20 5 EFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000581024444 324290830 /nfs/dbraw/zinc/29/08/30/324290830.db2.gz FUUZRMKWQQANGX-UHFFFAOYSA-N 1 2 343.368 2.930 20 5 EFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000095456853 473208063 /nfs/dbraw/zinc/20/80/63/473208063.db2.gz BJTJNPNRZQDHOP-AWEZNQCLSA-N 1 2 347.371 2.706 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000161390214 473232285 /nfs/dbraw/zinc/23/22/85/473232285.db2.gz RDLLTYWMJABVSG-GFCCVEGCSA-N 1 2 346.774 2.652 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139774398 473238767 /nfs/dbraw/zinc/23/87/67/473238767.db2.gz SOBKKSUKQOGTBZ-CYBMUJFWSA-N 1 2 333.388 2.567 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139774398 473238772 /nfs/dbraw/zinc/23/87/72/473238772.db2.gz SOBKKSUKQOGTBZ-CYBMUJFWSA-N 1 2 333.388 2.567 20 5 EFBDLO Cc1nc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000161595399 473246407 /nfs/dbraw/zinc/24/64/07/473246407.db2.gz XYYUXNMJTGGORH-UHFFFAOYSA-N 1 2 332.360 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(NCc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000486955542 468015288 /nfs/dbraw/zinc/01/52/88/468015288.db2.gz GHKTYSGKTDCBLN-UHFFFAOYSA-N 1 2 340.343 2.790 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000177020617 473287798 /nfs/dbraw/zinc/28/77/98/473287798.db2.gz JEAOWORUXCUGQK-OKILXGFUSA-N 1 2 326.356 2.653 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000124778656 473302486 /nfs/dbraw/zinc/30/24/86/473302486.db2.gz WWLZMFGFMIDZFG-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000124778656 473302495 /nfs/dbraw/zinc/30/24/95/473302495.db2.gz WWLZMFGFMIDZFG-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162393666 473333533 /nfs/dbraw/zinc/33/35/33/473333533.db2.gz HROOCONPBVLSCN-GFCCVEGCSA-N 1 2 346.774 2.652 20 5 EFBDLO C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185191492 473356527 /nfs/dbraw/zinc/35/65/27/473356527.db2.gz HNEFNJMRKLDSTL-LBPRGKRZSA-N 1 2 346.362 2.898 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000162659045 473368221 /nfs/dbraw/zinc/36/82/21/473368221.db2.gz NIPJPGOUQBQFHP-OAHLLOKOSA-N 1 2 342.355 2.983 20 5 EFBDLO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C2CCCCC2)no1 ZINC000185236054 473372967 /nfs/dbraw/zinc/37/29/67/473372967.db2.gz KTGVKKQNHHIPIN-NSHDSACASA-N 1 2 334.380 2.573 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCn4ccnc4C3)o2)c1 ZINC000355389403 475896090 /nfs/dbraw/zinc/89/60/90/475896090.db2.gz DFLNPOKGLZHLBI-UHFFFAOYSA-N 1 2 339.355 2.505 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCn4ccnc4C3)o2)c1 ZINC000355389403 475896102 /nfs/dbraw/zinc/89/61/02/475896102.db2.gz DFLNPOKGLZHLBI-UHFFFAOYSA-N 1 2 339.355 2.505 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCn4cc[nH+]c4C3)o2)c1 ZINC000355389403 475896106 /nfs/dbraw/zinc/89/61/06/475896106.db2.gz DFLNPOKGLZHLBI-UHFFFAOYSA-N 1 2 339.355 2.505 20 5 EFBDLO Cc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)ncn1 ZINC000602579295 479406641 /nfs/dbraw/zinc/40/66/41/479406641.db2.gz GDJBMSAGFIIPTF-UHFFFAOYSA-N 1 2 343.206 2.807 20 5 EFBDLO CCn1ncnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602637868 479441693 /nfs/dbraw/zinc/44/16/93/479441693.db2.gz HYKVHADALLKHCB-UHFFFAOYSA-N 1 2 329.282 2.515 20 5 EFBDLO O=C(NC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593881280 479495286 /nfs/dbraw/zinc/49/52/86/479495286.db2.gz FBLNFFVHCITWQH-UHFFFAOYSA-N 1 2 326.356 2.843 20 5 EFBDLO C[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000006319947 471540353 /nfs/dbraw/zinc/54/03/53/471540353.db2.gz OFEBJPASLWYNLA-UHFFFAOYSA-N 1 2 340.383 2.726 20 5 EFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007668245 471628207 /nfs/dbraw/zinc/62/82/07/471628207.db2.gz RMKOCLKUMNIARY-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007668245 471628212 /nfs/dbraw/zinc/62/82/12/471628212.db2.gz RMKOCLKUMNIARY-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015369889 471902625 /nfs/dbraw/zinc/90/26/25/471902625.db2.gz BRDAZIKBXYPJSJ-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015369889 471902630 /nfs/dbraw/zinc/90/26/30/471902630.db2.gz BRDAZIKBXYPJSJ-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067329429 472020129 /nfs/dbraw/zinc/02/01/29/472020129.db2.gz UZYZUIORCFFKIV-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccsc1 ZINC000053782377 472034840 /nfs/dbraw/zinc/03/48/40/472034840.db2.gz QLPQKILZLABRCR-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccsc1 ZINC000053782377 472034844 /nfs/dbraw/zinc/03/48/44/472034844.db2.gz QLPQKILZLABRCR-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067744330 472082445 /nfs/dbraw/zinc/08/24/45/472082445.db2.gz KQHOOHHDKOLIBP-UHFFFAOYSA-N 1 2 325.368 2.649 20 5 EFBDLO Cc1c(C(=O)NCC[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000067744436 472082967 /nfs/dbraw/zinc/08/29/67/472082967.db2.gz DBASNCOWKLOKPU-UHFFFAOYSA-N 1 2 325.368 2.649 20 5 EFBDLO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389390 472084065 /nfs/dbraw/zinc/08/40/65/472084065.db2.gz UXFCVIXVOXGZFJ-STQMWFEESA-N 1 2 328.372 2.974 20 5 EFBDLO Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348277 472132877 /nfs/dbraw/zinc/13/28/77/472132877.db2.gz FUPVNGQEALEFOK-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348277 472132881 /nfs/dbraw/zinc/13/28/81/472132881.db2.gz FUPVNGQEALEFOK-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000026481248 472139500 /nfs/dbraw/zinc/13/95/00/472139500.db2.gz XKXSIYLFOOSUPN-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccccn2)CC1 ZINC000075613500 472169975 /nfs/dbraw/zinc/16/99/75/472169975.db2.gz IMKKMWNGDSHJRV-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000075613500 472169978 /nfs/dbraw/zinc/16/99/78/472169978.db2.gz IMKKMWNGDSHJRV-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000027334291 472171583 /nfs/dbraw/zinc/17/15/83/472171583.db2.gz MRWIJQXCPBUUNS-NSHDSACASA-N 1 2 335.385 2.816 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000068372059 472177521 /nfs/dbraw/zinc/17/75/21/472177521.db2.gz GXRXDKLSDIAEED-UHFFFAOYSA-N 1 2 326.356 2.732 20 5 EFBDLO O=C(NCc1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042929410 472183078 /nfs/dbraw/zinc/18/30/78/472183078.db2.gz JPHBATYEPYQZON-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000043148123 472205565 /nfs/dbraw/zinc/20/55/65/472205565.db2.gz USAZRLLDKACGGB-UHFFFAOYSA-N 1 2 344.371 2.846 20 5 EFBDLO Cc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000043148372 472205979 /nfs/dbraw/zinc/20/59/79/472205979.db2.gz GHQGPYFUTIYVRM-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028175239 472215688 /nfs/dbraw/zinc/21/56/88/472215688.db2.gz ZWIGQBHIFBTDMG-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO O=C(C[N@H+]1CCc2sccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028175239 472215694 /nfs/dbraw/zinc/21/56/94/472215694.db2.gz ZWIGQBHIFBTDMG-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000044350175 472300961 /nfs/dbraw/zinc/30/09/61/472300961.db2.gz BXUGGPQIASFDGO-CQSZACIVSA-N 1 2 331.397 2.785 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000044350175 472300967 /nfs/dbraw/zinc/30/09/67/472300967.db2.gz BXUGGPQIASFDGO-CQSZACIVSA-N 1 2 331.397 2.785 20 5 EFBDLO Cc1cc(N)nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000029913754 472304708 /nfs/dbraw/zinc/30/47/08/472304708.db2.gz PLGAWSJMPAUKPA-UHFFFAOYSA-N 1 2 344.356 2.618 20 5 EFBDLO CN(C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000044438758 472307009 /nfs/dbraw/zinc/30/70/09/472307009.db2.gz MTFHJYHTAQSKNH-UHFFFAOYSA-N 1 2 349.337 2.968 20 5 EFBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000044438758 472307015 /nfs/dbraw/zinc/30/70/15/472307015.db2.gz MTFHJYHTAQSKNH-UHFFFAOYSA-N 1 2 349.337 2.968 20 5 EFBDLO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000029955542 472307245 /nfs/dbraw/zinc/30/72/45/472307245.db2.gz ZTQAVDRQCOCWTC-UHFFFAOYSA-N 1 2 330.388 2.580 20 5 EFBDLO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000029955542 472307249 /nfs/dbraw/zinc/30/72/49/472307249.db2.gz ZTQAVDRQCOCWTC-UHFFFAOYSA-N 1 2 330.388 2.580 20 5 EFBDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056396897 472316345 /nfs/dbraw/zinc/31/63/45/472316345.db2.gz RRESFFGEORYXQC-GFCCVEGCSA-N 1 2 343.387 2.616 20 5 EFBDLO Cc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000030299742 472325650 /nfs/dbraw/zinc/32/56/50/472325650.db2.gz FJDMELATFJSYFJ-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1cccn2cc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000087325074 472325629 /nfs/dbraw/zinc/32/56/29/472325629.db2.gz BFLSTYGCLKZSSA-UHFFFAOYSA-N 1 2 338.367 2.800 20 5 EFBDLO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000076347773 472328066 /nfs/dbraw/zinc/32/80/66/472328066.db2.gz VYQKLBODBJJXSC-PWSUYJOCSA-N 1 2 341.795 2.686 20 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ZINC000076407789 472341169 /nfs/dbraw/zinc/34/11/69/472341169.db2.gz UQQYCGNOEJMKGK-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO O=[N+]([O-])c1cccnc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000069447745 472345546 /nfs/dbraw/zinc/34/55/46/472345546.db2.gz KKGHYNIQNROHHC-ZDUSSCGKSA-N 1 2 334.401 2.537 20 5 EFBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252177 472352323 /nfs/dbraw/zinc/35/23/23/472352323.db2.gz RVUXTRSUZSSRNM-UHFFFAOYSA-N 1 2 348.362 2.979 20 5 EFBDLO CCOc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000088495504 472368483 /nfs/dbraw/zinc/36/84/83/472368483.db2.gz XZRLNCORLZVJRP-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO CC(C)CN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000088607144 472378338 /nfs/dbraw/zinc/37/83/38/472378338.db2.gz OYULDXJHTKQMDA-UHFFFAOYSA-N 1 2 331.416 2.600 20 5 EFBDLO CC(C)CN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000088607144 472378341 /nfs/dbraw/zinc/37/83/41/472378341.db2.gz OYULDXJHTKQMDA-UHFFFAOYSA-N 1 2 331.416 2.600 20 5 EFBDLO O=[N+]([O-])c1c(F)cccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000057137695 472384779 /nfs/dbraw/zinc/38/47/79/472384779.db2.gz YWACXHPKLIVTLS-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+]1CCC(C)CC1 ZINC000031900689 472401689 /nfs/dbraw/zinc/40/16/89/472401689.db2.gz PEZVEGDRPHTXOY-INIZCTEOSA-N 1 2 349.431 2.787 20 5 EFBDLO C[C@H]1CN(c2ccc(Nc3ncccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000076805278 472406991 /nfs/dbraw/zinc/40/69/91/472406991.db2.gz NXJWGFTWRWMJTC-RYUDHWBXSA-N 1 2 329.360 2.742 20 5 EFBDLO CC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)C ZINC000154409204 472428672 /nfs/dbraw/zinc/42/86/72/472428672.db2.gz RYXHZUVFHKARFP-SFHVURJKSA-N 1 2 349.431 2.535 20 5 EFBDLO CC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)C ZINC000154409204 472428680 /nfs/dbraw/zinc/42/86/80/472428680.db2.gz RYXHZUVFHKARFP-SFHVURJKSA-N 1 2 349.431 2.535 20 5 EFBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128314196 472433402 /nfs/dbraw/zinc/43/34/02/472433402.db2.gz VKWNGIIMAKRALN-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128314196 472433411 /nfs/dbraw/zinc/43/34/11/472433411.db2.gz VKWNGIIMAKRALN-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128314403 472434061 /nfs/dbraw/zinc/43/40/61/472434061.db2.gz VKWNGIIMAKRALN-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128314403 472434065 /nfs/dbraw/zinc/43/40/65/472434065.db2.gz VKWNGIIMAKRALN-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000097105799 472448347 /nfs/dbraw/zinc/44/83/47/472448347.db2.gz CJDVJSGOLYCBQX-UHFFFAOYSA-N 1 2 337.339 2.951 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000045778603 472461578 /nfs/dbraw/zinc/46/15/78/472461578.db2.gz RSRODWIMNFBTEK-UHFFFAOYSA-N 1 2 330.344 2.538 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077171067 472463668 /nfs/dbraw/zinc/46/36/68/472463668.db2.gz RIVMICVXQDYWMN-MRXNPFEDSA-N 1 2 340.383 2.649 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077171067 472463672 /nfs/dbraw/zinc/46/36/72/472463672.db2.gz RIVMICVXQDYWMN-MRXNPFEDSA-N 1 2 340.383 2.649 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162465 472469170 /nfs/dbraw/zinc/46/91/70/472469170.db2.gz GBLZGGKRXCXMLQ-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000057756412 472472048 /nfs/dbraw/zinc/47/20/48/472472048.db2.gz RVGDLYLUKYJXHA-UHFFFAOYSA-N 1 2 342.277 2.626 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000154815367 472475469 /nfs/dbraw/zinc/47/54/69/472475469.db2.gz CWLNZSZARZKZEO-UHFFFAOYSA-N 1 2 336.388 2.829 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000118724121 472506206 /nfs/dbraw/zinc/50/62/06/472506206.db2.gz SAGJAIFVRRPHQN-CMDGGOBGSA-N 1 2 326.356 2.621 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000071435466 472551828 /nfs/dbraw/zinc/55/18/28/472551828.db2.gz LZZDPCRGMFRSOR-RMKNXTFCSA-N 1 2 336.351 2.881 20 5 EFBDLO O=c1c([N+](=O)[O-])cccn1Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC000102203338 472566878 /nfs/dbraw/zinc/56/68/78/472566878.db2.gz MGYADUNGESDMHJ-UHFFFAOYSA-N 1 2 339.138 2.759 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000102408815 472576367 /nfs/dbraw/zinc/57/63/67/472576367.db2.gz XXUWOGYLYXZWGM-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000102408815 472576377 /nfs/dbraw/zinc/57/63/77/472576377.db2.gz XXUWOGYLYXZWGM-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO CC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000119806249 472584712 /nfs/dbraw/zinc/58/47/12/472584712.db2.gz LOYAWCGBWBHENX-UHFFFAOYSA-N 1 2 329.356 2.878 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000119806249 472584716 /nfs/dbraw/zinc/58/47/16/472584716.db2.gz LOYAWCGBWBHENX-UHFFFAOYSA-N 1 2 329.356 2.878 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000071899685 472607222 /nfs/dbraw/zinc/60/72/22/472607222.db2.gz NTUYEBKYKBNZKV-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000120095701 472631040 /nfs/dbraw/zinc/63/10/40/472631040.db2.gz GYFNAEAHMNTKRF-LBPRGKRZSA-N 1 2 346.774 2.652 20 5 EFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120143856 472638863 /nfs/dbraw/zinc/63/88/63/472638863.db2.gz PBTHYWMBNHYXOH-CQSZACIVSA-N 1 2 348.334 2.590 20 5 EFBDLO Cc1c(C[NH+]2CCN(c3ncccc3F)CC2)cccc1[N+](=O)[O-] ZINC000090631789 472645048 /nfs/dbraw/zinc/64/50/48/472645048.db2.gz NRWRLWCBTVXXGY-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975044 472646476 /nfs/dbraw/zinc/64/64/76/472646476.db2.gz CMWQRCFEVROSRQ-MRXNPFEDSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975044 472646478 /nfs/dbraw/zinc/64/64/78/472646478.db2.gz CMWQRCFEVROSRQ-MRXNPFEDSA-N 1 2 326.356 2.593 20 5 EFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000047273912 472682712 /nfs/dbraw/zinc/68/27/12/472682712.db2.gz BCACEYWIUUCKSW-OAHLLOKOSA-N 1 2 344.371 2.975 20 5 EFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000047273912 472682720 /nfs/dbraw/zinc/68/27/20/472682720.db2.gz BCACEYWIUUCKSW-OAHLLOKOSA-N 1 2 344.371 2.975 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000072632168 472690256 /nfs/dbraw/zinc/69/02/56/472690256.db2.gz NTOQFQOHKYASIZ-ZWNOBZJWSA-N 1 2 345.321 2.751 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000072632168 472690258 /nfs/dbraw/zinc/69/02/58/472690258.db2.gz NTOQFQOHKYASIZ-ZWNOBZJWSA-N 1 2 345.321 2.751 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120597708 472716505 /nfs/dbraw/zinc/71/65/05/472716505.db2.gz KXJQKNQGUWDAHZ-UHFFFAOYSA-N 1 2 337.767 2.999 20 5 EFBDLO CC1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)CC1 ZINC000061900375 472724671 /nfs/dbraw/zinc/72/46/71/472724671.db2.gz ZHERIBRUZCTBHZ-UHFFFAOYSA-N 1 2 344.371 2.749 20 5 EFBDLO Cc1cnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078629135 472745210 /nfs/dbraw/zinc/74/52/10/472745210.db2.gz NTJHDQMCXKQCLK-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cccnc1 ZINC000156877674 472762411 /nfs/dbraw/zinc/76/24/11/472762411.db2.gz SOQRGBFXSWMPPM-UHFFFAOYSA-N 1 2 345.399 2.772 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cccnc1 ZINC000156877674 472762417 /nfs/dbraw/zinc/76/24/17/472762417.db2.gz SOQRGBFXSWMPPM-UHFFFAOYSA-N 1 2 345.399 2.772 20 5 EFBDLO CCNc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000078879778 472782911 /nfs/dbraw/zinc/78/29/11/472782911.db2.gz VXJXGZJPKQVBCN-UHFFFAOYSA-N 1 2 329.360 2.740 20 5 EFBDLO Cc1cccn2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000091627660 472786649 /nfs/dbraw/zinc/78/66/49/472786649.db2.gz MWMMTCJMWFXXMD-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000048045255 472801728 /nfs/dbraw/zinc/80/17/28/472801728.db2.gz WWAOUWYASRCPOI-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000048045255 472801732 /nfs/dbraw/zinc/80/17/32/472801732.db2.gz WWAOUWYASRCPOI-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000048287955 472850390 /nfs/dbraw/zinc/85/03/90/472850390.db2.gz FCYLMZNAXXRYSX-HNNXBMFYSA-N 1 2 344.371 2.691 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000048287955 472850392 /nfs/dbraw/zinc/85/03/92/472850392.db2.gz FCYLMZNAXXRYSX-HNNXBMFYSA-N 1 2 344.371 2.691 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066107 472850622 /nfs/dbraw/zinc/85/06/22/472850622.db2.gz KQGQXHVFKDWONE-CXAGYDPISA-N 1 2 331.416 2.749 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066107 472850628 /nfs/dbraw/zinc/85/06/28/472850628.db2.gz KQGQXHVFKDWONE-CXAGYDPISA-N 1 2 331.416 2.749 20 5 EFBDLO COC(=O)c1ccc(OCc2c(C)[nH+]c3ccccn32)c([N+](=O)[O-])c1 ZINC000133887366 472851594 /nfs/dbraw/zinc/85/15/94/472851594.db2.gz OQJULJXWHPTYTC-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000121454728 472854858 /nfs/dbraw/zinc/85/48/58/472854858.db2.gz MDIOPAUYDNGBII-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000121454728 472854866 /nfs/dbraw/zinc/85/48/66/472854866.db2.gz MDIOPAUYDNGBII-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572397 472873324 /nfs/dbraw/zinc/87/33/24/472873324.db2.gz GNRIRQNRPPFFPV-CVEARBPZSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572397 472873329 /nfs/dbraw/zinc/87/33/29/472873329.db2.gz GNRIRQNRPPFFPV-CVEARBPZSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000065208903 472907268 /nfs/dbraw/zinc/90/72/68/472907268.db2.gz BELNNLCLERLPLT-UHFFFAOYSA-N 1 2 347.440 2.853 20 5 EFBDLO Cc1cccn2cc(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000121785328 472914656 /nfs/dbraw/zinc/91/46/56/472914656.db2.gz DUYFHZZBJASIQK-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065420927 472939010 /nfs/dbraw/zinc/93/90/10/472939010.db2.gz LCDYVYAHLDKVCZ-LBPRGKRZSA-N 1 2 335.404 2.541 20 5 EFBDLO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065420927 472939019 /nfs/dbraw/zinc/93/90/19/472939019.db2.gz LCDYVYAHLDKVCZ-LBPRGKRZSA-N 1 2 335.404 2.541 20 5 EFBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)cc1OC(F)F ZINC000092584536 472940242 /nfs/dbraw/zinc/94/02/42/472940242.db2.gz ANWLWPIUMUJNON-UHFFFAOYSA-N 1 2 334.344 2.621 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)c[nH+]1 ZINC000080083516 472973139 /nfs/dbraw/zinc/97/31/39/472973139.db2.gz CKOITMLUVFMYRN-UHFFFAOYSA-N 1 2 334.401 2.828 20 5 EFBDLO CC(C)(NC(=O)NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000080097426 472975494 /nfs/dbraw/zinc/97/54/94/472975494.db2.gz NNAIMUVXVQAXSZ-UHFFFAOYSA-N 1 2 345.403 2.806 20 5 EFBDLO CCc1nn(C)c(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000092829215 472995503 /nfs/dbraw/zinc/99/55/03/472995503.db2.gz NTTKYEAXZCUCAQ-UHFFFAOYSA-N 1 2 328.376 2.812 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cn2ccccc2[nH+]1 ZINC000065836034 473016503 /nfs/dbraw/zinc/01/65/03/473016503.db2.gz RLIHJQHOCZCGJP-UHFFFAOYSA-N 1 2 349.350 2.514 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)oc1C ZINC000093055962 473036807 /nfs/dbraw/zinc/03/68/07/473036807.db2.gz NTOMGUFKCOYXOM-UHFFFAOYSA-N 1 2 344.415 2.826 20 5 EFBDLO Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000080552871 473046720 /nfs/dbraw/zinc/04/67/20/473046720.db2.gz UKACWXPGQOTIOY-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COCc2ccco2)cc1 ZINC000051451848 473049773 /nfs/dbraw/zinc/04/97/73/473049773.db2.gz PZVXYWCDPGIZMG-HNNXBMFYSA-N 1 2 343.339 2.629 20 5 EFBDLO CC[C@@]1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135618094 473099962 /nfs/dbraw/zinc/09/99/62/473099962.db2.gz KGNCYWKJPCIBCO-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@@]1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135618094 473099969 /nfs/dbraw/zinc/09/99/69/473099969.db2.gz KGNCYWKJPCIBCO-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135673383 473105239 /nfs/dbraw/zinc/10/52/39/473105239.db2.gz AMONAIBEXMFIOF-GUYCJALGSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135673383 473105245 /nfs/dbraw/zinc/10/52/45/473105245.db2.gz AMONAIBEXMFIOF-GUYCJALGSA-N 1 2 335.404 2.731 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093528676 473115705 /nfs/dbraw/zinc/11/57/05/473115705.db2.gz RXGSZXGNLXGSPL-CQSZACIVSA-N 1 2 332.356 2.702 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093528676 473115711 /nfs/dbraw/zinc/11/57/11/473115711.db2.gz RXGSZXGNLXGSPL-CQSZACIVSA-N 1 2 332.356 2.702 20 5 EFBDLO CCc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000052589896 473130425 /nfs/dbraw/zinc/13/04/25/473130425.db2.gz FBHVLQIBBCEEJD-UHFFFAOYSA-N 1 2 347.440 2.967 20 5 EFBDLO CCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000052589896 473130428 /nfs/dbraw/zinc/13/04/28/473130428.db2.gz FBHVLQIBBCEEJD-UHFFFAOYSA-N 1 2 347.440 2.967 20 5 EFBDLO O=[N+]([O-])c1ccccc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000081017878 473131389 /nfs/dbraw/zinc/13/13/89/473131389.db2.gz FITGFAPPXNPOJR-UHFFFAOYSA-N 1 2 341.411 2.934 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000052835588 473153485 /nfs/dbraw/zinc/15/34/85/473153485.db2.gz DKDCPSRDDCITPH-QGZVFWFLSA-N 1 2 343.358 2.797 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000052835588 473153489 /nfs/dbraw/zinc/15/34/89/473153489.db2.gz DKDCPSRDDCITPH-QGZVFWFLSA-N 1 2 343.358 2.797 20 5 EFBDLO Cc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000093882893 473156970 /nfs/dbraw/zinc/15/69/70/473156970.db2.gz RSTCREVACZWSFZ-GFCCVEGCSA-N 1 2 331.338 2.972 20 5 EFBDLO O=C(C1CCCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000066866900 473166831 /nfs/dbraw/zinc/16/68/31/473166831.db2.gz OITMYEZZAPJMCE-UHFFFAOYSA-N 1 2 331.416 2.819 20 5 EFBDLO Cc1occc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000066890250 473169660 /nfs/dbraw/zinc/16/96/60/473169660.db2.gz NCFARFKKDINRAG-UHFFFAOYSA-N 1 2 349.412 2.952 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000160752445 473171667 /nfs/dbraw/zinc/17/16/67/473171667.db2.gz CVMRJYKQRNDNFU-ZDUSSCGKSA-N 1 2 343.387 2.554 20 5 EFBDLO CCCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000160765986 473172801 /nfs/dbraw/zinc/17/28/01/473172801.db2.gz MKLIIYMRWWPBCS-HNNXBMFYSA-N 1 2 340.445 2.692 20 5 EFBDLO CCCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000160765986 473172808 /nfs/dbraw/zinc/17/28/08/473172808.db2.gz MKLIIYMRWWPBCS-HNNXBMFYSA-N 1 2 340.445 2.692 20 5 EFBDLO CCc1nn(C)c(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000094134595 473179403 /nfs/dbraw/zinc/17/94/03/473179403.db2.gz PSUXKOJSMPLVSV-UHFFFAOYSA-N 1 2 340.387 2.748 20 5 EFBDLO CCc1nn(C)c(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000094160320 473183103 /nfs/dbraw/zinc/18/31/03/473183103.db2.gz TXOIUOPQUYMSSB-UHFFFAOYSA-N 1 2 326.360 2.689 20 5 EFBDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000053144462 473186969 /nfs/dbraw/zinc/18/69/69/473186969.db2.gz YGQJKNHPMHJYSQ-HNNXBMFYSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000053144462 473186974 /nfs/dbraw/zinc/18/69/74/473186974.db2.gz YGQJKNHPMHJYSQ-HNNXBMFYSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000053144381 473187295 /nfs/dbraw/zinc/18/72/95/473187295.db2.gz SLDQWZLRLWGREO-OAHLLOKOSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000053144381 473187299 /nfs/dbraw/zinc/18/72/99/473187299.db2.gz SLDQWZLRLWGREO-OAHLLOKOSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000185325008 473395565 /nfs/dbraw/zinc/39/55/65/473395565.db2.gz LWMQJRQFEOGTLU-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000171501905 473400128 /nfs/dbraw/zinc/40/01/28/473400128.db2.gz KSBPKPJHNWCXGF-UHFFFAOYSA-N 1 2 337.339 2.842 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125543702 473426717 /nfs/dbraw/zinc/42/67/17/473426717.db2.gz YXCMDMKZWFYZQH-UHFFFAOYSA-N 1 2 342.277 2.619 20 5 EFBDLO COCCc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000171634000 473426898 /nfs/dbraw/zinc/42/68/98/473426898.db2.gz UXKAMRDUHAUOCU-UHFFFAOYSA-N 1 2 334.376 2.577 20 5 EFBDLO COCCc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000171634000 473426903 /nfs/dbraw/zinc/42/69/03/473426903.db2.gz UXKAMRDUHAUOCU-UHFFFAOYSA-N 1 2 334.376 2.577 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000125613495 473434012 /nfs/dbraw/zinc/43/40/12/473434012.db2.gz KQDMRIZNPWUWIW-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000125613495 473434017 /nfs/dbraw/zinc/43/40/17/473434017.db2.gz KQDMRIZNPWUWIW-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000125843942 473463739 /nfs/dbraw/zinc/46/37/39/473463739.db2.gz ZYNSXPSFNJSANF-SWLSCSKDSA-N 1 2 328.372 2.823 20 5 EFBDLO COCC[N@H+](Cc1cccnc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191119263 473483006 /nfs/dbraw/zinc/48/30/06/473483006.db2.gz ZZZDDGCDQDRJMP-UHFFFAOYSA-N 1 2 349.362 2.786 20 5 EFBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191119263 473483013 /nfs/dbraw/zinc/48/30/13/473483013.db2.gz ZZZDDGCDQDRJMP-UHFFFAOYSA-N 1 2 349.362 2.786 20 5 EFBDLO C[NH+](C)CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000185681457 473487512 /nfs/dbraw/zinc/48/75/12/473487512.db2.gz XPQJAILTLMQXHW-UHFFFAOYSA-N 1 2 329.356 2.509 20 5 EFBDLO Cc1c(Br)c(N[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000165742695 473515087 /nfs/dbraw/zinc/51/50/87/473515087.db2.gz QRFDDQFDCZKBOD-MRVPVSSYSA-N 1 2 340.181 2.758 20 5 EFBDLO C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126496602 473521544 /nfs/dbraw/zinc/52/15/44/473521544.db2.gz OZUIATVTNQGROG-PRDNVKDRSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126495901 473521758 /nfs/dbraw/zinc/52/17/58/473521758.db2.gz OZUIATVTNQGROG-PALPZSCYSA-N 1 2 340.383 2.914 20 5 EFBDLO Cn1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000172115312 473526639 /nfs/dbraw/zinc/52/66/39/473526639.db2.gz NPOZSEZQIAIFJC-UHFFFAOYSA-N 1 2 329.385 2.742 20 5 EFBDLO COCCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000185849490 473530147 /nfs/dbraw/zinc/53/01/47/473530147.db2.gz RIOPPEVKKXKKFR-UHFFFAOYSA-N 1 2 346.387 2.573 20 5 EFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000126624286 473530688 /nfs/dbraw/zinc/53/06/88/473530688.db2.gz PJXZTMUMVHGDLE-QGZVFWFLSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000126624286 473530692 /nfs/dbraw/zinc/53/06/92/473530692.db2.gz PJXZTMUMVHGDLE-QGZVFWFLSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)cn21 ZINC000178701303 473545463 /nfs/dbraw/zinc/54/54/63/473545463.db2.gz QMLLLCISBNASOD-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO Cc1ccnc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000115515586 473577260 /nfs/dbraw/zinc/57/72/60/473577260.db2.gz GQMPCRQYWFCPIT-CYBMUJFWSA-N 1 2 348.428 2.845 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCO[C@H](C)C1 ZINC000170772371 473610223 /nfs/dbraw/zinc/61/02/23/473610223.db2.gz HGHUTBRBUFEJJK-MNOVXSKESA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCO[C@H](C)C1 ZINC000170772371 473610228 /nfs/dbraw/zinc/61/02/28/473610228.db2.gz HGHUTBRBUFEJJK-MNOVXSKESA-N 1 2 341.795 2.686 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000170908731 473644073 /nfs/dbraw/zinc/64/40/73/473644073.db2.gz GWELMNCZHQIBGK-MRXNPFEDSA-N 1 2 347.415 2.625 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000170908731 473644078 /nfs/dbraw/zinc/64/40/78/473644078.db2.gz GWELMNCZHQIBGK-MRXNPFEDSA-N 1 2 347.415 2.625 20 5 EFBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926241 473650911 /nfs/dbraw/zinc/65/09/11/473650911.db2.gz VOYQUSOMOKXVKE-ZJUUUORDSA-N 1 2 334.825 2.502 20 5 EFBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926241 473650917 /nfs/dbraw/zinc/65/09/17/473650917.db2.gz VOYQUSOMOKXVKE-ZJUUUORDSA-N 1 2 334.825 2.502 20 5 EFBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330990 473651654 /nfs/dbraw/zinc/65/16/54/473651654.db2.gz FMCMLHVPYFDGBT-OAHLLOKOSA-N 1 2 338.404 2.682 20 5 EFBDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330990 473651660 /nfs/dbraw/zinc/65/16/60/473651660.db2.gz FMCMLHVPYFDGBT-OAHLLOKOSA-N 1 2 338.404 2.682 20 5 EFBDLO CCCn1ccnc1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000192252136 473656542 /nfs/dbraw/zinc/65/65/42/473656542.db2.gz ISBGCTLYWBVCFP-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000192252136 473656546 /nfs/dbraw/zinc/65/65/46/473656546.db2.gz ISBGCTLYWBVCFP-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO COCCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179333215 473675209 /nfs/dbraw/zinc/67/52/09/473675209.db2.gz TYGIOUIRZFSZCQ-AWEZNQCLSA-N 1 2 328.796 2.876 20 5 EFBDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179333215 473675211 /nfs/dbraw/zinc/67/52/11/473675211.db2.gz TYGIOUIRZFSZCQ-AWEZNQCLSA-N 1 2 328.796 2.876 20 5 EFBDLO CCCCc1[nH]c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2[nH+]1 ZINC000179591264 473697362 /nfs/dbraw/zinc/69/73/62/473697362.db2.gz CKUBHMFOCQRSGG-UHFFFAOYSA-N 1 2 342.359 2.800 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634922 473698582 /nfs/dbraw/zinc/69/85/82/473698582.db2.gz RHPLXJPDWTWNOQ-RBSFLKMASA-N 1 2 333.432 2.920 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634922 473698585 /nfs/dbraw/zinc/69/85/85/473698585.db2.gz RHPLXJPDWTWNOQ-RBSFLKMASA-N 1 2 333.432 2.920 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000192648320 473699310 /nfs/dbraw/zinc/69/93/10/473699310.db2.gz CEBJDFWERZLAOR-UHFFFAOYSA-N 1 2 332.339 2.790 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH+]cn1C ZINC000192868504 473739368 /nfs/dbraw/zinc/73/93/68/473739368.db2.gz ILORMJFXQYHXJY-UHFFFAOYSA-N 1 2 330.388 2.698 20 5 EFBDLO COc1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179912351 473754503 /nfs/dbraw/zinc/75/45/03/473754503.db2.gz YYGGHERUAGGNOY-UHFFFAOYSA-N 1 2 348.371 2.796 20 5 EFBDLO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269331222 473776578 /nfs/dbraw/zinc/77/65/78/473776578.db2.gz IEVOIOHVGIZBTG-FZMZJTMJSA-N 1 2 348.428 2.885 20 5 EFBDLO Cc1nc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314390 473780276 /nfs/dbraw/zinc/78/02/76/473780276.db2.gz ROIUEAXFIIEBEG-GFCCVEGCSA-N 1 2 333.417 2.638 20 5 EFBDLO CCc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000173252486 473781080 /nfs/dbraw/zinc/78/10/80/473781080.db2.gz PVULVSPERZZUPI-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000193343803 473782271 /nfs/dbraw/zinc/78/22/71/473782271.db2.gz UREFWVVVGVZMDU-HNNXBMFYSA-N 1 2 328.372 2.975 20 5 EFBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576006 473783059 /nfs/dbraw/zinc/78/30/59/473783059.db2.gz PVLAEWDVGSVLDZ-CQSZACIVSA-N 1 2 349.431 2.835 20 5 EFBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576006 473783066 /nfs/dbraw/zinc/78/30/66/473783066.db2.gz PVLAEWDVGSVLDZ-CQSZACIVSA-N 1 2 349.431 2.835 20 5 EFBDLO O=C(NC[C@H]1Cc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194053145 473833116 /nfs/dbraw/zinc/83/31/16/473833116.db2.gz JGYNDOYUABVYKC-OAHLLOKOSA-N 1 2 348.362 2.850 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3noc4c3CCCC4)C2)nc1 ZINC000173472912 473848058 /nfs/dbraw/zinc/84/80/58/473848058.db2.gz NSUJMQFUZIIQJU-LBPRGKRZSA-N 1 2 343.387 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)C2)nc1 ZINC000173472912 473848064 /nfs/dbraw/zinc/84/80/64/473848064.db2.gz NSUJMQFUZIIQJU-LBPRGKRZSA-N 1 2 343.387 2.543 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCn3cccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000173480990 473850619 /nfs/dbraw/zinc/85/06/19/473850619.db2.gz NBGMFSQGEFFAMS-CYBMUJFWSA-N 1 2 331.372 2.861 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCn3cccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000173480990 473850625 /nfs/dbraw/zinc/85/06/25/473850625.db2.gz NBGMFSQGEFFAMS-CYBMUJFWSA-N 1 2 331.372 2.861 20 5 EFBDLO CC(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCN(C)CC1 ZINC000269653050 473853113 /nfs/dbraw/zinc/85/31/13/473853113.db2.gz QYPRVXNAPCXYEA-OAHLLOKOSA-N 1 2 342.390 2.557 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000269657026 473853122 /nfs/dbraw/zinc/85/31/22/473853122.db2.gz OXQKAZOVFHMYPB-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000269657026 473853126 /nfs/dbraw/zinc/85/31/26/473853126.db2.gz OXQKAZOVFHMYPB-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194174900 473855596 /nfs/dbraw/zinc/85/55/96/473855596.db2.gz WGPOROBTZYIIGU-CYBMUJFWSA-N 1 2 331.416 2.816 20 5 EFBDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194174900 473855607 /nfs/dbraw/zinc/85/56/07/473855607.db2.gz WGPOROBTZYIIGU-CYBMUJFWSA-N 1 2 331.416 2.816 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000269677539 473856595 /nfs/dbraw/zinc/85/65/95/473856595.db2.gz WWYABSBVJLLTBL-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000269677539 473856602 /nfs/dbraw/zinc/85/66/02/473856602.db2.gz WWYABSBVJLLTBL-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)c1 ZINC000269677227 473857240 /nfs/dbraw/zinc/85/72/40/473857240.db2.gz PYFRIJKPYNXDEV-KRWDZBQOSA-N 1 2 341.367 2.603 20 5 EFBDLO CC[C@@H](CSC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180575307 473910122 /nfs/dbraw/zinc/91/01/22/473910122.db2.gz LBKCKAJIXTWLLK-LBPRGKRZSA-N 1 2 334.401 2.652 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000282079746 473939362 /nfs/dbraw/zinc/93/93/62/473939362.db2.gz XMWRRLKEEZCYPH-UHFFFAOYSA-N 1 2 345.359 2.622 20 5 EFBDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173964638 473965053 /nfs/dbraw/zinc/96/50/53/473965053.db2.gz JOVBHUURFSLQHU-OLZOCXBDSA-N 1 2 338.371 2.982 20 5 EFBDLO CSc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000188102214 473982073 /nfs/dbraw/zinc/98/20/73/473982073.db2.gz OUGVDHNVBNDSFD-UHFFFAOYSA-N 1 2 346.412 2.991 20 5 EFBDLO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000275067074 474058912 /nfs/dbraw/zinc/05/89/12/474058912.db2.gz STMUAFBFYBILQS-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000275067074 474058921 /nfs/dbraw/zinc/05/89/21/474058921.db2.gz STMUAFBFYBILQS-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CCN(CC(C)(C)O)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270292361 474060784 /nfs/dbraw/zinc/06/07/84/474060784.db2.gz ZVPZYVCACBKLIU-UHFFFAOYSA-N 1 2 330.388 2.957 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000174836274 474104913 /nfs/dbraw/zinc/10/49/13/474104913.db2.gz JKZKHPWYRHPPSG-CQSZACIVSA-N 1 2 329.385 2.627 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(F)c1 ZINC000198837852 474120125 /nfs/dbraw/zinc/12/01/25/474120125.db2.gz PKHQZQGEIOZGAL-CQSZACIVSA-N 1 2 344.302 2.580 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Cl)n2)cc1[N+](=O)[O-] ZINC000289253289 474197653 /nfs/dbraw/zinc/19/76/53/474197653.db2.gz BONRHYCMOQQUDY-BDAKNGLRSA-N 1 2 336.783 2.736 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOCC34CCCC4)n2)c1 ZINC000270631280 474197954 /nfs/dbraw/zinc/19/79/54/474197954.db2.gz LOUWAHXPQODLIB-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOCC34CCCC4)n2)c1 ZINC000270631280 474197964 /nfs/dbraw/zinc/19/79/64/474197964.db2.gz LOUWAHXPQODLIB-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO Cc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000247909740 474224214 /nfs/dbraw/zinc/22/42/14/474224214.db2.gz LBHDKVXIRMCZMC-MRXNPFEDSA-N 1 2 331.372 2.982 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000230270626 474259771 /nfs/dbraw/zinc/25/97/71/474259771.db2.gz ARRKDANZTFJHFF-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000230270626 474259775 /nfs/dbraw/zinc/25/97/75/474259775.db2.gz ARRKDANZTFJHFF-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899419 474282980 /nfs/dbraw/zinc/28/29/80/474282980.db2.gz TUPVODPZAYDVDB-STQMWFEESA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899419 474282983 /nfs/dbraw/zinc/28/29/83/474282983.db2.gz TUPVODPZAYDVDB-STQMWFEESA-N 1 2 347.415 2.683 20 5 EFBDLO C[S@](=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000183089528 474324250 /nfs/dbraw/zinc/32/42/50/474324250.db2.gz BOIFZARYXAPVCP-WNSKOXEYSA-N 1 2 336.388 2.943 20 5 EFBDLO COc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1C ZINC000283164874 474325383 /nfs/dbraw/zinc/32/53/83/474325383.db2.gz ZOHAXQUREGLQKN-CQSZACIVSA-N 1 2 332.360 2.762 20 5 EFBDLO C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000265774212 474332366 /nfs/dbraw/zinc/33/23/66/474332366.db2.gz FLTMAJHBDJXCLK-CHWSQXEVSA-N 1 2 348.428 2.724 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289640196 474356748 /nfs/dbraw/zinc/35/67/48/474356748.db2.gz CZIKEIARHBJIGV-SNVBAGLBSA-N 1 2 343.330 2.519 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289640196 474356758 /nfs/dbraw/zinc/35/67/58/474356758.db2.gz CZIKEIARHBJIGV-SNVBAGLBSA-N 1 2 343.330 2.519 20 5 EFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676711 474374724 /nfs/dbraw/zinc/37/47/24/474374724.db2.gz VBMHHFWHMBGCCB-DOTOQJQBSA-N 1 2 345.399 2.567 20 5 EFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676711 474374732 /nfs/dbraw/zinc/37/47/32/474374732.db2.gz VBMHHFWHMBGCCB-DOTOQJQBSA-N 1 2 345.399 2.567 20 5 EFBDLO 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CCc1cc(N[C@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340790461 474670219 /nfs/dbraw/zinc/67/02/19/474670219.db2.gz XRVVQIHQQBLNAU-VXGBXAGGSA-N 1 2 330.388 2.607 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000292899244 474704280 /nfs/dbraw/zinc/70/42/80/474704280.db2.gz BTUJDWPHUWOGHH-NEPJUHHUSA-N 1 2 325.796 2.548 20 5 EFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000292912002 474710665 /nfs/dbraw/zinc/71/06/65/474710665.db2.gz CMCRJBOOBJQXAP-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO CC[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267948659 474720297 /nfs/dbraw/zinc/72/02/97/474720297.db2.gz WATSCHUIZGJONQ-UHFFFAOYSA-N 1 2 329.356 2.878 20 5 EFBDLO CC[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267948659 474720301 /nfs/dbraw/zinc/72/03/01/474720301.db2.gz WATSCHUIZGJONQ-UHFFFAOYSA-N 1 2 329.356 2.878 20 5 EFBDLO CCOC(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278620084 474740205 /nfs/dbraw/zinc/74/02/05/474740205.db2.gz HDIPNOBGDSTGIA-UHFFFAOYSA-N 1 2 344.327 2.531 20 5 EFBDLO CO[C@@H](C)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284730947 474741606 /nfs/dbraw/zinc/74/16/06/474741606.db2.gz KJFZOPQZDNGKRB-VIFPVBQESA-N 1 2 329.194 2.750 20 5 EFBDLO CO[C@@H](C)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284730947 474741609 /nfs/dbraw/zinc/74/16/09/474741609.db2.gz KJFZOPQZDNGKRB-VIFPVBQESA-N 1 2 329.194 2.750 20 5 EFBDLO CCCCCC(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338943433 474758775 /nfs/dbraw/zinc/75/87/75/474758775.db2.gz ZUKRSZQXRFTZRS-UHFFFAOYSA-N 1 2 349.431 2.961 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000284782582 474769709 /nfs/dbraw/zinc/76/97/09/474769709.db2.gz YHDXUFJEKQNNKC-NUEKZKHPSA-N 1 2 340.807 2.610 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000284782582 474769719 /nfs/dbraw/zinc/76/97/19/474769719.db2.gz YHDXUFJEKQNNKC-NUEKZKHPSA-N 1 2 340.807 2.610 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000254958322 474778904 /nfs/dbraw/zinc/77/89/04/474778904.db2.gz UARVEPVZYRHDJW-KTKRTIGZSA-N 1 2 326.356 2.621 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000339001726 474822399 /nfs/dbraw/zinc/82/23/99/474822399.db2.gz QNXUJSBLLDEPLQ-KBPBESRZSA-N 1 2 332.429 2.901 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000339001728 474823594 /nfs/dbraw/zinc/82/35/94/474823594.db2.gz QNXUJSBLLDEPLQ-UONOGXRCSA-N 1 2 332.429 2.901 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163845 474847010 /nfs/dbraw/zinc/84/70/10/474847010.db2.gz COKBSBROJVBACR-KBPBESRZSA-N 1 2 340.445 2.721 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163845 474847016 /nfs/dbraw/zinc/84/70/16/474847016.db2.gz COKBSBROJVBACR-KBPBESRZSA-N 1 2 340.445 2.721 20 5 EFBDLO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000292206391 474903837 /nfs/dbraw/zinc/90/38/37/474903837.db2.gz MCCKNYOUBNXFOR-OLZOCXBDSA-N 1 2 348.321 2.670 20 5 EFBDLO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000292206391 474903846 /nfs/dbraw/zinc/90/38/46/474903846.db2.gz MCCKNYOUBNXFOR-OLZOCXBDSA-N 1 2 348.321 2.670 20 5 EFBDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000273456897 474907629 /nfs/dbraw/zinc/90/76/29/474907629.db2.gz ZAHCPZIEKSWPIB-MWTRTKDXSA-N 1 2 336.388 2.943 20 5 EFBDLO CC(C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000320250455 474910327 /nfs/dbraw/zinc/91/03/27/474910327.db2.gz IBZJQAIVVTUPPF-OAHLLOKOSA-N 1 2 340.855 2.932 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)Cc1ccccc1 ZINC000293320118 474924550 /nfs/dbraw/zinc/92/45/50/474924550.db2.gz LZURKKDRTIFNLR-CQSZACIVSA-N 1 2 336.338 2.908 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)Cc1ccccc1 ZINC000293320118 474924560 /nfs/dbraw/zinc/92/45/60/474924560.db2.gz LZURKKDRTIFNLR-CQSZACIVSA-N 1 2 336.338 2.908 20 5 EFBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130433 474959162 /nfs/dbraw/zinc/95/91/62/474959162.db2.gz VIQXMIGKNCHKBG-KRWDZBQOSA-N 1 2 336.388 2.998 20 5 EFBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130433 474959171 /nfs/dbraw/zinc/95/91/71/474959171.db2.gz VIQXMIGKNCHKBG-KRWDZBQOSA-N 1 2 336.388 2.998 20 5 EFBDLO NC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000292328292 474963914 /nfs/dbraw/zinc/96/39/14/474963914.db2.gz WDVGSMZHXZTOSS-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000292328292 474963922 /nfs/dbraw/zinc/96/39/22/474963922.db2.gz WDVGSMZHXZTOSS-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1OC(F)F ZINC000341112011 474986185 /nfs/dbraw/zinc/98/61/85/474986185.db2.gz 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ZINC000293527654 475024849 /nfs/dbraw/zinc/02/48/49/475024849.db2.gz BNLWCPDVAZXHLP-UHFFFAOYSA-N 1 2 335.360 2.794 20 5 EFBDLO CCc1nocc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293527654 475024858 /nfs/dbraw/zinc/02/48/58/475024858.db2.gz BNLWCPDVAZXHLP-UHFFFAOYSA-N 1 2 335.360 2.794 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC3(C2)CCCCC3)cc1 ZINC000273719268 475025721 /nfs/dbraw/zinc/02/57/21/475025721.db2.gz RIJSKJOPNWKFRD-UHFFFAOYSA-N 1 2 338.429 2.635 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000292498148 475057835 /nfs/dbraw/zinc/05/78/35/475057835.db2.gz NHNCPWJQIHURQF-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534063 475102420 /nfs/dbraw/zinc/10/24/20/475102420.db2.gz WUERDPFJZNAGQF-STQMWFEESA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534063 475102426 /nfs/dbraw/zinc/10/24/26/475102426.db2.gz WUERDPFJZNAGQF-STQMWFEESA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534061 475103207 /nfs/dbraw/zinc/10/32/07/475103207.db2.gz WUERDPFJZNAGQF-OLZOCXBDSA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534061 475103217 /nfs/dbraw/zinc/10/32/17/475103217.db2.gz WUERDPFJZNAGQF-OLZOCXBDSA-N 1 2 326.418 2.555 20 5 EFBDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000337554392 475121876 /nfs/dbraw/zinc/12/18/76/475121876.db2.gz VBHIEKTYZSMPOA-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000337554392 475121880 /nfs/dbraw/zinc/12/18/80/475121880.db2.gz VBHIEKTYZSMPOA-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO CCc1cccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000337571518 475138674 /nfs/dbraw/zinc/13/86/74/475138674.db2.gz CAROIFSLJFNXRL-UHFFFAOYSA-N 1 2 337.339 2.990 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000295960384 475144954 /nfs/dbraw/zinc/14/49/54/475144954.db2.gz IFEUUBRIOCKIMF-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354993 480152367 /nfs/dbraw/zinc/15/23/67/480152367.db2.gz WTJOKRRIQFQXKQ-UHFFFAOYSA-N 1 2 339.307 2.639 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000341684970 475222432 /nfs/dbraw/zinc/22/24/32/475222432.db2.gz CBBZBOGQAUZPHA-ZDUSSCGKSA-N 1 2 334.763 2.863 20 5 EFBDLO CCc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341688689 475224328 /nfs/dbraw/zinc/22/43/28/475224328.db2.gz JRKVLDWSZZISLV-OAHLLOKOSA-N 1 2 328.372 2.772 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000339477498 475244774 /nfs/dbraw/zinc/24/47/74/475244774.db2.gz XHVNAZAGSDPTJQ-NSHDSACASA-N 1 2 340.339 2.704 20 5 EFBDLO COC(=O)c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n(C)c1C ZINC000361176801 475246869 /nfs/dbraw/zinc/24/68/69/475246869.db2.gz JLOOVPDWMRFFBK-UHFFFAOYSA-N 1 2 343.383 2.587 20 5 EFBDLO COC(=O)c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n(C)c1C ZINC000361176801 475246880 /nfs/dbraw/zinc/24/68/80/475246880.db2.gz JLOOVPDWMRFFBK-UHFFFAOYSA-N 1 2 343.383 2.587 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000341720824 475249287 /nfs/dbraw/zinc/24/92/87/475249287.db2.gz QNPDERCWJPLNBL-CYBMUJFWSA-N 1 2 334.763 2.863 20 5 EFBDLO Cc1[nH]nc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1[N+](=O)[O-] ZINC000357924982 475266563 /nfs/dbraw/zinc/26/65/63/475266563.db2.gz PGLPZLSPODPFTI-UHFFFAOYSA-N 1 2 326.316 2.577 20 5 EFBDLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000354595425 475277046 /nfs/dbraw/zinc/27/70/46/475277046.db2.gz DRPDLZLUVGGLGA-UHFFFAOYSA-N 1 2 338.367 2.837 20 5 EFBDLO Cc1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000296457986 475325185 /nfs/dbraw/zinc/32/51/85/475325185.db2.gz JCVMQLCIXBNPDH-UHFFFAOYSA-N 1 2 338.371 2.954 20 5 EFBDLO C[C@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358038249 475353827 /nfs/dbraw/zinc/35/38/27/475353827.db2.gz NQHCDRNVKSRROW-STQMWFEESA-N 1 2 328.372 2.947 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C1 ZINC000354797572 475417391 /nfs/dbraw/zinc/41/73/91/475417391.db2.gz AUPSSDTTWILBOL-ZPIQOJFGSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C1 ZINC000354797572 475417400 /nfs/dbraw/zinc/41/74/00/475417400.db2.gz AUPSSDTTWILBOL-ZPIQOJFGSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1[nH]cc[nH+]1 ZINC000296679966 475425570 /nfs/dbraw/zinc/42/55/70/475425570.db2.gz IBPFDCOSRPSHJB-CQSZACIVSA-N 1 2 349.366 2.650 20 5 EFBDLO COc1cc[nH+]c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000354810622 475427966 /nfs/dbraw/zinc/42/79/66/475427966.db2.gz UUNWPDRAFFHPEX-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC(C)c1nnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000331867484 475438923 /nfs/dbraw/zinc/43/89/23/475438923.db2.gz DLJBIILYRWCAFN-UHFFFAOYSA-N 1 2 336.421 2.603 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CCOCC2)n1 ZINC000345793216 475457127 /nfs/dbraw/zinc/45/71/27/475457127.db2.gz PVQIBGBSEZGVMV-MRXNPFEDSA-N 1 2 346.387 2.852 20 5 EFBDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620876 475464076 /nfs/dbraw/zinc/46/40/76/475464076.db2.gz JDVBECDSECSGQN-CQSZACIVSA-N 1 2 349.431 2.823 20 5 EFBDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620876 475464087 /nfs/dbraw/zinc/46/40/87/475464087.db2.gz JDVBECDSECSGQN-CQSZACIVSA-N 1 2 349.431 2.823 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](CC)CN1C(C)=O ZINC000352627567 475470756 /nfs/dbraw/zinc/47/07/56/475470756.db2.gz HQFHQPCMHZZPPA-HUUCEWRRSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](CC)CN1C(C)=O ZINC000352627567 475470765 /nfs/dbraw/zinc/47/07/65/475470765.db2.gz HQFHQPCMHZZPPA-HUUCEWRRSA-N 1 2 337.395 2.955 20 5 EFBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000341981979 475474718 /nfs/dbraw/zinc/47/47/18/475474718.db2.gz CLYYWUUDDNJGBL-LJQANCHMSA-N 1 2 325.412 2.954 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000341981979 475474723 /nfs/dbraw/zinc/47/47/23/475474723.db2.gz CLYYWUUDDNJGBL-LJQANCHMSA-N 1 2 325.412 2.954 20 5 EFBDLO CC(C)(NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000345812833 475474957 /nfs/dbraw/zinc/47/49/57/475474957.db2.gz ZKXOANRJKKTCRK-NSHDSACASA-N 1 2 328.372 2.789 20 5 EFBDLO CC(C)(NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccccc1[N+](=O)[O-] ZINC000345812833 475474966 /nfs/dbraw/zinc/47/49/66/475474966.db2.gz ZKXOANRJKKTCRK-NSHDSACASA-N 1 2 328.372 2.789 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352770756 475606018 /nfs/dbraw/zinc/60/60/18/475606018.db2.gz UQDHCXOTHRAIOU-AWEZNQCLSA-N 1 2 326.312 2.773 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352770757 475606051 /nfs/dbraw/zinc/60/60/51/475606051.db2.gz UQDHCXOTHRAIOU-CQSZACIVSA-N 1 2 326.312 2.773 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346531092 475637617 /nfs/dbraw/zinc/63/76/17/475637617.db2.gz LFSYZYRJVOBFAV-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346531092 475637627 /nfs/dbraw/zinc/63/76/27/475637627.db2.gz LFSYZYRJVOBFAV-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000338228615 475691926 /nfs/dbraw/zinc/69/19/26/475691926.db2.gz JQIAKPMXEHCRHE-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000358512450 475737583 /nfs/dbraw/zinc/73/75/83/475737583.db2.gz OZWCZDMMDAWPOJ-UHFFFAOYSA-N 1 2 330.731 2.644 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353213219 475774368 /nfs/dbraw/zinc/77/43/68/475774368.db2.gz RQFASPCQMXTQCV-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353213219 475774375 /nfs/dbraw/zinc/77/43/75/475774375.db2.gz RQFASPCQMXTQCV-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO CCc1cc(NCCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343137220 475800654 /nfs/dbraw/zinc/80/06/54/475800654.db2.gz CGZYVSAMYORRNR-UHFFFAOYSA-N 1 2 342.399 2.753 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000346729796 475806805 /nfs/dbraw/zinc/80/68/05/475806805.db2.gz FKRPSHXJYHZJGR-ZDUSSCGKSA-N 1 2 338.371 2.730 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncnn1-c1ccccc1 ZINC000338376856 475840891 /nfs/dbraw/zinc/84/08/91/475840891.db2.gz LZROOPPIPUJZKE-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncnn1-c1ccccc1 ZINC000338376856 475840898 /nfs/dbraw/zinc/84/08/98/475840898.db2.gz LZROOPPIPUJZKE-UHFFFAOYSA-N 1 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O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340249089 475888949 /nfs/dbraw/zinc/88/89/49/475888949.db2.gz YANULFLFXZLKSQ-AWEZNQCLSA-N 1 2 329.385 2.696 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355385056 475891133 /nfs/dbraw/zinc/89/11/33/475891133.db2.gz VYYZQXICYFVLAA-QWRGUYRKSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355385056 475891140 /nfs/dbraw/zinc/89/11/40/475891140.db2.gz VYYZQXICYFVLAA-QWRGUYRKSA-N 1 2 326.780 2.879 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353390203 475929215 /nfs/dbraw/zinc/92/92/15/475929215.db2.gz ZCJBFFXXQNFELA-KRWDZBQOSA-N 1 2 344.415 2.967 20 5 EFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000343356010 475979618 /nfs/dbraw/zinc/97/96/18/475979618.db2.gz XVAHIJWLABSWDP-UHFFFAOYSA-N 1 2 341.302 2.626 20 5 EFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cccc[nH+]1 ZINC000298139010 475995737 /nfs/dbraw/zinc/99/57/37/475995737.db2.gz GQWUFQPJEHBZLA-LBPRGKRZSA-N 1 2 346.412 2.699 20 5 EFBDLO CCCCOCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353504458 476026633 /nfs/dbraw/zinc/02/66/33/476026633.db2.gz QZVGKWKCVMBPOP-INIZCTEOSA-N 1 2 332.404 2.824 20 5 EFBDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358921773 476041780 /nfs/dbraw/zinc/04/17/80/476041780.db2.gz JGPOBHXLOSAFOW-UHFFFAOYSA-N 1 2 343.383 2.724 20 5 EFBDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358921773 476041785 /nfs/dbraw/zinc/04/17/85/476041785.db2.gz JGPOBHXLOSAFOW-UHFFFAOYSA-N 1 2 343.383 2.724 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000353526470 476047365 /nfs/dbraw/zinc/04/73/65/476047365.db2.gz ARVRLSZDOZBXAS-LBPRGKRZSA-N 1 2 328.294 2.960 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000298304433 476051082 /nfs/dbraw/zinc/05/10/82/476051082.db2.gz MEFOKZBZFCPXGB-BXUZGUMPSA-N 1 2 332.360 2.817 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000298304433 476051089 /nfs/dbraw/zinc/05/10/89/476051089.db2.gz MEFOKZBZFCPXGB-BXUZGUMPSA-N 1 2 332.360 2.817 20 5 EFBDLO COc1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000362174689 476051851 /nfs/dbraw/zinc/05/18/51/476051851.db2.gz BFOOQYRVENCLOO-AWEZNQCLSA-N 1 2 338.310 2.705 20 5 EFBDLO CCC(CC)[C@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531494 476053388 /nfs/dbraw/zinc/05/33/88/476053388.db2.gz VITWKUHGEHXPHP-SJORKVTESA-N 1 2 346.431 2.804 20 5 EFBDLO Cn1cnnc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000338713207 476128079 /nfs/dbraw/zinc/12/80/79/476128079.db2.gz JCMFREJAOFKSJR-UHFFFAOYSA-N 1 2 347.762 2.927 20 5 EFBDLO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000340596073 476135523 /nfs/dbraw/zinc/13/55/23/476135523.db2.gz QSHYKNNFKMLKSR-ZDUSSCGKSA-N 1 2 330.388 2.521 20 5 EFBDLO COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000362324332 476169974 /nfs/dbraw/zinc/16/99/74/476169974.db2.gz QDFYLMXANGYNIZ-AWEZNQCLSA-N 1 2 347.346 2.791 20 5 EFBDLO COc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000362324332 476169978 /nfs/dbraw/zinc/16/99/78/476169978.db2.gz QDFYLMXANGYNIZ-AWEZNQCLSA-N 1 2 347.346 2.791 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000344237811 476171501 /nfs/dbraw/zinc/17/15/01/476171501.db2.gz OSFPTGBQHIYFTO-UHFFFAOYSA-N 1 2 329.356 2.883 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000344237811 476171506 /nfs/dbraw/zinc/17/15/06/476171506.db2.gz OSFPTGBQHIYFTO-UHFFFAOYSA-N 1 2 329.356 2.883 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353678108 476181323 /nfs/dbraw/zinc/18/13/23/476181323.db2.gz CSRASIPLBLGHKN-GFCCVEGCSA-N 1 2 344.293 2.544 20 5 EFBDLO Cc1c(Br)c(N2C[C@H](C)[NH+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000338784576 476184191 /nfs/dbraw/zinc/18/41/91/476184191.db2.gz LSBJBRUZQPQBLE-IUCAKERBSA-N 1 2 343.225 2.590 20 5 EFBDLO CO[C@@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000338789787 476189067 /nfs/dbraw/zinc/18/90/67/476189067.db2.gz IFPPDSBGBHGHRZ-HNNXBMFYSA-N 1 2 328.372 2.619 20 5 EFBDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279127 476225939 /nfs/dbraw/zinc/22/59/39/476225939.db2.gz WTHCLKDVSITQQY-UHFFFAOYSA-N 1 2 333.323 2.588 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000340718408 476227678 /nfs/dbraw/zinc/22/76/78/476227678.db2.gz AWOKXLWNFSGZBF-UHFFFAOYSA-N 1 2 325.328 2.586 20 5 EFBDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295671 476238028 /nfs/dbraw/zinc/23/80/28/476238028.db2.gz YRPKLMHZCQADFO-SNVBAGLBSA-N 1 2 333.323 2.630 20 5 EFBDLO CCc1nn(C)c(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000340769874 476261444 /nfs/dbraw/zinc/26/14/44/476261444.db2.gz CGQPCASFLZHUPQ-UHFFFAOYSA-N 1 2 346.435 2.784 20 5 EFBDLO CC(C)[NH+]1CC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000357202812 476288061 /nfs/dbraw/zinc/28/80/61/476288061.db2.gz RMXURFSXWAFGOR-UHFFFAOYSA-N 1 2 343.836 2.549 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000360595812 476312962 /nfs/dbraw/zinc/31/29/62/476312962.db2.gz LNWVULDKPDCTBH-CQSZACIVSA-N 1 2 330.388 2.556 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)o1 ZINC000351145339 476347290 /nfs/dbraw/zinc/34/72/90/476347290.db2.gz JUCQTBZYZDTKNW-LLVKDONJSA-N 1 2 334.332 2.554 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)o1 ZINC000351145339 476347292 /nfs/dbraw/zinc/34/72/92/476347292.db2.gz JUCQTBZYZDTKNW-LLVKDONJSA-N 1 2 334.332 2.554 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000354138092 476454307 /nfs/dbraw/zinc/45/43/07/476454307.db2.gz HJFVSKLDDMZTHC-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352189559 476536232 /nfs/dbraw/zinc/53/62/32/476536232.db2.gz HPBNYMKUGISTCS-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO Cc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc(C2CC2)[nH+]1 ZINC000357793038 476608561 /nfs/dbraw/zinc/60/85/61/476608561.db2.gz BOEIBIQRFPNCTG-UHFFFAOYSA-N 1 2 326.356 2.970 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000361117273 476612765 /nfs/dbraw/zinc/61/27/65/476612765.db2.gz ZQBWIGXMTFPTBO-UHFFFAOYSA-N 1 2 338.367 2.800 20 5 EFBDLO COC(=O)COc1ccc(CNc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000352309277 476627650 /nfs/dbraw/zinc/62/76/50/476627650.db2.gz SUETZCNIPFGWSC-UHFFFAOYSA-N 1 2 345.355 2.771 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3c3[nH]cc[nH+]3)n2)cc1 ZINC000375005766 476631022 /nfs/dbraw/zinc/63/10/22/476631022.db2.gz UDJIXQOMMAOASD-ZDUSSCGKSA-N 1 2 340.343 2.705 20 5 EFBDLO Cc1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)c2c([nH+]1)CCCC2 ZINC000357831055 476635850 /nfs/dbraw/zinc/63/58/50/476635850.db2.gz WAKJSQOJJBIZIK-UHFFFAOYSA-N 1 2 340.383 2.971 20 5 EFBDLO CCn1nccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352355072 476657919 /nfs/dbraw/zinc/65/79/19/476657919.db2.gz AYTKROZVCJILDQ-CYBMUJFWSA-N 1 2 345.403 2.579 20 5 EFBDLO CCn1nccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352355072 476657922 /nfs/dbraw/zinc/65/79/22/476657922.db2.gz AYTKROZVCJILDQ-CYBMUJFWSA-N 1 2 345.403 2.579 20 5 EFBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378338274 476694284 /nfs/dbraw/zinc/69/42/84/476694284.db2.gz XBKQQFOMOVKJQI-MRXNPFEDSA-N 1 2 330.388 2.551 20 5 EFBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378338274 476694289 /nfs/dbraw/zinc/69/42/89/476694289.db2.gz XBKQQFOMOVKJQI-MRXNPFEDSA-N 1 2 330.388 2.551 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000451880293 476697239 /nfs/dbraw/zinc/69/72/39/476697239.db2.gz VJSCCONEMBZCFI-HNNXBMFYSA-N 1 2 340.387 2.895 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000451880293 476697243 /nfs/dbraw/zinc/69/72/43/476697243.db2.gz VJSCCONEMBZCFI-HNNXBMFYSA-N 1 2 340.387 2.895 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000354526018 476708632 /nfs/dbraw/zinc/70/86/32/476708632.db2.gz JULJKHMKGDCCNP-ZDUSSCGKSA-N 1 2 344.762 2.973 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000354526015 476708647 /nfs/dbraw/zinc/70/86/47/476708647.db2.gz JULJKHMKGDCCNP-CYBMUJFWSA-N 1 2 344.762 2.973 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000387750157 476772869 /nfs/dbraw/zinc/77/28/69/476772869.db2.gz AWZHDFGVNWUTEJ-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000387750157 476772862 /nfs/dbraw/zinc/77/28/62/476772862.db2.gz AWZHDFGVNWUTEJ-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c[nH+]1 ZINC000452050839 476795334 /nfs/dbraw/zinc/79/53/34/476795334.db2.gz XXFVVAORLROMDB-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000446725250 476911879 /nfs/dbraw/zinc/91/18/79/476911879.db2.gz JBGVBZYRSDLSJO-UHFFFAOYSA-N 1 2 345.443 2.990 20 5 EFBDLO CC1CCC(N(C)C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000446725250 476911883 /nfs/dbraw/zinc/91/18/83/476911883.db2.gz JBGVBZYRSDLSJO-UHFFFAOYSA-N 1 2 345.443 2.990 20 5 EFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000452336075 476921647 /nfs/dbraw/zinc/92/16/47/476921647.db2.gz SXDHMIGHBUVDIR-UHFFFAOYSA-N 1 2 325.328 2.861 20 5 EFBDLO CC[C@@H](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452405995 476952555 /nfs/dbraw/zinc/95/25/55/476952555.db2.gz KKVGHSCBVNGWFC-MLGOLLRUSA-N 1 2 346.387 2.571 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000416065628 477007975 /nfs/dbraw/zinc/00/79/75/477007975.db2.gz HMLKGROTJWYJSJ-AGIUHOORSA-N 1 2 328.372 2.897 20 5 EFBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000366481698 477030342 /nfs/dbraw/zinc/03/03/42/477030342.db2.gz SMMNSNUJYLZDNW-UHFFFAOYSA-N 1 2 339.311 2.646 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000370955116 477054939 /nfs/dbraw/zinc/05/49/39/477054939.db2.gz XTUKTNWJNYSTPQ-AWEZNQCLSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000370955482 477056014 /nfs/dbraw/zinc/05/60/14/477056014.db2.gz ZXDHPQGMLBEUGM-PPYMECGQSA-N 1 2 340.383 2.807 20 5 EFBDLO CSCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816670 477065170 /nfs/dbraw/zinc/06/51/70/477065170.db2.gz MEKZVLNUIPXVAZ-UHFFFAOYSA-N 1 2 325.434 2.592 20 5 EFBDLO C[C@@H](C[C@@H]1CCCO1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816164 477065923 /nfs/dbraw/zinc/06/59/23/477065923.db2.gz JBIHVQNUIGMWFU-HOCLYGCPSA-N 1 2 349.431 2.797 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452749124 477069630 /nfs/dbraw/zinc/06/96/30/477069630.db2.gz BQMLHYRVMNRDQQ-UHFFFAOYSA-N 1 2 330.344 2.779 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000366575891 477077449 /nfs/dbraw/zinc/07/74/49/477077449.db2.gz RDEZTEOECIQCOE-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO CCNc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000411047740 477096449 /nfs/dbraw/zinc/09/64/49/477096449.db2.gz GQEKLCUMHMHIMS-GWCFXTLKSA-N 1 2 329.360 2.659 20 5 EFBDLO CCNc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000411047751 477096606 /nfs/dbraw/zinc/09/66/06/477096606.db2.gz GQEKLCUMHMHIMS-ZWNOBZJWSA-N 1 2 329.360 2.659 20 5 EFBDLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452854361 477108277 /nfs/dbraw/zinc/10/82/77/477108277.db2.gz ONEWJXFDQVDVHR-OAHLLOKOSA-N 1 2 328.372 2.588 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376019266 477133634 /nfs/dbraw/zinc/13/36/34/477133634.db2.gz OJGVGEXINNABOO-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376019266 477133643 /nfs/dbraw/zinc/13/36/43/477133643.db2.gz OJGVGEXINNABOO-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432134183 477165481 /nfs/dbraw/zinc/16/54/81/477165481.db2.gz BWVNTKQWAQCHJJ-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432134183 477165485 /nfs/dbraw/zinc/16/54/85/477165485.db2.gz BWVNTKQWAQCHJJ-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000453407726 477223793 /nfs/dbraw/zinc/22/37/93/477223793.db2.gz MMDFRVDEFIAPAT-UHOFOFEASA-N 1 2 330.388 2.575 20 5 EFBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000371418621 477306601 /nfs/dbraw/zinc/30/66/01/477306601.db2.gz DSFYZXUUZXUKJP-GNJLHFKMSA-N 1 2 337.379 2.693 20 5 EFBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000371418621 477306608 /nfs/dbraw/zinc/30/66/08/477306608.db2.gz DSFYZXUUZXUKJP-GNJLHFKMSA-N 1 2 337.379 2.693 20 5 EFBDLO CC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000376394710 477312671 /nfs/dbraw/zinc/31/26/71/477312671.db2.gz IEUBQAXLTFRKEB-FUHWJXTLSA-N 1 2 347.415 2.853 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000433752121 477326350 /nfs/dbraw/zinc/32/63/50/477326350.db2.gz VEWZJXZSHWYORG-UHFFFAOYSA-N 1 2 343.387 2.534 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000433752121 477326354 /nfs/dbraw/zinc/32/63/54/477326354.db2.gz VEWZJXZSHWYORG-UHFFFAOYSA-N 1 2 343.387 2.534 20 5 EFBDLO COc1ccnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000424306519 477365262 /nfs/dbraw/zinc/36/52/62/477365262.db2.gz IFYDUYOXAPBAIU-HNNXBMFYSA-N 1 2 328.372 2.951 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454789217 477377457 /nfs/dbraw/zinc/37/74/57/477377457.db2.gz FJQAOTCFHPOOHZ-RNCFNFMXSA-N 1 2 349.778 2.950 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435822851 477377748 /nfs/dbraw/zinc/37/77/48/477377748.db2.gz VSGPPUOTOBBPRE-UHFFFAOYSA-N 1 2 346.390 2.687 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000454975738 477453615 /nfs/dbraw/zinc/45/36/15/477453615.db2.gz UYBCZSSZQRWQBJ-OAHLLOKOSA-N 1 2 342.399 2.791 20 5 EFBDLO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(F)c1 ZINC000413043087 477484440 /nfs/dbraw/zinc/48/44/40/477484440.db2.gz JDFQRMSDPMBJKN-MRXNPFEDSA-N 1 2 346.362 2.614 20 5 EFBDLO C[C@@H]1[C@H](C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H]1C ZINC000419002911 477492988 /nfs/dbraw/zinc/49/29/88/477492988.db2.gz CPTDIAFSNBAJTQ-KFWWJZLASA-N 1 2 333.432 2.908 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000449219856 477492938 /nfs/dbraw/zinc/49/29/38/477492938.db2.gz FLAFCWYREOWMDQ-CQSZACIVSA-N 1 2 342.399 2.870 20 5 EFBDLO CC(C)C(=O)N1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413113828 477525865 /nfs/dbraw/zinc/52/58/65/477525865.db2.gz CXIHLOURQKGHEN-UHFFFAOYSA-N 1 2 342.399 2.838 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000455178199 477532393 /nfs/dbraw/zinc/53/23/93/477532393.db2.gz ZOZWXEHIEVCFKD-JTQLQIEISA-N 1 2 333.348 2.703 20 5 EFBDLO CS(=O)(=O)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413159918 477546839 /nfs/dbraw/zinc/54/68/39/477546839.db2.gz LMCJLEMWNWIDRK-UHFFFAOYSA-N 1 2 349.412 2.911 20 5 EFBDLO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436680752 477555248 /nfs/dbraw/zinc/55/52/48/477555248.db2.gz OPUHYPKOANDGFM-UHFFFAOYSA-N 1 2 349.431 2.788 20 5 EFBDLO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436716630 477568380 /nfs/dbraw/zinc/56/83/80/477568380.db2.gz UKBVSZOTLRUFQY-SMDDNHRTSA-N 1 2 347.371 2.753 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](CC(F)F)CC2)c2cccnc21 ZINC000413216646 477575246 /nfs/dbraw/zinc/57/52/46/477575246.db2.gz UKMZGTFAZSHVMD-UHFFFAOYSA-N 1 2 336.342 2.920 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CC(F)F)CC2)c2cccnc21 ZINC000413216646 477575250 /nfs/dbraw/zinc/57/52/50/477575250.db2.gz UKMZGTFAZSHVMD-UHFFFAOYSA-N 1 2 336.342 2.920 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367583204 477583515 /nfs/dbraw/zinc/58/35/15/477583515.db2.gz BHYHLMFIQJGMQW-DOMZBBRYSA-N 1 2 339.823 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCO[C@@H]3CCCCO3)c2c1 ZINC000413258539 477594247 /nfs/dbraw/zinc/59/42/47/477594247.db2.gz BXMHXSWWXSGFDJ-MRXNPFEDSA-N 1 2 331.372 2.910 20 5 EFBDLO O=C([C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000413295578 477615465 /nfs/dbraw/zinc/61/54/65/477615465.db2.gz PWZJVZFWZRLULM-AWEZNQCLSA-N 1 2 340.383 2.592 20 5 EFBDLO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436897936 477629639 /nfs/dbraw/zinc/62/96/39/477629639.db2.gz DGHNMTJJELLGTC-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+](C)Cc1ccccc1 ZINC000436969988 477652707 /nfs/dbraw/zinc/65/27/07/477652707.db2.gz BNBTXJLSHSQRMN-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+](C)Cc1ccccc1 ZINC000436969988 477652714 /nfs/dbraw/zinc/65/27/14/477652714.db2.gz BNBTXJLSHSQRMN-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000367735142 477662434 /nfs/dbraw/zinc/66/24/34/477662434.db2.gz WXUIPILIGSMBAO-WCQYABFASA-N 1 2 325.796 2.548 20 5 EFBDLO CCc1cc(N[C@@H](C)CCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450648470 477668907 /nfs/dbraw/zinc/66/89/07/477668907.db2.gz VSEMAIHNMHNIEU-ZDUSSCGKSA-N 1 2 344.415 2.999 20 5 EFBDLO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000450674140 477679775 /nfs/dbraw/zinc/67/97/75/477679775.db2.gz AWYVLNAPSMELGP-SNVBAGLBSA-N 1 2 335.385 2.997 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(CF)CC1 ZINC000450686208 477684245 /nfs/dbraw/zinc/68/42/45/477684245.db2.gz MQSAUFAMYNSVII-UHFFFAOYSA-N 1 2 337.395 2.613 20 5 EFBDLO CC[C@](C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450717254 477695736 /nfs/dbraw/zinc/69/57/36/477695736.db2.gz POUMCWDCMIGGOQ-QGZVFWFLSA-N 1 2 337.420 2.654 20 5 EFBDLO COCC[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413486475 477697565 /nfs/dbraw/zinc/69/75/65/477697565.db2.gz BASDRITZQUHFHY-CQSZACIVSA-N 1 2 337.420 2.512 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000372248615 477713447 /nfs/dbraw/zinc/71/34/47/477713447.db2.gz ITKOKPBEHPRJJG-NSHDSACASA-N 1 2 332.335 2.546 20 5 EFBDLO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2[nH+]ccn21 ZINC000450827085 477732121 /nfs/dbraw/zinc/73/21/21/477732121.db2.gz GXIBVHCWGOTZGH-ZANVPECISA-N 1 2 327.344 2.794 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000450832216 477732344 /nfs/dbraw/zinc/73/23/44/477732344.db2.gz RDFYLWYVGXPDSK-SNVBAGLBSA-N 1 2 329.360 2.869 20 5 EFBDLO Cc1cc(NCCCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420624990 477762735 /nfs/dbraw/zinc/76/27/35/477762735.db2.gz AWHOZXCCGJDNIB-UHFFFAOYSA-N 1 2 342.399 2.889 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCn1cc[nH+]c1 ZINC000427985453 477799943 /nfs/dbraw/zinc/79/99/43/477799943.db2.gz QWRMKJXBVLKEEN-UHFFFAOYSA-N 1 2 338.751 2.734 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4ccncc43)C2)nc1 ZINC000428145755 477827913 /nfs/dbraw/zinc/82/79/13/477827913.db2.gz MATQUZZRLUUCQZ-LBPRGKRZSA-N 1 2 336.355 2.624 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c4ccncc43)C2)nc1 ZINC000428145753 477828303 /nfs/dbraw/zinc/82/83/03/477828303.db2.gz MATQUZZRLUUCQZ-GFCCVEGCSA-N 1 2 336.355 2.624 20 5 EFBDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000420944694 477845294 /nfs/dbraw/zinc/84/52/94/477845294.db2.gz ACHXZFSARRSSBQ-DAXOMENPSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964032 477860782 /nfs/dbraw/zinc/86/07/82/477860782.db2.gz WIVYPDKWQIHNEJ-MCIONIFRSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964032 477860787 /nfs/dbraw/zinc/86/07/87/477860787.db2.gz WIVYPDKWQIHNEJ-MCIONIFRSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420964030 477861236 /nfs/dbraw/zinc/86/12/36/477861236.db2.gz WIVYPDKWQIHNEJ-BFHYXJOUSA-N 1 2 335.404 2.811 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456357161 477883991 /nfs/dbraw/zinc/88/39/91/477883991.db2.gz PKHDWPXBLWEKHR-JTQLQIEISA-N 1 2 336.779 2.885 20 5 EFBDLO CCc1nc(C)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000428470460 477906994 /nfs/dbraw/zinc/90/69/94/477906994.db2.gz PFFJWNSNNNZQIC-UHFFFAOYSA-N 1 2 330.388 2.776 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2[nH+]ccn21 ZINC000456393940 477909061 /nfs/dbraw/zinc/90/90/61/477909061.db2.gz RTJXUUWBTQQRHN-YMTOWFKASA-N 1 2 325.328 2.708 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456395820 477910657 /nfs/dbraw/zinc/91/06/57/477910657.db2.gz SNCVJBXZRBVFOW-GWCFXTLKSA-N 1 2 332.385 2.706 20 5 EFBDLO COc1ccc(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000532440588 477927918 /nfs/dbraw/zinc/92/79/18/477927918.db2.gz RYDNUWDDXXWCBM-UHFFFAOYSA-N 1 2 340.339 2.969 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2[nH+]ccn21 ZINC000456441680 477934261 /nfs/dbraw/zinc/93/42/61/477934261.db2.gz ZIUKLAROCMJKRM-SKDRFNHKSA-N 1 2 325.328 2.708 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000428688655 477959909 /nfs/dbraw/zinc/95/99/09/477959909.db2.gz HZLIUCJAVVXQRK-UHFFFAOYSA-N 1 2 338.371 2.707 20 5 EFBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464835999 477964813 /nfs/dbraw/zinc/96/48/13/477964813.db2.gz WEURUSTYHJRIMW-SFHVURJKSA-N 1 2 340.379 2.910 20 5 EFBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464835999 477964820 /nfs/dbraw/zinc/96/48/20/477964820.db2.gz WEURUSTYHJRIMW-SFHVURJKSA-N 1 2 340.379 2.910 20 5 EFBDLO CCc1cc(NC[C@H](CC)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000516693116 477973621 /nfs/dbraw/zinc/97/36/21/477973621.db2.gz ANBUCWLYSISEQY-HNNXBMFYSA-N 1 2 330.388 2.873 20 5 EFBDLO C[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451359699 477974633 /nfs/dbraw/zinc/97/46/33/477974633.db2.gz DFCZGYMSVFLOKH-CHWSQXEVSA-N 1 2 328.372 2.947 20 5 EFBDLO Cc1ccc(NCCCNC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517239747 478069775 /nfs/dbraw/zinc/06/97/75/478069775.db2.gz SOFKSTFGOWLEDK-AWEZNQCLSA-N 1 2 345.403 2.669 20 5 EFBDLO CCCn1ncnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547658 478082582 /nfs/dbraw/zinc/08/25/82/478082582.db2.gz LJQFVARRAWDYBJ-HNNXBMFYSA-N 1 2 329.404 2.976 20 5 EFBDLO CCCn1ncnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547658 478082589 /nfs/dbraw/zinc/08/25/89/478082589.db2.gz LJQFVARRAWDYBJ-HNNXBMFYSA-N 1 2 329.404 2.976 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000451554067 478088873 /nfs/dbraw/zinc/08/88/73/478088873.db2.gz YYNQMXBTSOESEU-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000451554067 478088882 /nfs/dbraw/zinc/08/88/82/478088882.db2.gz YYNQMXBTSOESEU-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NCc1ccccc1 ZINC000440696090 478151645 /nfs/dbraw/zinc/15/16/45/478151645.db2.gz HWLOIBZLWDFIBC-CQSZACIVSA-N 1 2 327.384 2.904 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000440696090 478151649 /nfs/dbraw/zinc/15/16/49/478151649.db2.gz HWLOIBZLWDFIBC-CQSZACIVSA-N 1 2 327.384 2.904 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000429691385 478174486 /nfs/dbraw/zinc/17/44/86/478174486.db2.gz WMKVDVLPKUWIHB-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000429691384 478174730 /nfs/dbraw/zinc/17/47/30/478174730.db2.gz WMKVDVLPKUWIHB-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440942637 478178859 /nfs/dbraw/zinc/17/88/59/478178859.db2.gz OEUBOLZMRBHXRC-UKRRQHHQSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440942637 478178863 /nfs/dbraw/zinc/17/88/63/478178863.db2.gz OEUBOLZMRBHXRC-UKRRQHHQSA-N 1 2 347.415 2.874 20 5 EFBDLO O=C(NC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451791874 478205609 /nfs/dbraw/zinc/20/56/09/478205609.db2.gz RNOAOEQTQMKQSB-GFCCVEGCSA-N 1 2 346.412 2.654 20 5 EFBDLO COc1c(C)[nH+]c(C2CC2)nc1NCCc1cccc([N+](=O)[O-])c1 ZINC000562145555 478216922 /nfs/dbraw/zinc/21/69/22/478216922.db2.gz ZWONJDMRMXPIGM-UHFFFAOYSA-N 1 2 328.372 2.656 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC000570051678 478273227 /nfs/dbraw/zinc/27/32/27/478273227.db2.gz UMYBVZMEMDLKJD-UHFFFAOYSA-N 1 2 327.344 2.773 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3c(O)cccc3C1)OCCO2 ZINC000600209117 478284638 /nfs/dbraw/zinc/28/46/38/478284638.db2.gz XHONABZAPCCIOB-UHFFFAOYSA-N 1 2 342.351 2.630 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3c(O)cccc3C1)OCCO2 ZINC000600209117 478284645 /nfs/dbraw/zinc/28/46/45/478284645.db2.gz XHONABZAPCCIOB-UHFFFAOYSA-N 1 2 342.351 2.630 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(c2ncnc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000590710112 478302596 /nfs/dbraw/zinc/30/25/96/478302596.db2.gz IEYMHCVFQUSPTE-CQSZACIVSA-N 1 2 338.371 2.859 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000495873996 478377670 /nfs/dbraw/zinc/37/76/70/478377670.db2.gz KROBHUUCNHWEFJ-UHFFFAOYSA-N 1 2 339.392 2.560 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000495873996 478377677 /nfs/dbraw/zinc/37/76/77/478377677.db2.gz KROBHUUCNHWEFJ-UHFFFAOYSA-N 1 2 339.392 2.560 20 5 EFBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000523747800 478387756 /nfs/dbraw/zinc/38/77/56/478387756.db2.gz KLGUAROJEXIZOX-HNNXBMFYSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000523747800 478387767 /nfs/dbraw/zinc/38/77/67/478387767.db2.gz KLGUAROJEXIZOX-HNNXBMFYSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594514460 478421652 /nfs/dbraw/zinc/42/16/52/478421652.db2.gz YFKWYUXQHXDJGZ-SWLSCSKDSA-N 1 2 345.403 2.675 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)CCC2 ZINC000581737192 478434743 /nfs/dbraw/zinc/43/47/43/478434743.db2.gz ZQQCMOYKQOLWPJ-CYBMUJFWSA-N 1 2 345.403 2.693 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591051116 478442980 /nfs/dbraw/zinc/44/29/80/478442980.db2.gz JZVFPBCHZHNVIU-IXDOHACOSA-N 1 2 340.383 2.759 20 5 EFBDLO CCOC(=O)c1ccnc(NCCc2[nH+]cc(C)cc2C)c1[N+](=O)[O-] ZINC000594595809 478455052 /nfs/dbraw/zinc/45/50/52/478455052.db2.gz LACAJSQCGFVUOX-UHFFFAOYSA-N 1 2 344.371 2.833 20 5 EFBDLO Cc1c[nH+]c(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000594596183 478455969 /nfs/dbraw/zinc/45/59/69/478455969.db2.gz PGDPECVVBWFHQP-UHFFFAOYSA-N 1 2 349.412 2.665 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3nc[nH+]c4c3OCCN4)C2)cc1 ZINC000591164673 478481060 /nfs/dbraw/zinc/48/10/60/478481060.db2.gz ZMOHISHLDVFVSO-CYBMUJFWSA-N 1 2 341.371 2.573 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3[nH+]cnc4c3OCCN4)C2)cc1 ZINC000591164673 478481068 /nfs/dbraw/zinc/48/10/68/478481068.db2.gz ZMOHISHLDVFVSO-CYBMUJFWSA-N 1 2 341.371 2.573 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597726428 478481555 /nfs/dbraw/zinc/48/15/55/478481555.db2.gz BTKFVWBTHIUQHM-LBPRGKRZSA-N 1 2 343.387 2.813 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597829578 478530066 /nfs/dbraw/zinc/53/00/66/478530066.db2.gz PHSPBULHMZUSFQ-KBPBESRZSA-N 1 2 326.356 2.795 20 5 EFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600865172 478544396 /nfs/dbraw/zinc/54/43/96/478544396.db2.gz YDBIPMAFRQRIRW-UHFFFAOYSA-N 1 2 327.344 2.913 20 5 EFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600865172 478544404 /nfs/dbraw/zinc/54/44/04/478544404.db2.gz YDBIPMAFRQRIRW-UHFFFAOYSA-N 1 2 327.344 2.913 20 5 EFBDLO CCc1ccc([C@H]([NH2+]CC(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544440 478567175 /nfs/dbraw/zinc/56/71/75/478567175.db2.gz VEQOAOWXYKLHIC-GOSISDBHSA-N 1 2 345.399 2.954 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](CC)O1 ZINC000591505209 478570292 /nfs/dbraw/zinc/57/02/92/478570292.db2.gz LKIONUYULDWXQY-OKILXGFUSA-N 1 2 336.388 2.755 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](CC)O1 ZINC000591505209 478570296 /nfs/dbraw/zinc/57/02/96/478570296.db2.gz LKIONUYULDWXQY-OKILXGFUSA-N 1 2 336.388 2.755 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000597941342 478587485 /nfs/dbraw/zinc/58/74/85/478587485.db2.gz OGHVTUROJOLTQS-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000600967535 478589387 /nfs/dbraw/zinc/58/93/87/478589387.db2.gz URAVAWDTHQOKHJ-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO CCn1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nn1 ZINC000594971320 478613268 /nfs/dbraw/zinc/61/32/68/478613268.db2.gz DVKNUOLWYGDGRT-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595013648 478629418 /nfs/dbraw/zinc/62/94/18/478629418.db2.gz KUYQPNTZISGZSM-NSHDSACASA-N 1 2 348.403 2.759 20 5 EFBDLO NC(=O)c1csc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595089153 478656658 /nfs/dbraw/zinc/65/66/58/478656658.db2.gz ZGNRDJSPKYXQRO-CYBMUJFWSA-N 1 2 346.412 2.708 20 5 EFBDLO CC(C)(C)OCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598189999 478696927 /nfs/dbraw/zinc/69/69/27/478696927.db2.gz DURCPOUNGSXMQE-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895176 478704735 /nfs/dbraw/zinc/70/47/35/478704735.db2.gz MIWOWCGKFLWJHF-ZBEGNZNMSA-N 1 2 346.412 2.771 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895176 478704741 /nfs/dbraw/zinc/70/47/41/478704741.db2.gz MIWOWCGKFLWJHF-ZBEGNZNMSA-N 1 2 346.412 2.771 20 5 EFBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595287764 478715244 /nfs/dbraw/zinc/71/52/44/478715244.db2.gz HWPYQDSAWAJGAP-GFCCVEGCSA-N 1 2 333.344 2.553 20 5 EFBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595287764 478715254 /nfs/dbraw/zinc/71/52/54/478715254.db2.gz HWPYQDSAWAJGAP-GFCCVEGCSA-N 1 2 333.344 2.553 20 5 EFBDLO CCN1C[C@H](C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])Oc2ccccc21 ZINC000595290659 478716615 /nfs/dbraw/zinc/71/66/15/478716615.db2.gz YEBONVGOKVIWJS-ZDUSSCGKSA-N 1 2 346.387 2.611 20 5 EFBDLO CCN1C[C@H](C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])Oc2ccccc21 ZINC000595290659 478716621 /nfs/dbraw/zinc/71/66/21/478716621.db2.gz YEBONVGOKVIWJS-ZDUSSCGKSA-N 1 2 346.387 2.611 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000595291707 478716929 /nfs/dbraw/zinc/71/69/29/478716929.db2.gz QKQJTNGRLHRVOJ-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO C[C@H]1SCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000592002338 478740757 /nfs/dbraw/zinc/74/07/57/478740757.db2.gz IIQNHIJNFFLBHL-TZMCWYRMSA-N 1 2 337.445 2.733 20 5 EFBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000601240323 478743275 /nfs/dbraw/zinc/74/32/75/478743275.db2.gz YZSQUCOEGIMQIU-UHFFFAOYSA-N 1 2 331.372 2.941 20 5 EFBDLO CCCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000595372461 478752535 /nfs/dbraw/zinc/75/25/35/478752535.db2.gz JSDFFXUWEMIYEN-CQSZACIVSA-N 1 2 344.408 2.523 20 5 EFBDLO CCCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000595372461 478752545 /nfs/dbraw/zinc/75/25/45/478752545.db2.gz JSDFFXUWEMIYEN-CQSZACIVSA-N 1 2 344.408 2.523 20 5 EFBDLO CCCCNC(=O)C1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000595380374 478755825 /nfs/dbraw/zinc/75/58/25/478755825.db2.gz OGRRFBLQKLZLRB-UHFFFAOYSA-N 1 2 338.408 2.600 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3c(F)cccc3F)CC2)cn1 ZINC000592058712 478759733 /nfs/dbraw/zinc/75/97/33/478759733.db2.gz LIMZREUATFTMQJ-UHFFFAOYSA-N 1 2 348.353 2.633 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1[N+](=O)[O-] ZINC000595418876 478768288 /nfs/dbraw/zinc/76/82/88/478768288.db2.gz UTQBOMYYSGSOPG-NSHDSACASA-N 1 2 327.344 2.928 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1[N+](=O)[O-] ZINC000595424202 478771365 /nfs/dbraw/zinc/77/13/65/478771365.db2.gz PEFWENRRCXRKCF-MRXNPFEDSA-N 1 2 345.355 2.903 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000601314520 478781756 /nfs/dbraw/zinc/78/17/56/478781756.db2.gz IPAFNPNXLOORHX-RISCZKNCSA-N 1 2 332.335 2.654 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000592125158 478785455 /nfs/dbraw/zinc/78/54/55/478785455.db2.gz RJFMJAIDYAKLIO-UHFFFAOYSA-N 1 2 348.353 2.633 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000595465476 478799694 /nfs/dbraw/zinc/79/96/94/478799694.db2.gz OAYVRHRALSSTTE-GXFFZTMASA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000595465476 478799700 /nfs/dbraw/zinc/79/97/00/478799700.db2.gz OAYVRHRALSSTTE-GXFFZTMASA-N 1 2 336.285 2.869 20 5 EFBDLO O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492055130 478802515 /nfs/dbraw/zinc/80/25/15/478802515.db2.gz 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479148263 /nfs/dbraw/zinc/14/82/63/479148263.db2.gz UIDYTFIYLFMZRT-OAHLLOKOSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](CC)CO1 ZINC000593057699 479148459 /nfs/dbraw/zinc/14/84/59/479148459.db2.gz HBDXZHRCDMOJHP-UKRRQHHQSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](CC)CO1 ZINC000593057699 479148465 /nfs/dbraw/zinc/14/84/65/479148465.db2.gz HBDXZHRCDMOJHP-UKRRQHHQSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055909 479149429 /nfs/dbraw/zinc/14/94/29/479149429.db2.gz UIDYTFIYLFMZRT-HNNXBMFYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055909 479149436 /nfs/dbraw/zinc/14/94/36/479149436.db2.gz UIDYTFIYLFMZRT-HNNXBMFYSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CO1 ZINC000593059992 479149821 /nfs/dbraw/zinc/14/98/21/479149821.db2.gz 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C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610859644 479210562 /nfs/dbraw/zinc/21/05/62/479210562.db2.gz FDMWLXZXLCSDKR-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000584814580 479248157 /nfs/dbraw/zinc/24/81/57/479248157.db2.gz MIQSYDJAODZCHV-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000584814580 479248164 /nfs/dbraw/zinc/24/81/64/479248164.db2.gz MIQSYDJAODZCHV-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO COc1cc(C[N@@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610990874 479253840 /nfs/dbraw/zinc/25/38/40/479253840.db2.gz RVYOFUMHUPTOCA-SNVBAGLBSA-N 1 2 346.330 2.816 20 5 EFBDLO COc1cc(C[N@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610990874 479253846 /nfs/dbraw/zinc/25/38/46/479253846.db2.gz RVYOFUMHUPTOCA-SNVBAGLBSA-N 1 2 346.330 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3Cl)C2)nc1 ZINC000599325244 479255358 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Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603250932 479321435 /nfs/dbraw/zinc/32/14/35/479321435.db2.gz MRJQDGWUOPANJP-CYBMUJFWSA-N 1 2 347.444 2.653 20 5 EFBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611253243 479324643 /nfs/dbraw/zinc/32/46/43/479324643.db2.gz BDUBTIOWOALSIK-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611253243 479324647 /nfs/dbraw/zinc/32/46/47/479324647.db2.gz BDUBTIOWOALSIK-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611253249 479324794 /nfs/dbraw/zinc/32/47/94/479324794.db2.gz GDRUDUFDNCHRHS-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611253249 479324796 /nfs/dbraw/zinc/32/47/96/479324796.db2.gz GDRUDUFDNCHRHS-UHFFFAOYSA-N 1 2 343.383 2.909 20 5 EFBDLO COCC[N@H+](Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257785 479325693 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EFBDLO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245736818 524458685 /nfs/dbraw/zinc/45/86/85/524458685.db2.gz FSLPSZFHOUOYQS-LBPRGKRZSA-N 1 2 331.338 2.972 20 5 EFBDLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177935263 525218884 /nfs/dbraw/zinc/21/88/84/525218884.db2.gz NLXZKAVIPPSOJE-GFCCVEGCSA-N 1 2 339.355 2.803 20 5 EFBDLO Cc1cc(NCCCC(=O)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195304203 525267945 /nfs/dbraw/zinc/26/79/45/525267945.db2.gz BEBNNEJQRAPYSV-UHFFFAOYSA-N 1 2 343.387 2.641 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccnc1 ZINC000182885456 525485293 /nfs/dbraw/zinc/48/52/93/525485293.db2.gz DUOGIZOCWYSKPY-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccn1 ZINC000182535526 525564957 /nfs/dbraw/zinc/56/49/57/525564957.db2.gz LDFSOVLXKATGLM-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2CO)ccc1Br ZINC000159420503 534879860 /nfs/dbraw/zinc/87/98/60/534879860.db2.gz QIHVROXUWGYRQE-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1Br ZINC000159420503 534879864 /nfs/dbraw/zinc/87/98/64/534879864.db2.gz QIHVROXUWGYRQE-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178682632 525932103 /nfs/dbraw/zinc/93/21/03/525932103.db2.gz WRLZSLAOFNDWHT-MEDUHNTESA-N 1 2 331.347 2.920 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000116894739 526028744 /nfs/dbraw/zinc/02/87/44/526028744.db2.gz QWRBPNNPXHYVOS-MRXNPFEDSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000116894739 526028754 /nfs/dbraw/zinc/02/87/54/526028754.db2.gz QWRBPNNPXHYVOS-MRXNPFEDSA-N 1 2 332.356 2.949 20 5 EFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069067964 526145220 /nfs/dbraw/zinc/14/52/20/526145220.db2.gz XQCMSAHRUXAPQK-GFCCVEGCSA-N 1 2 329.356 2.770 20 5 EFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069067964 526145230 /nfs/dbraw/zinc/14/52/30/526145230.db2.gz XQCMSAHRUXAPQK-GFCCVEGCSA-N 1 2 329.356 2.770 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065545017 526504456 /nfs/dbraw/zinc/50/44/56/526504456.db2.gz MQCVRGHQYHMYOR-UHFFFAOYSA-N 1 2 344.415 2.560 20 5 EFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121194719 526680698 /nfs/dbraw/zinc/68/06/98/526680698.db2.gz JYTBYAAFKFRVCL-ZDUSSCGKSA-N 1 2 347.758 2.937 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000180469074 527332937 /nfs/dbraw/zinc/33/29/37/527332937.db2.gz ADHVNBFHWWNPAZ-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000121355008 527391697 /nfs/dbraw/zinc/39/16/97/527391697.db2.gz QGJRJRUAOXMVBF-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189715177 528076702 /nfs/dbraw/zinc/07/67/02/528076702.db2.gz ILPHZNWFNYIASJ-ZIAGYGMSSA-N 1 2 349.431 2.557 20 5 EFBDLO CCOC(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184234108 528641077 /nfs/dbraw/zinc/64/10/77/528641077.db2.gz YMXNOJXFARZTGY-UHFFFAOYSA-N 1 2 340.351 2.518 20 5 EFBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189779754 528746390 /nfs/dbraw/zinc/74/63/90/528746390.db2.gz PLMJHXDWIFPBFL-UHFFFAOYSA-N 1 2 349.431 2.513 20 5 EFBDLO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184382332 529182782 /nfs/dbraw/zinc/18/27/82/529182782.db2.gz VIONPULTKLNHDB-GFCCVEGCSA-N 1 2 334.401 2.700 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364449969 535094422 /nfs/dbraw/zinc/09/44/22/535094422.db2.gz LCMLMLOOKLDYDG-OAHLLOKOSA-N 1 2 342.399 2.791 20 5 EFBDLO CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347944102 535876506 /nfs/dbraw/zinc/87/65/06/535876506.db2.gz DKFJSWFQLLHQSD-LBPRGKRZSA-N 1 2 329.360 2.773 20 5 EFBDLO C[N@H+](CCC(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344452901 536317931 /nfs/dbraw/zinc/31/79/31/536317931.db2.gz UBLXXPBQWPHOOQ-LBPRGKRZSA-N 1 2 331.294 2.584 20 5 EFBDLO C[N@@H+](CCC(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344452901 536317934 /nfs/dbraw/zinc/31/79/34/536317934.db2.gz UBLXXPBQWPHOOQ-LBPRGKRZSA-N 1 2 331.294 2.584 20 5 EFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000351978525 536744849 /nfs/dbraw/zinc/74/48/49/536744849.db2.gz VJYLZFDXHKQRJK-UHFFFAOYSA-N 1 2 347.346 2.813 20 5 EFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000351978525 536744855 /nfs/dbraw/zinc/74/48/55/536744855.db2.gz VJYLZFDXHKQRJK-UHFFFAOYSA-N 1 2 347.346 2.813 20 5 EFBDLO O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000575047904 546358186 /nfs/dbraw/zinc/35/81/86/546358186.db2.gz FWUBIGXBSYEXHX-STQMWFEESA-N 1 2 332.335 2.791 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000756719184 575780598 /nfs/dbraw/zinc/78/05/98/575780598.db2.gz IRQWIZXORYLKGC-UHFFFAOYSA-N 1 2 330.344 2.625 20 5 EFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000760740680 576069360 /nfs/dbraw/zinc/06/93/60/576069360.db2.gz SPXBYHBHPPDPAU-LLVKDONJSA-N 1 2 325.328 2.600 20 5 EFBDLO Cc1[nH+]c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c2ccccn12 ZINC000761244359 576135154 /nfs/dbraw/zinc/13/51/54/576135154.db2.gz LYYNHAQBJVXRIC-UHFFFAOYSA-N 1 2 336.311 2.850 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000761474303 576167489 /nfs/dbraw/zinc/16/74/89/576167489.db2.gz JXRAAZZFAIBFBN-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1cccc(Cc2nc(-c3cccnc3-n3cc[nH+]c3)no2)c1 ZINC000761715829 576202895 /nfs/dbraw/zinc/20/28/95/576202895.db2.gz JJPYGQNANHUSTN-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO Cc1cccc2c1C[N@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000762085707 576254649 /nfs/dbraw/zinc/25/46/49/576254649.db2.gz BIRZCQUJNBQEAM-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1cccc2c1C[N@@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000762085707 576254652 /nfs/dbraw/zinc/25/46/52/576254652.db2.gz BIRZCQUJNBQEAM-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1cncnc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762177405 576270266 /nfs/dbraw/zinc/27/02/66/576270266.db2.gz IIHMTAREHWUIKH-UHFFFAOYSA-N 1 2 349.310 2.596 20 5 EFBDLO O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)c1 ZINC000762217723 576276670 /nfs/dbraw/zinc/27/66/70/576276670.db2.gz YCYUOBXKKXBUHK-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO Cc1c(CC(=O)OCc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000767575259 577215772 /nfs/dbraw/zinc/21/57/72/577215772.db2.gz MCYRBRZZMVZFMD-UHFFFAOYSA-N 1 2 329.356 2.650 20 5 EFBDLO Cc1nn(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000725781625 577223411 /nfs/dbraw/zinc/22/34/11/577223411.db2.gz CMHDYKJZBJFBTK-INIZCTEOSA-N 1 2 330.388 2.611 20 5 EFBDLO Cc1nn(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000725781625 577223412 /nfs/dbraw/zinc/22/34/12/577223412.db2.gz CMHDYKJZBJFBTK-INIZCTEOSA-N 1 2 330.388 2.611 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767907515 577241456 /nfs/dbraw/zinc/24/14/56/577241456.db2.gz ZJYLJKXKSVYIPH-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767907515 577241457 /nfs/dbraw/zinc/24/14/57/577241457.db2.gz ZJYLJKXKSVYIPH-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO COc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000768512828 577279699 /nfs/dbraw/zinc/27/96/99/577279699.db2.gz PJJSRMHRHADZDN-UHFFFAOYSA-N 1 2 347.337 2.908 20 5 EFBDLO COc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000768512828 577279700 /nfs/dbraw/zinc/27/97/00/577279700.db2.gz PJJSRMHRHADZDN-UHFFFAOYSA-N 1 2 347.337 2.908 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000768708028 577296385 /nfs/dbraw/zinc/29/63/85/577296385.db2.gz XNYBKQSUPUIYKN-LLVKDONJSA-N 1 2 334.763 2.991 20 5 EFBDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769565477 577372834 /nfs/dbraw/zinc/37/28/34/577372834.db2.gz YBGVIBKPQQLHAU-KRWDZBQOSA-N 1 2 348.330 2.942 20 5 EFBDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769565477 577372836 /nfs/dbraw/zinc/37/28/36/577372836.db2.gz YBGVIBKPQQLHAU-KRWDZBQOSA-N 1 2 348.330 2.942 20 5 EFBDLO CCc1nn(C)c(NCc2ccc[nH+]c2N2CCCCC2)c1[N+](=O)[O-] ZINC000769859092 577389322 /nfs/dbraw/zinc/38/93/22/577389322.db2.gz MPXKSTYIYFIMJM-UHFFFAOYSA-N 1 2 344.419 2.888 20 5 EFBDLO COc1cc(N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771156903 581181084 /nfs/dbraw/zinc/18/10/84/581181084.db2.gz ZYBRDLNNENQLGS-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO COc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771156903 581181086 /nfs/dbraw/zinc/18/10/86/581181086.db2.gz ZYBRDLNNENQLGS-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)S1 ZINC000771170164 581182914 /nfs/dbraw/zinc/18/29/14/581182914.db2.gz ZJPMSKFERQATBP-UHFFFAOYSA-N 1 2 326.447 2.660 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000708266791 1251270968 /nfs/dbraw/zinc/27/09/68/1251270968.db2.gz UZAPRLCAPLJEIZ-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000708266791 1251270977 /nfs/dbraw/zinc/27/09/77/1251270977.db2.gz UZAPRLCAPLJEIZ-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO Cc1cc[nH]c1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002714880 1263966419 /nfs/dbraw/zinc/96/64/19/1263966419.db2.gz PGEJUOCTYSCTSH-UHFFFAOYSA-N 1 2 348.428 2.687 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729929679 1264114241 /nfs/dbraw/zinc/11/42/41/1264114241.db2.gz LHECXNAUYNAGQW-LBPRGKRZSA-N 1 2 334.763 2.922 20 5 EFBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001003475371 1264798797 /nfs/dbraw/zinc/79/87/97/1264798797.db2.gz PZGCXRFWQRHKIK-WDNDVIMCSA-N 1 2 349.456 2.783 20 5 EFBDLO O=C(OC1([C@H]2CCOC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735909738 1267453680 /nfs/dbraw/zinc/45/36/80/1267453680.db2.gz IXLMFJMZWPOOEP-ZDUSSCGKSA-N 1 2 343.339 2.506 20 5 EFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000132907016 1268348965 /nfs/dbraw/zinc/34/89/65/1268348965.db2.gz KCZDGOOQNCWTRK-WFASDCNBSA-N 1 2 344.371 2.634 20 5 EFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000132907016 1268348974 /nfs/dbraw/zinc/34/89/74/1268348974.db2.gz KCZDGOOQNCWTRK-WFASDCNBSA-N 1 2 344.371 2.634 20 5 EFBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000741970444 1269787304 /nfs/dbraw/zinc/78/73/04/1269787304.db2.gz GNWLOIKJOOPMPQ-UHFFFAOYSA-N 1 2 341.283 2.711 20 5 EFBDLO CN(C(=O)C1(C)CC1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005430704 1270486245 /nfs/dbraw/zinc/48/62/45/1270486245.db2.gz BXBODGBDAZJGME-UHFFFAOYSA-N 1 2 337.445 2.879 20 5 EFBDLO O=[N+]([O-])c1ccnc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001212579445 1272176417 /nfs/dbraw/zinc/17/64/17/1272176417.db2.gz IPQXLGVYQZOVLN-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO CCCC(=O)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035635311 1274291147 /nfs/dbraw/zinc/29/11/47/1274291147.db2.gz CIVDQIWFYPUDPI-UHFFFAOYSA-N 1 2 337.445 2.881 20 5 EFBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCCn1cc[nH+]c1 ZINC001109470103 1274321647 /nfs/dbraw/zinc/32/16/47/1274321647.db2.gz LCTFJXNYDKKCAK-UHFFFAOYSA-N 1 2 345.403 2.532 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000787592624 1275805950 /nfs/dbraw/zinc/80/59/50/1275805950.db2.gz QBNHDHWBNAHVCX-SNVBAGLBSA-N 1 2 333.369 2.796 20 5 EFBDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356124 1279035816 /nfs/dbraw/zinc/03/58/16/1279035816.db2.gz YFDZNDIRSVBLTQ-CVGURMSBSA-N 1 2 348.399 2.560 20 5 EFBDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356124 1279035822 /nfs/dbraw/zinc/03/58/22/1279035822.db2.gz YFDZNDIRSVBLTQ-CVGURMSBSA-N 1 2 348.399 2.560 20 5 EFBDLO Cc1cc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000819408123 1276752608 /nfs/dbraw/zinc/75/26/08/1276752608.db2.gz LQBJSQVCISJKDP-HNNXBMFYSA-N 1 2 345.399 2.821 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334332 1279026999 /nfs/dbraw/zinc/02/69/99/1279026999.db2.gz CCSVMHUERJANRV-SJKOYZFVSA-N 1 2 336.388 2.562 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334332 1279027012 /nfs/dbraw/zinc/02/70/12/1279027012.db2.gz CCSVMHUERJANRV-SJKOYZFVSA-N 1 2 336.388 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000821324194 1277505878 /nfs/dbraw/zinc/50/58/78/1277505878.db2.gz OTNHQBABEIYSBB-ZDUSSCGKSA-N 1 2 328.372 2.575 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000871863112 1287328549 /nfs/dbraw/zinc/32/85/49/1287328549.db2.gz VSFOUBSMRCJTFM-UHFFFAOYSA-N 1 2 330.388 2.647 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000844723865 1279202264 /nfs/dbraw/zinc/20/22/64/1279202264.db2.gz YUWNUDUGYRMGEM-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000844723865 1279202268 /nfs/dbraw/zinc/20/22/68/1279202268.db2.gz YUWNUDUGYRMGEM-AWEZNQCLSA-N 1 2 345.403 2.700 20 5 EFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC3(CC3(F)F)CC2)nc1-c1ccncc1 ZINC000844727899 1279205288 /nfs/dbraw/zinc/20/52/88/1279205288.db2.gz ICLFIFRVCXLHEX-UHFFFAOYSA-N 1 2 349.341 2.932 20 5 EFBDLO C[C@@H](O)CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896326 1279248802 /nfs/dbraw/zinc/24/88/02/1279248802.db2.gz FVUNEKFVCZIDTC-SNVBAGLBSA-N 1 2 343.221 2.876 20 5 EFBDLO C[C@@H](O)CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896326 1279248807 /nfs/dbraw/zinc/24/88/07/1279248807.db2.gz FVUNEKFVCZIDTC-SNVBAGLBSA-N 1 2 343.221 2.876 20 5 EFBDLO COC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000747157976 1279930542 /nfs/dbraw/zinc/93/05/42/1279930542.db2.gz MOCXUAPLWAHFNP-HNNXBMFYSA-N 1 2 333.344 2.608 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H]2CCCC[C@H]21 ZINC001144971130 1280609896 /nfs/dbraw/zinc/60/98/96/1280609896.db2.gz PHSPBULHMZUSFQ-ZIAGYGMSSA-N 1 2 326.356 2.795 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000846932669 1280624869 /nfs/dbraw/zinc/62/48/69/1280624869.db2.gz PMKPPRMYHIINEN-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000846932669 1280624874 /nfs/dbraw/zinc/62/48/74/1280624874.db2.gz PMKPPRMYHIINEN-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO COC[C@]1(C)CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000747454305 1281542380 /nfs/dbraw/zinc/54/23/80/1281542380.db2.gz MTTRKENNVVWXOJ-GOSISDBHSA-N 1 2 349.431 2.648 20 5 EFBDLO COC[C@]1(C)CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000747454305 1281542388 /nfs/dbraw/zinc/54/23/88/1281542388.db2.gz MTTRKENNVVWXOJ-GOSISDBHSA-N 1 2 349.431 2.648 20 5 EFBDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596278 1287624072 /nfs/dbraw/zinc/62/40/72/1287624072.db2.gz PGIDUUGQPSDURJ-LBPRGKRZSA-N 1 2 338.371 2.609 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811372881 1284258170 /nfs/dbraw/zinc/25/81/70/1284258170.db2.gz JOYSIQHMQVEOKZ-UHFFFAOYSA-N 1 2 330.127 2.955 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1(F)F ZINC000811779286 1284594257 /nfs/dbraw/zinc/59/42/57/1284594257.db2.gz OBXWMMYADTWKHN-LLVKDONJSA-N 1 2 337.330 2.788 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1(F)F ZINC000811779286 1284594263 /nfs/dbraw/zinc/59/42/63/1284594263.db2.gz OBXWMMYADTWKHN-LLVKDONJSA-N 1 2 337.330 2.788 20 5 EFBDLO C[N@H+](CCc1cccc(Br)c1)Cn1nccc1[N+](=O)[O-] ZINC000812300780 1285065014 /nfs/dbraw/zinc/06/50/14/1285065014.db2.gz YFDQAUIZZAIPKA-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO C[N@@H+](CCc1cccc(Br)c1)Cn1nccc1[N+](=O)[O-] ZINC000812300780 1285065022 /nfs/dbraw/zinc/06/50/22/1285065022.db2.gz YFDQAUIZZAIPKA-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233215 1286484503 /nfs/dbraw/zinc/48/45/03/1286484503.db2.gz JOPCXHNTSYZXIB-NZPIUUIZSA-N 1 2 330.306 2.930 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233215 1286484510 /nfs/dbraw/zinc/48/45/10/1286484510.db2.gz JOPCXHNTSYZXIB-NZPIUUIZSA-N 1 2 330.306 2.930 20 5 EFBDLO Nc1cc2nc3ccccc3nc2cc1NC(=O)CCn1cc[nH+]c1 ZINC001176878400 1288157449 /nfs/dbraw/zinc/15/74/49/1288157449.db2.gz PFBSURVLESIRAX-UHFFFAOYSA-N 1 2 332.367 2.591 20 5 EFBDLO Cc1cc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc([N+](=O)[O-])c1 ZINC000823393798 1289289042 /nfs/dbraw/zinc/28/90/42/1289289042.db2.gz NPBZOKNJVUVABJ-LBPRGKRZSA-N 1 2 348.359 2.685 20 5 EFBDLO Cc1nn(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000872802639 1289390824 /nfs/dbraw/zinc/39/08/24/1289390824.db2.gz YGKAAQOOHHNAAP-HNNXBMFYSA-N 1 2 334.351 2.658 20 5 EFBDLO Cc1nn(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000872802639 1289390830 /nfs/dbraw/zinc/39/08/30/1289390830.db2.gz YGKAAQOOHHNAAP-HNNXBMFYSA-N 1 2 334.351 2.658 20 5 EFBDLO CC(C)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1COC1 ZINC000824472832 1289660354 /nfs/dbraw/zinc/66/03/54/1289660354.db2.gz ZHABZVHEBSXTIB-UHFFFAOYSA-N 1 2 329.194 2.967 20 5 EFBDLO CC(C)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1COC1 ZINC000824472832 1289660364 /nfs/dbraw/zinc/66/03/64/1289660364.db2.gz ZHABZVHEBSXTIB-UHFFFAOYSA-N 1 2 329.194 2.967 20 5 EFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC(C)(C)CO ZINC000824630003 1289730262 /nfs/dbraw/zinc/73/02/62/1289730262.db2.gz HDYKRULPFFKCTB-UHFFFAOYSA-N 1 2 331.210 2.808 20 5 EFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC(C)(C)CO ZINC000824630003 1289730272 /nfs/dbraw/zinc/73/02/72/1289730272.db2.gz HDYKRULPFFKCTB-UHFFFAOYSA-N 1 2 331.210 2.808 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796171777 1292284459 /nfs/dbraw/zinc/28/44/59/1292284459.db2.gz NFZYHIQJRJBXHW-LBPRGKRZSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796171777 1292284466 /nfs/dbraw/zinc/28/44/66/1292284466.db2.gz NFZYHIQJRJBXHW-LBPRGKRZSA-N 1 2 339.367 2.835 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CF)C1 ZINC000880295149 1292439535 /nfs/dbraw/zinc/43/95/35/1292439535.db2.gz PLRXSRVFDAJCGR-UWVGGRQHSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CF)C1 ZINC000880295149 1292439542 /nfs/dbraw/zinc/43/95/42/1292439542.db2.gz PLRXSRVFDAJCGR-UWVGGRQHSA-N 1 2 329.759 2.867 20 5 EFBDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203571539 1312960086 /nfs/dbraw/zinc/96/00/86/1312960086.db2.gz LMIZTPVZUDZVRB-UHFFFAOYSA-N 1 2 340.343 2.885 20 5 EFBDLO CO[C@@H]1CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000800033132 1293890434 /nfs/dbraw/zinc/89/04/34/1293890434.db2.gz BAZMPCRMMIXUEJ-OLZOCXBDSA-N 1 2 331.328 2.505 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000886168085 1294748513 /nfs/dbraw/zinc/74/85/13/1294748513.db2.gz IGTHEIDSAOVSRH-UHFFFAOYSA-N 1 2 332.335 2.567 20 5 EFBDLO Cc1cccnc1OC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886174888 1294750638 /nfs/dbraw/zinc/75/06/38/1294750638.db2.gz LROAGJVNCLFMBV-UHFFFAOYSA-N 1 2 328.372 2.737 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886720125 1295120871 /nfs/dbraw/zinc/12/08/71/1295120871.db2.gz TYUSIFWRGNABFF-UHFFFAOYSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOC(=[NH2+])c1ccc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001234587539 1313163254 /nfs/dbraw/zinc/16/32/54/1313163254.db2.gz BDKUHAZNZJRXNH-NSHDSACASA-N 1 2 332.360 2.929 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927104050 1296991086 /nfs/dbraw/zinc/99/10/86/1296991086.db2.gz BUQGHRGMYRFIOU-UHFFFAOYSA-N 1 2 340.383 2.635 20 5 EFBDLO Cc1noc(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000852176048 1299578773 /nfs/dbraw/zinc/57/87/73/1299578773.db2.gz QUKXQXJYFSCYFV-UHFFFAOYSA-N 1 2 342.396 2.580 20 5 EFBDLO Cc1noc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000852176048 1299578775 /nfs/dbraw/zinc/57/87/75/1299578775.db2.gz QUKXQXJYFSCYFV-UHFFFAOYSA-N 1 2 342.396 2.580 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000776578097 1299616114 /nfs/dbraw/zinc/61/61/14/1299616114.db2.gz AWHGLPYBNVYRCX-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000776578097 1299616121 /nfs/dbraw/zinc/61/61/21/1299616121.db2.gz AWHGLPYBNVYRCX-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580336 1299626709 /nfs/dbraw/zinc/62/67/09/1299626709.db2.gz WYKADBPUNPQBIH-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580336 1299626717 /nfs/dbraw/zinc/62/67/17/1299626717.db2.gz WYKADBPUNPQBIH-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852498431 1299727481 /nfs/dbraw/zinc/72/74/81/1299727481.db2.gz HSOAILUYLKYFSU-LLVKDONJSA-N 1 2 335.187 2.749 20 5 EFBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852498431 1299727488 /nfs/dbraw/zinc/72/74/88/1299727488.db2.gz HSOAILUYLKYFSU-LLVKDONJSA-N 1 2 335.187 2.749 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776607858 1299781344 /nfs/dbraw/zinc/78/13/44/1299781344.db2.gz LCUNTBZAPUSOBT-MOPGFXCFSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776607858 1299781350 /nfs/dbraw/zinc/78/13/50/1299781350.db2.gz LCUNTBZAPUSOBT-MOPGFXCFSA-N 1 2 342.395 2.572 20 5 EFBDLO CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000111969129 1300454717 /nfs/dbraw/zinc/45/47/17/1300454717.db2.gz AHBITYZKCBOHDQ-HUUCEWRRSA-N 1 2 331.328 2.505 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000780766766 1301933955 /nfs/dbraw/zinc/93/39/55/1301933955.db2.gz IBHKQZHLZKPMEH-MRXNPFEDSA-N 1 2 330.388 2.576 20 5 EFBDLO C[C@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794619928 1302864277 /nfs/dbraw/zinc/86/42/77/1302864277.db2.gz MNWZHVNKQBJPMX-STQMWFEESA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794619928 1302864284 /nfs/dbraw/zinc/86/42/84/1302864284.db2.gz MNWZHVNKQBJPMX-STQMWFEESA-N 1 2 346.387 2.880 20 5 EFBDLO CC[N@H+](CC1CCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000794681997 1302923742 /nfs/dbraw/zinc/92/37/42/1302923742.db2.gz FTAUZYFQSFVEBO-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO CC[N@@H+](CC1CCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000794681997 1302923748 /nfs/dbraw/zinc/92/37/48/1302923748.db2.gz FTAUZYFQSFVEBO-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006868 1315132624 /nfs/dbraw/zinc/13/26/24/1315132624.db2.gz OZPISXZRLWIYCR-SECBINFHSA-N 1 2 326.221 2.990 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)sc2c1CCCC2 ZINC000800866334 1308575373 /nfs/dbraw/zinc/57/53/73/1308575373.db2.gz YCZIEDXKTORXCW-UHFFFAOYSA-N 1 2 347.440 2.829 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)sc2c1CCCC2 ZINC000800866334 1308575375 /nfs/dbraw/zinc/57/53/75/1308575375.db2.gz YCZIEDXKTORXCW-UHFFFAOYSA-N 1 2 347.440 2.829 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC001209932321 1314260771 /nfs/dbraw/zinc/26/07/71/1314260771.db2.gz OBWHEXXXTJJFCX-TXEJJXNPSA-N 1 2 343.387 2.929 20 5 EFBDLO O=[N+]([O-])c1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1O ZINC001210399310 1314326428 /nfs/dbraw/zinc/32/64/28/1314326428.db2.gz VPUREDVYAOMELD-UHFFFAOYSA-N 1 2 343.383 2.919 20 5 EFBDLO C[NH+]1CCN(Cc2ccccc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210401134 1314327507 /nfs/dbraw/zinc/32/75/07/1314327507.db2.gz PMRLSXWJLAECDY-UHFFFAOYSA-N 1 2 342.399 2.791 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000801524271 1310462074 /nfs/dbraw/zinc/46/20/74/1310462074.db2.gz HAQFDQYVYNSRPO-CABCVRRESA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000801524271 1310462076 /nfs/dbraw/zinc/46/20/76/1310462076.db2.gz HAQFDQYVYNSRPO-CABCVRRESA-N 1 2 344.408 2.522 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225919065 1311590573 /nfs/dbraw/zinc/59/05/73/1311590573.db2.gz OKBJILUDOUFWKD-SNVBAGLBSA-N 1 2 334.294 2.713 20 5 EFBDLO C[N@@H+]1CCO[C@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385696 1311659833 /nfs/dbraw/zinc/65/98/33/1311659833.db2.gz JIUWCFRDUVEZMA-INIZCTEOSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385696 1311659836 /nfs/dbraw/zinc/65/98/36/1311659836.db2.gz JIUWCFRDUVEZMA-INIZCTEOSA-N 1 2 328.368 2.971 20 5 EFBDLO COc1ccc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000780091936 1311662774 /nfs/dbraw/zinc/66/27/74/1311662774.db2.gz SIIBQQYGAVGRCU-KRWDZBQOSA-N 1 2 344.367 2.950 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001226582306 1311692966 /nfs/dbraw/zinc/69/29/66/1311692966.db2.gz JFEFPOUOSXTGPN-CYBMUJFWSA-N 1 2 327.178 2.830 20 5 EFBDLO C[NH+](C)[C@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000780092478 1311753783 /nfs/dbraw/zinc/75/37/83/1311753783.db2.gz ARIZOMQBANLWRI-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)n1 ZINC001213025647 1311771144 /nfs/dbraw/zinc/77/11/44/1311771144.db2.gz MDNCGUDSALGVHM-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[N@@H+]1CCC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306680 1311791428 /nfs/dbraw/zinc/79/14/28/1311791428.db2.gz LSMKXNYXKAKZJS-LLVKDONJSA-N 1 2 341.363 2.830 20 5 EFBDLO C[N@H+]1CCC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306680 1311791430 /nfs/dbraw/zinc/79/14/30/1311791430.db2.gz LSMKXNYXKAKZJS-LLVKDONJSA-N 1 2 341.363 2.830 20 5 EFBDLO C[NH+]1C(C)(C)CC(Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)CC1(C)C ZINC001227691397 1311839946 /nfs/dbraw/zinc/83/99/46/1311839946.db2.gz NQXMXQJEQNENNV-UHFFFAOYSA-N 1 2 333.392 2.896 20 5 EFBDLO Cc1[nH]c2ccc(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC001228328792 1311931307 /nfs/dbraw/zinc/93/13/07/1311931307.db2.gz ITBRRXZVFWETRY-KRWDZBQOSA-N 1 2 341.323 2.997 20 5 EFBDLO Cc1nc(O[C@@H]2C[NH+]3CCC2CC3)c(Br)cc1[N+](=O)[O-] ZINC001228621467 1311971367 /nfs/dbraw/zinc/97/13/67/1311971367.db2.gz UDMMKOSBYLMIEQ-GFCCVEGCSA-N 1 2 342.193 2.534 20 5 EFBDLO Cc1ccc(N2CCC[C@@H](Oc3cc(=O)[nH]c(C)c3[N+](=O)[O-])C2)[nH+]c1 ZINC001228689053 1311982409 /nfs/dbraw/zinc/98/24/09/1311982409.db2.gz OWCXAKFZWRRPMY-CYBMUJFWSA-N 1 2 344.371 2.755 20 5 EFBDLO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C2 ZINC001228861568 1312011834 /nfs/dbraw/zinc/01/18/34/1312011834.db2.gz FHUOUMRODLVMBN-BRPSZJMVSA-N 1 2 347.293 2.718 20 5 EFBDLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C2 ZINC001228861568 1312011835 /nfs/dbraw/zinc/01/18/35/1312011835.db2.gz FHUOUMRODLVMBN-BRPSZJMVSA-N 1 2 347.293 2.718 20 5 EFBDLO COc1cc[nH+]c(C(C)(C)CNc2ccc([N+](=O)[O-])c(OC)n2)c1 ZINC001162128550 1312052115 /nfs/dbraw/zinc/05/21/15/1312052115.db2.gz QEYSTZZHCLLGSW-UHFFFAOYSA-N 1 2 332.360 2.792 20 5 EFBDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001162877671 1312195458 /nfs/dbraw/zinc/19/54/58/1312195458.db2.gz MJIKDAGNGJWCKR-GFCCVEGCSA-N 1 2 342.827 2.802 20 5 EFBDLO C[NH+](C)/C=C/c1cc(N2CCC(=O)[C@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001163792232 1312385551 /nfs/dbraw/zinc/38/55/51/1312385551.db2.gz DZGFUGMSFLCBQS-LADOHOGBSA-N 1 2 344.415 2.860 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083213 1312426111 /nfs/dbraw/zinc/42/61/11/1312426111.db2.gz GDLMRDVPXPOGQX-LBPRGKRZSA-N 1 2 341.371 2.968 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[NH+](CCF)CC3)c2c1 ZINC001165103984 1312568287 /nfs/dbraw/zinc/56/82/87/1312568287.db2.gz YPDVLCNWLBNZKE-UHFFFAOYSA-N 1 2 338.770 2.888 20 5 EFBDLO O=[N+]([O-])c1ncccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001213172003 1314516514 /nfs/dbraw/zinc/51/65/14/1314516514.db2.gz LDCKNDSCHIXQEE-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1ncccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213172351 1314516764 /nfs/dbraw/zinc/51/67/64/1314516764.db2.gz VBXFASVJFQBGQD-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1cc(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])cc1Br ZINC001218234054 1315168039 /nfs/dbraw/zinc/16/80/39/1315168039.db2.gz RMGMCMJTALFENW-JTQLQIEISA-N 1 2 337.120 2.652 20 5 EFBDLO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218235697 1315168205 /nfs/dbraw/zinc/16/82/05/1315168205.db2.gz CBNLJGPQRFIUFY-GFCCVEGCSA-N 1 2 344.314 2.536 20 5 EFBDLO CCCCCOC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472710 1315707345 /nfs/dbraw/zinc/70/73/45/1315707345.db2.gz LCBLUOXLFAETCQ-UHFFFAOYSA-N 1 2 349.431 2.887 20 5 EFBDLO O=C1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1F ZINC001254476543 1315708116 /nfs/dbraw/zinc/70/81/16/1315708116.db2.gz RWRHWTCSDCYTLU-MRXNPFEDSA-N 1 2 335.379 2.567 20 5 EFBDLO O=C1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1F ZINC001254476543 1315708120 /nfs/dbraw/zinc/70/81/20/1315708120.db2.gz RWRHWTCSDCYTLU-MRXNPFEDSA-N 1 2 335.379 2.567 20 5 EFBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533246 1315720422 /nfs/dbraw/zinc/72/04/22/1315720422.db2.gz YUHSMYOYCMPDQR-YOEHRIQHSA-N 1 2 342.395 2.900 20 5 EFBDLO CC(C)c1nnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254563216 1315724226 /nfs/dbraw/zinc/72/42/26/1315724226.db2.gz VGVRPGYUSDESOB-CYBMUJFWSA-N 1 2 329.404 2.757 20 5 EFBDLO CC(C)c1nnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254563216 1315724227 /nfs/dbraw/zinc/72/42/27/1315724227.db2.gz VGVRPGYUSDESOB-CYBMUJFWSA-N 1 2 329.404 2.757 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039495312 1315842885 /nfs/dbraw/zinc/84/28/85/1315842885.db2.gz BBBMTVCRZMDVOK-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039495312 1315842889 /nfs/dbraw/zinc/84/28/89/1315842889.db2.gz BBBMTVCRZMDVOK-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001319637572 1328934840 /nfs/dbraw/zinc/93/48/40/1328934840.db2.gz APJDOULAADVYKJ-XHDPSFHLSA-N 1 2 332.385 2.627 20 5 EFBDLO CC(C)CNC(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001320071486 1329070021 /nfs/dbraw/zinc/07/00/21/1329070021.db2.gz OHSUVBUNKPJFPW-UHFFFAOYSA-N 1 2 348.428 2.580 20 5 EFBDLO C[C@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)n1cc[nH+]c1 ZINC001320209819 1329104204 /nfs/dbraw/zinc/10/42/04/1329104204.db2.gz LZFMNCABUCYEST-SNVBAGLBSA-N 1 2 338.327 2.856 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317703159 1328308991 /nfs/dbraw/zinc/30/89/91/1328308991.db2.gz WNKPRFVCDMZKIY-STQMWFEESA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317703159 1328308995 /nfs/dbraw/zinc/30/89/95/1328308995.db2.gz WNKPRFVCDMZKIY-STQMWFEESA-N 1 2 343.383 2.660 20 5 EFBDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC001323753824 1329568071 /nfs/dbraw/zinc/56/80/71/1329568071.db2.gz FFVALMZUPUEEAY-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO Cc1cc(C[N@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC001323753824 1329568073 /nfs/dbraw/zinc/56/80/73/1329568073.db2.gz FFVALMZUPUEEAY-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO CC(C)(C)c1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001331947089 1330895741 /nfs/dbraw/zinc/89/57/41/1330895741.db2.gz UMVAUGXSAKFMEE-UHFFFAOYSA-N 1 2 328.372 2.678 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001335431932 1331346866 /nfs/dbraw/zinc/34/68/66/1331346866.db2.gz JMBHFGQTLGUIHY-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001335431932 1331346868 /nfs/dbraw/zinc/34/68/68/1331346868.db2.gz JMBHFGQTLGUIHY-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC001344595257 1332465377 /nfs/dbraw/zinc/46/53/77/1332465377.db2.gz JDIZZPWYPSNCMF-UHFFFAOYSA-N 1 2 326.312 2.641 20 5 EFBDLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001344875736 1332490760 /nfs/dbraw/zinc/49/07/60/1332490760.db2.gz 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O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1C(F)(F)F ZINC001168369547 1107901690 /nfs/dbraw/zinc/90/16/90/1107901690.db2.gz DSYKEKVTSQOIGV-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1C(F)(F)F ZINC001168369547 1107901696 /nfs/dbraw/zinc/90/16/96/1107901696.db2.gz DSYKEKVTSQOIGV-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3cccnc3)no2)cc1-n1cc[nH+]c1 ZINC000904678938 1108089649 /nfs/dbraw/zinc/08/96/49/1108089649.db2.gz UVMWXNKHIPYLFZ-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO Cc1nn(C[NH+]2CCC(C(F)(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957864 1118916804 /nfs/dbraw/zinc/91/68/04/1118916804.db2.gz CPJAZCNPMQVWLH-UHFFFAOYSA-N 1 2 343.309 2.880 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccs2)CC1 ZINC000054128255 214217953 /nfs/dbraw/zinc/21/79/53/214217953.db2.gz KDCGIWMJXYTHLT-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2NC1=O ZINC000191889401 530004605 /nfs/dbraw/zinc/00/46/05/530004605.db2.gz PPGBNNHUNCDYST-KRWDZBQOSA-N 1 2 325.368 2.980 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2NC1=O ZINC000191889401 530004607 /nfs/dbraw/zinc/00/46/07/530004607.db2.gz PPGBNNHUNCDYST-KRWDZBQOSA-N 1 2 325.368 2.980 20 5 EFBDLO Cc1cc(NCC2(C)OCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000179468786 233070449 /nfs/dbraw/zinc/07/04/49/233070449.db2.gz NNFSLTZJMVTMAL-UHFFFAOYSA-N 1 2 330.344 2.535 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000032901513 202241096 /nfs/dbraw/zinc/24/10/96/202241096.db2.gz YTVJVQDFXWXMBJ-UHFFFAOYSA-N 1 2 344.758 2.868 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000189869264 237337084 /nfs/dbraw/zinc/33/70/84/237337084.db2.gz XTDHZSVPCIXKGS-ABAIWWIYSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(N2CC[C@H](C)[C@@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000189869241 237339685 /nfs/dbraw/zinc/33/96/85/237339685.db2.gz XTDHZSVPCIXKGS-NHYWBVRUSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000072836989 216313407 /nfs/dbraw/zinc/31/34/07/216313407.db2.gz GAOPCTOQGNSGSQ-HNNXBMFYSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072836989 216313409 /nfs/dbraw/zinc/31/34/09/216313409.db2.gz GAOPCTOQGNSGSQ-HNNXBMFYSA-N 1 2 337.445 2.915 20 5 EFBDLO CC1(CO)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000273870782 201263786 /nfs/dbraw/zinc/26/37/86/201263786.db2.gz OKGZGIRFNNZZIZ-UHFFFAOYSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000191930510 239388256 /nfs/dbraw/zinc/38/82/56/239388256.db2.gz IXRCJKMJYQAOSK-LBPRGKRZSA-N 1 2 346.412 2.748 20 5 EFBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177404127 239372329 /nfs/dbraw/zinc/37/23/29/239372329.db2.gz PCRHJLRYYIUOAP-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO CC1(C)C[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000190532381 239926196 /nfs/dbraw/zinc/92/61/96/239926196.db2.gz QTOTVDQQQISDGU-HNNXBMFYSA-N 1 2 347.415 2.590 20 5 EFBDLO CC(C)[NH+]1CC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000297013300 241108546 /nfs/dbraw/zinc/10/85/46/241108546.db2.gz HNTPOJWJCPIBPG-UHFFFAOYSA-N 1 2 335.407 2.916 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411858297 243000670 /nfs/dbraw/zinc/00/06/70/243000670.db2.gz CQGYDOWFSHGAGF-DOTOQJQBSA-N 1 2 342.374 2.807 20 5 EFBDLO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1occc1C ZINC000412029830 243079841 /nfs/dbraw/zinc/07/98/41/243079841.db2.gz VKBSJTIWXLAABV-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1occc1C ZINC000412029830 243079846 /nfs/dbraw/zinc/07/98/46/243079846.db2.gz VKBSJTIWXLAABV-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000412228289 243217119 /nfs/dbraw/zinc/21/71/19/243217119.db2.gz KPUWTVNLYCOJEM-ZNMIVQPWSA-N 1 2 326.356 2.785 20 5 EFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1C ZINC000414443759 244163327 /nfs/dbraw/zinc/16/33/27/244163327.db2.gz JHQSVMZNSYIFKO-UHFFFAOYSA-N 1 2 328.294 2.945 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000418935449 245315975 /nfs/dbraw/zinc/31/59/75/245315975.db2.gz AXRGVXVNIPZDLN-GOSISDBHSA-N 1 2 349.431 2.803 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419306984 245373105 /nfs/dbraw/zinc/37/31/05/245373105.db2.gz TVPUJMKGVXWJJD-UHFFFAOYSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000105350350 204144788 /nfs/dbraw/zinc/14/47/88/204144788.db2.gz RWLYTELAFYOIGX-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106872127 204217247 /nfs/dbraw/zinc/21/72/47/204217247.db2.gz KFPDPEMJUIRHJF-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106872127 204217251 /nfs/dbraw/zinc/21/72/51/204217251.db2.gz KFPDPEMJUIRHJF-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000106870402 204217498 /nfs/dbraw/zinc/21/74/98/204217498.db2.gz FOVGIEMYRUSKST-LLVKDONJSA-N 1 2 327.406 2.755 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000106870402 204217503 /nfs/dbraw/zinc/21/75/03/204217503.db2.gz FOVGIEMYRUSKST-LLVKDONJSA-N 1 2 327.406 2.755 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000125608860 205016632 /nfs/dbraw/zinc/01/66/32/205016632.db2.gz MDCIPWQRFKVIKH-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000125608860 205016637 /nfs/dbraw/zinc/01/66/37/205016637.db2.gz MDCIPWQRFKVIKH-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000127712510 205113932 /nfs/dbraw/zinc/11/39/32/205113932.db2.gz KEPYZORJACLFIZ-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000127712510 205113934 /nfs/dbraw/zinc/11/39/34/205113934.db2.gz KEPYZORJACLFIZ-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000127485196 205102794 /nfs/dbraw/zinc/10/27/94/205102794.db2.gz XFGGIWWWSKZREX-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000127485196 205102797 /nfs/dbraw/zinc/10/27/97/205102797.db2.gz XFGGIWWWSKZREX-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246112485 205176546 /nfs/dbraw/zinc/17/65/46/205176546.db2.gz LTWCIQFQLBSXCM-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246112485 205176548 /nfs/dbraw/zinc/17/65/48/205176548.db2.gz LTWCIQFQLBSXCM-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@]1(O)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129451614 205196270 /nfs/dbraw/zinc/19/62/70/205196270.db2.gz QNKMSEZDWCUNTA-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@]1(O)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129451614 205196273 /nfs/dbraw/zinc/19/62/73/205196273.db2.gz QNKMSEZDWCUNTA-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130340631 205235318 /nfs/dbraw/zinc/23/53/18/205235318.db2.gz XGDREASACBBSAH-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130340631 205235320 /nfs/dbraw/zinc/23/53/20/205235320.db2.gz XGDREASACBBSAH-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111277374 220131416 /nfs/dbraw/zinc/13/14/16/220131416.db2.gz VHQNGTGRAIYBOC-FZMZJTMJSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111277374 220131417 /nfs/dbraw/zinc/13/14/17/220131417.db2.gz VHQNGTGRAIYBOC-FZMZJTMJSA-N 1 2 332.360 2.644 20 5 EFBDLO O=C(C[N@@H+]1CCc2ccsc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000132979981 205351110 /nfs/dbraw/zinc/35/11/10/205351110.db2.gz RUTIXLCWCUKFIQ-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO O=C(C[N@H+]1CCc2ccsc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000132979981 205351115 /nfs/dbraw/zinc/35/11/15/205351115.db2.gz RUTIXLCWCUKFIQ-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134035422 205389347 /nfs/dbraw/zinc/38/93/47/205389347.db2.gz ROVRMGKMTQXPPS-QWRGUYRKSA-N 1 2 332.389 2.588 20 5 EFBDLO Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc(C)[nH+]1 ZINC000421581911 246024232 /nfs/dbraw/zinc/02/42/32/246024232.db2.gz ZPKADZCABFVGJW-UHFFFAOYSA-N 1 2 329.356 2.610 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000421744905 246093533 /nfs/dbraw/zinc/09/35/33/246093533.db2.gz QYMFSLCPRCCOIQ-UHFFFAOYSA-N 1 2 342.399 2.717 20 5 EFBDLO Cc1cnc(OCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000421838302 246136097 /nfs/dbraw/zinc/13/60/97/246136097.db2.gz UGZSQDWVORDSTE-UHFFFAOYSA-N 1 2 343.383 2.709 20 5 EFBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1)[NH+]1CCOCC1 ZINC000264272399 246272792 /nfs/dbraw/zinc/27/27/92/246272792.db2.gz SAJGWVDVTATDBU-GFCCVEGCSA-N 1 2 344.371 2.568 20 5 EFBDLO CCc1cc(NC[C@@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264351761 246389164 /nfs/dbraw/zinc/38/91/64/246389164.db2.gz XBRMSTHJMIXMKN-OAHLLOKOSA-N 1 2 328.372 2.797 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(CSCC[NH+]3CCOCC3)co2)cc1 ZINC000160040780 206275991 /nfs/dbraw/zinc/27/59/91/206275991.db2.gz QONYVXWVOFUVTH-UHFFFAOYSA-N 1 2 349.412 2.815 20 5 EFBDLO Cc1c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000160017946 206276791 /nfs/dbraw/zinc/27/67/91/206276791.db2.gz VUFCNLLSYMYXOF-ZDUSSCGKSA-N 1 2 341.371 2.699 20 5 EFBDLO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000425496060 247109464 /nfs/dbraw/zinc/10/94/64/247109464.db2.gz UJGBOUOFDHOFLW-VIFPVBQESA-N 1 2 339.193 2.942 20 5 EFBDLO Cc1ccnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265196197 247288578 /nfs/dbraw/zinc/28/85/78/247288578.db2.gz LUIFZCCSIFQJHW-MRXNPFEDSA-N 1 2 342.399 2.784 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000161325537 206342217 /nfs/dbraw/zinc/34/22/17/206342217.db2.gz BBFKFUSNXKCAQP-NSHDSACASA-N 1 2 346.774 2.652 20 5 EFBDLO Cc1cnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266240444 248196044 /nfs/dbraw/zinc/19/60/44/248196044.db2.gz WSWNMBBKXVNTRA-INIZCTEOSA-N 1 2 342.399 2.784 20 5 EFBDLO CCc1nsc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266527981 248346355 /nfs/dbraw/zinc/34/63/55/248346355.db2.gz FCVCZMRXOMDSPS-GFCCVEGCSA-N 1 2 347.444 2.892 20 5 EFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000443503943 250200614 /nfs/dbraw/zinc/20/06/14/250200614.db2.gz UFBPRBANRJPHCG-UHFFFAOYSA-N 1 2 329.385 2.933 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](n4cccn4)C3)nc2c1 ZINC000444613044 250316477 /nfs/dbraw/zinc/31/64/77/250316477.db2.gz SVGMMDWDHFYRCR-CYBMUJFWSA-N 1 2 326.360 2.505 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](n4cccn4)C3)nc2c1 ZINC000444613044 250316481 /nfs/dbraw/zinc/31/64/81/250316481.db2.gz SVGMMDWDHFYRCR-CYBMUJFWSA-N 1 2 326.360 2.505 20 5 EFBDLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000444730831 250337565 /nfs/dbraw/zinc/33/75/65/250337565.db2.gz IHMSSXLEKACOET-UHFFFAOYSA-N 1 2 331.347 2.773 20 5 EFBDLO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000444730831 250337570 /nfs/dbraw/zinc/33/75/70/250337570.db2.gz IHMSSXLEKACOET-UHFFFAOYSA-N 1 2 331.347 2.773 20 5 EFBDLO Cc1cc(NCCSCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000174730688 207051074 /nfs/dbraw/zinc/05/10/74/207051074.db2.gz ZXRRXFSMGHPZQV-UHFFFAOYSA-N 1 2 348.428 2.888 20 5 EFBDLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449389971 251009432 /nfs/dbraw/zinc/00/94/32/251009432.db2.gz FIWNRZHSALJXOC-SNVBAGLBSA-N 1 2 334.294 2.791 20 5 EFBDLO COc1cc(C[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449389971 251009436 /nfs/dbraw/zinc/00/94/36/251009436.db2.gz FIWNRZHSALJXOC-SNVBAGLBSA-N 1 2 334.294 2.791 20 5 EFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449563626 251068154 /nfs/dbraw/zinc/06/81/54/251068154.db2.gz XAYWNNRSNBRPAX-NSHDSACASA-N 1 2 334.376 2.679 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000175168478 207099605 /nfs/dbraw/zinc/09/96/05/207099605.db2.gz YVBLFORBCLEMGU-UHFFFAOYSA-N 1 2 349.431 2.684 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000175168478 207099609 /nfs/dbraw/zinc/09/96/09/207099609.db2.gz YVBLFORBCLEMGU-UHFFFAOYSA-N 1 2 349.431 2.684 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000267585841 251171442 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CO[C@](C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000359968231 148238101 /nfs/dbraw/zinc/23/81/01/148238101.db2.gz PALFCNPZPBVHGU-GOSISDBHSA-N 1 2 349.431 2.654 20 5 EFBDLO Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360083130 148266132 /nfs/dbraw/zinc/26/61/32/148266132.db2.gz ONASQFMVARBVCJ-BETUJISGSA-N 1 2 325.384 2.588 20 5 EFBDLO Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360083130 148266134 /nfs/dbraw/zinc/26/61/34/148266134.db2.gz ONASQFMVARBVCJ-BETUJISGSA-N 1 2 325.384 2.588 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000360527122 148383764 /nfs/dbraw/zinc/38/37/64/148383764.db2.gz WUAGZWVGNCVZJA-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000364389732 149140575 /nfs/dbraw/zinc/14/05/75/149140575.db2.gz VHCSKXVTJMMRRT-CQSZACIVSA-N 1 2 335.367 2.651 20 5 EFBDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000365007225 149295379 /nfs/dbraw/zinc/29/53/79/149295379.db2.gz BCZPUDPYQVIKEO-CYBMUJFWSA-N 1 2 336.417 2.666 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOCC4(CCC4)C3)n2)c1 ZINC000368727361 150190938 /nfs/dbraw/zinc/19/09/38/150190938.db2.gz IKKFYUQRKKDCFE-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOCC4(CCC4)C3)n2)c1 ZINC000368727361 150190941 /nfs/dbraw/zinc/19/09/41/150190941.db2.gz IKKFYUQRKKDCFE-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000372777961 151060882 /nfs/dbraw/zinc/06/08/82/151060882.db2.gz YSVAQBKPVDNOIH-GFCCVEGCSA-N 1 2 330.344 2.612 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000373021668 151099724 /nfs/dbraw/zinc/09/97/24/151099724.db2.gz GQGKASYAHNTPNT-UHFFFAOYSA-N 1 2 346.343 2.911 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)n1 ZINC000373241766 151139258 /nfs/dbraw/zinc/13/92/58/151139258.db2.gz KISUQHLINAQSEX-UHFFFAOYSA-N 1 2 333.417 2.962 20 5 EFBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000373705834 151213556 /nfs/dbraw/zinc/21/35/56/151213556.db2.gz NCHVIMUPYJLICM-UHFFFAOYSA-N 1 2 340.343 2.519 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000374050606 151275706 /nfs/dbraw/zinc/27/57/06/151275706.db2.gz NWAAYAZEACFLBY-HNNXBMFYSA-N 1 2 330.388 2.680 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000374050606 151275707 /nfs/dbraw/zinc/27/57/07/151275707.db2.gz NWAAYAZEACFLBY-HNNXBMFYSA-N 1 2 330.388 2.680 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378261951 152043528 /nfs/dbraw/zinc/04/35/28/152043528.db2.gz CQXWULUCYUQHTC-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408417643 152187967 /nfs/dbraw/zinc/18/79/67/152187967.db2.gz ZQXYANULPNGAGK-UMVBOHGHSA-N 1 2 347.415 2.778 20 5 EFBDLO C[C@@H](O)C[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429204256 287096484 /nfs/dbraw/zinc/09/64/84/287096484.db2.gz OKIGYGSYPDFMAF-VHSXEESVSA-N 1 2 348.230 2.793 20 5 EFBDLO C[C@@H](O)C[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429204256 287096485 /nfs/dbraw/zinc/09/64/85/287096485.db2.gz OKIGYGSYPDFMAF-VHSXEESVSA-N 1 2 348.230 2.793 20 5 EFBDLO O=C(NCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015961083 544427073 /nfs/dbraw/zinc/42/70/73/544427073.db2.gz KIQOBJLJDWFTLV-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO CNC(=O)c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000077982014 544476532 /nfs/dbraw/zinc/47/65/32/544476532.db2.gz PZHLEMNNOPXAPD-UHFFFAOYSA-N 1 2 338.323 2.932 20 5 EFBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041857 544540539 /nfs/dbraw/zinc/54/05/39/544540539.db2.gz NULISLRUDUBLKO-CHWSQXEVSA-N 1 2 348.424 2.905 20 5 EFBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041857 544540541 /nfs/dbraw/zinc/54/05/41/544540541.db2.gz NULISLRUDUBLKO-CHWSQXEVSA-N 1 2 348.424 2.905 20 5 EFBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514897 272981733 /nfs/dbraw/zinc/98/17/33/272981733.db2.gz WKTJTECTXZBBGM-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186329167 265061930 /nfs/dbraw/zinc/06/19/30/265061930.db2.gz JXTURTIDEMLPMP-UHFFFAOYSA-N 1 2 344.758 2.755 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(F)c1 ZINC000267066898 265494280 /nfs/dbraw/zinc/49/42/80/265494280.db2.gz UVOPKUVAHACYOU-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccnc2)CC1 ZINC000271640629 266028936 /nfs/dbraw/zinc/02/89/36/266028936.db2.gz ZSSMFHMMGCGBMW-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000271640629 266028938 /nfs/dbraw/zinc/02/89/38/266028938.db2.gz ZSSMFHMMGCGBMW-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO Cc1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000272481656 266278895 /nfs/dbraw/zinc/27/88/95/266278895.db2.gz CDEOTHIMPFZBDP-HNNXBMFYSA-N 1 2 327.344 2.504 20 5 EFBDLO CCn1cc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272492175 266281724 /nfs/dbraw/zinc/28/17/24/266281724.db2.gz DZZLLKGHUSEZEC-HNNXBMFYSA-N 1 2 326.360 2.746 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272545576 266303150 /nfs/dbraw/zinc/30/31/50/266303150.db2.gz PYOGKDICLZZWNQ-JKSUJKDBSA-N 1 2 346.431 2.804 20 5 EFBDLO CCCCOCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589587 266317638 /nfs/dbraw/zinc/31/76/38/266317638.db2.gz ZVFKRBJHSZLUHT-INIZCTEOSA-N 1 2 332.404 2.824 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272694497 266354060 /nfs/dbraw/zinc/35/40/60/266354060.db2.gz UYWNZKZPPSGRMF-HNNXBMFYSA-N 1 2 346.387 2.545 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272694497 266354063 /nfs/dbraw/zinc/35/40/63/266354063.db2.gz UYWNZKZPPSGRMF-HNNXBMFYSA-N 1 2 346.387 2.545 20 5 EFBDLO CCOc1cc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)ccc1[N+](=O)[O-] ZINC000276878729 267067218 /nfs/dbraw/zinc/06/72/18/267067218.db2.gz IPBDPHJQDDOPIM-LBPRGKRZSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOc1cc(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)ccc1[N+](=O)[O-] ZINC000276878729 267067222 /nfs/dbraw/zinc/06/72/22/267067222.db2.gz IPBDPHJQDDOPIM-LBPRGKRZSA-N 1 2 336.388 2.910 20 5 EFBDLO Cc1cc(NC[C@@H]2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016784 267099656 /nfs/dbraw/zinc/09/96/56/267099656.db2.gz YNOKITLHIJIKNE-DOMZBBRYSA-N 1 2 328.372 2.933 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000119295406 273017005 /nfs/dbraw/zinc/01/70/05/273017005.db2.gz XXKKNCLVGMYSFX-GXTWGEPZSA-N 1 2 328.372 2.540 20 5 EFBDLO CCOC1CC(CNc2c(C)cccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277819587 267272649 /nfs/dbraw/zinc/27/26/49/267272649.db2.gz ITZZMDHINAPDEO-UHFFFAOYSA-N 1 2 349.431 2.585 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc([N+](=O)[O-])c1 ZINC000277986089 267315761 /nfs/dbraw/zinc/31/57/61/267315761.db2.gz HPUKCWUMEACJSH-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc([N+](=O)[O-])c1 ZINC000277986089 267315763 /nfs/dbraw/zinc/31/57/63/267315763.db2.gz HPUKCWUMEACJSH-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000178270601 273039323 /nfs/dbraw/zinc/03/93/23/273039323.db2.gz LDFRPDHQSWNLFY-GFCCVEGCSA-N 1 2 331.338 2.972 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000269646459 273087394 /nfs/dbraw/zinc/08/73/94/273087394.db2.gz PJOKSSGTJRVLND-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO Cc1nc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000269636618 273086517 /nfs/dbraw/zinc/08/65/17/273086517.db2.gz HOMGJUROXLHVJH-HNNXBMFYSA-N 1 2 346.387 2.769 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc2c1OCO2 ZINC000271094944 273096616 /nfs/dbraw/zinc/09/66/16/273096616.db2.gz YGXRNTUEHSLRPG-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc2c1OCO2 ZINC000271094944 273096617 /nfs/dbraw/zinc/09/66/17/273096617.db2.gz YGXRNTUEHSLRPG-UHFFFAOYSA-N 1 2 330.340 2.964 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000274244031 273127212 /nfs/dbraw/zinc/12/72/12/273127212.db2.gz GXPHQJRLWIRORB-UHFFFAOYSA-N 1 2 343.387 2.994 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000274309075 273131536 /nfs/dbraw/zinc/13/15/36/273131536.db2.gz VXXZKVVIELYPJT-UHFFFAOYSA-N 1 2 329.360 2.840 20 5 EFBDLO CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000276689644 273140076 /nfs/dbraw/zinc/14/00/76/273140076.db2.gz PWOASXIIWOOLHZ-MRXNPFEDSA-N 1 2 341.371 2.855 20 5 EFBDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000279074314 273173624 /nfs/dbraw/zinc/17/36/24/273173624.db2.gz KRAAAAHLVNBMPR-VIFPVBQESA-N 1 2 347.400 2.649 20 5 EFBDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000279141168 273181321 /nfs/dbraw/zinc/18/13/21/273181321.db2.gz YFSIVYXYOVKMIM-SECBINFHSA-N 1 2 347.400 2.649 20 5 EFBDLO CCC(=O)c1ccc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280044147 273284309 /nfs/dbraw/zinc/28/43/09/273284309.db2.gz MOANGVZSZFKCAA-UHFFFAOYSA-N 1 2 335.404 2.710 20 5 EFBDLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280833437 273371870 /nfs/dbraw/zinc/37/18/70/273371870.db2.gz TZPNBTGPJKBATA-NSHDSACASA-N 1 2 341.358 2.749 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)C[C@@H](C)O1 ZINC000282239374 273533830 /nfs/dbraw/zinc/53/38/30/273533830.db2.gz SLBITIBFDZIJFK-NXEZZACHSA-N 1 2 335.389 2.804 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1F ZINC000283134883 273674790 /nfs/dbraw/zinc/67/47/90/273674790.db2.gz NPLRUOCXWPUESU-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000284293389 273820337 /nfs/dbraw/zinc/82/03/37/273820337.db2.gz YTKSTWRIYVCVQE-CYBMUJFWSA-N 1 2 335.316 2.882 20 5 EFBDLO CC1(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)OCCO1 ZINC000285667817 274049017 /nfs/dbraw/zinc/04/90/17/274049017.db2.gz PQZWKPXDHMZSRI-UHFFFAOYSA-N 1 2 342.342 2.848 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(OC)cccc1OC ZINC000286339030 274181413 /nfs/dbraw/zinc/18/14/13/274181413.db2.gz FCDIMMFCEPNVKK-UHFFFAOYSA-N 1 2 332.356 2.910 20 5 EFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCCC2)nc[nH+]1 ZINC000286396966 274192506 /nfs/dbraw/zinc/19/25/06/274192506.db2.gz HBTHWLLXERCAPB-UHFFFAOYSA-N 1 2 327.388 2.664 20 5 EFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCCC2)[nH+]cn1 ZINC000286396966 274192509 /nfs/dbraw/zinc/19/25/09/274192509.db2.gz HBTHWLLXERCAPB-UHFFFAOYSA-N 1 2 327.388 2.664 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286416136 274196866 /nfs/dbraw/zinc/19/68/66/274196866.db2.gz QPNWLRWSTMGSOY-WCQYABFASA-N 1 2 325.796 2.548 20 5 EFBDLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH]1 ZINC000286662954 274245770 /nfs/dbraw/zinc/24/57/70/274245770.db2.gz XDXLSQDDQGYNGQ-SNVBAGLBSA-N 1 2 339.359 2.960 20 5 EFBDLO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)[C@H](C)C1 ZINC000343280241 276204007 /nfs/dbraw/zinc/20/40/07/276204007.db2.gz FFNWJYODFBGJSR-SECBINFHSA-N 1 2 343.225 2.591 20 5 EFBDLO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)[C@H](C)C1 ZINC000343280241 276204009 /nfs/dbraw/zinc/20/40/09/276204009.db2.gz FFNWJYODFBGJSR-SECBINFHSA-N 1 2 343.225 2.591 20 5 EFBDLO COC(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413255803 277355847 /nfs/dbraw/zinc/35/58/47/277355847.db2.gz AOFXVMOREDOCDM-BXUZGUMPSA-N 1 2 329.356 2.778 20 5 EFBDLO COC(=O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000413255804 277397793 /nfs/dbraw/zinc/39/77/93/277397793.db2.gz AOFXVMOREDOCDM-FZMZJTMJSA-N 1 2 329.356 2.778 20 5 EFBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361602341 278336772 /nfs/dbraw/zinc/33/67/72/278336772.db2.gz JCWCOHFJIYMQQF-KRWDZBQOSA-N 1 2 338.379 2.894 20 5 EFBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361602341 278336773 /nfs/dbraw/zinc/33/67/73/278336773.db2.gz JCWCOHFJIYMQQF-KRWDZBQOSA-N 1 2 338.379 2.894 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248149 279049487 /nfs/dbraw/zinc/04/94/87/279049487.db2.gz ORCFIMZXHXQTGK-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248149 279049488 /nfs/dbraw/zinc/04/94/88/279049488.db2.gz ORCFIMZXHXQTGK-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351980903 279117950 /nfs/dbraw/zinc/11/79/50/279117950.db2.gz GAKTXYQRSZRGHS-IUODEOHRSA-N 1 2 339.823 2.543 20 5 EFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341591859 279130369 /nfs/dbraw/zinc/13/03/69/279130369.db2.gz QJTQLIKTTJQHDF-LLVKDONJSA-N 1 2 349.337 2.654 20 5 EFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341591859 279130371 /nfs/dbraw/zinc/13/03/71/279130371.db2.gz QJTQLIKTTJQHDF-LLVKDONJSA-N 1 2 349.337 2.654 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190062141 279246556 /nfs/dbraw/zinc/24/65/56/279246556.db2.gz WLBGRWJKJLKJSY-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000152636268 279246611 /nfs/dbraw/zinc/24/66/11/279246611.db2.gz KRRGYTYWKPGGIM-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153779865 279616586 /nfs/dbraw/zinc/61/65/86/279616586.db2.gz DNFILIMNVROHEW-GFCCVEGCSA-N 1 2 347.806 2.921 20 5 EFBDLO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000125758358 293015757 /nfs/dbraw/zinc/01/57/57/293015757.db2.gz JUOFOGVLOMQUBR-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000125758358 293015760 /nfs/dbraw/zinc/01/57/60/293015760.db2.gz JUOFOGVLOMQUBR-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128877685 293117369 /nfs/dbraw/zinc/11/73/69/293117369.db2.gz FSHLELHGEGWPEQ-UHFFFAOYSA-N 1 2 344.758 2.868 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000131382967 293194723 /nfs/dbraw/zinc/19/47/23/293194723.db2.gz GDQAPZDFSGBAQJ-GQCTYLIASA-N 1 2 346.362 2.916 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132897357 293240901 /nfs/dbraw/zinc/24/09/01/293240901.db2.gz SPCNNMHWDNNBME-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132897357 293240905 /nfs/dbraw/zinc/24/09/05/293240905.db2.gz SPCNNMHWDNNBME-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155957193 293493346 /nfs/dbraw/zinc/49/33/46/293493346.db2.gz LNZPZAKUQWDELZ-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000290469698 294095358 /nfs/dbraw/zinc/09/53/58/294095358.db2.gz GMMWVAJHWYZLNG-CYBMUJFWSA-N 1 2 343.387 2.528 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000290585509 294127133 /nfs/dbraw/zinc/12/71/33/294127133.db2.gz WMUYPGNMDZCYDT-SECBINFHSA-N 1 2 338.751 2.732 20 5 EFBDLO COCc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2[nH+]1 ZINC000290783240 294184057 /nfs/dbraw/zinc/18/40/57/294184057.db2.gz NGUHJXOCDBDRBZ-UHFFFAOYSA-N 1 2 345.334 2.737 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290943025 294226937 /nfs/dbraw/zinc/22/69/37/294226937.db2.gz KZDOTMBWPIBVOR-UHFFFAOYSA-N 1 2 348.378 2.969 20 5 EFBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293590101 295006025 /nfs/dbraw/zinc/00/60/25/295006025.db2.gz ULCDMPGSKIVRHG-ZDUSSCGKSA-N 1 2 345.321 2.666 20 5 EFBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293590101 295006028 /nfs/dbraw/zinc/00/60/28/295006028.db2.gz ULCDMPGSKIVRHG-ZDUSSCGKSA-N 1 2 345.321 2.666 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294278971 295139653 /nfs/dbraw/zinc/13/96/53/295139653.db2.gz STTUOYQCUOMXLT-UHFFFAOYSA-N 1 2 342.277 2.630 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000294597320 295191822 /nfs/dbraw/zinc/19/18/22/295191822.db2.gz XFQUXHIOYUUPLL-OAHLLOKOSA-N 1 2 348.378 2.600 20 5 EFBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000294793842 295228466 /nfs/dbraw/zinc/22/84/66/295228466.db2.gz KXQCJNCOPUOGEB-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(C[NH+]1CCC(CF)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295090095 295266920 /nfs/dbraw/zinc/26/69/20/295266920.db2.gz FYPMBZPFSYWRPD-UHFFFAOYSA-N 1 2 329.759 2.868 20 5 EFBDLO CCC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000295180974 295278882 /nfs/dbraw/zinc/27/88/82/295278882.db2.gz VSNYMORVIATTKS-CVEARBPZSA-N 1 2 332.404 2.822 20 5 EFBDLO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295574667 295343237 /nfs/dbraw/zinc/34/32/37/295343237.db2.gz ZWLQXYGUPOQYEV-HNNXBMFYSA-N 1 2 330.388 2.793 20 5 EFBDLO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295868009 295388607 /nfs/dbraw/zinc/38/86/07/295388607.db2.gz LFSXTGPFCNWOTE-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296170055 295435279 /nfs/dbraw/zinc/43/52/79/295435279.db2.gz LLASGIUEVKZCBQ-YXMGTMDOSA-N 1 2 340.383 2.951 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000373999145 301856824 /nfs/dbraw/zinc/85/68/24/301856824.db2.gz AHSCGLZYKZCDFP-AWEZNQCLSA-N 1 2 344.371 2.759 20 5 EFBDLO C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000296626371 310832025 /nfs/dbraw/zinc/83/20/25/310832025.db2.gz QSLSYLZXFWSCIU-LBPRGKRZSA-N 1 2 343.387 2.616 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000297810518 310931714 /nfs/dbraw/zinc/93/17/14/310931714.db2.gz TYAUKXGEHMLGAH-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297834873 310933540 /nfs/dbraw/zinc/93/35/40/310933540.db2.gz NPUVCCWZTOELEZ-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cccc[nH+]1 ZINC000298139006 310960962 /nfs/dbraw/zinc/96/09/62/310960962.db2.gz GQWUFQPJEHBZLA-GFCCVEGCSA-N 1 2 346.412 2.699 20 5 EFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000298652271 311011399 /nfs/dbraw/zinc/01/13/99/311011399.db2.gz OPOCCKZFADCYLF-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000298671512 311012945 /nfs/dbraw/zinc/01/29/45/311012945.db2.gz SSZZBVKJZRPWFW-UHFFFAOYSA-N 1 2 346.412 2.972 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298765396 311021670 /nfs/dbraw/zinc/02/16/70/311021670.db2.gz MCBZCEYKTWBSDD-OAHLLOKOSA-N 1 2 344.371 2.707 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298765396 311021672 /nfs/dbraw/zinc/02/16/72/311021672.db2.gz MCBZCEYKTWBSDD-OAHLLOKOSA-N 1 2 344.371 2.707 20 5 EFBDLO CCc1cc(N2CCC(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299096152 311050403 /nfs/dbraw/zinc/05/04/03/311050403.db2.gz XRJLVLFCORFJKJ-UHFFFAOYSA-N 1 2 326.356 2.784 20 5 EFBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299135154 311054901 /nfs/dbraw/zinc/05/49/01/311054901.db2.gz ZXRJGRLOTGAJTL-UHFFFAOYSA-N 1 2 343.387 2.628 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000299389527 311079879 /nfs/dbraw/zinc/07/98/79/311079879.db2.gz UAHOCYGNPRLQOM-UHFFFAOYSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000299389527 311079880 /nfs/dbraw/zinc/07/98/80/311079880.db2.gz UAHOCYGNPRLQOM-UHFFFAOYSA-N 1 2 343.330 2.662 20 5 EFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2OC)cc1OC ZINC000299508514 311091834 /nfs/dbraw/zinc/09/18/34/311091834.db2.gz SNOGNDJFWOXJCC-UHFFFAOYSA-N 1 2 347.327 2.658 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299696818 311111953 /nfs/dbraw/zinc/11/19/53/311111953.db2.gz YMICRQLVTADUQX-ZZXKWVIFSA-N 1 2 326.356 2.737 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301255917 311127630 /nfs/dbraw/zinc/12/76/30/311127630.db2.gz QVVPQBKXZRSWFN-UHFFFAOYSA-N 1 2 342.403 2.899 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301255917 311127632 /nfs/dbraw/zinc/12/76/32/311127632.db2.gz QVVPQBKXZRSWFN-UHFFFAOYSA-N 1 2 342.403 2.899 20 5 EFBDLO C[C@@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000301282936 311128833 /nfs/dbraw/zinc/12/88/33/311128833.db2.gz PEWXAQKGPAQHNP-GHMZBOCLSA-N 1 2 342.827 2.943 20 5 EFBDLO Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c(C)[nH+]1 ZINC000301431727 311136962 /nfs/dbraw/zinc/13/69/62/311136962.db2.gz GYGNPJDIAIAPPM-UHFFFAOYSA-N 1 2 327.388 2.637 20 5 EFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000301545215 311143379 /nfs/dbraw/zinc/14/33/79/311143379.db2.gz DSQHMXSKITVZCV-UHFFFAOYSA-N 1 2 338.408 2.737 20 5 EFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c[nH+]1 ZINC000301557753 311144545 /nfs/dbraw/zinc/14/45/45/311144545.db2.gz HYOGCXYLZSTVEP-UHFFFAOYSA-N 1 2 342.355 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NCC3CC3)[nH+]cn1)CC2 ZINC000301828177 311161084 /nfs/dbraw/zinc/16/10/84/311161084.db2.gz OAVSGICQYSEFGI-UHFFFAOYSA-N 1 2 325.372 2.769 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NCC3CC3)nc[nH+]1)CC2 ZINC000301828177 311161085 /nfs/dbraw/zinc/16/10/85/311161085.db2.gz OAVSGICQYSEFGI-UHFFFAOYSA-N 1 2 325.372 2.769 20 5 EFBDLO Cc1cc(N(C)C[C@@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839644 311161661 /nfs/dbraw/zinc/16/16/61/311161661.db2.gz XQFMWNNFMZJOCT-OAHLLOKOSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301848017 311162229 /nfs/dbraw/zinc/16/22/29/311162229.db2.gz NSZXWPXVPNJXEL-HOCLYGCPSA-N 1 2 342.399 2.957 20 5 EFBDLO Cc1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000302469710 311190636 /nfs/dbraw/zinc/19/06/36/311190636.db2.gz CNFSEPGRVIWTPF-MRXNPFEDSA-N 1 2 337.445 2.523 20 5 EFBDLO COC(=O)c1cnc(Nc2ccc([NH+](C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000302783915 311200779 /nfs/dbraw/zinc/20/07/79/311200779.db2.gz UMEAIEIYFRUOHN-UHFFFAOYSA-N 1 2 330.344 2.894 20 5 EFBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330790942 311334893 /nfs/dbraw/zinc/33/48/93/311334893.db2.gz AHCCLDHBNFWSNU-GFCCVEGCSA-N 1 2 325.796 2.739 20 5 EFBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330790942 311334896 /nfs/dbraw/zinc/33/48/96/311334896.db2.gz AHCCLDHBNFWSNU-GFCCVEGCSA-N 1 2 325.796 2.739 20 5 EFBDLO Cc1c(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000332204494 311470397 /nfs/dbraw/zinc/47/03/97/311470397.db2.gz WPKAGQWYFUXVLS-CQSZACIVSA-N 1 2 343.387 2.716 20 5 EFBDLO COc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332328546 311489497 /nfs/dbraw/zinc/48/94/97/311489497.db2.gz OXGPFYBYBWQOIZ-IUODEOHRSA-N 1 2 344.371 2.523 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1-n1cc[nH+]c1 ZINC000351118251 311855011 /nfs/dbraw/zinc/85/50/11/311855011.db2.gz YUDHPIHHJOOIGM-GFCCVEGCSA-N 1 2 341.327 2.725 20 5 EFBDLO COC(=O)[C@H]1CC12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413148230 312046711 /nfs/dbraw/zinc/04/67/11/312046711.db2.gz XRELXFFONWPZJS-OAHLLOKOSA-N 1 2 341.367 2.923 20 5 EFBDLO Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420629590 312376677 /nfs/dbraw/zinc/37/66/77/312376677.db2.gz PCZCVOHFQQEMFM-JSGCOSHPSA-N 1 2 342.399 2.815 20 5 EFBDLO COC(=O)Cc1ccc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420651945 312379270 /nfs/dbraw/zinc/37/92/70/312379270.db2.gz LJFWKFQUMFDAOV-UHFFFAOYSA-N 1 2 329.356 2.934 20 5 EFBDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449333230 312683433 /nfs/dbraw/zinc/68/34/33/312683433.db2.gz FXVJZOOUNMSVPK-NWDGAFQWSA-N 1 2 334.376 2.796 20 5 EFBDLO Cc1cc(NC[C@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450830388 312754477 /nfs/dbraw/zinc/75/44/77/312754477.db2.gz QBOSALJRJVYCMQ-ZBFHGGJFSA-N 1 2 342.399 2.745 20 5 EFBDLO CC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)CC ZINC000450862537 312760843 /nfs/dbraw/zinc/76/08/43/312760843.db2.gz QYFXGDIOFMUOBY-CABCVRRESA-N 1 2 330.388 2.744 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000451174677 312812531 /nfs/dbraw/zinc/81/25/31/312812531.db2.gz FELGXSFUMCKSLU-GFCCVEGCSA-N 1 2 346.412 2.748 20 5 EFBDLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458133456 313076696 /nfs/dbraw/zinc/07/66/96/313076696.db2.gz PGZUHJJXXPFKBJ-DOTOQJQBSA-N 1 2 328.372 2.945 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000483379849 313312438 /nfs/dbraw/zinc/31/24/38/313312438.db2.gz HRHQSPUAQYFVQN-UHFFFAOYSA-N 1 2 333.388 2.974 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000483379849 313312441 /nfs/dbraw/zinc/31/24/41/313312441.db2.gz HRHQSPUAQYFVQN-UHFFFAOYSA-N 1 2 333.388 2.974 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCc1cn2c([nH+]1)CCCC2 ZINC000491447691 313749054 /nfs/dbraw/zinc/74/90/54/313749054.db2.gz DPCDDILTVYIQGE-FNORWQNLSA-N 1 2 344.346 2.596 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492413079 313981653 /nfs/dbraw/zinc/98/16/53/313981653.db2.gz XASSQLSMSNFDGR-AATRIKPKSA-N 1 2 334.763 2.794 20 5 EFBDLO CCOc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000492506780 314018017 /nfs/dbraw/zinc/01/80/17/314018017.db2.gz CPNOFLRUWZKQQI-UHFFFAOYSA-N 1 2 345.399 2.904 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844563 314149428 /nfs/dbraw/zinc/14/94/28/314149428.db2.gz DRFHIQHVYMNWMO-IUODEOHRSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844563 314149430 /nfs/dbraw/zinc/14/94/30/314149430.db2.gz DRFHIQHVYMNWMO-IUODEOHRSA-N 1 2 336.388 2.767 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000493250160 314291594 /nfs/dbraw/zinc/29/15/94/314291594.db2.gz HYJZUTQCRREQBE-VGOKWCNXSA-N 1 2 339.351 2.683 20 5 EFBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493272059 314299795 /nfs/dbraw/zinc/29/97/95/314299795.db2.gz UHMBOUDQIOEMIW-HSBSLETESA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493272061 314299817 /nfs/dbraw/zinc/29/98/17/314299817.db2.gz UHMBOUDQIOEMIW-WBTMPAOCSA-N 1 2 326.356 2.737 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493345920 314322981 /nfs/dbraw/zinc/32/29/81/314322981.db2.gz ALTYIUQQDKYMFW-XOIDGJRKSA-N 1 2 332.335 2.841 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000497185951 315341489 /nfs/dbraw/zinc/34/14/89/315341489.db2.gz UCIQSPSRSJJBOH-JTQLQIEISA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000497185951 315341491 /nfs/dbraw/zinc/34/14/91/315341491.db2.gz UCIQSPSRSJJBOH-JTQLQIEISA-N 1 2 327.768 2.521 20 5 EFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000518476646 315814182 /nfs/dbraw/zinc/81/41/82/315814182.db2.gz DOQLNIHNSBKWQY-UHFFFAOYSA-N 1 2 349.416 2.628 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000521403931 316020431 /nfs/dbraw/zinc/02/04/31/316020431.db2.gz PJHSHGXPSRRYFI-TZMCWYRMSA-N 1 2 349.412 2.911 20 5 EFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000522136172 316072802 /nfs/dbraw/zinc/07/28/02/316072802.db2.gz LDGHDENDCJXZLX-UHFFFAOYSA-N 1 2 340.343 2.519 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ncccc1F ZINC000530534029 317143154 /nfs/dbraw/zinc/14/31/54/317143154.db2.gz RDMUFEJMXNBGCS-UHFFFAOYSA-N 1 2 346.362 2.573 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000531203160 317235119 /nfs/dbraw/zinc/23/51/19/317235119.db2.gz YYLBGOSWHIEYSL-CQSZACIVSA-N 1 2 345.403 2.940 20 5 EFBDLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000532224738 317371340 /nfs/dbraw/zinc/37/13/40/317371340.db2.gz YIZGXMAHXDNHBD-MRVPVSSYSA-N 1 2 325.166 2.931 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000533475501 317506764 /nfs/dbraw/zinc/50/67/64/317506764.db2.gz WZPFLISQQZAMDF-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCCn1cc[nH+]c1 ZINC000539843179 317732851 /nfs/dbraw/zinc/73/28/51/317732851.db2.gz SDUJGVYTTIQLSB-UHFFFAOYSA-N 1 2 330.388 2.927 20 5 EFBDLO Cc1noc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000548180340 318081814 /nfs/dbraw/zinc/08/18/14/318081814.db2.gz UGKHXTVERTXRBQ-LLVKDONJSA-N 1 2 342.359 2.542 20 5 EFBDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000548180340 318081816 /nfs/dbraw/zinc/08/18/16/318081816.db2.gz UGKHXTVERTXRBQ-LLVKDONJSA-N 1 2 342.359 2.542 20 5 EFBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548414151 318105689 /nfs/dbraw/zinc/10/56/89/318105689.db2.gz RANKABZFKSSBHL-UHFFFAOYSA-N 1 2 325.284 2.758 20 5 EFBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555295816 318351982 /nfs/dbraw/zinc/35/19/82/318351982.db2.gz BXRKLRCIAVTVTC-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555295816 318351985 /nfs/dbraw/zinc/35/19/85/318351985.db2.gz BXRKLRCIAVTVTC-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000555364853 318354886 /nfs/dbraw/zinc/35/48/86/318354886.db2.gz ZUENQLBUCYXGMG-LBPRGKRZSA-N 1 2 334.294 2.844 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000555364853 318354888 /nfs/dbraw/zinc/35/48/88/318354888.db2.gz ZUENQLBUCYXGMG-LBPRGKRZSA-N 1 2 334.294 2.844 20 5 EFBDLO COC(=O)Cc1ccc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000556201457 318383682 /nfs/dbraw/zinc/38/36/82/318383682.db2.gz FYCFUQNYFMIWTE-UHFFFAOYSA-N 1 2 329.356 2.668 20 5 EFBDLO Cn1c[nH+]c(CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC000564338793 318856225 /nfs/dbraw/zinc/85/62/25/318856225.db2.gz VOVPINFOYYHGGN-ZDUSSCGKSA-N 1 2 328.294 2.764 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565107925 318934411 /nfs/dbraw/zinc/93/44/11/318934411.db2.gz QBSLDWACPUJFAK-UHFFFAOYSA-N 1 2 334.401 2.770 20 5 EFBDLO CC(C)(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000565108095 318934532 /nfs/dbraw/zinc/93/45/32/318934532.db2.gz ZJLYXLYDWBMOFH-UHFFFAOYSA-N 1 2 329.360 2.557 20 5 EFBDLO C[C@@H]1CC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000566777221 319108999 /nfs/dbraw/zinc/10/89/99/319108999.db2.gz ADZIQPSKLDMIKP-ZIAGYGMSSA-N 1 2 349.431 2.795 20 5 EFBDLO CC(C)Oc1nc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000568664395 319307457 /nfs/dbraw/zinc/30/74/57/319307457.db2.gz RURHOMLQRDMJAP-UHFFFAOYSA-N 1 2 345.403 2.946 20 5 EFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000568970283 319335265 /nfs/dbraw/zinc/33/52/65/319335265.db2.gz FFARLEAIINEQOD-ZDUSSCGKSA-N 1 2 343.383 2.917 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1(C)C ZINC000569506748 319387880 /nfs/dbraw/zinc/38/78/80/319387880.db2.gz CRSKHYUIMIGEIS-UHFFFAOYSA-N 1 2 333.413 2.976 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1(C)C ZINC000569506748 319387882 /nfs/dbraw/zinc/38/78/82/319387882.db2.gz CRSKHYUIMIGEIS-UHFFFAOYSA-N 1 2 333.413 2.976 20 5 EFBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000574257547 319845163 /nfs/dbraw/zinc/84/51/63/319845163.db2.gz PGDJNYYGIXBGAQ-GOSISDBHSA-N 1 2 343.383 2.917 20 5 EFBDLO Cc1ccn2cc(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000575176644 319931984 /nfs/dbraw/zinc/93/19/84/319931984.db2.gz UCGDIRLEGSZYGO-CYBMUJFWSA-N 1 2 338.367 2.971 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000578764795 320238106 /nfs/dbraw/zinc/23/81/06/320238106.db2.gz TUQWLAUVNXJFGT-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346917 323212741 /nfs/dbraw/zinc/21/27/41/323212741.db2.gz MCORMYDNYZJSQY-AWEZNQCLSA-N 1 2 327.384 2.732 20 5 EFBDLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346917 323212743 /nfs/dbraw/zinc/21/27/43/323212743.db2.gz MCORMYDNYZJSQY-AWEZNQCLSA-N 1 2 327.384 2.732 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000185002599 323379942 /nfs/dbraw/zinc/37/99/42/323379942.db2.gz IOQKGMHBNUHMKJ-NSHDSACASA-N 1 2 334.401 2.957 20 5 EFBDLO Cc1cnc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185324400 323388872 /nfs/dbraw/zinc/38/88/72/323388872.db2.gz NVSJGNGLWBHVGM-CQSZACIVSA-N 1 2 346.412 2.700 20 5 EFBDLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000185509815 323391469 /nfs/dbraw/zinc/39/14/69/323391469.db2.gz MAYIOURXYBHYTP-NSHDSACASA-N 1 2 342.330 2.802 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1Cn1c2ccccc2[nH+]c1NCCO ZINC000505631166 448123486 /nfs/dbraw/zinc/12/34/86/448123486.db2.gz JENLLSZZXMUPCV-UHFFFAOYSA-N 1 2 330.319 2.536 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000535592829 468316033 /nfs/dbraw/zinc/31/60/33/468316033.db2.gz MFXSHMHSPGRVEE-CQSZACIVSA-N 1 2 342.399 2.789 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000535592829 468316035 /nfs/dbraw/zinc/31/60/35/468316035.db2.gz MFXSHMHSPGRVEE-CQSZACIVSA-N 1 2 342.399 2.789 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)nc1 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/nfs/dbraw/zinc/33/87/10/472338710.db2.gz XRGKTYAAXKOQCD-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc([N+](=O)[O-])c1 ZINC000045014732 472364909 /nfs/dbraw/zinc/36/49/09/472364909.db2.gz PGHDKVMWFBPAAT-UHFFFAOYSA-N 1 2 342.380 2.831 20 5 EFBDLO O=[N+]([O-])c1c(NCc2ccc(N3CCCC3)[nH+]c2)nc2sccn21 ZINC000045026507 472366082 /nfs/dbraw/zinc/36/60/82/472366082.db2.gz PAEOYPYTSRLXTN-UHFFFAOYSA-N 1 2 344.400 2.911 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000088702803 472381301 /nfs/dbraw/zinc/38/13/01/472381301.db2.gz CRVRQVUWOBDOJY-MRXNPFEDSA-N 1 2 337.445 2.523 20 5 EFBDLO CCN(CC)c1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000076799600 472405562 /nfs/dbraw/zinc/40/55/62/472405562.db2.gz ZYPAJGCWSFOROS-UHFFFAOYSA-N 1 2 343.387 2.547 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000057267817 472407278 /nfs/dbraw/zinc/40/72/78/472407278.db2.gz XQZIDEQUKYUNBC-VURMDHGXSA-N 1 2 336.351 2.881 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cn2c1 ZINC000057267892 472408154 /nfs/dbraw/zinc/40/81/54/472408154.db2.gz DLVXODQMRBZCRA-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000057373009 472421983 /nfs/dbraw/zinc/42/19/83/472421983.db2.gz JDKQLFNYZQPQPK-CYBMUJFWSA-N 1 2 331.376 2.632 20 5 EFBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128392405 472446129 /nfs/dbraw/zinc/44/61/29/472446129.db2.gz GLSXIQGNOWONLP-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128392405 472446134 /nfs/dbraw/zinc/44/61/34/472446134.db2.gz GLSXIQGNOWONLP-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000154635581 472454402 /nfs/dbraw/zinc/45/44/02/472454402.db2.gz AILSONPYHDVFKE-UHFFFAOYSA-N 1 2 331.328 2.714 20 5 EFBDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000057731320 472469519 /nfs/dbraw/zinc/46/95/19/472469519.db2.gz VITAOZUVMPWJQY-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000057838277 472482103 /nfs/dbraw/zinc/48/21/03/472482103.db2.gz ZDKNTNGARXMLCS-NSHDSACASA-N 1 2 346.353 2.661 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000070666849 472501176 /nfs/dbraw/zinc/50/11/76/472501176.db2.gz DHVZOQMGFCVTRY-UHFFFAOYSA-N 1 2 346.774 2.606 20 5 EFBDLO COC(=O)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000119146010 472530646 /nfs/dbraw/zinc/53/06/46/472530646.db2.gz OZZOHRLCVRVXSE-MRXNPFEDSA-N 1 2 347.371 2.580 20 5 EFBDLO CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000046385995 472553904 /nfs/dbraw/zinc/55/39/04/472553904.db2.gz SSXBULHSHGGQKG-UHFFFAOYSA-N 1 2 334.763 2.639 20 5 EFBDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000155474981 472554832 /nfs/dbraw/zinc/55/48/32/472554832.db2.gz HHZPUDIVSBAARP-UHFFFAOYSA-N 1 2 348.403 2.767 20 5 EFBDLO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccoc1 ZINC000102408373 472576545 /nfs/dbraw/zinc/57/65/45/472576545.db2.gz LELLNLTXSFYYJC-UHFFFAOYSA-N 1 2 329.356 2.599 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccoc1 ZINC000102408373 472576546 /nfs/dbraw/zinc/57/65/46/472576546.db2.gz LELLNLTXSFYYJC-UHFFFAOYSA-N 1 2 329.356 2.599 20 5 EFBDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119815512 472585751 /nfs/dbraw/zinc/58/57/51/472585751.db2.gz QVPCZGXFJATTJJ-KBPBESRZSA-N 1 2 335.404 2.669 20 5 EFBDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119815512 472585756 /nfs/dbraw/zinc/58/57/56/472585756.db2.gz QVPCZGXFJATTJJ-KBPBESRZSA-N 1 2 335.404 2.669 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000059854150 472630836 /nfs/dbraw/zinc/63/08/36/472630836.db2.gz UGISMLWVYQHFNE-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000077975053 472646204 /nfs/dbraw/zinc/64/62/04/472646204.db2.gz DKKYFXIDEVKLAF-INIZCTEOSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000077975053 472646210 /nfs/dbraw/zinc/64/62/10/472646210.db2.gz DKKYFXIDEVKLAF-INIZCTEOSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cn2c1 ZINC000060403265 472651884 /nfs/dbraw/zinc/65/18/84/472651884.db2.gz GHPSHKZAWQVUEI-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131218796 472656036 /nfs/dbraw/zinc/65/60/36/472656036.db2.gz OYODZZOMPKYCIO-HNNXBMFYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131218796 472656041 /nfs/dbraw/zinc/65/60/41/472656041.db2.gz OYODZZOMPKYCIO-HNNXBMFYSA-N 1 2 329.356 2.565 20 5 EFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000047273927 472681733 /nfs/dbraw/zinc/68/17/33/472681733.db2.gz AIKMDVSAJDKCEY-CQSZACIVSA-N 1 2 330.344 2.667 20 5 EFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000047273927 472681743 /nfs/dbraw/zinc/68/17/43/472681743.db2.gz AIKMDVSAJDKCEY-CQSZACIVSA-N 1 2 330.344 2.667 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000047273926 472681860 /nfs/dbraw/zinc/68/18/60/472681860.db2.gz AIKMDVSAJDKCEY-AWEZNQCLSA-N 1 2 330.344 2.667 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000047273926 472681867 /nfs/dbraw/zinc/68/18/67/472681867.db2.gz AIKMDVSAJDKCEY-AWEZNQCLSA-N 1 2 330.344 2.667 20 5 EFBDLO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000104766327 472691219 /nfs/dbraw/zinc/69/12/19/472691219.db2.gz IZZBSEWUQIASPX-SNVBAGLBSA-N 1 2 337.767 2.903 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000131763083 472691635 /nfs/dbraw/zinc/69/16/35/472691635.db2.gz BBBDMARBYUKWCW-UHFFFAOYSA-N 1 2 336.149 2.558 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccnc3Cl)C2)nc1 ZINC000072664921 472697014 /nfs/dbraw/zinc/69/70/14/472697014.db2.gz HVEKLNZMPJXTPW-GFCCVEGCSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccnc3Cl)C2)nc1 ZINC000072664921 472697017 /nfs/dbraw/zinc/69/70/17/472697017.db2.gz HVEKLNZMPJXTPW-GFCCVEGCSA-N 1 2 333.779 2.725 20 5 EFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000047417483 472706839 /nfs/dbraw/zinc/70/68/39/472706839.db2.gz BIRNCXKAKBIDGH-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO Cc1cnc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631125 472745922 /nfs/dbraw/zinc/74/59/22/472745922.db2.gz DXFPPYAEDQUKKL-CYBMUJFWSA-N 1 2 343.387 2.530 20 5 EFBDLO O=[N+]([O-])c1sccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000063256689 472762696 /nfs/dbraw/zinc/76/26/96/472762696.db2.gz FOULOGHIIIKPLT-UHFFFAOYSA-N 1 2 343.412 2.626 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCn1cc[nH+]c1 ZINC000091424974 472764096 /nfs/dbraw/zinc/76/40/96/472764096.db2.gz ORGNCEXMAWOPSF-UHFFFAOYSA-N 1 2 336.323 2.609 20 5 EFBDLO CCc1nn(C)c(NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000091731149 472799271 /nfs/dbraw/zinc/79/92/71/472799271.db2.gz LYAYLTHFOUPVDY-UHFFFAOYSA-N 1 2 328.376 2.501 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000064027502 472831959 /nfs/dbraw/zinc/83/19/59/472831959.db2.gz GFCWIKBDTGGTDV-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000048287957 472850793 /nfs/dbraw/zinc/85/07/93/472850793.db2.gz FCYLMZNAXXRYSX-OAHLLOKOSA-N 1 2 344.371 2.691 20 5 EFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000048287957 472850802 /nfs/dbraw/zinc/85/08/02/472850802.db2.gz FCYLMZNAXXRYSX-OAHLLOKOSA-N 1 2 344.371 2.691 20 5 EFBDLO CC(C)c1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000106462227 472855643 /nfs/dbraw/zinc/85/56/43/472855643.db2.gz RVDKSFDZPKOSLX-UHFFFAOYSA-N 1 2 327.388 2.835 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572227 472874122 /nfs/dbraw/zinc/87/41/22/472874122.db2.gz GNRIRQNRPPFFPV-HZPDHXFCSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572227 472874129 /nfs/dbraw/zinc/87/41/29/472874129.db2.gz GNRIRQNRPPFFPV-HZPDHXFCSA-N 1 2 348.424 2.981 20 5 EFBDLO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065142378 472902403 /nfs/dbraw/zinc/90/24/03/472902403.db2.gz URMSTDFJQDJZFJ-CHWSQXEVSA-N 1 2 349.431 2.787 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000107292398 472938827 /nfs/dbraw/zinc/93/88/27/472938827.db2.gz OOTCSGGAFBTETA-UHFFFAOYSA-N 1 2 337.339 2.951 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000158766505 472965681 /nfs/dbraw/zinc/96/56/81/472965681.db2.gz JQPXDRKALURUSV-UHFFFAOYSA-N 1 2 340.343 2.913 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)oc1C ZINC000065539604 472971265 /nfs/dbraw/zinc/97/12/65/472971265.db2.gz QZKUMSFYJHUZID-UHFFFAOYSA-N 1 2 344.415 2.826 20 5 EFBDLO Cc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000092789534 472986270 /nfs/dbraw/zinc/98/62/70/472986270.db2.gz VANFDNZGAWNGFU-UHFFFAOYSA-N 1 2 341.411 2.927 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000092789534 472986276 /nfs/dbraw/zinc/98/62/76/472986276.db2.gz VANFDNZGAWNGFU-UHFFFAOYSA-N 1 2 341.411 2.927 20 5 EFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050487906 472997590 /nfs/dbraw/zinc/99/75/90/472997590.db2.gz GKXDYLIHYQZYIB-UHFFFAOYSA-N 1 2 339.311 2.617 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000065859048 473020268 /nfs/dbraw/zinc/02/02/68/473020268.db2.gz ZNLNVQTVNOWRRS-UHFFFAOYSA-N 1 2 325.328 2.830 20 5 EFBDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065968891 473032804 /nfs/dbraw/zinc/03/28/04/473032804.db2.gz UBBMXSMDHJNUOX-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135188677 473034417 /nfs/dbraw/zinc/03/44/17/473034417.db2.gz TWOUCQDGWYAOJI-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093054963 473035317 /nfs/dbraw/zinc/03/53/17/473035317.db2.gz FZVRMNFOQAMWRJ-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093054963 473035324 /nfs/dbraw/zinc/03/53/24/473035324.db2.gz FZVRMNFOQAMWRJ-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COCc2ccco2)cc1 ZINC000051451847 473049958 /nfs/dbraw/zinc/04/99/58/473049958.db2.gz PZVXYWCDPGIZMG-OAHLLOKOSA-N 1 2 343.339 2.629 20 5 EFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000051531994 473054667 /nfs/dbraw/zinc/05/46/67/473054667.db2.gz OOIHAIPOXJEGPY-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000051531994 473054672 /nfs/dbraw/zinc/05/46/72/473054672.db2.gz OOIHAIPOXJEGPY-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000122767748 473055846 /nfs/dbraw/zinc/05/58/46/473055846.db2.gz UKIDGNKBGDNXGD-DOMZBBRYSA-N 1 2 344.371 2.523 20 5 EFBDLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000160188524 473095904 /nfs/dbraw/zinc/09/59/04/473095904.db2.gz QDDGDICJYCQKHE-UHFFFAOYSA-N 1 2 344.400 2.862 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245534 473095954 /nfs/dbraw/zinc/09/59/54/473095954.db2.gz NHUNIOBBLOFSQY-LBPRGKRZSA-N 1 2 346.362 2.966 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000052245930 473096010 /nfs/dbraw/zinc/09/60/10/473096010.db2.gz DFPKFZYQMMBTRJ-GFCCVEGCSA-N 1 2 346.362 2.966 20 5 EFBDLO CC(C)c1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093384713 473098748 /nfs/dbraw/zinc/09/87/48/473098748.db2.gz 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EFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115160107 473540529 /nfs/dbraw/zinc/54/05/29/473540529.db2.gz QGZWUUZKJVYXTD-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC(n4cc[nH+]c4)CC3)cc2N1 ZINC000170640100 473571267 /nfs/dbraw/zinc/57/12/67/473571267.db2.gz HKBPKZUHFMDJLN-UHFFFAOYSA-N 1 2 341.371 2.518 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127072439 473574497 /nfs/dbraw/zinc/57/44/97/473574497.db2.gz SGQQVGDQFCLWQH-OAHLLOKOSA-N 1 2 342.355 2.983 20 5 EFBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170689439 473587948 /nfs/dbraw/zinc/58/79/48/473587948.db2.gz DLODRHHEGKIGQM-HNNXBMFYSA-N 1 2 340.383 2.720 20 5 EFBDLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170689439 473587955 /nfs/dbraw/zinc/58/79/55/473587955.db2.gz DLODRHHEGKIGQM-HNNXBMFYSA-N 1 2 340.383 2.720 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2c(F)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000152670529 473588684 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2.624 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000192255203 473657829 /nfs/dbraw/zinc/65/78/29/473657829.db2.gz LEZQFIHVKBYWMU-UHFFFAOYSA-N 1 2 336.417 2.968 20 5 EFBDLO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)CC1 ZINC000186548247 473688819 /nfs/dbraw/zinc/68/88/19/473688819.db2.gz WAKJFDINNXQBQF-UHFFFAOYSA-N 1 2 347.415 2.637 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179559855 473694962 /nfs/dbraw/zinc/69/49/62/473694962.db2.gz DDACNMHEYXXZQB-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000179559855 473694964 /nfs/dbraw/zinc/69/49/64/473694964.db2.gz DDACNMHEYXXZQB-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634902 473698533 /nfs/dbraw/zinc/69/85/33/473698533.db2.gz RHPLXJPDWTWNOQ-QLFBSQMISA-N 1 2 333.432 2.920 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634902 473698535 /nfs/dbraw/zinc/69/85/35/473698535.db2.gz RHPLXJPDWTWNOQ-QLFBSQMISA-N 1 2 333.432 2.920 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173030797 473729297 /nfs/dbraw/zinc/72/92/97/473729297.db2.gz CMGFNHVYHIEUFA-UHFFFAOYSA-N 1 2 342.277 2.630 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000173049577 473733880 /nfs/dbraw/zinc/73/38/80/473733880.db2.gz YSOFFCVBISCTRH-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000179824836 473736374 /nfs/dbraw/zinc/73/63/74/473736374.db2.gz WYKDPDSLEKMAPF-CHWSQXEVSA-N 1 2 328.372 2.899 20 5 EFBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314391 473779482 /nfs/dbraw/zinc/77/94/82/473779482.db2.gz ROIUEAXFIIEBEG-LBPRGKRZSA-N 1 2 333.417 2.638 20 5 EFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000263665975 473799821 /nfs/dbraw/zinc/79/98/21/473799821.db2.gz DEUPUCKKHHSRRV-UHFFFAOYSA-N 1 2 339.355 2.750 20 5 EFBDLO Cc1cc(NCC(C)(C)OCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000288095797 473847730 /nfs/dbraw/zinc/84/77/30/473847730.db2.gz AJNNINWLAWDWAR-UHFFFAOYSA-N 1 2 346.387 2.560 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000269657023 473852737 /nfs/dbraw/zinc/85/27/37/473852737.db2.gz OXQKAZOVFHMYPB-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000269657023 473852744 /nfs/dbraw/zinc/85/27/44/473852744.db2.gz OXQKAZOVFHMYPB-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000288129827 473854489 /nfs/dbraw/zinc/85/44/89/473854489.db2.gz MIULUMTVAHFHQO-UHFFFAOYSA-N 1 2 333.392 2.776 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000269682037 473859186 /nfs/dbraw/zinc/85/91/86/473859186.db2.gz YKPCZLSCVUQCJL-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000269682037 473859191 /nfs/dbraw/zinc/85/91/91/473859191.db2.gz YKPCZLSCVUQCJL-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000269695036 473864973 /nfs/dbraw/zinc/86/49/73/473864973.db2.gz JQKQDXMJRVQVGP-SFHVURJKSA-N 1 2 345.374 2.590 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000194389817 473888965 /nfs/dbraw/zinc/88/89/65/473888965.db2.gz URYKASUGHNYDLM-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1Cn1cc[nH+]c1 ZINC000288274029 473894125 /nfs/dbraw/zinc/89/41/25/473894125.db2.gz ZJOSAURKMPGQKF-UHFFFAOYSA-N 1 2 340.387 2.977 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000194479757 473904623 /nfs/dbraw/zinc/90/46/23/473904623.db2.gz MVRWFQWWNDLASJ-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000194479757 473904628 /nfs/dbraw/zinc/90/46/28/473904628.db2.gz MVRWFQWWNDLASJ-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263959212 473919253 /nfs/dbraw/zinc/91/92/53/473919253.db2.gz VRABPPHPMOYYJV-JTQLQIEISA-N 1 2 334.763 2.991 20 5 EFBDLO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000174118902 473988080 /nfs/dbraw/zinc/98/80/80/473988080.db2.gz KTHWNVSIWSKPMU-UHFFFAOYSA-N 1 2 346.412 2.854 20 5 EFBDLO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000174118902 473988086 /nfs/dbraw/zinc/98/80/86/473988086.db2.gz KTHWNVSIWSKPMU-UHFFFAOYSA-N 1 2 346.412 2.854 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000264474955 474007057 /nfs/dbraw/zinc/00/70/57/474007057.db2.gz OQNZLKUXVJMPBI-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC(=O)N1C ZINC000282295063 474012659 /nfs/dbraw/zinc/01/26/59/474012659.db2.gz SHJNZKSFXDOOFA-ZDUSSCGKSA-N 1 2 336.391 2.609 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC(=O)N1C ZINC000282295063 474012667 /nfs/dbraw/zinc/01/26/67/474012667.db2.gz SHJNZKSFXDOOFA-ZDUSSCGKSA-N 1 2 336.391 2.609 20 5 EFBDLO CCn1ccnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244505 474013127 /nfs/dbraw/zinc/01/31/27/474013127.db2.gz LUWFJRDGYCGSJI-UHFFFAOYSA-N 1 2 330.388 2.855 20 5 EFBDLO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181935871 474070902 /nfs/dbraw/zinc/07/09/02/474070902.db2.gz FPKSELPBWGPLLB-UHFFFAOYSA-N 1 2 335.404 2.637 20 5 EFBDLO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181935871 474070909 /nfs/dbraw/zinc/07/09/09/474070909.db2.gz FPKSELPBWGPLLB-UHFFFAOYSA-N 1 2 335.404 2.637 20 5 EFBDLO CN(C)c1ncnc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282566124 474112438 /nfs/dbraw/zinc/11/24/38/474112438.db2.gz ZBNIHQXPUWDQBU-UHFFFAOYSA-N 1 2 349.822 2.779 20 5 EFBDLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282566124 474112443 /nfs/dbraw/zinc/11/24/43/474112443.db2.gz ZBNIHQXPUWDQBU-UHFFFAOYSA-N 1 2 349.822 2.779 20 5 EFBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000270439077 474119899 /nfs/dbraw/zinc/11/98/99/474119899.db2.gz FGRVYPVBNAPFLE-WFASDCNBSA-N 1 2 328.372 2.567 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182234818 474130086 /nfs/dbraw/zinc/13/00/86/474130086.db2.gz VTYOOTHDNQGSIZ-LBPRGKRZSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182234818 474130094 /nfs/dbraw/zinc/13/00/94/474130094.db2.gz VTYOOTHDNQGSIZ-LBPRGKRZSA-N 1 2 344.820 2.729 20 5 EFBDLO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O ZINC000289288549 474209943 /nfs/dbraw/zinc/20/99/43/474209943.db2.gz ABUDIYNUMJUBFR-NSHDSACASA-N 1 2 332.187 2.564 20 5 EFBDLO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O ZINC000289288549 474209950 /nfs/dbraw/zinc/20/99/50/474209950.db2.gz ABUDIYNUMJUBFR-NSHDSACASA-N 1 2 332.187 2.564 20 5 EFBDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000289345973 474232428 /nfs/dbraw/zinc/23/24/28/474232428.db2.gz GPGOXBCQGPGGSE-NSHDSACASA-N 1 2 332.187 2.612 20 5 EFBDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000289345973 474232432 /nfs/dbraw/zinc/23/24/32/474232432.db2.gz GPGOXBCQGPGGSE-NSHDSACASA-N 1 2 332.187 2.612 20 5 EFBDLO COCCCn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000282900824 474235567 /nfs/dbraw/zinc/23/55/67/474235567.db2.gz YUXZGJAROBDBQC-UHFFFAOYSA-N 1 2 344.415 2.992 20 5 EFBDLO COCCCn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000282900824 474235579 /nfs/dbraw/zinc/23/55/79/474235579.db2.gz YUXZGJAROBDBQC-UHFFFAOYSA-N 1 2 344.415 2.992 20 5 EFBDLO O=[N+]([O-])c1cncc(Br)c1NCCCCn1cc[nH+]c1 ZINC000226546154 474242584 /nfs/dbraw/zinc/24/25/84/474242584.db2.gz DJKIGVLLXOOEQC-UHFFFAOYSA-N 1 2 340.181 2.841 20 5 EFBDLO Cc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)s1 ZINC000283050243 474285231 /nfs/dbraw/zinc/28/52/31/474285231.db2.gz IWHGMFHOPHFSBC-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000283166814 474324699 /nfs/dbraw/zinc/32/46/99/474324699.db2.gz YQNOQNBAOARXJJ-KGLIPLIRSA-N 1 2 332.429 2.901 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265774218 474332950 /nfs/dbraw/zinc/33/29/50/474332950.db2.gz FLTMAJHBDJXCLK-QWHCGFSZSA-N 1 2 348.428 2.724 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265828748 474352235 /nfs/dbraw/zinc/35/22/35/474352235.db2.gz CISMBPSHRWZYJM-UHFFFAOYSA-N 1 2 334.397 2.630 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265828748 474352242 /nfs/dbraw/zinc/35/22/42/474352242.db2.gz CISMBPSHRWZYJM-UHFFFAOYSA-N 1 2 334.397 2.630 20 5 EFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676729 474373690 /nfs/dbraw/zinc/37/36/90/474373690.db2.gz VBMHHFWHMBGCCB-WBVHZDCISA-N 1 2 345.399 2.567 20 5 EFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676729 474373698 /nfs/dbraw/zinc/37/36/98/474373698.db2.gz VBMHHFWHMBGCCB-WBVHZDCISA-N 1 2 345.399 2.567 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000271043505 474382880 /nfs/dbraw/zinc/38/28/80/474382880.db2.gz ULAGZEIRLKWYBT-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccncc2)CC1 ZINC000271043505 474382886 /nfs/dbraw/zinc/38/28/86/474382886.db2.gz ULAGZEIRLKWYBT-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO Cc1c(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000265910617 474383054 /nfs/dbraw/zinc/38/30/54/474383054.db2.gz XPILIFMJLYLRBI-UHFFFAOYSA-N 1 2 348.424 2.939 20 5 EFBDLO Cc1c(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000265910617 474383058 /nfs/dbraw/zinc/38/30/58/474383058.db2.gz XPILIFMJLYLRBI-UHFFFAOYSA-N 1 2 348.424 2.939 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC000189463355 474406740 /nfs/dbraw/zinc/40/67/40/474406740.db2.gz OFWBMUVNLOGBBT-KRWDZBQOSA-N 1 2 332.331 2.531 20 5 EFBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000189467574 474407450 /nfs/dbraw/zinc/40/74/50/474407450.db2.gz GRDGEHDSNNUBKQ-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000189467574 474407456 /nfs/dbraw/zinc/40/74/56/474407456.db2.gz GRDGEHDSNNUBKQ-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000189467549 474408016 /nfs/dbraw/zinc/40/80/16/474408016.db2.gz GRDGEHDSNNUBKQ-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000189467549 474408023 /nfs/dbraw/zinc/40/80/23/474408023.db2.gz GRDGEHDSNNUBKQ-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CCc1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000289763292 474414625 /nfs/dbraw/zinc/41/46/25/474414625.db2.gz JDLGCIFNLSVWOK-UHFFFAOYSA-N 1 2 344.343 2.900 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289816410 474439559 /nfs/dbraw/zinc/43/95/59/474439559.db2.gz NUUNMKZFSBTCMJ-GHMZBOCLSA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289816410 474439563 /nfs/dbraw/zinc/43/95/63/474439563.db2.gz NUUNMKZFSBTCMJ-GHMZBOCLSA-N 1 2 327.331 2.899 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc(COC)n1 ZINC000289904875 474478426 /nfs/dbraw/zinc/47/84/26/474478426.db2.gz UKBPDASQYHAZLU-UHFFFAOYSA-N 1 2 337.401 2.886 20 5 EFBDLO COc1cc(C[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184199092 474484676 /nfs/dbraw/zinc/48/46/76/474484676.db2.gz NABNWKPBHJPUKM-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO COc1cc(C[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184199092 474484682 /nfs/dbraw/zinc/48/46/82/474484682.db2.gz NABNWKPBHJPUKM-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000184286023 474495247 /nfs/dbraw/zinc/49/52/47/474495247.db2.gz ONPZKEDODXINKW-UHFFFAOYSA-N 1 2 337.339 2.830 20 5 EFBDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000266849343 474502853 /nfs/dbraw/zinc/50/28/53/474502853.db2.gz QQRZWLOVZQTRCK-CQSZACIVSA-N 1 2 348.428 2.845 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276342521 474502962 /nfs/dbraw/zinc/50/29/62/474502962.db2.gz UISAKLWVSYSNNJ-LBPRGKRZSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276342521 474502965 /nfs/dbraw/zinc/50/29/65/474502965.db2.gz UISAKLWVSYSNNJ-LBPRGKRZSA-N 1 2 339.367 2.833 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000276383824 474521036 /nfs/dbraw/zinc/52/10/36/474521036.db2.gz HDCDUACFCDHJPS-MFKMUULPSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000276383824 474521042 /nfs/dbraw/zinc/52/10/42/474521042.db2.gz HDCDUACFCDHJPS-MFKMUULPSA-N 1 2 326.780 2.879 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190079896 474545205 /nfs/dbraw/zinc/54/52/05/474545205.db2.gz SGSDCSJSEBSIJC-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190079896 474545210 /nfs/dbraw/zinc/54/52/10/474545210.db2.gz SGSDCSJSEBSIJC-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284133924 474579934 /nfs/dbraw/zinc/57/99/34/474579934.db2.gz OIHRYVYTPUBPDW-NSHDSACASA-N 1 2 346.836 2.505 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284133924 474579937 /nfs/dbraw/zinc/57/99/37/474579937.db2.gz OIHRYVYTPUBPDW-NSHDSACASA-N 1 2 346.836 2.505 20 5 EFBDLO COC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271797943 474593083 /nfs/dbraw/zinc/59/30/83/474593083.db2.gz WCFLUVJHIZVFHZ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609131282 480114925 /nfs/dbraw/zinc/11/49/25/480114925.db2.gz LSBVFLKWIMDOMF-LBPRGKRZSA-N 1 2 346.412 2.991 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723549 474606418 /nfs/dbraw/zinc/60/64/18/474606418.db2.gz OERMPYGFMBYVMF-LZWOXQAQSA-N 1 2 348.399 2.910 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723549 474606421 /nfs/dbraw/zinc/60/64/21/474606421.db2.gz OERMPYGFMBYVMF-LZWOXQAQSA-N 1 2 348.399 2.910 20 5 EFBDLO CSc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131415 480115071 /nfs/dbraw/zinc/11/50/71/480115071.db2.gz OYYMMWISOFUJGQ-ZDUSSCGKSA-N 1 2 346.412 2.991 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131338 480115692 /nfs/dbraw/zinc/11/56/92/480115692.db2.gz NNNYHGICJFQQNV-AWEZNQCLSA-N 1 2 346.412 2.747 20 5 EFBDLO Cc1cc(N(C)C[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267279851 474636707 /nfs/dbraw/zinc/63/67/07/474636707.db2.gz OQIHKUUZWUYYEU-CYBMUJFWSA-N 1 2 328.372 2.833 20 5 EFBDLO CCc1cc(N[C@@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340790442 474669591 /nfs/dbraw/zinc/66/95/91/474669591.db2.gz XRVVQIHQQBLNAU-NWDGAFQWSA-N 1 2 330.388 2.607 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000305059387 474678099 /nfs/dbraw/zinc/67/80/99/474678099.db2.gz KLAZJNIOQWEBKC-KRWDZBQOSA-N 1 2 328.368 2.695 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000305059387 474678108 /nfs/dbraw/zinc/67/81/08/474678108.db2.gz KLAZJNIOQWEBKC-KRWDZBQOSA-N 1 2 328.368 2.695 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000292899248 474704574 /nfs/dbraw/zinc/70/45/74/474704574.db2.gz BTUJDWPHUWOGHH-NWDGAFQWSA-N 1 2 325.796 2.548 20 5 EFBDLO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338892145 474707790 /nfs/dbraw/zinc/70/77/90/474707790.db2.gz LWENJLXSQCEMIZ-UHFFFAOYSA-N 1 2 333.310 2.572 20 5 EFBDLO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338892145 474707805 /nfs/dbraw/zinc/70/78/05/474707805.db2.gz LWENJLXSQCEMIZ-UHFFFAOYSA-N 1 2 333.310 2.572 20 5 EFBDLO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000267933649 474714152 /nfs/dbraw/zinc/71/41/52/474714152.db2.gz NLKLEQFQMJLGEN-CQSZACIVSA-N 1 2 332.381 2.521 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291873786 474728031 /nfs/dbraw/zinc/72/80/31/474728031.db2.gz PWLDPGPERPSJMZ-ZDUSSCGKSA-N 1 2 344.358 2.832 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291873786 474728037 /nfs/dbraw/zinc/72/80/37/474728037.db2.gz PWLDPGPERPSJMZ-ZDUSSCGKSA-N 1 2 344.358 2.832 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000338927022 474740921 /nfs/dbraw/zinc/74/09/21/474740921.db2.gz VJVSOTNTFHKTAG-UHFFFAOYSA-N 1 2 347.440 2.722 20 5 EFBDLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000278626659 474743549 /nfs/dbraw/zinc/74/35/49/474743549.db2.gz GNHMEKOAOSZDPB-SNVBAGLBSA-N 1 2 334.328 2.834 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1c[nH+]c[nH]1)CC2 ZINC000284790792 474771482 /nfs/dbraw/zinc/77/14/82/474771482.db2.gz NZITVZOPPKQBKF-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1c[nH]c[nH+]1)CC2 ZINC000284790792 474771489 /nfs/dbraw/zinc/77/14/89/474771489.db2.gz NZITVZOPPKQBKF-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO COC[C@H](C)[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284831860 474788595 /nfs/dbraw/zinc/78/85/95/474788595.db2.gz QMASAZMZRHLOTB-VIFPVBQESA-N 1 2 329.194 2.750 20 5 EFBDLO COC[C@H](C)[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284831860 474788601 /nfs/dbraw/zinc/78/86/01/474788601.db2.gz QMASAZMZRHLOTB-VIFPVBQESA-N 1 2 329.194 2.750 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC3(CC2)OCCCO3)c(F)c1 ZINC000293067647 474796140 /nfs/dbraw/zinc/79/61/40/474796140.db2.gz SQWHUBIVVOSROQ-UHFFFAOYSA-N 1 2 328.315 2.602 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000311643884 474841269 /nfs/dbraw/zinc/84/12/69/474841269.db2.gz AHJOHBDNIPWSNW-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000311643884 474841279 /nfs/dbraw/zinc/84/12/79/474841279.db2.gz AHJOHBDNIPWSNW-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO CC[C@@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC ZINC000293173250 474853158 /nfs/dbraw/zinc/85/31/58/474853158.db2.gz NMPVLTRKQJWOJJ-QGZVFWFLSA-N 1 2 347.371 2.724 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1O ZINC000312897568 474853695 /nfs/dbraw/zinc/85/36/95/474853695.db2.gz XMTTUFGHPOUNAT-CYBMUJFWSA-N 1 2 343.221 2.950 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1O ZINC000312897568 474853703 /nfs/dbraw/zinc/85/37/03/474853703.db2.gz XMTTUFGHPOUNAT-CYBMUJFWSA-N 1 2 343.221 2.950 20 5 EFBDLO COc1ccc(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000268233559 474877417 /nfs/dbraw/zinc/87/74/17/474877417.db2.gz YYOBLUIDKLWJNQ-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1ccc(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000268233559 474877424 /nfs/dbraw/zinc/87/74/24/474877424.db2.gz YYOBLUIDKLWJNQ-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293297543 474914697 /nfs/dbraw/zinc/91/46/97/474914697.db2.gz DQEKTUHJNXVFMG-LLVKDONJSA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293297543 474914700 /nfs/dbraw/zinc/91/47/00/474914700.db2.gz DQEKTUHJNXVFMG-LLVKDONJSA-N 1 2 332.360 2.604 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000273509286 474936274 /nfs/dbraw/zinc/93/62/74/474936274.db2.gz WOUKNQQMURWEFP-UHFFFAOYSA-N 1 2 333.323 2.799 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268423781 474970177 /nfs/dbraw/zinc/97/01/77/474970177.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268423781 474970185 /nfs/dbraw/zinc/97/01/85/474970185.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268423781 474970191 /nfs/dbraw/zinc/97/01/91/474970191.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268423781 474970199 /nfs/dbraw/zinc/97/01/99/474970199.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268423781 474970203 /nfs/dbraw/zinc/97/02/03/474970203.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268423781 474970207 /nfs/dbraw/zinc/97/02/07/474970207.db2.gz DDVWLPWIMUVLAJ-CYBMUJFWSA-N 1 2 345.403 2.800 20 5 EFBDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285323315 474972971 /nfs/dbraw/zinc/97/29/71/474972971.db2.gz TXBNCDOTWLDMGE-XPTSAGLGSA-N 1 2 337.326 2.839 20 5 EFBDLO CC(C)c1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000292383624 474996144 /nfs/dbraw/zinc/99/61/44/474996144.db2.gz HTQCMPHPEDBPCR-UHFFFAOYSA-N 1 2 345.403 2.880 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc1 ZINC000273680930 475009399 /nfs/dbraw/zinc/00/93/99/475009399.db2.gz ZCSJRHCYLIFMMT-UHFFFAOYSA-N 1 2 328.376 2.772 20 5 EFBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000273731165 475032443 /nfs/dbraw/zinc/03/24/43/475032443.db2.gz TVUAPWZBWIFWTO-ZJUUUORDSA-N 1 2 349.416 2.741 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@](C)(O)C(F)(F)F ZINC000281155112 475093426 /nfs/dbraw/zinc/09/34/26/475093426.db2.gz BDHGFWAEPHBENR-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@](C)(O)C(F)(F)F ZINC000281155112 475093434 /nfs/dbraw/zinc/09/34/34/475093434.db2.gz BDHGFWAEPHBENR-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339263388 475097340 /nfs/dbraw/zinc/09/73/40/475097340.db2.gz GZYNQBGOJWEGKJ-XKQJLSEDSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC000339263388 475097344 /nfs/dbraw/zinc/09/73/44/475097344.db2.gz GZYNQBGOJWEGKJ-XKQJLSEDSA-N 1 2 349.431 2.661 20 5 EFBDLO Cc1cc(N2CCC(C)(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273921882 475118985 /nfs/dbraw/zinc/11/89/85/475118985.db2.gz ZQICDZLOPDXWBG-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000296067901 475185035 /nfs/dbraw/zinc/18/50/35/475185035.db2.gz QWTCNHCQOCKTOO-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2COC2)ccc1Br ZINC000296106630 475199268 /nfs/dbraw/zinc/19/92/68/475199268.db2.gz SDXGJAPJVLGOJA-UHFFFAOYSA-N 1 2 327.178 2.721 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2COC2)ccc1Br ZINC000296106630 475199271 /nfs/dbraw/zinc/19/92/71/475199271.db2.gz SDXGJAPJVLGOJA-UHFFFAOYSA-N 1 2 327.178 2.721 20 5 EFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000347324388 475230503 /nfs/dbraw/zinc/23/05/03/475230503.db2.gz FKQZRKOGVPWOJA-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000341700032 475231922 /nfs/dbraw/zinc/23/19/22/475231922.db2.gz ZJLORTIJUNVZKP-OAHLLOKOSA-N 1 2 339.355 2.691 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000361164145 475236366 /nfs/dbraw/zinc/23/63/66/475236366.db2.gz DKEMDKWWTUXWRB-UHFFFAOYSA-N 1 2 334.420 2.529 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(c2nc3sccn3c2[N+](=O)[O-])CC1(C)C ZINC000296258483 475242518 /nfs/dbraw/zinc/24/25/18/475242518.db2.gz JHXJIFTXTQAPEM-VIFPVBQESA-N 1 2 332.389 2.625 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341724487 475251811 /nfs/dbraw/zinc/25/18/11/475251811.db2.gz ZSELEEJCOXNRDP-HNNXBMFYSA-N 1 2 346.412 2.688 20 5 EFBDLO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403872 475258709 /nfs/dbraw/zinc/25/87/09/475258709.db2.gz YXJFXMKTWJNLGK-UHFFFAOYSA-N 1 2 341.358 2.611 20 5 EFBDLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403872 475258717 /nfs/dbraw/zinc/25/87/17/475258717.db2.gz YXJFXMKTWJNLGK-UHFFFAOYSA-N 1 2 341.358 2.611 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296365164 475283991 /nfs/dbraw/zinc/28/39/91/475283991.db2.gz UVORTAUZQMDECQ-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000296379963 475290090 /nfs/dbraw/zinc/29/00/90/475290090.db2.gz UBGYKSOVWCIHPF-ZDUSSCGKSA-N 1 2 331.332 2.824 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339674759 475398276 /nfs/dbraw/zinc/39/82/76/475398276.db2.gz AQQDVGAFWJDACC-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339674759 475398284 /nfs/dbraw/zinc/39/82/84/475398284.db2.gz AQQDVGAFWJDACC-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncn(-c2ccccc2)n1 ZINC000352559158 475411952 /nfs/dbraw/zinc/41/19/52/475411952.db2.gz BSZSHGRHCYQFRP-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncn(-c2ccccc2)n1 ZINC000352559158 475411964 /nfs/dbraw/zinc/41/19/64/475411964.db2.gz BSZSHGRHCYQFRP-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000348155541 475433907 /nfs/dbraw/zinc/43/39/07/475433907.db2.gz MSRLFZZIJMIALJ-CQSZACIVSA-N 1 2 329.360 2.910 20 5 EFBDLO CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000296792230 475479966 /nfs/dbraw/zinc/47/99/66/475479966.db2.gz OHQNTMGKOVRIKN-ZDUSSCGKSA-N 1 2 338.389 2.531 20 5 EFBDLO Cc1noc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345865286 475519649 /nfs/dbraw/zinc/51/96/49/475519649.db2.gz ZRWZPUIUSCLUNC-HNNXBMFYSA-N 1 2 332.360 2.544 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345865287 475519715 /nfs/dbraw/zinc/51/97/15/475519715.db2.gz ZRWZPUIUSCLUNC-OAHLLOKOSA-N 1 2 332.360 2.544 20 5 EFBDLO Cc1[nH+]c2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2n1C ZINC000354933733 475534979 /nfs/dbraw/zinc/53/49/79/475534979.db2.gz XMFRVNWPJZSBQF-UHFFFAOYSA-N 1 2 338.367 2.762 20 5 EFBDLO Cc1c(CNC(=O)NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000358271503 475548875 /nfs/dbraw/zinc/54/88/75/475548875.db2.gz FNJJYNHXKDWNKU-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000348275802 475551338 /nfs/dbraw/zinc/55/13/38/475551338.db2.gz JMUCRIMPJDVYBG-UHFFFAOYSA-N 1 2 326.312 2.894 20 5 EFBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)o1 ZINC000332242808 475572131 /nfs/dbraw/zinc/57/21/31/475572131.db2.gz AUHQTIPVDOUMDR-JTQLQIEISA-N 1 2 338.751 2.716 20 5 EFBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)o1 ZINC000332242808 475572139 /nfs/dbraw/zinc/57/21/39/475572139.db2.gz AUHQTIPVDOUMDR-JTQLQIEISA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)O1 ZINC000332242808 475572147 /nfs/dbraw/zinc/57/21/47/475572147.db2.gz AUHQTIPVDOUMDR-JTQLQIEISA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)O1 ZINC000332242808 475572155 /nfs/dbraw/zinc/57/21/55/475572155.db2.gz AUHQTIPVDOUMDR-JTQLQIEISA-N 1 2 338.751 2.716 20 5 EFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000361598887 475586658 /nfs/dbraw/zinc/58/66/58/475586658.db2.gz AMKPINVNJALKIW-UHFFFAOYSA-N 1 2 337.379 2.808 20 5 EFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000361598887 475586665 /nfs/dbraw/zinc/58/66/65/475586665.db2.gz AMKPINVNJALKIW-UHFFFAOYSA-N 1 2 337.379 2.808 20 5 EFBDLO Cc1noc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361603226 475589388 /nfs/dbraw/zinc/58/93/88/475589388.db2.gz PPKBQDDWYSFFFS-SNVBAGLBSA-N 1 2 342.359 2.538 20 5 EFBDLO COc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332328544 475603497 /nfs/dbraw/zinc/60/34/97/475603497.db2.gz OXGPFYBYBWQOIZ-DOMZBBRYSA-N 1 2 344.371 2.523 20 5 EFBDLO COc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332328549 475604111 /nfs/dbraw/zinc/60/41/11/475604111.db2.gz OXGPFYBYBWQOIZ-SWLSCSKDSA-N 1 2 344.371 2.523 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000332355091 475611591 /nfs/dbraw/zinc/61/15/91/475611591.db2.gz TYGXFVSRWXVBIR-CXAGYDPISA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000332355091 475611597 /nfs/dbraw/zinc/61/15/97/475611597.db2.gz TYGXFVSRWXVBIR-CXAGYDPISA-N 1 2 330.388 2.637 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000346516857 475627173 /nfs/dbraw/zinc/62/71/73/475627173.db2.gz GIXOOCRGBAKMBP-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000346516857 475627182 /nfs/dbraw/zinc/62/71/82/475627182.db2.gz GIXOOCRGBAKMBP-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO Cc1sc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000332423961 475632212 /nfs/dbraw/zinc/63/22/12/475632212.db2.gz SNXOACZIZFPSML-UHFFFAOYSA-N 1 2 346.412 2.631 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000358489002 475717461 /nfs/dbraw/zinc/71/74/61/475717461.db2.gz VSXZVQUMSAONLL-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO CCOC(=O)c1coc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000355176601 475719834 /nfs/dbraw/zinc/71/98/34/475719834.db2.gz NEQFHJQTGXSQHD-UHFFFAOYSA-N 1 2 344.327 2.531 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348540407 475741422 /nfs/dbraw/zinc/74/14/22/475741422.db2.gz GYKYZLQUFYJHEP-INIZCTEOSA-N 1 2 341.367 2.989 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348540407 475741427 /nfs/dbraw/zinc/74/14/27/475741427.db2.gz GYKYZLQUFYJHEP-INIZCTEOSA-N 1 2 341.367 2.989 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353182373 475750001 /nfs/dbraw/zinc/75/00/01/475750001.db2.gz NRMNCNZHMBLKSI-NSHDSACASA-N 1 2 341.314 2.622 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353182373 475750007 /nfs/dbraw/zinc/75/00/07/475750007.db2.gz NRMNCNZHMBLKSI-NSHDSACASA-N 1 2 341.314 2.622 20 5 EFBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000348550637 475752767 /nfs/dbraw/zinc/75/27/67/475752767.db2.gz GSDWJJALXWTFCZ-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000348550637 475752772 /nfs/dbraw/zinc/75/27/72/475752772.db2.gz GSDWJJALXWTFCZ-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH+]1 ZINC000348630008 475784683 /nfs/dbraw/zinc/78/46/83/475784683.db2.gz LQRLJFMGYBHWIK-UHFFFAOYSA-N 1 2 328.332 2.744 20 5 EFBDLO CCN1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000355333095 475836832 /nfs/dbraw/zinc/83/68/32/475836832.db2.gz PIXDBXSNFMSQSD-WVRJYTFGSA-N 1 2 341.415 2.710 20 5 EFBDLO CCN1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000355333095 475836840 /nfs/dbraw/zinc/83/68/40/475836840.db2.gz PIXDBXSNFMSQSD-WVRJYTFGSA-N 1 2 341.415 2.710 20 5 EFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000340227715 475869849 /nfs/dbraw/zinc/86/98/49/475869849.db2.gz BELFSQHPMVDICG-AWEZNQCLSA-N 1 2 329.385 2.696 20 5 EFBDLO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000358708458 475875018 /nfs/dbraw/zinc/87/50/18/475875018.db2.gz XXHUJTCJAWBXLL-GUTXKFCHSA-N 1 2 347.415 2.778 20 5 EFBDLO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000358708458 475875028 /nfs/dbraw/zinc/87/50/28/475875028.db2.gz XXHUJTCJAWBXLL-GUTXKFCHSA-N 1 2 347.415 2.778 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000343253165 475892245 /nfs/dbraw/zinc/89/22/45/475892245.db2.gz RNZKNUTZFRTQNT-LLVKDONJSA-N 1 2 330.373 2.896 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000343253168 475892280 /nfs/dbraw/zinc/89/22/80/475892280.db2.gz RNZKNUTZFRTQNT-NSHDSACASA-N 1 2 330.373 2.896 20 5 EFBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341426 475910092 /nfs/dbraw/zinc/91/00/92/475910092.db2.gz PAQHZIISIYTROW-KBPBESRZSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341426 475910098 /nfs/dbraw/zinc/91/00/98/475910098.db2.gz PAQHZIISIYTROW-KBPBESRZSA-N 1 2 349.434 2.846 20 5 EFBDLO Cc1cc(N(C)[C@@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343285178 475919477 /nfs/dbraw/zinc/91/94/77/475919477.db2.gz KPKJHFCNWIVYST-CABCVRRESA-N 1 2 328.372 2.710 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000343291619 475925258 /nfs/dbraw/zinc/92/52/58/475925258.db2.gz SAKBGCDXPBRDQE-INIZCTEOSA-N 1 2 341.371 2.776 20 5 EFBDLO O=C(Nc1cccc2[nH+]ccn21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000358792544 475942815 /nfs/dbraw/zinc/94/28/15/475942815.db2.gz RNXNSRNLYOBVRI-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO COc1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000355448096 475947452 /nfs/dbraw/zinc/94/74/52/475947452.db2.gz TYJPSCOBUHPLLY-ZDUSSCGKSA-N 1 2 330.344 2.694 20 5 EFBDLO Cc1csc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000353448089 475976630 /nfs/dbraw/zinc/97/66/30/475976630.db2.gz NWMQNFLLGLBQSV-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000353457983 475984938 /nfs/dbraw/zinc/98/49/38/475984938.db2.gz BDSZTYQXHFUBHR-AWEZNQCLSA-N 1 2 329.385 2.664 20 5 EFBDLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc([N+](=O)[O-])c1 ZINC000343361987 475987197 /nfs/dbraw/zinc/98/71/97/475987197.db2.gz RKAXNCVQYZBLDD-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468853 475994177 /nfs/dbraw/zinc/99/41/77/475994177.db2.gz CSZBVLRMQVYAED-QPJJXVBHSA-N 1 2 345.424 2.918 20 5 EFBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468853 475994184 /nfs/dbraw/zinc/99/41/84/475994184.db2.gz CSZBVLRMQVYAED-QPJJXVBHSA-N 1 2 345.424 2.918 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2CCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000358915790 476036685 /nfs/dbraw/zinc/03/66/85/476036685.db2.gz QGWFUZCFCHCZFM-AWEZNQCLSA-N 1 2 335.404 2.710 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2CCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000358915790 476036691 /nfs/dbraw/zinc/03/66/91/476036691.db2.gz QGWFUZCFCHCZFM-AWEZNQCLSA-N 1 2 335.404 2.710 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000298323383 476057528 /nfs/dbraw/zinc/05/75/28/476057528.db2.gz WQGPIEPMQRICMW-UHFFFAOYSA-N 1 2 346.412 2.708 20 5 EFBDLO COc1ccc2c(c1)OCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000338632497 476066778 /nfs/dbraw/zinc/06/67/78/476066778.db2.gz HTFAODPYBXHLDE-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1ccc2c(c1)OCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000338632497 476066788 /nfs/dbraw/zinc/06/67/88/476066788.db2.gz HTFAODPYBXHLDE-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO Cc1cc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338633761 476068227 /nfs/dbraw/zinc/06/82/27/476068227.db2.gz QMYSOUKGOZFPLV-UHFFFAOYSA-N 1 2 333.310 2.666 20 5 EFBDLO COc1ccc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353621794 476132265 /nfs/dbraw/zinc/13/22/65/476132265.db2.gz MXEXWGPODRIBQB-MRXNPFEDSA-N 1 2 339.355 2.933 20 5 EFBDLO Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000301298585 476161368 /nfs/dbraw/zinc/16/13/68/476161368.db2.gz QBGJDCFRXLSRQP-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000301298585 476161376 /nfs/dbraw/zinc/16/13/76/476161376.db2.gz QBGJDCFRXLSRQP-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccnc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000338761519 476164754 /nfs/dbraw/zinc/16/47/54/476164754.db2.gz AHCFRJITMRGFDL-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO Cc1c(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000353667999 476172676 /nfs/dbraw/zinc/17/26/76/476172676.db2.gz WNZUQMZUYSOIMA-OAHLLOKOSA-N 1 2 326.360 2.572 20 5 EFBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c[nH+]1 ZINC000362363666 476196156 /nfs/dbraw/zinc/19/61/56/476196156.db2.gz DNKAEPNBHNQPNZ-UHFFFAOYSA-N 1 2 339.330 2.637 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357131391 476253472 /nfs/dbraw/zinc/25/34/72/476253472.db2.gz JWPSCWZRHGHTLI-ZDUSSCGKSA-N 1 2 332.385 2.774 20 5 EFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000304343195 476280705 /nfs/dbraw/zinc/28/07/05/476280705.db2.gz XGVPRZMQYFEESM-INIZCTEOSA-N 1 2 339.351 2.898 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCCCc3[nH]c4ccccc4[nH+]3)c21 ZINC000357320132 476330051 /nfs/dbraw/zinc/33/00/51/476330051.db2.gz CQUPUBAUCDKDRQ-UHFFFAOYSA-N 1 2 348.366 2.881 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353938110 476330871 /nfs/dbraw/zinc/33/08/71/476330871.db2.gz RNHKGEFLBCFNHK-ZDUSSCGKSA-N 1 2 343.387 2.912 20 5 EFBDLO O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)nc1 ZINC000357330332 476333950 /nfs/dbraw/zinc/33/39/50/476333950.db2.gz OGXCTKDATRJIMA-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO Cc1cc(N2CC[C@@H](CO)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362682218 476350018 /nfs/dbraw/zinc/35/00/18/476350018.db2.gz XJODYDDHRIZLMO-OCCSQVGLSA-N 1 2 328.372 2.567 20 5 EFBDLO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cn2c([nH+]1)CCCC2 ZINC000372997379 476368795 /nfs/dbraw/zinc/36/87/95/476368795.db2.gz DUGXYXOPEBRDHX-UHFFFAOYSA-N 1 2 330.388 2.638 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000362796698 476413115 /nfs/dbraw/zinc/41/31/15/476413115.db2.gz WIFYOCYCMQDIKF-AWEZNQCLSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1cc(Cc2noc(C[C@H](C)n3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000351430485 476454561 /nfs/dbraw/zinc/45/45/61/476454561.db2.gz OGTNKWONEHUTEK-LBPRGKRZSA-N 1 2 327.344 2.877 20 5 EFBDLO COc1cc(Cc2noc(C[C@H](C)n3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000351437832 476457945 /nfs/dbraw/zinc/45/79/45/476457945.db2.gz XEALNMFUANKORY-NSHDSACASA-N 1 2 343.343 2.577 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000360890889 476458306 /nfs/dbraw/zinc/45/83/06/476458306.db2.gz CLPCEBBSWKSSFJ-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000362962527 476505559 /nfs/dbraw/zinc/50/55/59/476505559.db2.gz FBECGENNZMFJFJ-LBPRGKRZSA-N 1 2 338.371 2.934 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000363072397 476549125 /nfs/dbraw/zinc/54/91/25/476549125.db2.gz LNSMXBLVTWNCRU-UHFFFAOYSA-N 1 2 344.371 2.893 20 5 EFBDLO Cc1c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000363217164 476611001 /nfs/dbraw/zinc/61/10/01/476611001.db2.gz OQHZXLAMICVNGN-UHFFFAOYSA-N 1 2 343.387 2.800 20 5 EFBDLO C[C@H]1COCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000370182921 476687389 /nfs/dbraw/zinc/68/73/89/476687389.db2.gz JRGBREVBXQGXGT-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@H]1COCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000370182921 476687392 /nfs/dbraw/zinc/68/73/92/476687392.db2.gz JRGBREVBXQGXGT-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878759 476695161 /nfs/dbraw/zinc/69/51/61/476695161.db2.gz OCAWQDCIFIVLSL-MRXNPFEDSA-N 1 2 340.387 2.895 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878759 476695173 /nfs/dbraw/zinc/69/51/73/476695173.db2.gz OCAWQDCIFIVLSL-MRXNPFEDSA-N 1 2 340.387 2.895 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000430199551 476779296 /nfs/dbraw/zinc/77/92/96/476779296.db2.gz CCFNMFXEWVATLT-GXTWGEPZSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000430199551 476779302 /nfs/dbraw/zinc/77/93/02/476779302.db2.gz CCFNMFXEWVATLT-GXTWGEPZSA-N 1 2 348.321 2.881 20 5 EFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)oc1C ZINC000430209544 476782015 /nfs/dbraw/zinc/78/20/15/476782015.db2.gz RNFSCINVNPSEOY-UHFFFAOYSA-N 1 2 348.355 2.923 20 5 EFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)oc1C ZINC000430209544 476782021 /nfs/dbraw/zinc/78/20/21/476782021.db2.gz RNFSCINVNPSEOY-UHFFFAOYSA-N 1 2 348.355 2.923 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000370392396 476788492 /nfs/dbraw/zinc/78/84/92/476788492.db2.gz YPBMBWXJZCXTGO-OCCSQVGLSA-N 1 2 328.372 2.540 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CN1C(C)=O ZINC000430242758 476789777 /nfs/dbraw/zinc/78/97/77/476789777.db2.gz SWGUIYYGQMAIMC-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CN1C(C)=O ZINC000430242758 476789790 /nfs/dbraw/zinc/78/97/90/476789790.db2.gz SWGUIYYGQMAIMC-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO Cc1cc(C)c(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000396999297 476853224 /nfs/dbraw/zinc/85/32/24/476853224.db2.gz ZBGQMWHNBZDTRY-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO O=C(CSc1ccccc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000452330348 476918531 /nfs/dbraw/zinc/91/85/31/476918531.db2.gz AIAQCFFLTBZZDM-UHFFFAOYSA-N 1 2 332.385 2.858 20 5 EFBDLO CC[C@H](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452416420 476956084 /nfs/dbraw/zinc/95/60/84/476956084.db2.gz DRBQNAWHPWPRFY-BLLLJJGKSA-N 1 2 346.387 2.571 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(CF)CC1 ZINC000452601593 477013183 /nfs/dbraw/zinc/01/31/83/477013183.db2.gz OENORCGRCDGOGY-UHFFFAOYSA-N 1 2 332.335 2.602 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000370878996 477019082 /nfs/dbraw/zinc/01/90/82/477019082.db2.gz JVNCKVPTKZWZHK-CQSZACIVSA-N 1 2 346.362 2.705 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000370878996 477019086 /nfs/dbraw/zinc/01/90/86/477019086.db2.gz JVNCKVPTKZWZHK-CQSZACIVSA-N 1 2 346.362 2.705 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000370878995 477019913 /nfs/dbraw/zinc/01/99/13/477019913.db2.gz JVNCKVPTKZWZHK-AWEZNQCLSA-N 1 2 346.362 2.705 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000370878995 477019918 /nfs/dbraw/zinc/01/99/18/477019918.db2.gz JVNCKVPTKZWZHK-AWEZNQCLSA-N 1 2 346.362 2.705 20 5 EFBDLO COc1cc[nH+]cc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000431478535 477036925 /nfs/dbraw/zinc/03/69/25/477036925.db2.gz SAQIYIQANFIKKF-UHFFFAOYSA-N 1 2 339.149 2.768 20 5 EFBDLO CCCCOCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818637 477064917 /nfs/dbraw/zinc/06/49/17/477064917.db2.gz UEHMIMDIZUJNAI-UHFFFAOYSA-N 1 2 337.420 2.656 20 5 EFBDLO Cc1ncsc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814595 477065458 /nfs/dbraw/zinc/06/54/58/477065458.db2.gz ZLRHLEAPKVWAJP-UHFFFAOYSA-N 1 2 348.428 2.804 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000366575890 477076496 /nfs/dbraw/zinc/07/64/96/477076496.db2.gz RDEZTEOECIQCOE-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000375944676 477094946 /nfs/dbraw/zinc/09/49/46/477094946.db2.gz BIDCCIMQRGHAQH-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000371046158 477096903 /nfs/dbraw/zinc/09/69/03/477096903.db2.gz XQXXYPUFECJFQT-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375947198 477097079 /nfs/dbraw/zinc/09/70/79/477097079.db2.gz MAKMTVJEHMVTQT-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO CCNc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000411047749 477097012 /nfs/dbraw/zinc/09/70/12/477097012.db2.gz GQEKLCUMHMHIMS-MFKMUULPSA-N 1 2 329.360 2.659 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000371046159 477097882 /nfs/dbraw/zinc/09/78/82/477097882.db2.gz XQXXYPUFECJFQT-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCOC[C@@H](C)C1 ZINC000371099897 477123795 /nfs/dbraw/zinc/12/37/95/477123795.db2.gz MRQPWJXEPFXGTM-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCOC[C@@H](C)C1 ZINC000371099897 477123803 /nfs/dbraw/zinc/12/38/03/477123803.db2.gz MRQPWJXEPFXGTM-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO CCC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000453229537 477193586 /nfs/dbraw/zinc/19/35/86/477193586.db2.gz DDQPIBWIZQKKPM-GDBMZVCRSA-N 1 2 328.372 2.647 20 5 EFBDLO CCCCOCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568153 477194790 /nfs/dbraw/zinc/19/47/90/477194790.db2.gz DWEBDIGVSHBQRS-UHFFFAOYSA-N 1 2 346.387 2.717 20 5 EFBDLO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448566293 477194968 /nfs/dbraw/zinc/19/49/68/477194968.db2.gz OTKUHFQBVNXRAG-CHWSQXEVSA-N 1 2 328.372 2.899 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC23CCCC3)c2c(c1)COCO2 ZINC000371251197 477199633 /nfs/dbraw/zinc/19/96/33/477199633.db2.gz IUFWDDPMHPLNES-UHFFFAOYSA-N 1 2 334.372 2.606 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOCC23CCCC3)c2c(c1)COCO2 ZINC000371251197 477199636 /nfs/dbraw/zinc/19/96/36/477199636.db2.gz IUFWDDPMHPLNES-UHFFFAOYSA-N 1 2 334.372 2.606 20 5 EFBDLO Cc1c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000366856396 477223933 /nfs/dbraw/zinc/22/39/33/477223933.db2.gz XXJDBTFFTVDDKZ-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCCC2)C1 ZINC000376323005 477282668 /nfs/dbraw/zinc/28/26/68/477282668.db2.gz GBETXDNEGQFZDE-CQSZACIVSA-N 1 2 347.415 2.814 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCCC2)C1 ZINC000376323005 477282673 /nfs/dbraw/zinc/28/26/73/477282673.db2.gz GBETXDNEGQFZDE-CQSZACIVSA-N 1 2 347.415 2.814 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000432947255 477291061 /nfs/dbraw/zinc/29/10/61/477291061.db2.gz ZNDVOJLRTSWGPV-LLVKDONJSA-N 1 2 347.337 2.771 20 5 EFBDLO O=C(NC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448806299 477295153 /nfs/dbraw/zinc/29/51/53/477295153.db2.gz SXMBROVPBJKWCI-ZDUSSCGKSA-N 1 2 326.356 2.867 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000411728886 477346866 /nfs/dbraw/zinc/34/68/66/477346866.db2.gz VNPSVDQTPIJGTA-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000411728886 477346871 /nfs/dbraw/zinc/34/68/71/477346871.db2.gz VNPSVDQTPIJGTA-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO CC(C)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412075995 477405444 /nfs/dbraw/zinc/40/54/44/477405444.db2.gz KMLUAGUCFKYJSH-NSHDSACASA-N 1 2 325.796 2.737 20 5 EFBDLO CC(C)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412075995 477405451 /nfs/dbraw/zinc/40/54/51/477405451.db2.gz KMLUAGUCFKYJSH-NSHDSACASA-N 1 2 325.796 2.737 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000454975736 477453809 /nfs/dbraw/zinc/45/38/09/477453809.db2.gz UYBCZSSZQRWQBJ-HNNXBMFYSA-N 1 2 342.399 2.791 20 5 EFBDLO CCCNC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413044639 477486107 /nfs/dbraw/zinc/48/61/07/477486107.db2.gz PAAWJWCKANXNAH-UHFFFAOYSA-N 1 2 342.399 2.886 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461831 477523643 /nfs/dbraw/zinc/52/36/43/477523643.db2.gz BPMMYMSPCOLQOI-HNNXBMFYSA-N 1 2 345.359 2.882 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461831 477523651 /nfs/dbraw/zinc/52/36/51/477523651.db2.gz BPMMYMSPCOLQOI-HNNXBMFYSA-N 1 2 345.359 2.882 20 5 EFBDLO COC(=O)CCSCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413139217 477540968 /nfs/dbraw/zinc/54/09/68/477540968.db2.gz KCHCDISDWQSUBK-UHFFFAOYSA-N 1 2 335.385 2.851 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCO[C@H]3CCCCO3)c2c1 ZINC000413258537 477594555 /nfs/dbraw/zinc/59/45/55/477594555.db2.gz BXMHXSWWXSGFDJ-INIZCTEOSA-N 1 2 331.372 2.910 20 5 EFBDLO CS(=O)(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413265577 477597626 /nfs/dbraw/zinc/59/76/26/477597626.db2.gz KWEAHDSKNUIZIK-UHFFFAOYSA-N 1 2 335.385 2.522 20 5 EFBDLO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436974215 477654288 /nfs/dbraw/zinc/65/42/88/477654288.db2.gz XCBUVZQAAGHFDK-UHFFFAOYSA-N 1 2 335.404 2.686 20 5 EFBDLO CC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000367720569 477654717 /nfs/dbraw/zinc/65/47/17/477654717.db2.gz LRLIIXPMHPXRPU-UHFFFAOYSA-N 1 2 337.339 2.990 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000455488283 477655809 /nfs/dbraw/zinc/65/58/09/477655809.db2.gz RDSXZOOSKHTJRT-CYBMUJFWSA-N 1 2 345.403 2.756 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455491799 477657168 /nfs/dbraw/zinc/65/71/68/477657168.db2.gz XAAKRMKHDOPMHO-YPMHNXCESA-N 1 2 329.360 2.639 20 5 EFBDLO CO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395209 477680505 /nfs/dbraw/zinc/68/05/05/477680505.db2.gz NBBDOCWNCGVUMD-LBPRGKRZSA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395209 477680517 /nfs/dbraw/zinc/68/05/17/477680517.db2.gz NBBDOCWNCGVUMD-LBPRGKRZSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CO ZINC000425420866 477682380 /nfs/dbraw/zinc/68/23/80/477682380.db2.gz MWOSSDHHRLPWBW-IINYFYTJSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CO ZINC000425420866 477682390 /nfs/dbraw/zinc/68/23/90/477682390.db2.gz MWOSSDHHRLPWBW-IINYFYTJSA-N 1 2 343.221 2.950 20 5 EFBDLO Cc1cc(N2CCO[C@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413474116 477692170 /nfs/dbraw/zinc/69/21/70/477692170.db2.gz MPLWCZFSYFEFHY-CQSZACIVSA-N 1 2 332.335 2.535 20 5 EFBDLO Cc1cc(N2CCO[C@@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413474102 477692377 /nfs/dbraw/zinc/69/23/77/477692377.db2.gz MPLWCZFSYFEFHY-AWEZNQCLSA-N 1 2 332.335 2.535 20 5 EFBDLO CC(C)Oc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000413489586 477697466 /nfs/dbraw/zinc/69/74/66/477697466.db2.gz SMPIKUZYJWQSPA-CYBMUJFWSA-N 1 2 346.387 2.645 20 5 EFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450740495 477701258 /nfs/dbraw/zinc/70/12/58/477701258.db2.gz VKAIBXUEFFEKHJ-VIFPVBQESA-N 1 2 342.277 2.709 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372226152 477703306 /nfs/dbraw/zinc/70/33/06/477703306.db2.gz QMWPJTDBSAWODK-LBPRGKRZSA-N 1 2 329.360 2.799 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000450803888 477721940 /nfs/dbraw/zinc/72/19/40/477721940.db2.gz LRTWETZOEQVMGJ-OCCSQVGLSA-N 1 2 326.356 2.795 20 5 EFBDLO Cc1cc(N2C[C@H](C)C[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413577576 477736313 /nfs/dbraw/zinc/73/63/13/477736313.db2.gz JIRZURABOQGHSW-ABAIWWIYSA-N 1 2 328.372 2.567 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372293453 477739897 /nfs/dbraw/zinc/73/98/97/477739897.db2.gz DTYIYKNEIQUBMJ-HIFRSBDPSA-N 1 2 347.415 2.813 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372293453 477739903 /nfs/dbraw/zinc/73/99/03/477739903.db2.gz DTYIYKNEIQUBMJ-HIFRSBDPSA-N 1 2 347.415 2.813 20 5 EFBDLO COC(=O)c1csc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000450976945 477781203 /nfs/dbraw/zinc/78/12/03/477781203.db2.gz SGFLWSFCIXUDON-UHFFFAOYSA-N 1 2 335.385 2.512 20 5 EFBDLO COC(=O)c1csc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000450976945 477781210 /nfs/dbraw/zinc/78/12/10/477781210.db2.gz SGFLWSFCIXUDON-UHFFFAOYSA-N 1 2 335.385 2.512 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000456194483 477814725 /nfs/dbraw/zinc/81/47/25/477814725.db2.gz VEYFHAHRFMXRIH-LBPRGKRZSA-N 1 2 343.387 2.813 20 5 EFBDLO CCc1cc(NC[C@H](CO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000557729114 477818698 /nfs/dbraw/zinc/81/86/98/477818698.db2.gz OCFUSBVPCMUXNS-CQSZACIVSA-N 1 2 344.415 2.713 20 5 EFBDLO CC[C@@H]1C[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](CC)O1 ZINC000420961273 477857544 /nfs/dbraw/zinc/85/75/44/477857544.db2.gz SDSVQONJPBBGGM-BRWVUGGUSA-N 1 2 347.415 2.590 20 5 EFBDLO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000438568968 477865526 /nfs/dbraw/zinc/86/55/26/477865526.db2.gz CPKHNFVRWQKIQZ-UHFFFAOYSA-N 1 2 329.356 2.657 20 5 EFBDLO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000558454962 477872459 /nfs/dbraw/zinc/87/24/59/477872459.db2.gz QFYVJRXIFZUWJR-SECBINFHSA-N 1 2 343.368 2.932 20 5 EFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000428368148 477877666 /nfs/dbraw/zinc/87/76/66/477877666.db2.gz XMHCJVUPFUQBCP-LLVKDONJSA-N 1 2 342.380 2.751 20 5 EFBDLO CSc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456363537 477888806 /nfs/dbraw/zinc/88/88/06/477888806.db2.gz FKEDMAHEUOTSNE-GXSJLCMTSA-N 1 2 332.385 2.949 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375875 477897396 /nfs/dbraw/zinc/89/73/96/477897396.db2.gz KJCPDCJYDKRHTQ-MNOVXSKESA-N 1 2 332.385 2.706 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2[nH+]ccn21 ZINC000456393937 477909679 /nfs/dbraw/zinc/90/96/79/477909679.db2.gz RTJXUUWBTQQRHN-OTYXRUKQSA-N 1 2 325.328 2.708 20 5 EFBDLO COc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1C ZINC000456399466 477912570 /nfs/dbraw/zinc/91/25/70/477912570.db2.gz CWOOPTHFXVXUPN-BXKDBHETSA-N 1 2 330.344 2.544 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000456401070 477914364 /nfs/dbraw/zinc/91/43/64/477914364.db2.gz VGVUKHBPSRFQBX-LLVKDONJSA-N 1 2 334.401 2.781 20 5 EFBDLO CCc1cc(NCCC[C@@H](O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462883403 477922321 /nfs/dbraw/zinc/92/23/21/477922321.db2.gz LJKWITGBGGXSHC-INIZCTEOSA-N 1 2 344.415 2.999 20 5 EFBDLO C[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1F ZINC000456418546 477925221 /nfs/dbraw/zinc/92/52/21/477925221.db2.gz LBNREYNQLTXWIL-BFVZDQMLSA-N 1 2 332.335 2.856 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421038291 477926202 /nfs/dbraw/zinc/92/62/02/477926202.db2.gz TUCUQVFDNMSKAT-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000559235967 477967485 /nfs/dbraw/zinc/96/74/85/477967485.db2.gz OKFFZHDWSFFWHQ-UHFFFAOYSA-N 1 2 337.339 2.868 20 5 EFBDLO CCOc1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1O ZINC000459617030 478011908 /nfs/dbraw/zinc/01/19/08/478011908.db2.gz BLGAPNWHJPFQEK-UHFFFAOYSA-N 1 2 344.367 2.962 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000533070443 478030539 /nfs/dbraw/zinc/03/05/39/478030539.db2.gz QHNQTTBZCCDICX-GJZGRUSLSA-N 1 2 341.358 2.928 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533395296 478075342 /nfs/dbraw/zinc/07/53/42/478075342.db2.gz REWFNHWZCQHJRA-UHFFFAOYSA-N 1 2 341.367 2.606 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533395296 478075347 /nfs/dbraw/zinc/07/53/47/478075347.db2.gz REWFNHWZCQHJRA-UHFFFAOYSA-N 1 2 341.367 2.606 20 5 EFBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533427741 478078176 /nfs/dbraw/zinc/07/81/76/478078176.db2.gz YOAARZVRTHBKIE-NSHDSACASA-N 1 2 343.358 2.952 20 5 EFBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533427741 478078181 /nfs/dbraw/zinc/07/81/81/478078181.db2.gz YOAARZVRTHBKIE-NSHDSACASA-N 1 2 343.358 2.952 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000421488062 478106795 /nfs/dbraw/zinc/10/67/95/478106795.db2.gz FLTQRIMNAQITEB-HNNXBMFYSA-N 1 2 341.367 2.900 20 5 EFBDLO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000518310265 478157321 /nfs/dbraw/zinc/15/73/21/478157321.db2.gz ALWFKQHRLUUHHR-SNVBAGLBSA-N 1 2 343.225 2.673 20 5 EFBDLO CC[C@@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000518310265 478157326 /nfs/dbraw/zinc/15/73/26/478157326.db2.gz ALWFKQHRLUUHHR-SNVBAGLBSA-N 1 2 343.225 2.673 20 5 EFBDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000441077266 478193118 /nfs/dbraw/zinc/19/31/18/478193118.db2.gz TTWDSQYZXSBJEB-UHFFFAOYSA-N 1 2 330.388 2.675 20 5 EFBDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000441077266 478193122 /nfs/dbraw/zinc/19/31/22/478193122.db2.gz TTWDSQYZXSBJEB-UHFFFAOYSA-N 1 2 330.388 2.675 20 5 EFBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489475430 478248940 /nfs/dbraw/zinc/24/89/40/478248940.db2.gz SRNXQRMEPHXFEF-BXUZGUMPSA-N 1 2 328.796 2.874 20 5 EFBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489475430 478248943 /nfs/dbraw/zinc/24/89/43/478248943.db2.gz SRNXQRMEPHXFEF-BXUZGUMPSA-N 1 2 328.796 2.874 20 5 EFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495662962 478259341 /nfs/dbraw/zinc/25/93/41/478259341.db2.gz YPWPSISEXKFFNQ-CQSZACIVSA-N 1 2 349.387 2.544 20 5 EFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495662962 478259344 /nfs/dbraw/zinc/25/93/44/478259344.db2.gz YPWPSISEXKFFNQ-CQSZACIVSA-N 1 2 349.387 2.544 20 5 EFBDLO Cc1cccn2cc(CC(=O)NCc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000579543127 478318630 /nfs/dbraw/zinc/31/86/30/478318630.db2.gz JNTWNYJZXKPEML-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(-c3cccnc3)n[nH]1)C2 ZINC000538726227 478379178 /nfs/dbraw/zinc/37/91/78/478379178.db2.gz FHQSXMFIUDWGQI-UHFFFAOYSA-N 1 2 335.367 2.938 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(-c3cccnc3)n[nH]1)C2 ZINC000538726227 478379185 /nfs/dbraw/zinc/37/91/85/478379185.db2.gz FHQSXMFIUDWGQI-UHFFFAOYSA-N 1 2 335.367 2.938 20 5 EFBDLO CCc1nn(C)c(N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000538743632 478381911 /nfs/dbraw/zinc/38/19/11/478381911.db2.gz VCTFQBZCVJKBNK-CQSZACIVSA-N 1 2 340.387 2.826 20 5 EFBDLO CC(C)c1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594509289 478417188 /nfs/dbraw/zinc/41/71/88/478417188.db2.gz DNEQLXPDFLPMRH-HNNXBMFYSA-N 1 2 345.403 2.978 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594511431 478418967 /nfs/dbraw/zinc/41/89/67/478418967.db2.gz NGIKWNUPAMMAOB-BXUZGUMPSA-N 1 2 331.376 2.724 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594511434 478420177 /nfs/dbraw/zinc/42/01/77/478420177.db2.gz NGIKWNUPAMMAOB-SMDDNHRTSA-N 1 2 331.376 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3nc[nH+]c4c3OCCN4)C2)cc1 ZINC000591164674 478480641 /nfs/dbraw/zinc/48/06/41/478480641.db2.gz ZMOHISHLDVFVSO-ZDUSSCGKSA-N 1 2 341.371 2.573 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3[nH+]cnc4c3OCCN4)C2)cc1 ZINC000591164674 478480647 /nfs/dbraw/zinc/48/06/47/478480647.db2.gz ZMOHISHLDVFVSO-ZDUSSCGKSA-N 1 2 341.371 2.573 20 5 EFBDLO Cc1cc(N2CCC[C@@H]3COC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591183188 478485134 /nfs/dbraw/zinc/48/51/34/478485134.db2.gz KOWLNTBPTHETDK-ZBFHGGJFSA-N 1 2 340.383 2.975 20 5 EFBDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000563355790 478528852 /nfs/dbraw/zinc/52/88/52/478528852.db2.gz FASNRJZNVNJWPE-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000563355790 478528853 /nfs/dbraw/zinc/52/88/53/478528853.db2.gz FASNRJZNVNJWPE-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069542 478534217 /nfs/dbraw/zinc/53/42/17/478534217.db2.gz DHLNTQRKAQAOQU-UHFFFAOYSA-N 1 2 327.812 2.986 20 5 EFBDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069542 478534225 /nfs/dbraw/zinc/53/42/25/478534225.db2.gz DHLNTQRKAQAOQU-UHFFFAOYSA-N 1 2 327.812 2.986 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379732 478540954 /nfs/dbraw/zinc/54/09/54/478540954.db2.gz WUXKDDIDRWHUSK-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379732 478540965 /nfs/dbraw/zinc/54/09/65/478540965.db2.gz WUXKDDIDRWHUSK-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000600887832 478553111 /nfs/dbraw/zinc/55/31/11/478553111.db2.gz XORCQNZASLGMEU-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491477605 478561272 /nfs/dbraw/zinc/56/12/72/478561272.db2.gz HPVLANXUJZWDFH-WBTMPAOCSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000600981530 478596865 /nfs/dbraw/zinc/59/68/65/478596865.db2.gz CHGJJVRTSJCHDW-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601009984 478612756 /nfs/dbraw/zinc/61/27/56/478612756.db2.gz CUOZXQUZPHMSGU-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601009984 478612763 /nfs/dbraw/zinc/61/27/63/478612763.db2.gz CUOZXQUZPHMSGU-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO CCc1cc(N[C@@H](C)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000541921418 478613618 /nfs/dbraw/zinc/61/36/18/478613618.db2.gz HDOKZWXLPQVGCX-JSGCOSHPSA-N 1 2 342.399 2.873 20 5 EFBDLO CC(C)c1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC000594981856 478617747 /nfs/dbraw/zinc/61/77/47/478617747.db2.gz ZRTXBLNOXNYVPU-UHFFFAOYSA-N 1 2 334.401 2.563 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000595013914 478629922 /nfs/dbraw/zinc/62/99/22/478629922.db2.gz RNFQIPQOHXZTJC-JTQLQIEISA-N 1 2 336.417 2.977 20 5 EFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845347 478647833 /nfs/dbraw/zinc/64/78/33/478647833.db2.gz NYGXPHVQUZXXLX-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845347 478647835 /nfs/dbraw/zinc/64/78/35/478647835.db2.gz NYGXPHVQUZXXLX-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000591851264 478649062 /nfs/dbraw/zinc/64/90/62/478649062.db2.gz XNGZBLADUVZMNT-RISCZKNCSA-N 1 2 341.205 2.968 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000591851264 478649068 /nfs/dbraw/zinc/64/90/68/478649068.db2.gz XNGZBLADUVZMNT-RISCZKNCSA-N 1 2 341.205 2.968 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664052 478655370 /nfs/dbraw/zinc/65/53/70/478655370.db2.gz VFWUVEVXFLNNGL-TZMCWYRMSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664052 478655378 /nfs/dbraw/zinc/65/53/78/478655378.db2.gz VFWUVEVXFLNNGL-TZMCWYRMSA-N 1 2 347.415 2.874 20 5 EFBDLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571861031 478692029 /nfs/dbraw/zinc/69/20/29/478692029.db2.gz QEGXREMMWOKMMY-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571861031 478692032 /nfs/dbraw/zinc/69/20/32/478692032.db2.gz QEGXREMMWOKMMY-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000595293821 478717900 /nfs/dbraw/zinc/71/79/00/478717900.db2.gz BAEJCHFOCDZTCD-UHFFFAOYSA-N 1 2 337.445 2.994 20 5 EFBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595292197 478718234 /nfs/dbraw/zinc/71/82/34/478718234.db2.gz WTDZOFDRIYHYSE-CYBMUJFWSA-N 1 2 347.371 2.943 20 5 EFBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595292197 478718238 /nfs/dbraw/zinc/71/82/38/478718238.db2.gz WTDZOFDRIYHYSE-CYBMUJFWSA-N 1 2 347.371 2.943 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914360 478718702 /nfs/dbraw/zinc/71/87/02/478718702.db2.gz FYFUDLIROVFFME-ZDUSSCGKSA-N 1 2 330.388 2.636 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914360 478718708 /nfs/dbraw/zinc/71/87/08/478718708.db2.gz FYFUDLIROVFFME-ZDUSSCGKSA-N 1 2 330.388 2.636 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595301103 478722022 /nfs/dbraw/zinc/72/20/22/478722022.db2.gz INDJMGHLOWHVNO-MRXNPFEDSA-N 1 2 343.358 2.797 20 5 EFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595301103 478722031 /nfs/dbraw/zinc/72/20/31/478722031.db2.gz INDJMGHLOWHVNO-MRXNPFEDSA-N 1 2 343.358 2.797 20 5 EFBDLO Cc1noc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000595346952 478741075 /nfs/dbraw/zinc/74/10/75/478741075.db2.gz YYVUASIFRPBGQS-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO COc1cc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C2CC2)ccc1O ZINC000595391206 478759020 /nfs/dbraw/zinc/75/90/20/478759020.db2.gz GTKYZOYNSWBHCJ-UHFFFAOYSA-N 1 2 333.344 2.770 20 5 EFBDLO COc1cc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C2CC2)ccc1O ZINC000595391206 478759026 /nfs/dbraw/zinc/75/90/26/478759026.db2.gz GTKYZOYNSWBHCJ-UHFFFAOYSA-N 1 2 333.344 2.770 20 5 EFBDLO Cc1noc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000595398347 478761614 /nfs/dbraw/zinc/76/16/14/478761614.db2.gz TUXLMUJGQVSTGU-QGZVFWFLSA-N 1 2 329.356 2.565 20 5 EFBDLO Cc1noc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000595398347 478761622 /nfs/dbraw/zinc/76/16/22/478761622.db2.gz TUXLMUJGQVSTGU-QGZVFWFLSA-N 1 2 329.356 2.565 20 5 EFBDLO C[C@@H]1C[N@@H+](CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405385 478763313 /nfs/dbraw/zinc/76/33/13/478763313.db2.gz WYPHZQZYYPOBII-GASCZTMLSA-N 1 2 333.432 2.668 20 5 EFBDLO C[C@@H]1C[N@H+](CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405385 478763319 /nfs/dbraw/zinc/76/33/19/478763319.db2.gz WYPHZQZYYPOBII-GASCZTMLSA-N 1 2 333.432 2.668 20 5 EFBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595418735 478768775 /nfs/dbraw/zinc/76/87/75/478768775.db2.gz RASDZEWDKRYPOG-QMMMGPOBSA-N 1 2 339.323 2.898 20 5 EFBDLO Cc1noc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595440352 478783484 /nfs/dbraw/zinc/78/34/84/478783484.db2.gz DEMGBZXYPBPNRL-UHFFFAOYSA-N 1 2 349.362 2.600 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Cl)c1 ZINC000592131466 478791038 /nfs/dbraw/zinc/79/10/38/478791038.db2.gz YWJRQVDWKWSAKW-LBPRGKRZSA-N 1 2 331.750 2.773 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Cl)c1 ZINC000592131466 478791045 /nfs/dbraw/zinc/79/10/45/478791045.db2.gz YWJRQVDWKWSAKW-LBPRGKRZSA-N 1 2 331.750 2.773 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000595451318 478792626 /nfs/dbraw/zinc/79/26/26/478792626.db2.gz WJWNONIJFCTKGX-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492055949 478804307 /nfs/dbraw/zinc/80/43/07/478804307.db2.gz GATHZGLEULJPNS-WAYWQWQTSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492055949 478804313 /nfs/dbraw/zinc/80/43/13/478804313.db2.gz GATHZGLEULJPNS-WAYWQWQTSA-N 1 2 326.356 2.737 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000592161602 478806303 /nfs/dbraw/zinc/80/63/03/478806303.db2.gz RAZUZVTUTADLET-INIZCTEOSA-N 1 2 334.347 2.956 20 5 EFBDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])no1 ZINC000595491908 478817994 /nfs/dbraw/zinc/81/79/94/478817994.db2.gz YMQGMVOZJIIZJP-UHFFFAOYSA-N 1 2 337.307 2.533 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192224 478819873 /nfs/dbraw/zinc/81/98/73/478819873.db2.gz HAOBCVBUMCLGDZ-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192224 478819883 /nfs/dbraw/zinc/81/98/83/478819883.db2.gz HAOBCVBUMCLGDZ-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000598464154 478836371 /nfs/dbraw/zinc/83/63/71/478836371.db2.gz GLPXFVXUOXGPRW-MRVPVSSYSA-N 1 2 342.277 2.838 20 5 EFBDLO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598460200 478836434 /nfs/dbraw/zinc/83/64/34/478836434.db2.gz SNFKJYLRGOGHFK-MNOVXSKESA-N 1 2 334.401 2.686 20 5 EFBDLO C[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC000492139892 478844157 /nfs/dbraw/zinc/84/41/57/478844157.db2.gz ZTXRPIVQQMHWLB-GFCCVEGCSA-N 1 2 335.404 2.866 20 5 EFBDLO C[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC000492139892 478844163 /nfs/dbraw/zinc/84/41/63/478844163.db2.gz ZTXRPIVQQMHWLB-GFCCVEGCSA-N 1 2 335.404 2.866 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCn2cc[nH+]c21 ZINC000492183344 478864657 /nfs/dbraw/zinc/86/46/57/478864657.db2.gz FRXNCMIIVWOIIJ-AGLBCWCQSA-N 1 2 344.346 2.637 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000583510048 478870977 /nfs/dbraw/zinc/87/09/77/478870977.db2.gz FLZGPISWQKACEW-CQSZACIVSA-N 1 2 327.388 2.690 20 5 EFBDLO CN(CC1=CCSC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598514288 478874535 /nfs/dbraw/zinc/87/45/35/478874535.db2.gz MMVYUOQJZRGJGN-UHFFFAOYSA-N 1 2 344.396 2.526 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000492241169 478887206 /nfs/dbraw/zinc/88/72/06/478887206.db2.gz ZXDHPQGMLBEUGM-AJHXJQRKSA-N 1 2 340.383 2.807 20 5 EFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505864618 478888649 /nfs/dbraw/zinc/88/86/49/478888649.db2.gz OHNCZJLKKNJPNV-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505864618 478888655 /nfs/dbraw/zinc/88/86/55/478888655.db2.gz OHNCZJLKKNJPNV-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO COc1ccc(F)c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000598650492 478946407 /nfs/dbraw/zinc/94/64/07/478946407.db2.gz YSQACLKNRYHLMW-UHFFFAOYSA-N 1 2 348.330 2.804 20 5 EFBDLO CSC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000601693357 478956708 /nfs/dbraw/zinc/95/67/08/478956708.db2.gz NIYPLDLRZMWNDM-UHFFFAOYSA-N 1 2 346.412 2.748 20 5 EFBDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595761925 478982548 /nfs/dbraw/zinc/98/25/48/478982548.db2.gz YPJZQRKSVAZMCK-HNNXBMFYSA-N 1 2 348.378 2.783 20 5 EFBDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595761925 478982556 /nfs/dbraw/zinc/98/25/56/478982556.db2.gz YPJZQRKSVAZMCK-HNNXBMFYSA-N 1 2 348.378 2.783 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595805597 479008771 /nfs/dbraw/zinc/00/87/71/479008771.db2.gz IIXIEGKQWCXKIQ-UHFFFAOYSA-N 1 2 345.399 2.677 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595808820 479010186 /nfs/dbraw/zinc/01/01/86/479010186.db2.gz XIKIZPQQJMWDSL-UHFFFAOYSA-N 1 2 345.399 2.677 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807489 479010998 /nfs/dbraw/zinc/01/09/98/479010998.db2.gz POIAWXDDKWMCDX-UHFFFAOYSA-N 1 2 345.399 2.677 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595894936 479056766 /nfs/dbraw/zinc/05/67/66/479056766.db2.gz YWWZLVFKQPWLMG-UHFFFAOYSA-N 1 2 345.403 2.508 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595894936 479056767 /nfs/dbraw/zinc/05/67/67/479056767.db2.gz YWWZLVFKQPWLMG-UHFFFAOYSA-N 1 2 345.403 2.508 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598949033 479096841 /nfs/dbraw/zinc/09/68/41/479096841.db2.gz SESXPYWPBXDDMQ-ZDUSSCGKSA-N 1 2 328.372 2.660 20 5 EFBDLO NC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596070288 479120120 /nfs/dbraw/zinc/12/01/20/479120120.db2.gz QFTSBTAZUPSVHS-UHFFFAOYSA-N 1 2 341.371 2.823 20 5 EFBDLO COc1ccc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599019282 479128176 /nfs/dbraw/zinc/12/81/76/479128176.db2.gz DPNMADFKILACGB-KRWDZBQOSA-N 1 2 329.356 2.945 20 5 EFBDLO C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000596104261 479141175 /nfs/dbraw/zinc/14/11/75/479141175.db2.gz IUOZATKHQHLSCR-NSHDSACASA-N 1 2 328.363 2.580 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054156 479144865 /nfs/dbraw/zinc/14/48/65/479144865.db2.gz BKYGHYJHVLLNLD-UONOGXRCSA-N 1 2 335.404 2.811 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054156 479144871 /nfs/dbraw/zinc/14/48/71/479144871.db2.gz BKYGHYJHVLLNLD-UONOGXRCSA-N 1 2 335.404 2.811 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596112796 479145090 /nfs/dbraw/zinc/14/50/90/479145090.db2.gz DGONMPXRUSSTDS-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596112796 479145094 /nfs/dbraw/zinc/14/50/94/479145094.db2.gz DGONMPXRUSSTDS-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596112795 479145230 /nfs/dbraw/zinc/14/52/30/479145230.db2.gz DGONMPXRUSSTDS-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596112795 479145238 /nfs/dbraw/zinc/14/52/38/479145238.db2.gz DGONMPXRUSSTDS-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593057700 479149405 /nfs/dbraw/zinc/14/94/05/479149405.db2.gz HBDXZHRCDMOJHP-ZFWWWQNUSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593057700 479149413 /nfs/dbraw/zinc/14/94/13/479149413.db2.gz HBDXZHRCDMOJHP-ZFWWWQNUSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057581 479149504 /nfs/dbraw/zinc/14/95/04/479149504.db2.gz ULGVTTKHSKTNSX-CYBMUJFWSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057581 479149513 /nfs/dbraw/zinc/14/95/13/479149513.db2.gz ULGVTTKHSKTNSX-CYBMUJFWSA-N 1 2 335.404 2.731 20 5 EFBDLO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000596129998 479154442 /nfs/dbraw/zinc/15/44/42/479154442.db2.gz UDHVOXLNPXZSHM-GFCCVEGCSA-N 1 2 338.314 2.688 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCc1[nH]c2ccccc2[nH+]1 ZINC000599092007 479157581 /nfs/dbraw/zinc/15/75/81/479157581.db2.gz NGXLKOUUWBXWCD-UHFFFAOYSA-N 1 2 328.376 2.675 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073768 479158481 /nfs/dbraw/zinc/15/84/81/479158481.db2.gz YGEPRLFCBJBCLP-UHFFFAOYSA-N 1 2 339.342 2.963 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000596140887 479160633 /nfs/dbraw/zinc/16/06/33/479160633.db2.gz KKMNAQIJMJCQJX-LLVKDONJSA-N 1 2 338.205 2.808 20 5 EFBDLO O=[N+]([O-])c1cc(I)cc(CNc2c[nH]c[nH+]2)c1 ZINC000584561700 479175362 /nfs/dbraw/zinc/17/53/62/479175362.db2.gz VDVJUZLEIUDXEF-UHFFFAOYSA-N 1 2 344.112 2.535 20 5 EFBDLO O=c1[nH]ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596167293 479175416 /nfs/dbraw/zinc/17/54/16/479175416.db2.gz BGUZXFOBJPCKFE-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000569891841 479201598 /nfs/dbraw/zinc/20/15/98/479201598.db2.gz RMYWTQRZTZJZJV-RDJZCZTQSA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000569891841 479201601 /nfs/dbraw/zinc/20/16/01/479201601.db2.gz RMYWTQRZTZJZJV-RDJZCZTQSA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]1 ZINC000610887784 479224844 /nfs/dbraw/zinc/22/48/44/479224844.db2.gz OEJYUAZWTKPIFD-UHFFFAOYSA-N 1 2 325.328 2.884 20 5 EFBDLO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)s1 ZINC000596348872 479261277 /nfs/dbraw/zinc/26/12/77/479261277.db2.gz GBVWUXWMUJKRQY-CABCVRRESA-N 1 2 345.424 2.746 20 5 EFBDLO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)s1 ZINC000596348872 479261281 /nfs/dbraw/zinc/26/12/81/479261281.db2.gz GBVWUXWMUJKRQY-CABCVRRESA-N 1 2 345.424 2.746 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596429274 479291361 /nfs/dbraw/zinc/29/13/61/479291361.db2.gz IXPYGURQTPKDAA-QWHCGFSZSA-N 1 2 335.404 2.709 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596429274 479291370 /nfs/dbraw/zinc/29/13/70/479291370.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119828406 526079008 /nfs/dbraw/zinc/07/90/08/526079008.db2.gz WHJVHCSYYGPTSK-HNNXBMFYSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119828406 526079014 /nfs/dbraw/zinc/07/90/14/526079014.db2.gz WHJVHCSYYGPTSK-HNNXBMFYSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181329654 526079299 /nfs/dbraw/zinc/07/92/99/526079299.db2.gz XCISQTASBDUMPY-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181329654 526079305 /nfs/dbraw/zinc/07/93/05/526079305.db2.gz XCISQTASBDUMPY-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069066915 526144515 /nfs/dbraw/zinc/14/45/15/526144515.db2.gz OGKBWOFKGGQUOW-GFCCVEGCSA-N 1 2 329.356 2.770 20 5 EFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069066915 526144522 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HVCBWIUYZCDOTN-UONOGXRCSA-N 1 2 346.412 2.855 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265183097 536090439 /nfs/dbraw/zinc/09/04/39/536090439.db2.gz HDKNUZAKWDKNNL-UHFFFAOYSA-N 1 2 329.312 2.576 20 5 EFBDLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000425584799 536526498 /nfs/dbraw/zinc/52/64/98/536526498.db2.gz FRYDLDWHNUNSOP-UHFFFAOYSA-N 1 2 331.328 2.876 20 5 EFBDLO COc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000266349986 536827215 /nfs/dbraw/zinc/82/72/15/536827215.db2.gz JIRKDKJRQPWPMT-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO COc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000266349986 536827221 /nfs/dbraw/zinc/82/72/21/536827221.db2.gz JIRKDKJRQPWPMT-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000755659654 575614813 /nfs/dbraw/zinc/61/48/13/575614813.db2.gz YOGWUDFIHHAHTR-UHFFFAOYSA-N 1 2 346.339 2.981 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756967472 575806186 /nfs/dbraw/zinc/80/61/86/575806186.db2.gz OXGXVWOIXWRAJJ-UHFFFAOYSA-N 1 2 349.778 2.555 20 5 EFBDLO COc1cc(C)nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000757076147 575818756 /nfs/dbraw/zinc/81/87/56/575818756.db2.gz OJTRJBQKYYNKFQ-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000757697955 575850432 /nfs/dbraw/zinc/85/04/32/575850432.db2.gz RKUFEEZJKYSLAI-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO CC(C)CC1CC[NH+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000760397425 576017609 /nfs/dbraw/zinc/01/76/09/576017609.db2.gz DYUXSVGSGLHURI-UHFFFAOYSA-N 1 2 345.399 2.906 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761046648 576104520 /nfs/dbraw/zinc/10/45/20/576104520.db2.gz UALQBTLAMNMWAN-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761046648 576104521 /nfs/dbraw/zinc/10/45/21/576104521.db2.gz UALQBTLAMNMWAN-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3cccnc3-n3cc[nH+]c3)no2)c1 ZINC000761698686 576200279 /nfs/dbraw/zinc/20/02/79/576200279.db2.gz VGNGPWJHOAYSSP-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000761716544 576203036 /nfs/dbraw/zinc/20/30/36/576203036.db2.gz KSPMJMZIXCHBIR-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)s1 ZINC000762055942 576250470 /nfs/dbraw/zinc/25/04/70/576250470.db2.gz ZTUXLHAOONUDML-UHFFFAOYSA-N 1 2 340.324 2.954 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)c1 ZINC000762200809 576273851 /nfs/dbraw/zinc/27/38/51/576273851.db2.gz KYGRRGLKTZGQBG-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000763286258 576371053 /nfs/dbraw/zinc/37/10/53/576371053.db2.gz AOYPQLMVABUWAV-UHFFFAOYSA-N 1 2 344.371 2.639 20 5 EFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCCn1cc[nH+]c1 ZINC000763286286 576371114 /nfs/dbraw/zinc/37/11/14/576371114.db2.gz BWDSPJRHDIBPQD-LBPRGKRZSA-N 1 2 335.385 2.905 20 5 EFBDLO O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763463247 576378431 /nfs/dbraw/zinc/37/84/31/576378431.db2.gz COKAHSUUKWVMRL-UHFFFAOYSA-N 1 2 345.265 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766137300 577113202 /nfs/dbraw/zinc/11/32/02/577113202.db2.gz VVQSMKXIVUOSOX-ZDUSSCGKSA-N 1 2 336.285 2.869 20 5 EFBDLO COc1cc(COC(=O)c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1F ZINC000766202543 577120839 /nfs/dbraw/zinc/12/08/39/577120839.db2.gz OXRUTSRLXZURLY-UHFFFAOYSA-N 1 2 345.286 2.747 20 5 EFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)[nH+]c1C ZINC000766819562 577183721 /nfs/dbraw/zinc/18/37/21/577183721.db2.gz UQGOOTFZSXUPNK-UHFFFAOYSA-N 1 2 340.343 2.588 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000768143258 577257366 /nfs/dbraw/zinc/25/73/66/577257366.db2.gz PBQTVERKCPGMAT-HIFRSBDPSA-N 1 2 342.399 2.838 20 5 EFBDLO CC[N@H+](CCC(=O)OC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993533 577322898 /nfs/dbraw/zinc/32/28/98/577322898.db2.gz ZTGBPDGGGTXTCQ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO CC[N@@H+](CCC(=O)OC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993533 577322900 /nfs/dbraw/zinc/32/29/00/577322900.db2.gz ZTGBPDGGGTXTCQ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769319143 577351784 /nfs/dbraw/zinc/35/17/84/577351784.db2.gz RQKIAFYZBXENDB-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769319143 577351785 /nfs/dbraw/zinc/35/17/85/577351785.db2.gz RQKIAFYZBXENDB-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1cccn2cc(CC(=O)OCc3cc(F)ccc3[N+](=O)[O-])[nH+]c12 ZINC000726754672 577383507 /nfs/dbraw/zinc/38/35/07/577383507.db2.gz VAAZUFVYHXTKLC-UHFFFAOYSA-N 1 2 343.314 2.976 20 5 EFBDLO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922498 577395759 /nfs/dbraw/zinc/39/57/59/577395759.db2.gz ROFGPYCHLNIFTO-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922498 577395761 /nfs/dbraw/zinc/39/57/61/577395761.db2.gz ROFGPYCHLNIFTO-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO CC1(C)CC[NH+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000726967071 577425922 /nfs/dbraw/zinc/42/59/22/577425922.db2.gz VCBGYNVBKZABSM-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC12CCC2 ZINC000770669647 581123436 /nfs/dbraw/zinc/12/34/36/581123436.db2.gz IKKDLHWLDGZNGG-GFCCVEGCSA-N 1 2 343.383 2.660 20 5 EFBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC12CCC2 ZINC000770669647 581123437 /nfs/dbraw/zinc/12/34/37/581123437.db2.gz IKKDLHWLDGZNGG-GFCCVEGCSA-N 1 2 343.383 2.660 20 5 EFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771163589 581182067 /nfs/dbraw/zinc/18/20/67/581182067.db2.gz MSDVZQWBSFEWKZ-UHFFFAOYSA-N 1 2 343.374 2.907 20 5 EFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771163589 581182069 /nfs/dbraw/zinc/18/20/69/581182069.db2.gz MSDVZQWBSFEWKZ-UHFFFAOYSA-N 1 2 343.374 2.907 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771916735 581258725 /nfs/dbraw/zinc/25/87/25/581258725.db2.gz FDJOSPRASNOGRV-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771916735 581258727 /nfs/dbraw/zinc/25/87/27/581258727.db2.gz FDJOSPRASNOGRV-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO COc1cccc(C(=O)OCc2cccc3[nH+]ccn32)c1[N+](=O)[O-] ZINC000774141282 581485406 /nfs/dbraw/zinc/48/54/06/581485406.db2.gz BAMUELUTSMDTQD-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738360786 599527494 /nfs/dbraw/zinc/52/74/94/599527494.db2.gz YWUHKBVLFXXZOS-UHFFFAOYSA-N 1 2 349.310 2.753 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000253172493 1249077529 /nfs/dbraw/zinc/07/75/29/1249077529.db2.gz BLDINQCUMNPCPL-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000253172493 1249077541 /nfs/dbraw/zinc/07/75/41/1249077541.db2.gz BLDINQCUMNPCPL-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000691312950 1256093881 /nfs/dbraw/zinc/09/38/81/1256093881.db2.gz MPYFIGJCVKKASM-SECBINFHSA-N 1 2 329.194 2.703 20 5 EFBDLO C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000691312950 1256093892 /nfs/dbraw/zinc/09/38/92/1256093892.db2.gz MPYFIGJCVKKASM-SECBINFHSA-N 1 2 329.194 2.703 20 5 EFBDLO CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000168716849 1256681045 /nfs/dbraw/zinc/68/10/45/1256681045.db2.gz VQOBMPJQINDROQ-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000708497704 1259757207 /nfs/dbraw/zinc/75/72/07/1259757207.db2.gz OVXDSYDHNASRLB-QMTHXVAHSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000708497704 1259757212 /nfs/dbraw/zinc/75/72/12/1259757212.db2.gz OVXDSYDHNASRLB-QMTHXVAHSA-N 1 2 343.221 2.950 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000791408622 1278093167 /nfs/dbraw/zinc/09/31/67/1278093167.db2.gz UYVUFBUYPPXKHL-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791563593 1278181635 /nfs/dbraw/zinc/18/16/35/1278181635.db2.gz NJHLNGHBIWLJNQ-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791563593 1278181645 /nfs/dbraw/zinc/18/16/45/1278181645.db2.gz NJHLNGHBIWLJNQ-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1Br ZINC001119302927 1263474475 /nfs/dbraw/zinc/47/44/75/1263474475.db2.gz WVFMULOBTUGBPO-LBPRGKRZSA-N 1 2 347.234 2.766 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1Br ZINC001119302927 1263474482 /nfs/dbraw/zinc/47/44/82/1263474482.db2.gz WVFMULOBTUGBPO-LBPRGKRZSA-N 1 2 347.234 2.766 20 5 EFBDLO COc1cc(C(=O)OCc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1C ZINC000791835988 1278394898 /nfs/dbraw/zinc/39/48/98/1278394898.db2.gz LSYHXYHEOASBBL-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825158557 1278454512 /nfs/dbraw/zinc/45/45/12/1278454512.db2.gz PVKOLSBBMRWPKL-CQSZACIVSA-N 1 2 349.214 2.732 20 5 EFBDLO COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825158557 1278454516 /nfs/dbraw/zinc/45/45/16/1278454516.db2.gz PVKOLSBBMRWPKL-CQSZACIVSA-N 1 2 349.214 2.732 20 5 EFBDLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858322 1269136172 /nfs/dbraw/zinc/13/61/72/1269136172.db2.gz FELASAFBOHIUGQ-STQMWFEESA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858322 1269136176 /nfs/dbraw/zinc/13/61/76/1269136176.db2.gz FELASAFBOHIUGQ-STQMWFEESA-N 1 2 328.372 2.506 20 5 EFBDLO Cc1c(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cccc1[N+](=O)[O-] ZINC000746459239 1272291565 /nfs/dbraw/zinc/29/15/65/1272291565.db2.gz AWPADWRMDUHILX-UHFFFAOYSA-N 1 2 348.472 2.902 20 5 EFBDLO Cc1cn(C[N@H+]2CCC[C@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103263516 1272967280 /nfs/dbraw/zinc/96/72/80/1272967280.db2.gz VQCKYCMASOMPSS-ZDUSSCGKSA-N 1 2 330.388 2.545 20 5 EFBDLO Cc1cn(C[N@@H+]2CCC[C@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103263516 1272967290 /nfs/dbraw/zinc/96/72/90/1272967290.db2.gz VQCKYCMASOMPSS-ZDUSSCGKSA-N 1 2 330.388 2.545 20 5 EFBDLO Cc1ccc(NCCCN(C)C(=O)CCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001109432969 1274270366 /nfs/dbraw/zinc/27/03/66/1274270366.db2.gz RCWAABNENZVUKQ-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO O=C(C1CCC1)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035631958 1274286559 /nfs/dbraw/zinc/28/65/59/1274286559.db2.gz JTXPRVVAWXGDSX-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO CCC(=O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676224 1275142726 /nfs/dbraw/zinc/14/27/26/1275142726.db2.gz CGZUXNVPPBFSKC-UHFFFAOYSA-N 1 2 331.328 2.697 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000786582834 1275435939 /nfs/dbraw/zinc/43/59/39/1275435939.db2.gz YPVARWJUJAVJTO-KRWDZBQOSA-N 1 2 335.404 2.566 20 5 EFBDLO Nc1cc(COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000787565086 1275810433 /nfs/dbraw/zinc/81/04/33/1275810433.db2.gz UOHNSFPJTTVWSP-UHFFFAOYSA-N 1 2 328.328 2.503 20 5 EFBDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnnn1C1CC1 ZINC000788600628 1276237261 /nfs/dbraw/zinc/23/72/61/1276237261.db2.gz KUJCOKFRMKZIAB-MEBBXXQBSA-N 1 2 342.403 2.989 20 5 EFBDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356125 1279035687 /nfs/dbraw/zinc/03/56/87/1279035687.db2.gz YFDZNDIRSVBLTQ-MBMVNNNZSA-N 1 2 348.399 2.560 20 5 EFBDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356125 1279035691 /nfs/dbraw/zinc/03/56/91/1279035691.db2.gz YFDZNDIRSVBLTQ-MBMVNNNZSA-N 1 2 348.399 2.560 20 5 EFBDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819410140 1276754203 /nfs/dbraw/zinc/75/42/03/1276754203.db2.gz XPDDVKFFAQERSO-OAHLLOKOSA-N 1 2 345.399 2.821 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCNc1cccc[nH+]1 ZINC000820100873 1277025002 /nfs/dbraw/zinc/02/50/02/1277025002.db2.gz VFJUCLUBXWYDHH-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000821271989 1277480311 /nfs/dbraw/zinc/48/03/11/1277480311.db2.gz QSZBCUKDKVGMCX-CQSZACIVSA-N 1 2 340.383 2.615 20 5 EFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000791312159 1278044470 /nfs/dbraw/zinc/04/44/70/1278044470.db2.gz SYYCVCAZNCKMOY-UHFFFAOYSA-N 1 2 340.339 2.784 20 5 EFBDLO COc1cc(COC(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000845283208 1279531563 /nfs/dbraw/zinc/53/15/63/1279531563.db2.gz AEKQPBSELCLGJN-SNVBAGLBSA-N 1 2 337.307 2.634 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281762 1279531805 /nfs/dbraw/zinc/53/18/05/1279531805.db2.gz KDWGCHDRNKVWBK-LBPRGKRZSA-N 1 2 333.344 2.885 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845545654 1279715699 /nfs/dbraw/zinc/71/56/99/1279715699.db2.gz YZTASWBMPLJMNZ-GHMZBOCLSA-N 1 2 343.786 2.687 20 5 EFBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c4nonc43)[nH+]c12 ZINC000747227993 1280448641 /nfs/dbraw/zinc/44/86/41/1280448641.db2.gz SOHOOWSKUHVVIF-UHFFFAOYSA-N 1 2 338.327 2.742 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000807923039 1281469279 /nfs/dbraw/zinc/46/92/79/1281469279.db2.gz BMRVTIGVXXCDJV-KRWDZBQOSA-N 1 2 335.404 2.566 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+]2Cc3ccncc3C2)cccc1[N+](=O)[O-] ZINC000809566011 1282284097 /nfs/dbraw/zinc/28/40/97/1282284097.db2.gz SZQDTHXIAYFCDZ-UHFFFAOYSA-N 1 2 326.356 2.643 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+]2Cc3ccncc3C2)cccc1[N+](=O)[O-] ZINC000809566011 1282284106 /nfs/dbraw/zinc/28/41/06/1282284106.db2.gz SZQDTHXIAYFCDZ-UHFFFAOYSA-N 1 2 326.356 2.643 20 5 EFBDLO C[N@H+](CCN1CCCC1=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809946542 1282641699 /nfs/dbraw/zinc/64/16/99/1282641699.db2.gz XMZZCADQPOQDLL-UHFFFAOYSA-N 1 2 346.214 2.956 20 5 EFBDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809946542 1282641712 /nfs/dbraw/zinc/64/17/12/1282641712.db2.gz XMZZCADQPOQDLL-UHFFFAOYSA-N 1 2 346.214 2.956 20 5 EFBDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809969974 1282661497 /nfs/dbraw/zinc/66/14/97/1282661497.db2.gz JQJLLSLUOJSDRG-UHFFFAOYSA-N 1 2 349.218 2.605 20 5 EFBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809969974 1282661511 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WGABNLBAJQIDPS-INIZCTEOSA-N 1 2 331.416 2.674 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1(F)F ZINC000811779287 1284595305 /nfs/dbraw/zinc/59/53/05/1284595305.db2.gz OBXWMMYADTWKHN-NSHDSACASA-N 1 2 337.330 2.788 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1(F)F ZINC000811779287 1284595312 /nfs/dbraw/zinc/59/53/12/1284595312.db2.gz OBXWMMYADTWKHN-NSHDSACASA-N 1 2 337.330 2.788 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCCNc2ncccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001094913403 1286147201 /nfs/dbraw/zinc/14/72/01/1286147201.db2.gz YTWRYOZYMNAEBV-UHFFFAOYSA-N 1 2 343.387 2.542 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC001094913387 1286147719 /nfs/dbraw/zinc/14/77/19/1286147719.db2.gz XRUMULMCYUULEZ-UHFFFAOYSA-N 1 2 343.387 2.542 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@@H]2C2CC2)c1F ZINC001173194005 1286459550 /nfs/dbraw/zinc/45/95/50/1286459550.db2.gz WGMOOKKQASRKII-XHDPSFHLSA-N 1 2 338.379 2.784 20 5 EFBDLO 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BAZMPCRMMIXUEJ-STQMWFEESA-N 1 2 331.328 2.505 20 5 EFBDLO Cc1ccnc(OC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000886122682 1294713413 /nfs/dbraw/zinc/71/34/13/1294713413.db2.gz HHYQDXNLQNZXGT-UHFFFAOYSA-N 1 2 328.372 2.737 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000886174600 1294750460 /nfs/dbraw/zinc/75/04/60/1294750460.db2.gz FBOCZXIXPFEUIC-UHFFFAOYSA-N 1 2 332.335 2.567 20 5 EFBDLO O=[N+]([O-])c1cc(O)cc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001201221654 1296670005 /nfs/dbraw/zinc/67/00/05/1296670005.db2.gz FBIQJKNPKADTJF-UHFFFAOYSA-N 1 2 329.356 2.876 20 5 EFBDLO CC(C)C1(C)CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000777560800 1296836407 /nfs/dbraw/zinc/83/64/07/1296836407.db2.gz VPKOGKYEEDMGHW-UHFFFAOYSA-N 1 2 345.399 2.906 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1[N+](=O)[O-] ZINC000851897829 1299455688 /nfs/dbraw/zinc/45/56/88/1299455688.db2.gz RJJTVAKWBSLHNE-JTQLQIEISA-N 1 2 346.343 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000776578094 1299616219 /nfs/dbraw/zinc/61/62/19/1299616219.db2.gz AWHGLPYBNVYRCX-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000776578094 1299616228 /nfs/dbraw/zinc/61/62/28/1299616228.db2.gz AWHGLPYBNVYRCX-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO COC(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000852767033 1299876065 /nfs/dbraw/zinc/87/60/65/1299876065.db2.gz NGRXNYSGFZLMCC-UHFFFAOYSA-N 1 2 327.768 2.569 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853616373 1300195408 /nfs/dbraw/zinc/19/54/08/1300195408.db2.gz VDEQEYHANUIAKI-AAEUAGOBSA-N 1 2 341.358 2.832 20 5 EFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(C)COC1 ZINC000862477865 1302393521 /nfs/dbraw/zinc/39/35/21/1302393521.db2.gz SZDYBJGIPUREOP-UHFFFAOYSA-N 1 2 329.194 2.826 20 5 EFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(C)COC1 ZINC000862477865 1302393538 /nfs/dbraw/zinc/39/35/38/1302393538.db2.gz SZDYBJGIPUREOP-UHFFFAOYSA-N 1 2 329.194 2.826 20 5 EFBDLO CC[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000119366273 1302573912 /nfs/dbraw/zinc/57/39/12/1302573912.db2.gz ZLEXFCFEPUCPKT-AWEZNQCLSA-N 1 2 347.415 2.654 20 5 EFBDLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000863676881 1302681232 /nfs/dbraw/zinc/68/12/32/1302681232.db2.gz DODSCIWHVIDFRY-IINYFYTJSA-N 1 2 344.327 2.843 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617271 1302860924 /nfs/dbraw/zinc/86/09/24/1302860924.db2.gz UWTDWRMCVSVBRX-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617271 1302860936 /nfs/dbraw/zinc/86/09/36/1302860936.db2.gz UWTDWRMCVSVBRX-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO CC1CCC([N@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000794619303 1302862056 /nfs/dbraw/zinc/86/20/56/1302862056.db2.gz HTPNREUFHAUBKK-UHFFFAOYSA-N 1 2 346.387 2.880 20 5 EFBDLO CC1CCC([N@@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000794619303 1302862071 /nfs/dbraw/zinc/86/20/71/1302862071.db2.gz HTPNREUFHAUBKK-UHFFFAOYSA-N 1 2 346.387 2.880 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCCc2sccc2C1 ZINC000794626642 1302869764 /nfs/dbraw/zinc/86/97/64/1302869764.db2.gz ULDCXPNSKHRXKM-UHFFFAOYSA-N 1 2 345.380 2.970 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCCc2sccc2C1 ZINC000794626642 1302869781 /nfs/dbraw/zinc/86/97/81/1302869781.db2.gz ULDCXPNSKHRXKM-UHFFFAOYSA-N 1 2 345.380 2.970 20 5 EFBDLO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630419 1302875191 /nfs/dbraw/zinc/87/51/91/1302875191.db2.gz GZTRFMMDBKQFDU-GFCCVEGCSA-N 1 2 334.376 2.737 20 5 EFBDLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630419 1302875202 /nfs/dbraw/zinc/87/52/02/1302875202.db2.gz GZTRFMMDBKQFDU-GFCCVEGCSA-N 1 2 334.376 2.737 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635083 1302876408 /nfs/dbraw/zinc/87/64/08/1302876408.db2.gz UPTXJBQDNHVDKH-GFCCVEGCSA-N 1 2 339.351 2.907 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635083 1302876417 /nfs/dbraw/zinc/87/64/17/1302876417.db2.gz UPTXJBQDNHVDKH-GFCCVEGCSA-N 1 2 339.351 2.907 20 5 EFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794632424 1302877820 /nfs/dbraw/zinc/87/78/20/1302877820.db2.gz JXARRERCCWALLO-KBPBESRZSA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794632424 1302877835 /nfs/dbraw/zinc/87/78/35/1302877835.db2.gz JXARRERCCWALLO-KBPBESRZSA-N 1 2 349.387 2.596 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000866583037 1303697281 /nfs/dbraw/zinc/69/72/81/1303697281.db2.gz RTAUWRYNLPHUGB-WFASDCNBSA-N 1 2 346.362 2.583 20 5 EFBDLO CS[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000870581696 1305412484 /nfs/dbraw/zinc/41/24/84/1305412484.db2.gz ZATXDBOALLTIDR-TXEJJXNPSA-N 1 2 333.369 2.831 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218007939 1315132394 /nfs/dbraw/zinc/13/23/94/1315132394.db2.gz SLLLOUNKFQGLLX-SNVBAGLBSA-N 1 2 326.221 2.990 20 5 EFBDLO CC1(NC(=O)C2CCC2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045342107 1307258178 /nfs/dbraw/zinc/25/81/78/1307258178.db2.gz ARPKBJGVNUMXGL-UHFFFAOYSA-N 1 2 337.445 2.927 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000800865487 1308572755 /nfs/dbraw/zinc/57/27/55/1308572755.db2.gz DQCXGBNLOMKYEX-IAGOWNOFSA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000800865487 1308572759 /nfs/dbraw/zinc/57/27/59/1308572759.db2.gz DQCXGBNLOMKYEX-IAGOWNOFSA-N 1 2 331.416 2.818 20 5 EFBDLO Nc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001209935979 1314261070 /nfs/dbraw/zinc/26/10/70/1314261070.db2.gz GZKAZERSXQQQGY-UHFFFAOYSA-N 1 2 328.372 2.753 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001210443818 1314334618 /nfs/dbraw/zinc/33/46/18/1314334618.db2.gz PMIBTMMNPYCINE-UHFFFAOYSA-N 1 2 344.371 2.703 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCOC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001224777057 1311433798 /nfs/dbraw/zinc/43/37/98/1311433798.db2.gz JSBXHBYBNIRVQS-UHFFFAOYSA-N 1 2 328.368 2.875 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000015129977 1311521252 /nfs/dbraw/zinc/52/12/52/1311521252.db2.gz CWWGWHGIGZRWPJ-CYBMUJFWSA-N 1 2 325.796 2.549 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225919064 1311590464 /nfs/dbraw/zinc/59/04/64/1311590464.db2.gz OKBJILUDOUFWKD-JTQLQIEISA-N 1 2 334.294 2.713 20 5 EFBDLO COc1cc(Br)c(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226281053 1311641859 /nfs/dbraw/zinc/64/18/59/1311641859.db2.gz ITPOQXIVFSATEX-SECBINFHSA-N 1 2 345.193 2.839 20 5 EFBDLO COc1cc(Br)c(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226281053 1311641860 /nfs/dbraw/zinc/64/18/60/1311641860.db2.gz ITPOQXIVFSATEX-SECBINFHSA-N 1 2 345.193 2.839 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226514478 1311681011 /nfs/dbraw/zinc/68/10/11/1311681011.db2.gz LPHKMAKFIBBVMJ-CQSZACIVSA-N 1 2 325.364 2.656 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226514478 1311681013 /nfs/dbraw/zinc/68/10/13/1311681013.db2.gz LPHKMAKFIBBVMJ-CQSZACIVSA-N 1 2 325.364 2.656 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226760582 1311719494 /nfs/dbraw/zinc/71/94/94/1311719494.db2.gz BQMCVQZZQYTMHW-QGZVFWFLSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226760582 1311719496 /nfs/dbraw/zinc/71/94/96/1311719496.db2.gz BQMCVQZZQYTMHW-QGZVFWFLSA-N 1 2 343.383 2.578 20 5 EFBDLO CC(C)(C)[NH+]1CC(Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256161 1311783813 /nfs/dbraw/zinc/78/38/13/1311783813.db2.gz DBNGYTBTSLNIBU-UHFFFAOYSA-N 1 2 330.182 2.614 20 5 EFBDLO Cc1nc(O[C@H]2C[NH+]3CCC2CC3)c(Br)cc1[N+](=O)[O-] ZINC001228621470 1311971338 /nfs/dbraw/zinc/97/13/38/1311971338.db2.gz UDMMKOSBYLMIEQ-LBPRGKRZSA-N 1 2 342.193 2.534 20 5 EFBDLO O=[N+]([O-])c1cnccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001213035932 1311973429 /nfs/dbraw/zinc/97/34/29/1311973429.db2.gz ODWXVXZKXUGARY-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228880911 1312014880 /nfs/dbraw/zinc/01/48/80/1312014880.db2.gz ZUVSSWKITSVKLK-KSSFIOAISA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228880911 1312014881 /nfs/dbraw/zinc/01/48/81/1312014881.db2.gz ZUVSSWKITSVKLK-KSSFIOAISA-N 1 2 343.383 2.658 20 5 EFBDLO CSc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000802788578 1312023687 /nfs/dbraw/zinc/02/36/87/1312023687.db2.gz JNJROCQBBCDTNM-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO CCC1(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001229065233 1312043346 /nfs/dbraw/zinc/04/33/46/1312043346.db2.gz NKUHGKCFMFHFMX-UHFFFAOYSA-N 1 2 337.445 2.927 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229830935 1312147028 /nfs/dbraw/zinc/14/70/28/1312147028.db2.gz INLRIFDEJRFSQQ-SNVBAGLBSA-N 1 2 334.294 2.713 20 5 EFBDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001162877907 1312195601 /nfs/dbraw/zinc/19/56/01/1312195601.db2.gz UNKDFBVLZNOJJY-CYBMUJFWSA-N 1 2 342.827 2.802 20 5 EFBDLO C[N@@H+]1CCC[C@@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230931750 1312395096 /nfs/dbraw/zinc/39/50/96/1312395096.db2.gz NIOQDRLIGBEAAL-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@H+]1CCC[C@@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230931750 1312395100 /nfs/dbraw/zinc/39/51/00/1312395100.db2.gz NIOQDRLIGBEAAL-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082773 1312426070 /nfs/dbraw/zinc/42/60/70/1312426070.db2.gz ZCGWDWHJWXUGRS-NSHDSACASA-N 1 2 327.344 2.957 20 5 EFBDLO Cc1c(Br)c(O[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092062 1312428289 /nfs/dbraw/zinc/42/82/89/1312428289.db2.gz AQEOIXBUUQCPTL-VIFPVBQESA-N 1 2 330.182 2.534 20 5 EFBDLO Cc1c(Br)c(O[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092062 1312428291 /nfs/dbraw/zinc/42/82/91/1312428291.db2.gz AQEOIXBUUQCPTL-VIFPVBQESA-N 1 2 330.182 2.534 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[NH2+]CC(F)(F)C3)c2c1 ZINC001164497034 1312525987 /nfs/dbraw/zinc/52/59/87/1312525987.db2.gz ATCFCNATVKYIHR-UHFFFAOYSA-N 1 2 342.733 2.841 20 5 EFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803362205 1312549484 /nfs/dbraw/zinc/54/94/84/1312549484.db2.gz XMDUAZIFRHXUIX-AWEZNQCLSA-N 1 2 328.315 2.791 20 5 EFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803362205 1312549488 /nfs/dbraw/zinc/54/94/88/1312549488.db2.gz XMDUAZIFRHXUIX-AWEZNQCLSA-N 1 2 328.315 2.791 20 5 EFBDLO CCOC(=O)c1c[nH+]c(N)n1-c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215581770 1314853993 /nfs/dbraw/zinc/85/39/93/1314853993.db2.gz RIEOAIKQJQUYFQ-UHFFFAOYSA-N 1 2 345.142 2.846 20 5 EFBDLO C[N@@H+]1CCO[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248227160 1314908835 /nfs/dbraw/zinc/90/88/35/1314908835.db2.gz JGPXWUOYRNOFAF-HNNXBMFYSA-N 1 2 347.378 2.836 20 5 EFBDLO C[N@H+]1CCO[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248227160 1314908839 /nfs/dbraw/zinc/90/88/39/1314908839.db2.gz JGPXWUOYRNOFAF-HNNXBMFYSA-N 1 2 347.378 2.836 20 5 EFBDLO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccc(Cl)c1 ZINC001249068977 1315015699 /nfs/dbraw/zinc/01/56/99/1315015699.db2.gz PJRFLXRAYPDNRO-NSHDSACASA-N 1 2 349.709 2.880 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1CC[NH2+]CC1(F)F ZINC001218004477 1315131607 /nfs/dbraw/zinc/13/16/07/1315131607.db2.gz AAEIATFLNXYNPV-LLVKDONJSA-N 1 2 344.705 2.567 20 5 EFBDLO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005397 1315131950 /nfs/dbraw/zinc/13/19/50/1315131950.db2.gz FMKAPZFVGSXIIL-JTQLQIEISA-N 1 2 342.220 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218007938 1315132530 /nfs/dbraw/zinc/13/25/30/1315132530.db2.gz SLLLOUNKFQGLLX-JTQLQIEISA-N 1 2 326.221 2.990 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[NH2+]1 ZINC001218176382 1315159397 /nfs/dbraw/zinc/15/93/97/1315159397.db2.gz HNVQSQNGWFEAEX-ZBFHGGJFSA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218347899 1315182910 /nfs/dbraw/zinc/18/29/10/1315182910.db2.gz YCBWXNKIHQFOTG-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254561585 1315723891 /nfs/dbraw/zinc/72/38/91/1315723891.db2.gz MCMFEIFTUFGPNM-ZIAGYGMSSA-N 1 2 344.415 2.946 20 5 EFBDLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254561585 1315723894 /nfs/dbraw/zinc/72/38/94/1315723894.db2.gz MCMFEIFTUFGPNM-ZIAGYGMSSA-N 1 2 344.415 2.946 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC001254562676 1315724129 /nfs/dbraw/zinc/72/41/29/1315724129.db2.gz OLAUWHYSBYOAMW-OAHLLOKOSA-N 1 2 329.400 2.937 20 5 EFBDLO CCOC(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254580095 1315726881 /nfs/dbraw/zinc/72/68/81/1315726881.db2.gz BNPROTGOJMWTHT-HNNXBMFYSA-N 1 2 332.400 2.918 20 5 EFBDLO CC(C)(C)OC(=O)NC1(C)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603057 1315729798 /nfs/dbraw/zinc/72/97/98/1315729798.db2.gz LCNLBNGGBDJWDT-HNNXBMFYSA-N 1 2 347.415 2.661 20 5 EFBDLO COc1cc(N2CCC([NH2+][C@H]3CC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC001256082684 1315902961 /nfs/dbraw/zinc/90/29/61/1315902961.db2.gz IZZOHNSTLFEOCB-AWEZNQCLSA-N 1 2 327.331 2.569 20 5 EFBDLO Cc1c(C(=O)OCCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC001263476035 1316544689 /nfs/dbraw/zinc/54/46/89/1316544689.db2.gz HACDYZFPIUAMFS-UHFFFAOYSA-N 1 2 329.356 2.836 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317704817 1328311624 /nfs/dbraw/zinc/31/16/24/1328311624.db2.gz VGFBUZKRHAZMLJ-OLZOCXBDSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317704817 1328311633 /nfs/dbraw/zinc/31/16/33/1328311633.db2.gz VGFBUZKRHAZMLJ-OLZOCXBDSA-N 1 2 343.383 2.660 20 5 EFBDLO COC(=O)/C=C/c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001326891135 1330379450 /nfs/dbraw/zinc/37/94/50/1330379450.db2.gz MSCVCSUMXQVYCP-VOTSOKGWSA-N 1 2 342.351 2.932 20 5 EFBDLO COC(=O)/C=C/c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001326891135 1330379455 /nfs/dbraw/zinc/37/94/55/1330379455.db2.gz MSCVCSUMXQVYCP-VOTSOKGWSA-N 1 2 342.351 2.932 20 5 EFBDLO COC(=O)/C=C\c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001326891133 1330379827 /nfs/dbraw/zinc/37/98/27/1330379827.db2.gz MSCVCSUMXQVYCP-SREVYHEPSA-N 1 2 342.351 2.932 20 5 EFBDLO COC(=O)/C=C\c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001326891133 1330379832 /nfs/dbraw/zinc/37/98/32/1330379832.db2.gz MSCVCSUMXQVYCP-SREVYHEPSA-N 1 2 342.351 2.932 20 5 EFBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361892 1331125332 /nfs/dbraw/zinc/12/53/32/1331125332.db2.gz AMPLIWLKKRWJHP-LLVKDONJSA-N 1 2 346.353 2.661 20 5 EFBDLO COc1cc(N2CCC[N@H+](Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001339511399 1331885593 /nfs/dbraw/zinc/88/55/93/1331885593.db2.gz GTOKFKFDRSSXDT-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO COc1cc(N2CCC[N@@H+](Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001339511399 1331885596 /nfs/dbraw/zinc/88/55/96/1331885596.db2.gz GTOKFKFDRSSXDT-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001343732266 1332374198 /nfs/dbraw/zinc/37/41/98/1332374198.db2.gz FJSUAAIKZKBPQF-UHFFFAOYSA-N 1 2 349.362 2.921 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(Cc3ccncc3)o2)ccc1-n1cc[nH+]c1 ZINC001345972499 1332589380 /nfs/dbraw/zinc/58/93/80/1332589380.db2.gz RNNPLHWZASXQDM-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO CN(C(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001347089567 1332716999 /nfs/dbraw/zinc/71/69/99/1332716999.db2.gz CFYIAYZMAZCDIL-UHFFFAOYSA-N 1 2 325.368 2.964 20 5 EFBDLO CN(C(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001347089567 1332717002 /nfs/dbraw/zinc/71/70/02/1332717002.db2.gz CFYIAYZMAZCDIL-UHFFFAOYSA-N 1 2 325.368 2.964 20 5 EFBDLO Cn1cc[nH+]c1CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001349027815 1332897173 /nfs/dbraw/zinc/89/71/73/1332897173.db2.gz LQIGJMAPCVZWRR-INIZCTEOSA-N 1 2 346.412 2.535 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1C ZINC001352854542 1333769517 /nfs/dbraw/zinc/76/95/17/1333769517.db2.gz LDRMXIOIZAGKAG-UHFFFAOYSA-N 1 2 348.428 2.801 20 5 EFBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)co1 ZINC001002678872 1334614309 /nfs/dbraw/zinc/61/43/09/1334614309.db2.gz FLMROMAURISYLY-UHFFFAOYSA-N 1 2 349.412 2.952 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CCn3c[nH+]cc3C2)ccc1Br ZINC000811515120 712995566 /nfs/dbraw/zinc/99/55/66/712995566.db2.gz MSPZMFVNIGSFQB-UHFFFAOYSA-N 1 2 337.177 2.570 20 5 EFBDLO CSCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000890872919 713533389 /nfs/dbraw/zinc/53/33/89/713533389.db2.gz PWLPGGWWCRLVAX-UHFFFAOYSA-N 1 2 334.401 2.652 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000891784414 715016949 /nfs/dbraw/zinc/01/69/49/715016949.db2.gz XBNSHWITHOZVLE-LBPRGKRZSA-N 1 2 332.360 2.777 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2C1 ZINC000728833576 724484413 /nfs/dbraw/zinc/48/44/13/724484413.db2.gz HNSSDVIHMGIZMA-UHFFFAOYSA-N 1 2 329.331 2.826 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2C1 ZINC000728833576 724484415 /nfs/dbraw/zinc/48/44/15/724484415.db2.gz HNSSDVIHMGIZMA-UHFFFAOYSA-N 1 2 329.331 2.826 20 5 EFBDLO Cc1cc(F)cc(C(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000178069686 718246340 /nfs/dbraw/zinc/24/63/40/718246340.db2.gz LNTRQULLGAZNOR-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO Cc1coc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000893053209 719542568 /nfs/dbraw/zinc/54/25/68/719542568.db2.gz MWDNFDUMGNKLAP-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1coc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000893053209 719542571 /nfs/dbraw/zinc/54/25/71/719542571.db2.gz MWDNFDUMGNKLAP-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)CCCC1 ZINC001025931058 719548141 /nfs/dbraw/zinc/54/81/41/719548141.db2.gz YWHUZHLZESDOFQ-NHAGDIPZSA-N 1 2 349.456 2.783 20 5 EFBDLO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)CCCC1 ZINC001025931058 719548143 /nfs/dbraw/zinc/54/81/43/719548143.db2.gz YWHUZHLZESDOFQ-NHAGDIPZSA-N 1 2 349.456 2.783 20 5 EFBDLO Cc1cc(F)cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000122733413 719743830 /nfs/dbraw/zinc/74/38/30/719743830.db2.gz XICLGIPRVBHEEO-UHFFFAOYSA-N 1 2 346.362 2.548 20 5 EFBDLO CN(C)c1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000894063317 720258843 /nfs/dbraw/zinc/25/88/43/720258843.db2.gz LPOIBHMOFIRLOZ-CQSZACIVSA-N 1 2 327.388 2.835 20 5 EFBDLO CN(C)c1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000894063317 720258844 /nfs/dbraw/zinc/25/88/44/720258844.db2.gz LPOIBHMOFIRLOZ-CQSZACIVSA-N 1 2 327.388 2.835 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029211223 723087429 /nfs/dbraw/zinc/08/74/29/723087429.db2.gz BOTQPJUENBOYDY-CALCHBBNSA-N 1 2 341.367 2.677 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029211223 723087431 /nfs/dbraw/zinc/08/74/31/723087431.db2.gz BOTQPJUENBOYDY-CALCHBBNSA-N 1 2 341.367 2.677 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000895123737 723356699 /nfs/dbraw/zinc/35/66/99/723356699.db2.gz HVRQFHPXCGVWGZ-LBPRGKRZSA-N 1 2 336.388 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000895123737 723356703 /nfs/dbraw/zinc/35/67/03/723356703.db2.gz HVRQFHPXCGVWGZ-LBPRGKRZSA-N 1 2 336.388 2.843 20 5 EFBDLO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895249719 723938479 /nfs/dbraw/zinc/93/84/79/723938479.db2.gz VADKNPQETWQUDN-GXFFZTMASA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895249719 723938481 /nfs/dbraw/zinc/93/84/81/723938481.db2.gz VADKNPQETWQUDN-GXFFZTMASA-N 1 2 346.353 2.660 20 5 EFBDLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000727491786 724078750 /nfs/dbraw/zinc/07/87/50/724078750.db2.gz OIHJNDHYMXOMRP-OAHLLOKOSA-N 1 2 330.388 2.944 20 5 EFBDLO Cc1c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000727496852 724085442 /nfs/dbraw/zinc/08/54/42/724085442.db2.gz SKGXMQNKHAXFTG-HNNXBMFYSA-N 1 2 330.388 2.944 20 5 EFBDLO CCOC(=O)N(C)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000728927770 724899632 /nfs/dbraw/zinc/89/96/32/724899632.db2.gz GIJSJVWXLUVUCS-UHFFFAOYSA-N 1 2 339.367 2.787 20 5 EFBDLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000925239591 725030404 /nfs/dbraw/zinc/03/04/04/725030404.db2.gz XXXQVWMSFOSQLE-CYBMUJFWSA-N 1 2 331.376 2.584 20 5 EFBDLO COCC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000835219730 726800425 /nfs/dbraw/zinc/80/04/25/726800425.db2.gz OWFIIGRRVDNVNK-INIZCTEOSA-N 1 2 347.371 2.998 20 5 EFBDLO CN(C)c1cc(COC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000910028074 727404499 /nfs/dbraw/zinc/40/44/99/727404499.db2.gz PFSINOPGYLXOPN-JKSUJKDBSA-N 1 2 341.367 2.903 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000917429033 727807442 /nfs/dbraw/zinc/80/74/42/727807442.db2.gz GVXFJTNPLIJANZ-ZDUSSCGKSA-N 1 2 336.779 2.946 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000917429033 727807444 /nfs/dbraw/zinc/80/74/44/727807444.db2.gz GVXFJTNPLIJANZ-ZDUSSCGKSA-N 1 2 336.779 2.946 20 5 EFBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156433091 727917213 /nfs/dbraw/zinc/91/72/13/727917213.db2.gz SNGVISDNTUWTQC-HUUCEWRRSA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156433091 727917216 /nfs/dbraw/zinc/91/72/16/727917216.db2.gz SNGVISDNTUWTQC-HUUCEWRRSA-N 1 2 349.387 2.596 20 5 EFBDLO Cc1cccc2c1CC[N@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000170903950 728493490 /nfs/dbraw/zinc/49/34/90/728493490.db2.gz ZAWPVTSXYOVWBB-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1cccc2c1CC[N@@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000170903950 728493493 /nfs/dbraw/zinc/49/34/93/728493493.db2.gz ZAWPVTSXYOVWBB-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1csc([N+](=O)[O-])c1 ZINC000921150195 729265556 /nfs/dbraw/zinc/26/55/56/729265556.db2.gz NBHXWBLPDMIABX-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519765 729524300 /nfs/dbraw/zinc/52/43/00/729524300.db2.gz WBXMQCGELDKQBK-CABCVRRESA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519765 729524304 /nfs/dbraw/zinc/52/43/04/729524304.db2.gz WBXMQCGELDKQBK-CABCVRRESA-N 1 2 337.395 2.955 20 5 EFBDLO CC(C)[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000780498924 1092460381 /nfs/dbraw/zinc/46/03/81/1092460381.db2.gz QLCPUTIZMQSOAW-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000780498924 1092460386 /nfs/dbraw/zinc/46/03/86/1092460386.db2.gz QLCPUTIZMQSOAW-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO Nc1cc(CNc2nc3cc([N+](=O)[O-])ccc3nc2Cl)cc[nH+]1 ZINC001167615050 1093109622 /nfs/dbraw/zinc/10/96/22/1093109622.db2.gz XCAHPLVWSKBHOC-UHFFFAOYSA-N 1 2 330.735 2.781 20 5 EFBDLO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843694304 1095722742 /nfs/dbraw/zinc/72/27/42/1095722742.db2.gz YGJUWLKTBBFZIA-HZPDHXFCSA-N 1 2 349.456 2.868 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001602403389 1096223626 /nfs/dbraw/zinc/22/36/26/1096223626.db2.gz FKXOKPCATYVDRD-MRXNPFEDSA-N 1 2 347.415 2.743 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001602403389 1096223633 /nfs/dbraw/zinc/22/36/33/1096223633.db2.gz FKXOKPCATYVDRD-MRXNPFEDSA-N 1 2 347.415 2.743 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001602403386 1096223712 /nfs/dbraw/zinc/22/37/12/1096223712.db2.gz FKXOKPCATYVDRD-INIZCTEOSA-N 1 2 347.415 2.743 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001602403386 1096223713 /nfs/dbraw/zinc/22/37/13/1096223713.db2.gz FKXOKPCATYVDRD-INIZCTEOSA-N 1 2 347.415 2.743 20 5 EFBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609142447 1098166750 /nfs/dbraw/zinc/16/67/50/1098166750.db2.gz ZPHAAMJGEZQHQL-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609142447 1098166756 /nfs/dbraw/zinc/16/67/56/1098166756.db2.gz ZPHAAMJGEZQHQL-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)cc(C)[nH+]1 ZINC001609402354 1098291859 /nfs/dbraw/zinc/29/18/59/1098291859.db2.gz ZTDZUJAOFLUQFF-UHFFFAOYSA-N 1 2 339.359 2.707 20 5 EFBDLO CCn1cc(C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C(C)C)cn1 ZINC000895162051 1100414147 /nfs/dbraw/zinc/41/41/47/1100414147.db2.gz UVWNMDGAYCOEHR-UHFFFAOYSA-N 1 2 348.403 2.936 20 5 EFBDLO CCn1cc(C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C(C)C)cn1 ZINC000895162051 1100414151 /nfs/dbraw/zinc/41/41/51/1100414151.db2.gz UVWNMDGAYCOEHR-UHFFFAOYSA-N 1 2 348.403 2.936 20 5 EFBDLO CC1(C)CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000840579122 1101146164 /nfs/dbraw/zinc/14/61/64/1101146164.db2.gz BJJMPKHGVWWEMP-AWEZNQCLSA-N 1 2 343.339 2.695 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000843789476 1104571945 /nfs/dbraw/zinc/57/19/45/1104571945.db2.gz QTYIIIDSWYOKIU-LBPRGKRZSA-N 1 2 332.335 2.716 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000300485923 1105215931 /nfs/dbraw/zinc/21/59/31/1105215931.db2.gz CGPNCCUVDOBVTK-JOYOIKCWSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000300485923 1105215933 /nfs/dbraw/zinc/21/59/33/1105215933.db2.gz CGPNCCUVDOBVTK-JOYOIKCWSA-N 1 2 329.194 2.560 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897567630 1105754021 /nfs/dbraw/zinc/75/40/21/1105754021.db2.gz LTNKIZGRJOTRJU-KRWDZBQOSA-N 1 2 330.388 2.519 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897567630 1105754025 /nfs/dbraw/zinc/75/40/25/1105754025.db2.gz LTNKIZGRJOTRJU-KRWDZBQOSA-N 1 2 330.388 2.519 20 5 EFBDLO O=C1CCCN1C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000897786699 1106095740 /nfs/dbraw/zinc/09/57/40/1106095740.db2.gz VZDUUVIJLYHZLT-UHFFFAOYSA-N 1 2 341.367 2.661 20 5 EFBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc(C(F)(F)F)c1 ZINC001168369976 1108407242 /nfs/dbraw/zinc/40/72/42/1108407242.db2.gz RGIDHVAEBKODCF-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc(C(F)(F)F)c1 ZINC001168369976 1108407255 /nfs/dbraw/zinc/40/72/55/1108407255.db2.gz RGIDHVAEBKODCF-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000436104468 1110125397 /nfs/dbraw/zinc/12/53/97/1110125397.db2.gz OECJNDGXJSKHDA-LLVKDONJSA-N 1 2 347.350 2.879 20 5 EFBDLO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000914795600 1111385330 /nfs/dbraw/zinc/38/53/30/1111385330.db2.gz WMKMYZLKBINUBI-GWCFXTLKSA-N 1 2 334.376 2.660 20 5 EFBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106802401 1111857260 /nfs/dbraw/zinc/85/72/60/1111857260.db2.gz FFEGXIGEFKTHDX-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106803181 1111857817 /nfs/dbraw/zinc/85/78/17/1111857817.db2.gz UHEKUSGBQJMTHQ-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CCc1c[nH]c[nH+]1 ZINC001106979422 1118976188 /nfs/dbraw/zinc/97/61/88/1118976188.db2.gz NYUIBJZJHDJYLU-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CCc1c[nH+]c[nH]1 ZINC001106979422 1118976189 /nfs/dbraw/zinc/97/61/89/1118976189.db2.gz NYUIBJZJHDJYLU-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CC(C)C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000072916857 1120257373 /nfs/dbraw/zinc/25/73/73/1120257373.db2.gz RJPHKDHYEJEFEY-LBPRGKRZSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000072916857 1120257378 /nfs/dbraw/zinc/25/73/78/1120257378.db2.gz 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COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184736630 235480806 /nfs/dbraw/zinc/48/08/06/235480806.db2.gz IGZIRYUHCHPRSE-WFASDCNBSA-N 1 2 347.371 2.801 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000436895477 299244970 /nfs/dbraw/zinc/24/49/70/299244970.db2.gz VFVLFWWETQAJFN-YVEFUNNKSA-N 1 2 343.383 2.722 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899384 299245247 /nfs/dbraw/zinc/24/52/47/299245247.db2.gz TUPVODPZAYDVDB-QWHCGFSZSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899384 299245254 /nfs/dbraw/zinc/24/52/54/299245254.db2.gz TUPVODPZAYDVDB-QWHCGFSZSA-N 1 2 347.415 2.683 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000072292992 216128851 /nfs/dbraw/zinc/12/88/51/216128851.db2.gz PLIYEUUEPQVPCP-NSHDSACASA-N 1 2 334.401 2.579 20 5 EFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073167285 216359174 /nfs/dbraw/zinc/35/91/74/216359174.db2.gz UITHXYNFNQCFET-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073167285 216359179 /nfs/dbraw/zinc/35/91/79/216359179.db2.gz UITHXYNFNQCFET-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000073209089 216363560 /nfs/dbraw/zinc/36/35/60/216363560.db2.gz VSQDWMPNRVQZKP-HNNXBMFYSA-N 1 2 346.387 2.571 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000191360502 239064426 /nfs/dbraw/zinc/06/44/26/239064426.db2.gz JBRXCNZEZQZFAS-UHFFFAOYSA-N 1 2 331.376 2.962 20 5 EFBDLO Cn1c2ccccc2[nH+]c1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192154766 240029248 /nfs/dbraw/zinc/02/92/48/240029248.db2.gz JFVAXUZRZCMWRF-LBPRGKRZSA-N 1 2 338.371 2.567 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCC2 ZINC000193286378 240090992 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GTVQMNREFRODCA-UHFFFAOYSA-N 1 2 335.404 2.710 20 5 EFBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078543375 217071506 /nfs/dbraw/zinc/07/15/06/217071506.db2.gz HJQILGYYBAYNBM-LLVKDONJSA-N 1 2 346.353 2.661 20 5 EFBDLO Cc1nn(C)c(Nc2ccc([NH2+]C3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000078727535 217110051 /nfs/dbraw/zinc/11/00/51/217110051.db2.gz NBRHVVAELCAFNP-UHFFFAOYSA-N 1 2 331.376 2.971 20 5 EFBDLO O=C(Nc1cc[nH+]cc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000109890416 284383714 /nfs/dbraw/zinc/38/37/14/284383714.db2.gz NCXVQMLXPHRCSU-UHFFFAOYSA-N 1 2 328.328 2.548 20 5 EFBDLO CCN(CC)C(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000339036103 284462849 /nfs/dbraw/zinc/46/28/49/284462849.db2.gz HTECZRWHGQRVPA-UHFFFAOYSA-N 1 2 349.431 2.961 20 5 EFBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1)[NH+]1CCOCC1 ZINC000264272401 246271965 /nfs/dbraw/zinc/27/19/65/246271965.db2.gz SAJGWVDVTATDBU-LBPRGKRZSA-N 1 2 344.371 2.568 20 5 EFBDLO O=C(NCC1CCSCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264951432 247080277 /nfs/dbraw/zinc/08/02/77/247080277.db2.gz WKNAZYKBVVAVGW-UHFFFAOYSA-N 1 2 346.412 2.654 20 5 EFBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 ZINC000426322065 247261015 /nfs/dbraw/zinc/26/10/15/247261015.db2.gz HFKUBDXHSGWHOA-UHFFFAOYSA-N 1 2 325.328 2.716 20 5 EFBDLO CN(C)c1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000429868925 247698686 /nfs/dbraw/zinc/69/86/86/247698686.db2.gz UHYUHPHIPURRTK-UHFFFAOYSA-N 1 2 342.399 2.650 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)[C@H]2CCCSC2)c(F)c1 ZINC000433193472 248025965 /nfs/dbraw/zinc/02/59/65/248025965.db2.gz QNZNXHWYAKGSQX-JTQLQIEISA-N 1 2 332.372 2.563 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)[C@H]2CCCSC2)c(F)c1 ZINC000433193472 248025968 /nfs/dbraw/zinc/02/59/68/248025968.db2.gz QNZNXHWYAKGSQX-JTQLQIEISA-N 1 2 332.372 2.563 20 5 EFBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000433806952 248090971 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340.383 2.572 20 5 EFBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091988963 218100375 /nfs/dbraw/zinc/10/03/75/218100375.db2.gz HCBNAURFPKXRIU-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000009984058 211137922 /nfs/dbraw/zinc/13/79/22/211137922.db2.gz CXRKNORCQCZJBA-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000009984058 211137925 /nfs/dbraw/zinc/13/79/25/211137925.db2.gz CXRKNORCQCZJBA-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)nc2c1 ZINC000443069108 250157690 /nfs/dbraw/zinc/15/76/90/250157690.db2.gz XBRCMLKEWJYTDW-UHFFFAOYSA-N 1 2 340.265 2.503 20 5 EFBDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093413803 218222270 /nfs/dbraw/zinc/22/22/70/218222270.db2.gz CVIHUNURYGYQKL-PLWJUESGSA-N 1 2 340.445 2.753 20 5 EFBDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093413803 218222272 /nfs/dbraw/zinc/22/22/72/218222272.db2.gz CVIHUNURYGYQKL-PLWJUESGSA-N 1 2 340.445 2.753 20 5 EFBDLO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093589047 218235142 /nfs/dbraw/zinc/23/51/42/218235142.db2.gz QGDIEGRAHMOBBH-UHFFFAOYSA-N 1 2 336.388 2.757 20 5 EFBDLO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093589047 218235145 /nfs/dbraw/zinc/23/51/45/218235145.db2.gz QGDIEGRAHMOBBH-UHFFFAOYSA-N 1 2 336.388 2.757 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000444688899 250328088 /nfs/dbraw/zinc/32/80/88/250328088.db2.gz DNLGHRXHHPOMEZ-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000444688899 250328093 /nfs/dbraw/zinc/32/80/93/250328093.db2.gz DNLGHRXHHPOMEZ-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)nc2c1 ZINC000444678856 250327183 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2.522 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095409436 218345753 /nfs/dbraw/zinc/34/57/53/218345753.db2.gz QRYLBLWWMJQUPP-GJZGRUSLSA-N 1 2 344.408 2.522 20 5 EFBDLO Cc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)s1 ZINC000267383932 251006783 /nfs/dbraw/zinc/00/67/83/251006783.db2.gz BGXCLYXCPPCAKY-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO CC(C)OCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449732461 251135081 /nfs/dbraw/zinc/13/50/81/251135081.db2.gz ZOGJYPJMOQDMBO-UHFFFAOYSA-N 1 2 338.404 2.706 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267520325 251124371 /nfs/dbraw/zinc/12/43/71/251124371.db2.gz FYSKJWSGRWZNJS-UHFFFAOYSA-N 1 2 340.387 2.770 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000267633571 251211029 /nfs/dbraw/zinc/21/10/29/251211029.db2.gz JWPAAYPELZAIHS-QWHCGFSZSA-N 1 2 331.376 2.549 20 5 EFBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000449997772 251225581 /nfs/dbraw/zinc/22/55/81/251225581.db2.gz VFFWQEBCKDRKDS-CYBMUJFWSA-N 1 2 346.412 2.748 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ncc1[N+](=O)[O-] ZINC000450220699 251303164 /nfs/dbraw/zinc/30/31/64/251303164.db2.gz KIKXJBRNHONGQK-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000268550181 252015326 /nfs/dbraw/zinc/01/53/26/252015326.db2.gz IJWKAFRFGXYRRL-UHFFFAOYSA-N 1 2 339.823 2.985 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454129668 252149578 /nfs/dbraw/zinc/14/95/78/252149578.db2.gz GGZANZVXNNWCCI-BXKDBHETSA-N 1 2 331.332 2.627 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3[nH]cc[nH+]3)cc2N1 ZINC000371594974 296332316 /nfs/dbraw/zinc/33/23/16/296332316.db2.gz AIWJIDGWFTZVLF-LBPRGKRZSA-N 1 2 327.344 2.544 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1cccs1 ZINC000153246339 224078741 /nfs/dbraw/zinc/07/87/41/224078741.db2.gz TZMBIUCRSDIIFQ-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1cccs1 ZINC000153246339 224078743 /nfs/dbraw/zinc/07/87/43/224078743.db2.gz TZMBIUCRSDIIFQ-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000454580863 252316383 /nfs/dbraw/zinc/31/63/83/252316383.db2.gz LSHASLLMKVLWDJ-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO COCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112354567 220310694 /nfs/dbraw/zinc/31/06/94/220310694.db2.gz JSAURQHHLHSYQO-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[C@H]1SCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000112644454 220363328 /nfs/dbraw/zinc/36/33/28/220363328.db2.gz UYTVWVAQGWMPKS-GHMZBOCLSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@H]1SCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000112644454 220363331 /nfs/dbraw/zinc/36/33/31/220363331.db2.gz UYTVWVAQGWMPKS-GHMZBOCLSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000178690034 533103529 /nfs/dbraw/zinc/10/35/29/533103529.db2.gz UBOPWPXUWBYRBM-CYBMUJFWSA-N 1 2 331.376 2.584 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000112670170 220370082 /nfs/dbraw/zinc/37/00/82/220370082.db2.gz WTQKLIPRTJPIQR-UHFFFAOYSA-N 1 2 328.372 2.650 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000112669177 220370280 /nfs/dbraw/zinc/37/02/80/220370280.db2.gz GTILHEBWZLYTOA-UHFFFAOYSA-N 1 2 334.401 2.712 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000358266632 285166221 /nfs/dbraw/zinc/16/62/21/285166221.db2.gz RYRGTLPMEDSQRM-UHFFFAOYSA-N 1 2 339.330 2.877 20 5 EFBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000153925886 224177300 /nfs/dbraw/zinc/17/73/00/224177300.db2.gz VOYQUSOMOKXVKE-VHSXEESVSA-N 1 2 334.825 2.502 20 5 EFBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000153925886 224177301 /nfs/dbraw/zinc/17/73/01/224177301.db2.gz VOYQUSOMOKXVKE-VHSXEESVSA-N 1 2 334.825 2.502 20 5 EFBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCS1 ZINC000153887738 224171601 /nfs/dbraw/zinc/17/16/01/224171601.db2.gz MCCDKLKTBQLZLQ-MRXNPFEDSA-N 1 2 346.412 2.796 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154328479 224237963 /nfs/dbraw/zinc/23/79/63/224237963.db2.gz ORKXOGBXTXTGCP-CVEARBPZSA-N 1 2 332.356 2.603 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154328479 224237965 /nfs/dbraw/zinc/23/79/65/224237965.db2.gz ORKXOGBXTXTGCP-CVEARBPZSA-N 1 2 332.356 2.603 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000118980143 221215876 /nfs/dbraw/zinc/21/58/76/221215876.db2.gz GEBVIYBXALRUCP-GFCCVEGCSA-N 1 2 346.774 2.652 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000184301113 533409969 /nfs/dbraw/zinc/40/99/69/533409969.db2.gz OUTOHPABSCMWMZ-UHFFFAOYSA-N 1 2 345.355 2.593 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000191870373 533434338 /nfs/dbraw/zinc/43/43/38/533434338.db2.gz GSTOTIPDVKMKHP-GWCFXTLKSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000191870373 533434341 /nfs/dbraw/zinc/43/43/41/533434341.db2.gz GSTOTIPDVKMKHP-GWCFXTLKSA-N 1 2 326.780 2.879 20 5 EFBDLO C[C@H]1COCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343516558 142010920 /nfs/dbraw/zinc/01/09/20/142010920.db2.gz IUSHCGHBDSZDEY-GOEBONIOSA-N 1 2 349.431 2.512 20 5 EFBDLO Cn1c[nH+]c2cc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc21 ZINC000344967360 142104552 /nfs/dbraw/zinc/10/45/52/142104552.db2.gz MJZWTEQPAQYNFI-UHFFFAOYSA-N 1 2 346.368 2.629 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000347499705 142226916 /nfs/dbraw/zinc/22/69/16/142226916.db2.gz QBIONVAFNYTZSZ-UHFFFAOYSA-N 1 2 343.368 2.714 20 5 EFBDLO CCC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000349339637 142322512 /nfs/dbraw/zinc/32/25/12/142322512.db2.gz DNGZXXRFMHPEIL-HNNXBMFYSA-N 1 2 330.392 2.622 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000349405032 142327823 /nfs/dbraw/zinc/32/78/23/142327823.db2.gz GXLBRDMNBNQFNR-JTQLQIEISA-N 1 2 344.236 2.551 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000349405032 142327824 /nfs/dbraw/zinc/32/78/24/142327824.db2.gz GXLBRDMNBNQFNR-JTQLQIEISA-N 1 2 344.236 2.551 20 5 EFBDLO C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339518199 144785096 /nfs/dbraw/zinc/78/50/96/144785096.db2.gz MNOITLIYHRQIEM-GXTWGEPZSA-N 1 2 328.372 2.947 20 5 EFBDLO CC(C)C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000341422040 145049367 /nfs/dbraw/zinc/04/93/67/145049367.db2.gz QJAJIVFWIQKXPU-ZDUSSCGKSA-N 1 2 325.384 2.893 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2[nH+]1 ZINC000342817554 145200509 /nfs/dbraw/zinc/20/05/09/145200509.db2.gz DUCWWDXXUAPFHV-UHFFFAOYSA-N 1 2 329.291 2.753 20 5 EFBDLO Cc1[nH]c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2[nH+]1 ZINC000342817554 145200511 /nfs/dbraw/zinc/20/05/11/145200511.db2.gz DUCWWDXXUAPFHV-UHFFFAOYSA-N 1 2 329.291 2.753 20 5 EFBDLO Cc1ccc(C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000342845501 145207851 /nfs/dbraw/zinc/20/78/51/145207851.db2.gz ZRNAPPFCOKLLLP-UHFFFAOYSA-N 1 2 340.383 2.781 20 5 EFBDLO Cc1ccn2cc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[nH+]c2c1 ZINC000342871737 145212891 /nfs/dbraw/zinc/21/28/91/145212891.db2.gz JVMZRFVTSHYZQM-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2[nH+]1 ZINC000344142303 145378279 /nfs/dbraw/zinc/37/82/79/145378279.db2.gz UUICWRDHOGKRGB-UHFFFAOYSA-N 1 2 331.357 2.851 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cn2c1 ZINC000344183985 145386844 /nfs/dbraw/zinc/38/68/44/145386844.db2.gz YFQCNFCFSQCEKM-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344204997 145392137 /nfs/dbraw/zinc/39/21/37/145392137.db2.gz DJWBDKBILSPJMF-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347137517 145798399 /nfs/dbraw/zinc/79/83/99/145798399.db2.gz UPXRMSXUHSQWIY-UHFFFAOYSA-N 1 2 332.335 2.539 20 5 EFBDLO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000349011523 146037022 /nfs/dbraw/zinc/03/70/22/146037022.db2.gz YNKOMZLCRGSKHQ-ZDUSSCGKSA-N 1 2 349.431 2.931 20 5 EFBDLO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000349011523 146037023 /nfs/dbraw/zinc/03/70/23/146037023.db2.gz YNKOMZLCRGSKHQ-ZDUSSCGKSA-N 1 2 349.431 2.931 20 5 EFBDLO C/C=C\C[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351547815 146142950 /nfs/dbraw/zinc/14/29/50/146142950.db2.gz LUSBMLGEWWHTJE-VQTKUKTRSA-N 1 2 328.372 2.521 20 5 EFBDLO C/C=C\C[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351547814 146143111 /nfs/dbraw/zinc/14/31/11/146143111.db2.gz LUSBMLGEWWHTJE-NQHOJNORSA-N 1 2 328.372 2.521 20 5 EFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000351934513 146240556 /nfs/dbraw/zinc/24/05/56/146240556.db2.gz CHBVZVGTGWLGRF-UHFFFAOYSA-N 1 2 340.343 2.805 20 5 EFBDLO COc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])cc1OC ZINC000351957858 146248385 /nfs/dbraw/zinc/24/83/85/146248385.db2.gz IMJGYCRIJSUIEL-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1cc(C[N@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])cc1OC ZINC000351957858 146248388 /nfs/dbraw/zinc/24/83/88/146248388.db2.gz IMJGYCRIJSUIEL-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)nc1OC ZINC000353090214 146394302 /nfs/dbraw/zinc/39/43/02/146394302.db2.gz GJEFRWZBIFCSCE-UHFFFAOYSA-N 1 2 347.371 2.696 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353388894 146467098 /nfs/dbraw/zinc/46/70/98/146467098.db2.gz SMCREPNBDBEHLJ-QGZVFWFLSA-N 1 2 344.415 2.967 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000353411188 146472870 /nfs/dbraw/zinc/47/28/70/146472870.db2.gz XZHNFKYHHIMLNM-INIZCTEOSA-N 1 2 341.346 2.742 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356285960 147200282 /nfs/dbraw/zinc/20/02/82/147200282.db2.gz WBKPVCKVXJKWBY-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO COc1cc(C[NH+]2CC3(CCC3(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000356516738 147265452 /nfs/dbraw/zinc/26/54/52/147265452.db2.gz BCLYIWGWKYMGEM-UHFFFAOYSA-N 1 2 328.315 2.843 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000356987457 147392002 /nfs/dbraw/zinc/39/20/02/147392002.db2.gz QGNVHTVPXHMKDW-UHFFFAOYSA-N 1 2 336.388 2.685 20 5 EFBDLO Cc1cc(N(C)Cc2ccnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359904712 148220011 /nfs/dbraw/zinc/22/00/11/148220011.db2.gz BZEXSLQRYGKRGB-UHFFFAOYSA-N 1 2 338.371 2.730 20 5 EFBDLO CCOc1cc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000360008547 148248639 /nfs/dbraw/zinc/24/86/39/148248639.db2.gz XGTRVDNHWHYAOT-OAHLLOKOSA-N 1 2 345.403 2.600 20 5 EFBDLO CCc1ccc([C@@H]([NH2+]CC(=O)N(C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000360012099 148249317 /nfs/dbraw/zinc/24/93/17/148249317.db2.gz RDVJSMPROYAZPW-SFHVURJKSA-N 1 2 345.399 2.908 20 5 EFBDLO CCc1ccc([C@H]([NH2+]CC(=O)N(C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000360012097 148249669 /nfs/dbraw/zinc/24/96/69/148249669.db2.gz RDVJSMPROYAZPW-GOSISDBHSA-N 1 2 345.399 2.908 20 5 EFBDLO Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000360082149 148266765 /nfs/dbraw/zinc/26/67/65/148266765.db2.gz JVKWQORBUMPODI-UHFFFAOYSA-N 1 2 325.384 2.589 20 5 EFBDLO Cc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000360082149 148266766 /nfs/dbraw/zinc/26/67/66/148266766.db2.gz JVKWQORBUMPODI-UHFFFAOYSA-N 1 2 325.384 2.589 20 5 EFBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000360087916 148268558 /nfs/dbraw/zinc/26/85/58/148268558.db2.gz YSAPIKPTWGTGSP-OAHLLOKOSA-N 1 2 349.337 2.906 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOCC4(CCC4)C3)o2)cc1 ZINC000368119172 150042085 /nfs/dbraw/zinc/04/20/85/150042085.db2.gz RUNANJZULYAPKE-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOCC4(CCC4)C3)o2)cc1 ZINC000368119172 150042087 /nfs/dbraw/zinc/04/20/87/150042087.db2.gz RUNANJZULYAPKE-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292808 150321909 /nfs/dbraw/zinc/32/19/09/150321909.db2.gz HPOMRLLOWKHFPD-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292808 150321912 /nfs/dbraw/zinc/32/19/12/150321912.db2.gz HPOMRLLOWKHFPD-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1cc(N2CC([C@@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373687441 151209684 /nfs/dbraw/zinc/20/96/84/151209684.db2.gz WXQIGRXSRBSNAX-CQSZACIVSA-N 1 2 340.383 2.833 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000374050608 151275571 /nfs/dbraw/zinc/27/55/71/151275571.db2.gz NWAAYAZEACFLBY-OAHLLOKOSA-N 1 2 330.388 2.680 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000374050608 151275574 /nfs/dbraw/zinc/27/55/74/151275574.db2.gz NWAAYAZEACFLBY-OAHLLOKOSA-N 1 2 330.388 2.680 20 5 EFBDLO COc1cc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1O ZINC000374335652 151325968 /nfs/dbraw/zinc/32/59/68/151325968.db2.gz ZUJLWWIUHAYPFF-HNNXBMFYSA-N 1 2 343.383 2.585 20 5 EFBDLO COc1cc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1O ZINC000374335652 151325969 /nfs/dbraw/zinc/32/59/69/151325969.db2.gz ZUJLWWIUHAYPFF-HNNXBMFYSA-N 1 2 343.383 2.585 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374440226 151348434 /nfs/dbraw/zinc/34/84/34/151348434.db2.gz WIXNXZKNQPAXNT-OAHLLOKOSA-N 1 2 342.399 2.726 20 5 EFBDLO O=C(CCn1cc[nH+]c1-c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000374449243 151350558 /nfs/dbraw/zinc/35/05/58/151350558.db2.gz NYVFLTFKISFXFJ-UHFFFAOYSA-N 1 2 337.339 2.882 20 5 EFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378403657 152077079 /nfs/dbraw/zinc/07/70/79/152077079.db2.gz OLTBDZSTJVEAKW-HNNXBMFYSA-N 1 2 343.387 2.874 20 5 EFBDLO CCOc1cccc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000359990573 286573091 /nfs/dbraw/zinc/57/30/91/286573091.db2.gz DCPYWPNHRJGOLW-AWEZNQCLSA-N 1 2 345.403 2.600 20 5 EFBDLO Cc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000123807486 222334980 /nfs/dbraw/zinc/33/49/80/222334980.db2.gz PWMVOSRXKBBDRQ-BLLLJJGKSA-N 1 2 328.372 2.823 20 5 EFBDLO C[N@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123400158 222271876 /nfs/dbraw/zinc/27/18/76/222271876.db2.gz NWPRSCJOJVQRIU-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO C[N@@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123400158 222271879 /nfs/dbraw/zinc/27/18/79/222271879.db2.gz NWPRSCJOJVQRIU-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO COC(C)(C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000154147349 544741754 /nfs/dbraw/zinc/74/17/54/544741754.db2.gz NKVMQYOWURQGDT-UHFFFAOYSA-N 1 2 329.316 2.712 20 5 EFBDLO CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046120865 272976467 /nfs/dbraw/zinc/97/64/67/272976467.db2.gz OUNRNAPGUGETLK-UHFFFAOYSA-N 1 2 345.424 2.987 20 5 EFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH+]1 ZINC000193499826 265334225 /nfs/dbraw/zinc/33/42/25/265334225.db2.gz GFWXTSAYRUQKOB-UHFFFAOYSA-N 1 2 342.359 2.604 20 5 EFBDLO COc1cc(OCC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000195013205 265401645 /nfs/dbraw/zinc/40/16/45/265401645.db2.gz UIMWPMJOVCXRTC-UHFFFAOYSA-N 1 2 345.355 2.941 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000271646268 266031123 /nfs/dbraw/zinc/03/11/23/266031123.db2.gz RAYBJWIFAYMOSL-UHFFFAOYSA-N 1 2 346.387 2.530 20 5 EFBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272497486 266285250 /nfs/dbraw/zinc/28/52/50/266285250.db2.gz GFAVFAMSGZROCE-HZPDHXFCSA-N 1 2 332.404 2.678 20 5 EFBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272497488 266285409 /nfs/dbraw/zinc/28/54/09/266285409.db2.gz GFAVFAMSGZROCE-JKSUJKDBSA-N 1 2 332.404 2.678 20 5 EFBDLO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000272524423 266294116 /nfs/dbraw/zinc/29/41/16/266294116.db2.gz LTULXEHVWQUGLI-LLVKDONJSA-N 1 2 344.375 2.652 20 5 EFBDLO Cc1csc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272533408 266297903 /nfs/dbraw/zinc/29/79/03/266297903.db2.gz NMSMISVWKIECQP-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272545570 266302752 /nfs/dbraw/zinc/30/27/52/266302752.db2.gz PYOGKDICLZZWNQ-HOTGVXAUSA-N 1 2 346.431 2.804 20 5 EFBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272779788 266381417 /nfs/dbraw/zinc/38/14/17/266381417.db2.gz HKYUQIJDDKEKFN-UHFFFAOYSA-N 1 2 339.823 2.985 20 5 EFBDLO CN(Cc1[nH+]ccn1C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273702031 266539383 /nfs/dbraw/zinc/53/93/83/266539383.db2.gz DJNYCQYDWNWNOL-UHFFFAOYSA-N 1 2 326.303 2.562 20 5 EFBDLO CCN(C)C(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276982316 267092234 /nfs/dbraw/zinc/09/22/34/267092234.db2.gz VBQFHKWMTITCOB-LBPRGKRZSA-N 1 2 343.387 2.639 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278231922 267375978 /nfs/dbraw/zinc/37/59/78/267375978.db2.gz YLZNDHHMQITREC-SWLSCSKDSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278231922 267375981 /nfs/dbraw/zinc/37/59/81/267375981.db2.gz YLZNDHHMQITREC-SWLSCSKDSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000157612835 273021057 /nfs/dbraw/zinc/02/10/57/273021057.db2.gz QIOMCFCOOFSNQF-GOSISDBHSA-N 1 2 337.383 2.698 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000157612835 273021058 /nfs/dbraw/zinc/02/10/58/273021058.db2.gz QIOMCFCOOFSNQF-GOSISDBHSA-N 1 2 337.383 2.698 20 5 EFBDLO Cc1c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000178270588 273039267 /nfs/dbraw/zinc/03/92/67/273039267.db2.gz LDFRPDHQSWNLFY-LBPRGKRZSA-N 1 2 331.338 2.972 20 5 EFBDLO Cc1cccc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000188357286 273056315 /nfs/dbraw/zinc/05/63/15/273056315.db2.gz USSIWNVIHNZQPQ-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269435791 273079884 /nfs/dbraw/zinc/07/98/84/273079884.db2.gz QUCDHGCJMUPTJR-UHFFFAOYSA-N 1 2 343.387 2.544 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000269673638 273088389 /nfs/dbraw/zinc/08/83/89/273088389.db2.gz VTKLNKHMABTYPC-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000269673638 273088390 /nfs/dbraw/zinc/08/83/90/273088390.db2.gz VTKLNKHMABTYPC-MSOLQXFVSA-N 1 2 346.358 2.841 20 5 EFBDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000273659735 273117139 /nfs/dbraw/zinc/11/71/39/273117139.db2.gz VVYJDOPSBYPWBH-UHFFFAOYSA-N 1 2 328.376 2.628 20 5 EFBDLO COC(=O)C1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000274954251 273135232 /nfs/dbraw/zinc/13/52/32/273135232.db2.gz FEMQYKXIKASZEQ-UHFFFAOYSA-N 1 2 342.355 2.725 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ncnn1C ZINC000276621899 273138746 /nfs/dbraw/zinc/13/87/46/273138746.db2.gz FFLKZNUYFRAUTJ-LLVKDONJSA-N 1 2 327.344 2.834 20 5 EFBDLO CC(C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000276689640 273140120 /nfs/dbraw/zinc/14/01/20/273140120.db2.gz PWOASXIIWOOLHZ-INIZCTEOSA-N 1 2 341.371 2.855 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C2CC2)O1 ZINC000279384410 273209502 /nfs/dbraw/zinc/20/95/02/273209502.db2.gz TUPOLUQEXLKHFE-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C2CC2)O1 ZINC000279384410 273209504 /nfs/dbraw/zinc/20/95/04/273209504.db2.gz TUPOLUQEXLKHFE-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO CC(C)c1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279438614 273215463 /nfs/dbraw/zinc/21/54/63/273215463.db2.gz ZQVAIXYVWXVGKN-AWEZNQCLSA-N 1 2 349.431 2.511 20 5 EFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000279905555 273267404 /nfs/dbraw/zinc/26/74/04/273267404.db2.gz VJHQZADWGWJHKE-OAHLLOKOSA-N 1 2 336.388 2.708 20 5 EFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000279905555 273267405 /nfs/dbraw/zinc/26/74/05/273267405.db2.gz VJHQZADWGWJHKE-OAHLLOKOSA-N 1 2 336.388 2.708 20 5 EFBDLO CCC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280036015 273283558 /nfs/dbraw/zinc/28/35/58/273283558.db2.gz AHGRXZARKIZCFV-QWHCGFSZSA-N 1 2 335.404 2.709 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280192471 273300803 /nfs/dbraw/zinc/30/08/03/273300803.db2.gz HLSYQQQBIUKCCC-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280192471 273300804 /nfs/dbraw/zinc/30/08/04/273300804.db2.gz HLSYQQQBIUKCCC-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388519 273322837 /nfs/dbraw/zinc/32/28/37/273322837.db2.gz KGCOQJSYIJMCJZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388519 273322838 /nfs/dbraw/zinc/32/28/38/273322838.db2.gz KGCOQJSYIJMCJZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000280522018 273336761 /nfs/dbraw/zinc/33/67/61/273336761.db2.gz RBFAMSSDJTUTSO-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000280522018 273336762 /nfs/dbraw/zinc/33/67/62/273336762.db2.gz RBFAMSSDJTUTSO-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553821 273340331 /nfs/dbraw/zinc/34/03/31/273340331.db2.gz UMHHRZOKTRNQEI-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553821 273340332 /nfs/dbraw/zinc/34/03/32/273340332.db2.gz UMHHRZOKTRNQEI-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO Nc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000283495774 273722632 /nfs/dbraw/zinc/72/26/32/273722632.db2.gz IFQPSCJAFMYLSX-SFHVURJKSA-N 1 2 342.399 2.662 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285471620 274006032 /nfs/dbraw/zinc/00/60/32/274006032.db2.gz KOYFBXJIEZJKNB-GFCCVEGCSA-N 1 2 327.406 2.709 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285471620 274006033 /nfs/dbraw/zinc/00/60/33/274006033.db2.gz KOYFBXJIEZJKNB-GFCCVEGCSA-N 1 2 327.406 2.709 20 5 EFBDLO CC(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285765163 274070263 /nfs/dbraw/zinc/07/02/63/274070263.db2.gz VRRVIDBEBTUNDJ-CYBMUJFWSA-N 1 2 338.389 2.531 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285859432 274089009 /nfs/dbraw/zinc/08/90/09/274089009.db2.gz IMTQAGZSNNPIOD-IUODEOHRSA-N 1 2 339.823 2.543 20 5 EFBDLO Cc1noc([C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285914954 274099522 /nfs/dbraw/zinc/09/95/22/274099522.db2.gz HRLMJYYASLZQCR-JTQLQIEISA-N 1 2 338.314 2.944 20 5 EFBDLO Cc1noc([C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285914954 274099523 /nfs/dbraw/zinc/09/95/23/274099523.db2.gz HRLMJYYASLZQCR-JTQLQIEISA-N 1 2 338.314 2.944 20 5 EFBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285962568 274107747 /nfs/dbraw/zinc/10/77/47/274107747.db2.gz KUFWUBUIEXUANX-UHFFFAOYSA-N 1 2 326.316 2.714 20 5 EFBDLO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286168204 274146343 /nfs/dbraw/zinc/14/63/43/274146343.db2.gz KAMHJRMFZRACEY-UHFFFAOYSA-N 1 2 335.404 2.639 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000286169320 274146726 /nfs/dbraw/zinc/14/67/26/274146726.db2.gz YNJSFMXZXLSEMO-UHFFFAOYSA-N 1 2 337.326 2.784 20 5 EFBDLO CC(C)Oc1cc[nH+]cc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286902216 274296915 /nfs/dbraw/zinc/29/69/15/274296915.db2.gz JRGYJWXUPLETPV-UHFFFAOYSA-N 1 2 346.339 2.899 20 5 EFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286954195 274308507 /nfs/dbraw/zinc/30/85/07/274308507.db2.gz RSTNERAEKABCDW-LLVKDONJSA-N 1 2 333.417 2.517 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352896240 274387366 /nfs/dbraw/zinc/38/73/66/274387366.db2.gz ZTJXMWPYHUZUAB-CHWSQXEVSA-N 1 2 339.823 2.543 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH+]c2ccc(F)cc2n1C ZINC000288986923 274689239 /nfs/dbraw/zinc/68/92/39/274689239.db2.gz VNMGJVJVJMTKLJ-UHFFFAOYSA-N 1 2 346.366 2.800 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000411927565 275038764 /nfs/dbraw/zinc/03/87/64/275038764.db2.gz SMMBPLHVRLDEBO-PBHICJAKSA-N 1 2 338.367 2.779 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000411927565 275038765 /nfs/dbraw/zinc/03/87/65/275038765.db2.gz SMMBPLHVRLDEBO-PBHICJAKSA-N 1 2 338.367 2.779 20 5 EFBDLO CC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162456260 275899965 /nfs/dbraw/zinc/89/99/65/275899965.db2.gz GAZQJKXUZKUEQL-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO CC[C@@H](CO)[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429200085 276426263 /nfs/dbraw/zinc/42/62/63/276426263.db2.gz BBKSYZXTLKOSFB-NSHDSACASA-N 1 2 348.230 2.795 20 5 EFBDLO CN1CCC2(CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC000413271582 277038798 /nfs/dbraw/zinc/03/87/98/277038798.db2.gz WIDLLCNEYNYXFC-UHFFFAOYSA-N 1 2 340.383 2.592 20 5 EFBDLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000416114967 278079980 /nfs/dbraw/zinc/07/99/80/278079980.db2.gz MNEZETZXVBIZHO-FRRDWIJNSA-N 1 2 328.372 2.897 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349339 278301359 /nfs/dbraw/zinc/30/13/59/278301359.db2.gz URZFQXMKPVLEJQ-LBPRGKRZSA-N 1 2 341.346 2.915 20 5 EFBDLO Cc1cc(N[C@@H](C)CC[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268817288 278733699 /nfs/dbraw/zinc/73/36/99/278733699.db2.gz OCNDABQROYZNTA-APXPCNQMSA-N 1 2 348.428 2.929 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266993015 279248944 /nfs/dbraw/zinc/24/89/44/279248944.db2.gz VSGCEXZDEBZCHU-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO Cn1cnc2cc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000356520525 279389430 /nfs/dbraw/zinc/38/94/30/279389430.db2.gz GOVOIITXHVGYAU-UHFFFAOYSA-N 1 2 338.367 2.876 20 5 EFBDLO Cn1cnc2cc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000356520525 279389434 /nfs/dbraw/zinc/38/94/34/279389434.db2.gz GOVOIITXHVGYAU-UHFFFAOYSA-N 1 2 338.367 2.876 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2[nH+]ccn21 ZINC000456406862 279963037 /nfs/dbraw/zinc/96/30/37/279963037.db2.gz YKCGGSZUHJHROS-GXSJLCMTSA-N 1 2 325.328 2.708 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000177020648 280178271 /nfs/dbraw/zinc/17/82/71/280178271.db2.gz JEAOWORUXCUGQK-KBPBESRZSA-N 1 2 326.356 2.653 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369352602 280327339 /nfs/dbraw/zinc/32/73/39/280327339.db2.gz KDTKOMLDPDDHKY-AWEZNQCLSA-N 1 2 328.372 2.657 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CO ZINC000162449847 280355644 /nfs/dbraw/zinc/35/56/44/280355644.db2.gz LDHGRQHUOUFSCX-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000162449847 280355645 /nfs/dbraw/zinc/35/56/45/280355645.db2.gz LDHGRQHUOUFSCX-GFCCVEGCSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060378001 280360481 /nfs/dbraw/zinc/36/04/81/280360481.db2.gz RCQURRSBEHBQOQ-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO O=C1CCCN1C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118977249 292896348 /nfs/dbraw/zinc/89/63/48/292896348.db2.gz GWCCQVSIPBBEMU-UHFFFAOYSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000128385212 293101107 /nfs/dbraw/zinc/10/11/07/293101107.db2.gz SFUPUMRXUDTWEH-UHFFFAOYSA-N 1 2 343.387 2.556 20 5 EFBDLO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000130296197 293160497 /nfs/dbraw/zinc/16/04/97/293160497.db2.gz QDLFESGVPJHWMD-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO C[C@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131353708 293194159 /nfs/dbraw/zinc/19/41/59/293194159.db2.gz RXLSSMWGVJJAGN-AWEZNQCLSA-N 1 2 339.395 2.830 20 5 EFBDLO C[C@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131353708 293194161 /nfs/dbraw/zinc/19/41/61/293194161.db2.gz RXLSSMWGVJJAGN-AWEZNQCLSA-N 1 2 339.395 2.830 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000131529406 293199494 /nfs/dbraw/zinc/19/94/94/293199494.db2.gz PJOIYHLPTLCKJP-VMPITWQZSA-N 1 2 328.372 2.777 20 5 EFBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000106876717 293243729 /nfs/dbraw/zinc/24/37/29/293243729.db2.gz QOHHBTRMZQBAHP-SNVBAGLBSA-N 1 2 348.428 2.960 20 5 EFBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000106876717 293243730 /nfs/dbraw/zinc/24/37/30/293243730.db2.gz QOHHBTRMZQBAHP-SNVBAGLBSA-N 1 2 348.428 2.960 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152638162 293343149 /nfs/dbraw/zinc/34/31/49/293343149.db2.gz DMHQFIKGQWRVTF-UHFFFAOYSA-N 1 2 341.776 2.858 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000153550592 293381383 /nfs/dbraw/zinc/38/13/83/293381383.db2.gz GAEXOWHQFNIJAH-UHFFFAOYSA-N 1 2 335.751 2.618 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H](C)Cn1cc[nH+]c1 ZINC000290460467 294093157 /nfs/dbraw/zinc/09/31/57/294093157.db2.gz FFAWFQAQWMADSB-SNVBAGLBSA-N 1 2 336.323 2.608 20 5 EFBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c(Br)cc1[N+](=O)[O-] ZINC000290693466 294158939 /nfs/dbraw/zinc/15/89/39/294158939.db2.gz MSBYGISVSNJJSU-UHFFFAOYSA-N 1 2 337.177 2.882 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CCn4c[nH+]cc4C3)cs2)c1 ZINC000291598998 294426486 /nfs/dbraw/zinc/42/64/86/294426486.db2.gz QHZFGWHRWRPDIA-UHFFFAOYSA-N 1 2 341.396 2.931 20 5 EFBDLO COc1c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000452840430 294884934 /nfs/dbraw/zinc/88/49/34/294884934.db2.gz GCAUWJOHBNCKIG-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911286 295077409 /nfs/dbraw/zinc/07/74/09/295077409.db2.gz FYYCBSJXUDKTMB-ROUUACIJSA-N 1 2 348.399 2.755 20 5 EFBDLO COc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911286 295077412 /nfs/dbraw/zinc/07/74/12/295077412.db2.gz FYYCBSJXUDKTMB-ROUUACIJSA-N 1 2 348.399 2.755 20 5 EFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000293997857 295095931 /nfs/dbraw/zinc/09/59/31/295095931.db2.gz MCDYPSACHCDNGV-UHFFFAOYSA-N 1 2 343.383 2.708 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000294359772 295153437 /nfs/dbraw/zinc/15/34/37/295153437.db2.gz IOJKPNHMVNSMHL-OAHLLOKOSA-N 1 2 348.378 2.600 20 5 EFBDLO C[C@@H](c1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000294661105 295202517 /nfs/dbraw/zinc/20/25/17/295202517.db2.gz RZWZALRZMXVJBZ-AWEZNQCLSA-N 1 2 349.431 2.854 20 5 EFBDLO CCn1cc[nH+]c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000295064781 295263805 /nfs/dbraw/zinc/26/38/05/295263805.db2.gz VTIDZRAXUNBGTJ-UHFFFAOYSA-N 1 2 326.154 2.581 20 5 EFBDLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295397060 295313094 /nfs/dbraw/zinc/31/30/94/295313094.db2.gz RCDNMYUBKWQNGV-NSHDSACASA-N 1 2 341.358 2.749 20 5 EFBDLO CCC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000295436303 295320098 /nfs/dbraw/zinc/32/00/98/295320098.db2.gz VFRCPOHKKFIOQF-JTQLQIEISA-N 1 2 343.221 2.876 20 5 EFBDLO CCC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000295436303 295320099 /nfs/dbraw/zinc/32/00/99/295320099.db2.gz VFRCPOHKKFIOQF-JTQLQIEISA-N 1 2 343.221 2.876 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000295538385 295337458 /nfs/dbraw/zinc/33/74/58/295337458.db2.gz CKTLMPYCDWNCHE-UHFFFAOYSA-N 1 2 334.351 2.544 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000295879147 295390528 /nfs/dbraw/zinc/39/05/28/295390528.db2.gz BDCBUKCFWCIRBG-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO CC(C)(CCC(=O)NCCNc1ccc2ccccc2[nH+]1)[N+](=O)[O-] ZINC000295893822 295392569 /nfs/dbraw/zinc/39/25/69/295392569.db2.gz QDCSACGUNKMLQO-UHFFFAOYSA-N 1 2 330.388 2.598 20 5 EFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295927997 295398047 /nfs/dbraw/zinc/39/80/47/295398047.db2.gz SEPWEJOMLXKZEU-UHFFFAOYSA-N 1 2 349.431 2.601 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296375050 295466485 /nfs/dbraw/zinc/46/64/85/295466485.db2.gz RQLHZZQCKLRILJ-ZDUSSCGKSA-N 1 2 329.360 2.943 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2N1 ZINC000152230533 304636475 /nfs/dbraw/zinc/63/64/75/304636475.db2.gz WRLCEAHNLIANIH-ZDUSSCGKSA-N 1 2 341.371 2.934 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370565499 304812242 /nfs/dbraw/zinc/81/22/42/304812242.db2.gz KVYLTANPKFLAEO-KBPBESRZSA-N 1 2 340.811 2.699 20 5 EFBDLO O=C(Nc1ccncc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179091268 310781864 /nfs/dbraw/zinc/78/18/64/310781864.db2.gz YFLOMWWAJGHKNI-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO CCn1nc(C)c(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000297479479 310899972 /nfs/dbraw/zinc/89/99/72/310899972.db2.gz UCOCOFLXPVOFSS-UHFFFAOYSA-N 1 2 330.388 2.691 20 5 EFBDLO CN(C)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000298741571 311019345 /nfs/dbraw/zinc/01/93/45/311019345.db2.gz SKPBPVVTGFOSGZ-UHFFFAOYSA-N 1 2 341.371 2.553 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000298884269 311031626 /nfs/dbraw/zinc/03/16/26/311031626.db2.gz QEETVYCMCAXONF-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO CCc1cc(NCCCC(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299071568 311047650 /nfs/dbraw/zinc/04/76/50/311047650.db2.gz OXTFGKURAMCZLC-UHFFFAOYSA-N 1 2 343.387 2.552 20 5 EFBDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299357380 311076166 /nfs/dbraw/zinc/07/61/66/311076166.db2.gz UBBMXSMDHJNUOX-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO COC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299388954 311079933 /nfs/dbraw/zinc/07/99/33/311079933.db2.gz CXXVKVHTDPOVQP-UHFFFAOYSA-N 1 2 328.372 2.975 20 5 EFBDLO Cc1cc(N2C[C@@H](C)OC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393526 311080313 /nfs/dbraw/zinc/08/03/13/311080313.db2.gz PGRYWQPJLRZALA-QWHCGFSZSA-N 1 2 328.372 2.974 20 5 EFBDLO Cc1cc(N2C[C@H](C)OC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393523 311080345 /nfs/dbraw/zinc/08/03/45/311080345.db2.gz PGRYWQPJLRZALA-OLZOCXBDSA-N 1 2 328.372 2.974 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000299458840 311087002 /nfs/dbraw/zinc/08/70/02/311087002.db2.gz BGHBSXXHCBFKED-UHFFFAOYSA-N 1 2 342.355 2.851 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000299476760 311088728 /nfs/dbraw/zinc/08/87/28/311088728.db2.gz BTPYRRRHNYHLLJ-UHFFFAOYSA-N 1 2 339.355 2.750 20 5 EFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000299515147 311092359 /nfs/dbraw/zinc/09/23/59/311092359.db2.gz JRQRCBSXLZDFPJ-UHFFFAOYSA-N 1 2 340.343 2.574 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000299653340 311107409 /nfs/dbraw/zinc/10/74/09/311107409.db2.gz SXZDWRNGAFKZBS-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cn4ccccc4[nH+]3)cc2N1 ZINC000301102380 311118888 /nfs/dbraw/zinc/11/88/88/311118888.db2.gz PICRSEDKWYEDBM-UHFFFAOYSA-N 1 2 337.339 2.739 20 5 EFBDLO CCc1cc(NCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301108415 311119421 /nfs/dbraw/zinc/11/94/21/311119421.db2.gz UYNWRLSMLMUAGK-UHFFFAOYSA-N 1 2 338.371 2.923 20 5 EFBDLO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000301618799 311147962 /nfs/dbraw/zinc/14/79/62/311147962.db2.gz DEVLLTJQRFAVGO-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000301618799 311147963 /nfs/dbraw/zinc/14/79/63/311147963.db2.gz DEVLLTJQRFAVGO-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO COc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000301626915 311148528 /nfs/dbraw/zinc/14/85/28/311148528.db2.gz GYNWTMZKUSQKBZ-GFCCVEGCSA-N 1 2 333.319 2.795 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000301730703 311155470 /nfs/dbraw/zinc/15/54/70/311155470.db2.gz DEDHVOIGZHDUCA-UHFFFAOYSA-N 1 2 334.445 2.907 20 5 EFBDLO Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C(C)C)[nH+]1 ZINC000301767860 311157379 /nfs/dbraw/zinc/15/73/79/311157379.db2.gz CBTOCFIMUITIEN-CYBMUJFWSA-N 1 2 342.403 2.902 20 5 EFBDLO Cc1cc(NCCC2(C)OCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302171347 311182288 /nfs/dbraw/zinc/18/22/88/311182288.db2.gz UTIVBSYJHHRBLF-UHFFFAOYSA-N 1 2 344.371 2.925 20 5 EFBDLO Cc1cc(NCC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302197055 311183943 /nfs/dbraw/zinc/18/39/43/311183943.db2.gz XUOOUXMQKODKBM-UHFFFAOYSA-N 1 2 328.372 2.935 20 5 EFBDLO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302391936 311189133 /nfs/dbraw/zinc/18/91/33/311189133.db2.gz IKFQRDSBFRKCTC-IAQYHMDHSA-N 1 2 328.372 2.567 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000302613265 311194353 /nfs/dbraw/zinc/19/43/53/311194353.db2.gz BEGPBLGVZBTFLE-CQSZACIVSA-N 1 2 338.314 2.546 20 5 EFBDLO Cc1c(Br)c(NCc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC000308377793 311227774 /nfs/dbraw/zinc/22/77/74/311227774.db2.gz PJQFUWJIAUXERV-UHFFFAOYSA-N 1 2 338.165 2.650 20 5 EFBDLO C[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332258430 311479078 /nfs/dbraw/zinc/47/90/78/311479078.db2.gz BNIRRRBOQQNXMS-NSHDSACASA-N 1 2 346.362 2.967 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)N2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000332597541 311523301 /nfs/dbraw/zinc/52/33/01/311523301.db2.gz HDHSNAKTDQHKFB-UHFFFAOYSA-N 1 2 328.372 2.745 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420700569 312385325 /nfs/dbraw/zinc/38/53/25/312385325.db2.gz PLPYWWJPTHAFRA-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO Cc1cc(N[C@@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450786958 312747186 /nfs/dbraw/zinc/74/71/86/312747186.db2.gz AZUQMMMDMLFPTA-OAHLLOKOSA-N 1 2 340.383 2.763 20 5 EFBDLO Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000450937614 312779215 /nfs/dbraw/zinc/77/92/15/312779215.db2.gz IPDUQHKSFOWGNG-UHFFFAOYSA-N 1 2 345.399 2.835 20 5 EFBDLO COC(=O)c1csc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000451058321 312807809 /nfs/dbraw/zinc/80/78/09/312807809.db2.gz VFCNEXDFMXGTKV-UHFFFAOYSA-N 1 2 335.385 2.863 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000453573081 312910520 /nfs/dbraw/zinc/91/05/20/312910520.db2.gz GIDYYJASQGAXLB-NSCUHMNNSA-N 1 2 342.374 2.964 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000472327519 313185772 /nfs/dbraw/zinc/18/57/72/313185772.db2.gz MYPQVCMYOJVKPV-ZIAGYGMSSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000472327519 313185774 /nfs/dbraw/zinc/18/57/74/313185774.db2.gz MYPQVCMYOJVKPV-ZIAGYGMSSA-N 1 2 337.395 2.955 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCn2cc[nH+]c21 ZINC000492183347 313903826 /nfs/dbraw/zinc/90/38/26/313903826.db2.gz FRXNCMIIVWOIIJ-DIECRNLCSA-N 1 2 344.346 2.637 20 5 EFBDLO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492897039 314168928 /nfs/dbraw/zinc/16/89/28/314168928.db2.gz WFEWNRXCSMGYJJ-GFCCVEGCSA-N 1 2 337.420 2.729 20 5 EFBDLO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492897039 314168931 /nfs/dbraw/zinc/16/89/31/314168931.db2.gz WFEWNRXCSMGYJJ-GFCCVEGCSA-N 1 2 337.420 2.729 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492916303 314175730 /nfs/dbraw/zinc/17/57/30/314175730.db2.gz AONWWPFARFVXGG-WHWKNOJMSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492927388 314180933 /nfs/dbraw/zinc/18/09/33/314180933.db2.gz WIJPTZJDIMHNEI-XBXARRHUSA-N 1 2 349.350 2.887 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927951 314181319 /nfs/dbraw/zinc/18/13/19/314181319.db2.gz SGGXLYNMFMZHDA-WRLNGNIRSA-N 1 2 344.346 2.748 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493224114 314283073 /nfs/dbraw/zinc/28/30/73/314283073.db2.gz SCICMWGBPFHXTR-GPAKFWEMSA-N 1 2 326.356 2.737 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493345919 314323026 /nfs/dbraw/zinc/32/30/26/314323026.db2.gz ALTYIUQQDKYMFW-OKPNEXGHSA-N 1 2 332.335 2.841 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000493554566 314398670 /nfs/dbraw/zinc/39/86/70/314398670.db2.gz MHEPSCDXRKAAMW-BQYQJAHWSA-N 1 2 326.356 2.804 20 5 EFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000496308464 315021773 /nfs/dbraw/zinc/02/17/73/315021773.db2.gz OVDOJJATPPJGAB-CYBMUJFWSA-N 1 2 339.417 2.899 20 5 EFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000496308464 315021775 /nfs/dbraw/zinc/02/17/75/315021775.db2.gz OVDOJJATPPJGAB-CYBMUJFWSA-N 1 2 339.417 2.899 20 5 EFBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000497132200 315321042 /nfs/dbraw/zinc/32/10/42/315321042.db2.gz QODPDSCIXRUYSR-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000497132200 315321044 /nfs/dbraw/zinc/32/10/44/315321044.db2.gz QODPDSCIXRUYSR-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO CCc1cc(NC[C@@]2(C)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000498942093 315408217 /nfs/dbraw/zinc/40/82/17/315408217.db2.gz ULLOWHMVIWECSX-GOSISDBHSA-N 1 2 342.399 2.875 20 5 EFBDLO CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000516979617 315726765 /nfs/dbraw/zinc/72/67/65/315726765.db2.gz OVKXFDNDQKJXEB-HNNXBMFYSA-N 1 2 348.790 2.909 20 5 EFBDLO Cc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000518798690 315830271 /nfs/dbraw/zinc/83/02/71/315830271.db2.gz OYBATZNMYZQNAY-UHFFFAOYSA-N 1 2 328.372 2.735 20 5 EFBDLO Cc1cc(N2CCC(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000521627654 316035643 /nfs/dbraw/zinc/03/56/43/316035643.db2.gz KDAAXEAMZZHBSG-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945363 316181948 /nfs/dbraw/zinc/18/19/48/316181948.db2.gz CZWOFEKRPNRKRH-WMLDXEAASA-N 1 2 342.399 2.691 20 5 EFBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945363 316181950 /nfs/dbraw/zinc/18/19/50/316181950.db2.gz CZWOFEKRPNRKRH-WMLDXEAASA-N 1 2 342.399 2.691 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)cn1 ZINC000531248422 317241089 /nfs/dbraw/zinc/24/10/89/317241089.db2.gz AUYKQLFGGUNTHK-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000531714094 317303634 /nfs/dbraw/zinc/30/36/34/317303634.db2.gz BBBMYOUKTXCWOA-MRVPVSSYSA-N 1 2 325.166 2.931 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000532633248 317424080 /nfs/dbraw/zinc/42/40/80/317424080.db2.gz AWDVZQFZLWZDBO-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000533070444 317468354 /nfs/dbraw/zinc/46/83/54/317468354.db2.gz QHNQTTBZCCDICX-HUUCEWRRSA-N 1 2 341.358 2.928 20 5 EFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000547323703 317996442 /nfs/dbraw/zinc/99/64/42/317996442.db2.gz UZWOCVPSGYIHNE-LBPRGKRZSA-N 1 2 348.428 2.514 20 5 EFBDLO Cn1nccc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000548180189 318081922 /nfs/dbraw/zinc/08/19/22/318081922.db2.gz LHWRRYCOBKLWDQ-UHFFFAOYSA-N 1 2 340.387 2.584 20 5 EFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623521 318125054 /nfs/dbraw/zinc/12/50/54/318125054.db2.gz IMLLEWXFMKQHGP-GFCCVEGCSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623521 318125056 /nfs/dbraw/zinc/12/50/56/318125056.db2.gz IMLLEWXFMKQHGP-GFCCVEGCSA-N 1 2 337.807 2.835 20 5 EFBDLO Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000549191460 318168526 /nfs/dbraw/zinc/16/85/26/318168526.db2.gz WYTQQJYTOBZKRC-NSHDSACASA-N 1 2 344.375 2.652 20 5 EFBDLO Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000549191458 318168610 /nfs/dbraw/zinc/16/86/10/318168610.db2.gz WYTQQJYTOBZKRC-LLVKDONJSA-N 1 2 344.375 2.652 20 5 EFBDLO Cc1cnc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000552046111 318240143 /nfs/dbraw/zinc/24/01/43/318240143.db2.gz YNQUOZHABDFOEY-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO CCc1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000556868651 318416687 /nfs/dbraw/zinc/41/66/87/318416687.db2.gz VGXPSXLZQZDHHV-INIZCTEOSA-N 1 2 341.371 2.758 20 5 EFBDLO C[C@H]1CC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000566777219 319109017 /nfs/dbraw/zinc/10/90/17/319109017.db2.gz ADZIQPSKLDMIKP-KBPBESRZSA-N 1 2 349.431 2.795 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000567810906 319213428 /nfs/dbraw/zinc/21/34/28/319213428.db2.gz 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ZINC000161166262 473212994 /nfs/dbraw/zinc/21/29/94/473212994.db2.gz VNQWKXAUBRERLQ-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161166262 473212999 /nfs/dbraw/zinc/21/29/99/473212999.db2.gz VNQWKXAUBRERLQ-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081520930 473213397 /nfs/dbraw/zinc/21/33/97/473213397.db2.gz MQFHXKRTFOMMPZ-LLVKDONJSA-N 1 2 341.795 2.545 20 5 EFBDLO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081520930 473213401 /nfs/dbraw/zinc/21/34/01/473213401.db2.gz MQFHXKRTFOMMPZ-LLVKDONJSA-N 1 2 341.795 2.545 20 5 EFBDLO COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000138465488 473219383 /nfs/dbraw/zinc/21/93/83/473219383.db2.gz FXWRVJFYBHQDDC-MRXNPFEDSA-N 1 2 339.355 2.933 20 5 EFBDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000081576818 473224496 /nfs/dbraw/zinc/22/44/96/473224496.db2.gz 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Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000072577878 472681445 /nfs/dbraw/zinc/68/14/45/472681445.db2.gz AYENVMMJRWOJSE-OAHLLOKOSA-N 1 2 344.371 2.975 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000156387845 472701690 /nfs/dbraw/zinc/70/16/90/472701690.db2.gz DFOUBQCHCQHIFL-UHFFFAOYSA-N 1 2 340.343 2.708 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072716902 472706285 /nfs/dbraw/zinc/70/62/85/472706285.db2.gz CEWOJFONBQERAK-AWEZNQCLSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000072716902 472706288 /nfs/dbraw/zinc/70/62/88/472706288.db2.gz CEWOJFONBQERAK-AWEZNQCLSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072716682 472706812 /nfs/dbraw/zinc/70/68/12/472706812.db2.gz WECOFHVDDVXJCZ-AWEZNQCLSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000072716682 472706818 /nfs/dbraw/zinc/70/68/18/472706818.db2.gz WECOFHVDDVXJCZ-AWEZNQCLSA-N 1 2 347.415 2.957 20 5 EFBDLO Cc1cc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000120587257 472714008 /nfs/dbraw/zinc/71/40/08/472714008.db2.gz NAMPTBGIPPFEAN-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120730573 472736852 /nfs/dbraw/zinc/73/68/52/472736852.db2.gz ZPGRZHFXWAYURB-HNNXBMFYSA-N 1 2 343.387 2.874 20 5 EFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000133038579 472770438 /nfs/dbraw/zinc/77/04/38/472770438.db2.gz DETVGDZCVGNKEQ-UHFFFAOYSA-N 1 2 326.303 2.919 20 5 EFBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccco1 ZINC000063496359 472782286 /nfs/dbraw/zinc/78/22/86/472782286.db2.gz AZENTVWXCIGPBF-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccco1 ZINC000063496359 472782293 /nfs/dbraw/zinc/78/22/93/472782293.db2.gz AZENTVWXCIGPBF-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO CCc1nn(C)c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1[N+](=O)[O-] ZINC000091732883 472799570 /nfs/dbraw/zinc/79/95/70/472799570.db2.gz DMJSYBQFQXLZBJ-UHFFFAOYSA-N 1 2 332.339 2.561 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000073368518 472802416 /nfs/dbraw/zinc/80/24/16/472802416.db2.gz JGOUKVWGGUAQKP-UHFFFAOYSA-N 1 2 332.429 2.678 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000133836640 472846652 /nfs/dbraw/zinc/84/66/52/472846652.db2.gz XNCANZKFRALUNY-UHFFFAOYSA-N 1 2 345.786 2.905 20 5 EFBDLO NC(=O)c1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000133836640 472846659 /nfs/dbraw/zinc/84/66/59/472846659.db2.gz XNCANZKFRALUNY-UHFFFAOYSA-N 1 2 345.786 2.905 20 5 EFBDLO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157695243 472847529 /nfs/dbraw/zinc/84/75/29/472847529.db2.gz AVUBNVGVHXQMTH-UHFFFAOYSA-N 1 2 343.383 2.504 20 5 EFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106542554 472863151 /nfs/dbraw/zinc/86/31/51/472863151.db2.gz HWEUQWLNHLBGIX-OAHLLOKOSA-N 1 2 343.387 2.797 20 5 EFBDLO CCc1[nH]nc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000092118487 472863420 /nfs/dbraw/zinc/86/34/20/472863420.db2.gz VATXUJHICSNUEC-UHFFFAOYSA-N 1 2 340.343 2.533 20 5 EFBDLO CC(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000157854878 472866063 /nfs/dbraw/zinc/86/60/63/472866063.db2.gz RPEFAKJNXGPEGY-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO CCOC(=O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121561719 472872769 /nfs/dbraw/zinc/87/27/69/472872769.db2.gz LZLGFIBHIYBIKZ-UHFFFAOYSA-N 1 2 347.371 2.724 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2cccc(F)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000157938650 472875316 /nfs/dbraw/zinc/87/53/16/472875316.db2.gz ASTFYDIJEHZKKS-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2cccc(F)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000157938650 472875317 /nfs/dbraw/zinc/87/53/17/472875317.db2.gz ASTFYDIJEHZKKS-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000134343505 472896937 /nfs/dbraw/zinc/89/69/37/472896937.db2.gz PCULGQAYVABGLO-UHFFFAOYSA-N 1 2 346.362 2.789 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106874097 472903883 /nfs/dbraw/zinc/90/38/83/472903883.db2.gz CDMCEHDXMCGDRU-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000065544979 472972818 /nfs/dbraw/zinc/97/28/18/472972818.db2.gz JGNLNBHQECMYOL-UHFFFAOYSA-N 1 2 336.417 2.579 20 5 EFBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730251 472973717 /nfs/dbraw/zinc/97/37/17/472973717.db2.gz MBDPUCXDLQSCEG-ZIAGYGMSSA-N 1 2 349.431 2.817 20 5 EFBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730251 472973722 /nfs/dbraw/zinc/97/37/22/472973722.db2.gz MBDPUCXDLQSCEG-ZIAGYGMSSA-N 1 2 349.431 2.817 20 5 EFBDLO CCc1nn(C)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000092829926 472995560 /nfs/dbraw/zinc/99/55/60/472995560.db2.gz BNHJLFNWSAXVRN-UHFFFAOYSA-N 1 2 326.360 2.689 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000159427202 473027780 /nfs/dbraw/zinc/02/77/80/473027780.db2.gz HUAPDVRFGRLPLA-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000159427202 473027784 /nfs/dbraw/zinc/02/77/84/473027784.db2.gz HUAPDVRFGRLPLA-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO CC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000159435077 473028597 /nfs/dbraw/zinc/02/85/97/473028597.db2.gz GJKJJNZMGCDOSE-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051292535 473038186 /nfs/dbraw/zinc/03/81/86/473038186.db2.gz LPEUFJQGYNWFEC-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000080552652 473046833 /nfs/dbraw/zinc/04/68/33/473046833.db2.gz AUIUECXZDKJSBG-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122696083 473047078 /nfs/dbraw/zinc/04/70/78/473047078.db2.gz FVQHGANZGSJFNY-UHFFFAOYSA-N 1 2 326.312 2.661 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135377433 473065576 /nfs/dbraw/zinc/06/55/76/473065576.db2.gz JMHCNUUETONKQJ-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135377433 473065581 /nfs/dbraw/zinc/06/55/81/473065581.db2.gz JMHCNUUETONKQJ-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000051799485 473067341 /nfs/dbraw/zinc/06/73/41/473067341.db2.gz KDCZETKDMRKBFJ-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160122197 473090230 /nfs/dbraw/zinc/09/02/30/473090230.db2.gz IPLZZIDOLGWRBC-UHFFFAOYSA-N 1 2 329.238 2.658 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245294 473096932 /nfs/dbraw/zinc/09/69/32/473096932.db2.gz JOXMNTMQEWDJFM-CYBMUJFWSA-N 1 2 328.372 2.827 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC000080916720 473099727 /nfs/dbraw/zinc/09/97/27/473099727.db2.gz FVRRSELESOTDIE-GFCCVEGCSA-N 1 2 329.356 2.759 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC000080916720 473099733 /nfs/dbraw/zinc/09/97/33/473099733.db2.gz FVRRSELESOTDIE-GFCCVEGCSA-N 1 2 329.356 2.759 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093637891 473125655 /nfs/dbraw/zinc/12/56/55/473125655.db2.gz QZLDKGQMHAQHCN-IBGZPJMESA-N 1 2 340.379 2.974 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093637891 473125659 /nfs/dbraw/zinc/12/56/59/473125659.db2.gz QZLDKGQMHAQHCN-IBGZPJMESA-N 1 2 340.379 2.974 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)on1 ZINC000052723493 473141937 /nfs/dbraw/zinc/14/19/37/473141937.db2.gz QZCNOBUAEGEQDL-UHFFFAOYSA-N 1 2 336.779 2.867 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCNc1cccc[nH+]1 ZINC000110491034 473161670 /nfs/dbraw/zinc/16/16/70/473161670.db2.gz KQDJNRYAGAORJM-UHFFFAOYSA-N 1 2 343.387 2.654 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000066868876 473167034 /nfs/dbraw/zinc/16/70/34/473167034.db2.gz DTQJQZUXKMAIOA-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]2O ZINC000053144466 473187215 /nfs/dbraw/zinc/18/72/15/473187215.db2.gz YGQJKNHPMHJYSQ-OAHLLOKOSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]2O ZINC000053144466 473187221 /nfs/dbraw/zinc/18/72/21/473187221.db2.gz YGQJKNHPMHJYSQ-OAHLLOKOSA-N 1 2 344.367 2.661 20 5 EFBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161043921 473202058 /nfs/dbraw/zinc/20/20/58/473202058.db2.gz YZYSYJHVFWONFH-CYBMUJFWSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161043921 473202063 /nfs/dbraw/zinc/20/20/63/473202063.db2.gz YZYSYJHVFWONFH-CYBMUJFWSA-N 1 2 328.372 2.839 20 5 EFBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)o1 ZINC000177565687 473400333 /nfs/dbraw/zinc/40/03/33/473400333.db2.gz ARYGRNRQIAPZIA-OAHLLOKOSA-N 1 2 348.355 2.840 20 5 EFBDLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000162973169 473401968 /nfs/dbraw/zinc/40/19/68/473401968.db2.gz CRLMIAXAJKDSNO-CQSZACIVSA-N 1 2 340.383 2.509 20 5 EFBDLO CCC(=O)N1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163408589 473442415 /nfs/dbraw/zinc/44/24/15/473442415.db2.gz KTUDWNJCLLHTGJ-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO CCC(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163408589 473442420 /nfs/dbraw/zinc/44/24/20/473442420.db2.gz KTUDWNJCLLHTGJ-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000125833325 473462853 /nfs/dbraw/zinc/46/28/53/473462853.db2.gz IXYJMFSDQNRGHT-UHFFFAOYSA-N 1 2 341.367 2.775 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000178387707 473503513 /nfs/dbraw/zinc/50/35/13/473503513.db2.gz YYJPBEVLPOBDDP-UHFFFAOYSA-N 1 2 330.731 2.826 20 5 EFBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020013 473503626 /nfs/dbraw/zinc/50/36/26/473503626.db2.gz HJVOASJMTGAWJY-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020013 473503629 /nfs/dbraw/zinc/50/36/29/473503629.db2.gz HJVOASJMTGAWJY-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO Cc1c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000127387324 473607291 /nfs/dbraw/zinc/60/72/91/473607291.db2.gz UCEMZKCSBCJFDO-CQSZACIVSA-N 1 2 342.355 2.983 20 5 EFBDLO CC1CCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153268760 473615728 /nfs/dbraw/zinc/61/57/28/473615728.db2.gz GUGHHVQPUNMBSP-UHFFFAOYSA-N 1 2 331.416 2.818 20 5 EFBDLO CC1CCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153268760 473615731 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NC(=O)c1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])c1 ZINC000192244338 473655956 /nfs/dbraw/zinc/65/59/56/473655956.db2.gz MDIBAWYXRZFJID-UHFFFAOYSA-N 1 2 345.786 2.905 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH+]c2ccc(F)cc2n1C ZINC000192609825 473696388 /nfs/dbraw/zinc/69/63/88/473696388.db2.gz WEQFJBDTHGLEST-UHFFFAOYSA-N 1 2 346.366 2.800 20 5 EFBDLO CCC(CC)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000172916165 473704614 /nfs/dbraw/zinc/70/46/14/473704614.db2.gz XNGVAZABWQMLFU-INIZCTEOSA-N 1 2 335.404 2.670 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179802802 473731323 /nfs/dbraw/zinc/73/13/23/473731323.db2.gz WXJPMFPYUGVRLB-MRXNPFEDSA-N 1 2 332.356 2.702 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179802802 473731331 /nfs/dbraw/zinc/73/13/31/473731331.db2.gz WXJPMFPYUGVRLB-MRXNPFEDSA-N 1 2 332.356 2.702 20 5 EFBDLO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(F)cn1 ZINC000287735552 473747977 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O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246596058 473912818 /nfs/dbraw/zinc/91/28/18/473912818.db2.gz CXYOTMQIPADRMJ-TZMCWYRMSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246596058 473912820 /nfs/dbraw/zinc/91/28/20/473912820.db2.gz CXYOTMQIPADRMJ-TZMCWYRMSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cs1 ZINC000288551958 473979157 /nfs/dbraw/zinc/97/91/57/473979157.db2.gz XVQYAUDNIWLYAX-LBPRGKRZSA-N 1 2 349.412 2.756 20 5 EFBDLO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270092394 473987265 /nfs/dbraw/zinc/98/72/65/473987265.db2.gz ABAMYNAGWFMTKC-GXTWGEPZSA-N 1 2 326.356 2.709 20 5 EFBDLO CSc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000188160441 474005140 /nfs/dbraw/zinc/00/51/40/474005140.db2.gz KIWZWPRWNRWVRL-UHFFFAOYSA-N 1 2 346.412 2.944 20 5 EFBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000282371651 474040292 /nfs/dbraw/zinc/04/02/92/474040292.db2.gz CCKYDGKQKCJBNR-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000282371651 474040301 /nfs/dbraw/zinc/04/03/01/474040301.db2.gz CCKYDGKQKCJBNR-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000195347676 474063760 /nfs/dbraw/zinc/06/37/60/474063760.db2.gz KDUAXQWIQWSANR-UHFFFAOYSA-N 1 2 340.387 2.977 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000195505285 474084612 /nfs/dbraw/zinc/08/46/12/474084612.db2.gz DAGHSOMPWSJMBV-QPJJXVBHSA-N 1 2 330.413 2.887 20 5 EFBDLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182171963 474113997 /nfs/dbraw/zinc/11/39/97/474113997.db2.gz KGWVURHEZSHNQR-CYBMUJFWSA-N 1 2 341.367 2.947 20 5 EFBDLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182171940 474114863 /nfs/dbraw/zinc/11/48/63/474114863.db2.gz KGWVURHEZSHNQR-ZDUSSCGKSA-N 1 2 341.367 2.947 20 5 EFBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000270439067 474119835 /nfs/dbraw/zinc/11/98/35/474119835.db2.gz FGRVYPVBNAPFLE-DOMZBBRYSA-N 1 2 328.372 2.567 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000289050508 474130766 /nfs/dbraw/zinc/13/07/66/474130766.db2.gz ZVOOJVFFBBYQQD-UHFFFAOYSA-N 1 2 347.394 2.581 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000175236189 474167592 /nfs/dbraw/zinc/16/75/92/474167592.db2.gz GKOHYWHPEJJVSV-BXUZGUMPSA-N 1 2 346.412 2.816 20 5 EFBDLO CCSCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000282726277 474171813 /nfs/dbraw/zinc/17/18/13/474171813.db2.gz SBADAXGKEXKCIR-UHFFFAOYSA-N 1 2 334.401 2.654 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)Cn1cc[nH+]c1 ZINC000225387892 474206675 /nfs/dbraw/zinc/20/66/75/474206675.db2.gz MZAATBWUFPTFLW-NSHDSACASA-N 1 2 332.360 2.635 20 5 EFBDLO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182642754 474224039 /nfs/dbraw/zinc/22/40/39/474224039.db2.gz SYRRLKPXHWSREA-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182642754 474224048 /nfs/dbraw/zinc/22/40/48/474224048.db2.gz SYRRLKPXHWSREA-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182830960 474266763 /nfs/dbraw/zinc/26/67/63/474266763.db2.gz UYNDXQBLLGBHNJ-OCCSQVGLSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182830960 474266769 /nfs/dbraw/zinc/26/67/69/474266769.db2.gz UYNDXQBLLGBHNJ-OCCSQVGLSA-N 1 2 347.415 2.683 20 5 EFBDLO COc1cc(COCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182859392 474272798 /nfs/dbraw/zinc/27/27/98/474272798.db2.gz OXLSETKDMGBMCF-UHFFFAOYSA-N 1 2 343.286 2.687 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C2OCCO2)s1 ZINC000289540773 474315276 /nfs/dbraw/zinc/31/52/76/474315276.db2.gz FQUVSGXRVSQBHL-UHFFFAOYSA-N 1 2 349.412 2.771 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C2OCCO2)s1 ZINC000289540773 474315284 /nfs/dbraw/zinc/31/52/84/474315284.db2.gz FQUVSGXRVSQBHL-UHFFFAOYSA-N 1 2 349.412 2.771 20 5 EFBDLO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553005 474321193 /nfs/dbraw/zinc/32/11/93/474321193.db2.gz DKRXAMMNHZVYIL-QMMMGPOBSA-N 1 2 332.187 2.599 20 5 EFBDLO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553005 474321200 /nfs/dbraw/zinc/32/12/00/474321200.db2.gz DKRXAMMNHZVYIL-QMMMGPOBSA-N 1 2 332.187 2.599 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000283166807 474325524 /nfs/dbraw/zinc/32/55/24/474325524.db2.gz YQNOQNBAOARXJJ-KBPBESRZSA-N 1 2 332.429 2.901 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275867335 474345972 /nfs/dbraw/zinc/34/59/72/474345972.db2.gz JPFAILDYBZZURK-ZDUSSCGKSA-N 1 2 343.221 2.950 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275867335 474345979 /nfs/dbraw/zinc/34/59/79/474345979.db2.gz JPFAILDYBZZURK-ZDUSSCGKSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283240732 474348075 /nfs/dbraw/zinc/34/80/75/474348075.db2.gz UTCLPGAIQHDYMZ-JTQLQIEISA-N 1 2 335.795 2.955 20 5 EFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000189455178 474403222 /nfs/dbraw/zinc/40/32/22/474403222.db2.gz CZRTYAODBFDZNL-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000189455178 474403225 /nfs/dbraw/zinc/40/32/25/474403225.db2.gz CZRTYAODBFDZNL-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289759650 474413539 /nfs/dbraw/zinc/41/35/39/474413539.db2.gz LOEYWLNJTQEMGY-RDJZCZTQSA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289759650 474413545 /nfs/dbraw/zinc/41/35/45/474413545.db2.gz LOEYWLNJTQEMGY-RDJZCZTQSA-N 1 2 347.415 2.731 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271164834 474415297 /nfs/dbraw/zinc/41/52/97/474415297.db2.gz JLDHCMLHFVXGDW-UHFFFAOYSA-N 1 2 346.391 2.590 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271164834 474415303 /nfs/dbraw/zinc/41/53/03/474415303.db2.gz JLDHCMLHFVXGDW-UHFFFAOYSA-N 1 2 346.391 2.590 20 5 EFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248773395 474432229 /nfs/dbraw/zinc/43/22/29/474432229.db2.gz RHPLXJPDWTWNOQ-KFWWJZLASA-N 1 2 333.432 2.920 20 5 EFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248773395 474432233 /nfs/dbraw/zinc/43/22/33/474432233.db2.gz RHPLXJPDWTWNOQ-KFWWJZLASA-N 1 2 333.432 2.920 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccon2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271197825 474437006 /nfs/dbraw/zinc/43/70/06/474437006.db2.gz 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COc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1F ZINC000184268378 474492411 /nfs/dbraw/zinc/49/24/11/474492411.db2.gz AHFKHPMWUGJRIY-AWEZNQCLSA-N 1 2 348.378 2.985 20 5 EFBDLO COc1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1F ZINC000184268378 474492417 /nfs/dbraw/zinc/49/24/17/474492417.db2.gz AHFKHPMWUGJRIY-AWEZNQCLSA-N 1 2 348.378 2.985 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000249140709 474536506 /nfs/dbraw/zinc/53/65/06/474536506.db2.gz XTDHZSVPCIXKGS-IAQYHMDHSA-N 1 2 328.372 2.567 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088889 474545959 /nfs/dbraw/zinc/54/59/59/474545959.db2.gz DJMHIFDEZDYJFM-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088889 474545968 /nfs/dbraw/zinc/54/59/68/474545968.db2.gz DJMHIFDEZDYJFM-LBPRGKRZSA-N 1 2 329.356 2.517 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609075138 480111301 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IGZIRYUHCHPRSE-SWLSCSKDSA-N 1 2 347.371 2.801 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000184821737 474615095 /nfs/dbraw/zinc/61/50/95/474615095.db2.gz YIGNLWKREPXLRK-GOEBONIOSA-N 1 2 344.415 2.813 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252477554 474664292 /nfs/dbraw/zinc/66/42/92/474664292.db2.gz QRYLBLWWMJQUPP-HUUCEWRRSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252477554 474664298 /nfs/dbraw/zinc/66/42/98/474664298.db2.gz QRYLBLWWMJQUPP-HUUCEWRRSA-N 1 2 344.408 2.522 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000305059391 474678132 /nfs/dbraw/zinc/67/81/32/474678132.db2.gz KLAZJNIOQWEBKC-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000305059391 474678135 /nfs/dbraw/zinc/67/81/35/474678135.db2.gz KLAZJNIOQWEBKC-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000267890242 474697167 /nfs/dbraw/zinc/69/71/67/474697167.db2.gz HHPABLQIGXFORW-CVEARBPZSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000267890242 474697172 /nfs/dbraw/zinc/69/71/72/474697172.db2.gz HHPABLQIGXFORW-CVEARBPZSA-N 1 2 348.424 2.981 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccncc1 ZINC000267894885 474698620 /nfs/dbraw/zinc/69/86/20/474698620.db2.gz JTELXAXXEJHJNC-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccncc1 ZINC000267894885 474698629 /nfs/dbraw/zinc/69/86/29/474698629.db2.gz JTELXAXXEJHJNC-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO COc1ccc(OCC[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338899201 474714227 /nfs/dbraw/zinc/71/42/27/474714227.db2.gz GCTRPATWWTYNNL-UHFFFAOYSA-N 1 2 332.356 2.820 20 5 EFBDLO COc1ccc(OCC[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338899201 474714236 /nfs/dbraw/zinc/71/42/36/474714236.db2.gz GCTRPATWWTYNNL-UHFFFAOYSA-N 1 2 332.356 2.820 20 5 EFBDLO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000267933647 474715006 /nfs/dbraw/zinc/71/50/06/474715006.db2.gz NLKLEQFQMJLGEN-AWEZNQCLSA-N 1 2 332.381 2.521 20 5 EFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340871526 474736667 /nfs/dbraw/zinc/73/66/67/474736667.db2.gz DDBADNRRSHKCPM-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@]1(C)COCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340871526 474736676 /nfs/dbraw/zinc/73/66/76/474736676.db2.gz DDBADNRRSHKCPM-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000278626658 474743834 /nfs/dbraw/zinc/74/38/34/474743834.db2.gz GNHMEKOAOSZDPB-JTQLQIEISA-N 1 2 334.328 2.834 20 5 EFBDLO Cc1c([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cccc1[N+](=O)[O-] ZINC000305785301 474782009 /nfs/dbraw/zinc/78/20/09/474782009.db2.gz BMLMYJAYLXFXTG-CYBMUJFWSA-N 1 2 330.388 2.900 20 5 EFBDLO CC(C)(C)C(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255182139 474817899 /nfs/dbraw/zinc/81/78/99/474817899.db2.gz PGPNJSXRFMHDJF-VURMDHGXSA-N 1 2 331.416 2.798 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000292060216 474827080 /nfs/dbraw/zinc/82/70/80/474827080.db2.gz BPFGSSZCVIRNIG-GFCCVEGCSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000292060216 474827087 /nfs/dbraw/zinc/82/70/87/474827087.db2.gz BPFGSSZCVIRNIG-GFCCVEGCSA-N 1 2 347.371 2.964 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000311643886 474841069 /nfs/dbraw/zinc/84/10/69/474841069.db2.gz AHJOHBDNIPWSNW-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000311643886 474841075 /nfs/dbraw/zinc/84/10/75/474841075.db2.gz AHJOHBDNIPWSNW-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO CCOC(=O)c1cc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268204276 474860578 /nfs/dbraw/zinc/86/05/78/474860578.db2.gz ZLXQJLIXJGKVHE-UHFFFAOYSA-N 1 2 344.371 2.845 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337312823 474885841 /nfs/dbraw/zinc/88/58/41/474885841.db2.gz FWPVZCMIZMXJDQ-UHFFFAOYSA-N 1 2 343.387 2.628 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000339059081 474891140 /nfs/dbraw/zinc/89/11/40/474891140.db2.gz FBJMXKCHVWDNGI-LLVKDONJSA-N 1 2 336.335 2.523 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000339059081 474891148 /nfs/dbraw/zinc/89/11/48/474891148.db2.gz FBJMXKCHVWDNGI-LLVKDONJSA-N 1 2 336.335 2.523 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CCC2 ZINC000337319556 474891936 /nfs/dbraw/zinc/89/19/36/474891936.db2.gz NVZAOCNYGOEETH-NSHDSACASA-N 1 2 332.335 2.546 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000339117137 474942998 /nfs/dbraw/zinc/94/29/98/474942998.db2.gz BZQNRFRQKXJXLG-IBGZPJMESA-N 1 2 342.395 2.870 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000339117137 474943005 /nfs/dbraw/zinc/94/30/05/474943005.db2.gz BZQNRFRQKXJXLG-IBGZPJMESA-N 1 2 342.395 2.870 20 5 EFBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000292286262 474943033 /nfs/dbraw/zinc/94/30/33/474943033.db2.gz CCQCYSZRUBGQEU-ONGXEEELSA-N 1 2 329.194 2.703 20 5 EFBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000292286262 474943041 /nfs/dbraw/zinc/94/30/41/474943041.db2.gz CCQCYSZRUBGQEU-ONGXEEELSA-N 1 2 329.194 2.703 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000268429741 474975260 /nfs/dbraw/zinc/97/52/60/474975260.db2.gz AWSPPEVUJNWRCI-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273586141 474977578 /nfs/dbraw/zinc/97/75/78/474977578.db2.gz GNCHMFLRCAYFCN-LLVKDONJSA-N 1 2 349.341 2.546 20 5 EFBDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000292417906 475015568 /nfs/dbraw/zinc/01/55/68/475015568.db2.gz KMBKZCYXXZGNLQ-OAHLLOKOSA-N 1 2 340.445 2.735 20 5 EFBDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000292417906 475015571 /nfs/dbraw/zinc/01/55/71/475015571.db2.gz KMBKZCYXXZGNLQ-OAHLLOKOSA-N 1 2 340.445 2.735 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505681 475018387 /nfs/dbraw/zinc/01/83/87/475018387.db2.gz BYNHDPQXAKCEOA-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505681 475018393 /nfs/dbraw/zinc/01/83/93/475018393.db2.gz BYNHDPQXAKCEOA-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000273840431 475077793 /nfs/dbraw/zinc/07/77/93/475077793.db2.gz HRAJWKLDZLUGCQ-UHFFFAOYSA-N 1 2 331.372 2.909 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@](C)(O)C(F)(F)F ZINC000281155111 475094307 /nfs/dbraw/zinc/09/43/07/475094307.db2.gz BDHGFWAEPHBENR-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@](C)(O)C(F)(F)F ZINC000281155111 475094314 /nfs/dbraw/zinc/09/43/14/475094314.db2.gz BDHGFWAEPHBENR-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000341588068 475169708 /nfs/dbraw/zinc/16/97/08/475169708.db2.gz PVOSDDXRVCGAAC-MRVPVSSYSA-N 1 2 330.266 2.933 20 5 EFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC(C)C ZINC000345462461 475204997 /nfs/dbraw/zinc/20/49/97/475204997.db2.gz MVFDIKSDEPEZJJ-CQSZACIVSA-N 1 2 337.420 2.787 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000341685970 475223181 /nfs/dbraw/zinc/22/31/81/475223181.db2.gz FCJHZWKTQYFNGZ-INIZCTEOSA-N 1 2 328.372 2.528 20 5 EFBDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000341688269 475223707 /nfs/dbraw/zinc/22/37/07/475223707.db2.gz 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CC1(C)C[C@H]([NH2+][C@@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631528 475404685 /nfs/dbraw/zinc/40/46/85/475404685.db2.gz BJYMSZAUOGWISG-JKSUJKDBSA-N 1 2 340.383 2.528 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000354780693 475404755 /nfs/dbraw/zinc/40/47/55/475404755.db2.gz BKHZTZWYEGZEOE-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000354780693 475404765 /nfs/dbraw/zinc/40/47/65/475404765.db2.gz BKHZTZWYEGZEOE-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000354812493 475429346 /nfs/dbraw/zinc/42/93/46/475429346.db2.gz XKQLHWWSWWQTOB-GTBONMDNSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000354812493 475429353 /nfs/dbraw/zinc/42/93/53/475429353.db2.gz XKQLHWWSWWQTOB-GTBONMDNSA-N 1 2 344.371 2.930 20 5 EFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332086415 475505770 /nfs/dbraw/zinc/50/57/70/475505770.db2.gz GXNSSAVYLBUDQA-NSHDSACASA-N 1 2 334.401 2.503 20 5 EFBDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352667268 475510205 /nfs/dbraw/zinc/51/02/05/475510205.db2.gz JOXNRRAANFZADG-YOEHRIQHSA-N 1 2 349.431 2.533 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000348255876 475529297 /nfs/dbraw/zinc/52/92/97/475529297.db2.gz KVJORXIJODNLRU-UHFFFAOYSA-N 1 2 329.356 2.592 20 5 EFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000361561526 475550486 /nfs/dbraw/zinc/55/04/86/475550486.db2.gz FTCBCAXXBMFYFG-GFCCVEGCSA-N 1 2 346.362 2.562 20 5 EFBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1)[NH+]1CCOCC1 ZINC000354975828 475571330 /nfs/dbraw/zinc/57/13/30/475571330.db2.gz MDORRMZYMQAAQD-LBPRGKRZSA-N 1 2 344.371 2.568 20 5 EFBDLO Cc1noc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361603225 475590262 /nfs/dbraw/zinc/59/02/62/475590262.db2.gz PPKBQDDWYSFFFS-JTQLQIEISA-N 1 2 342.359 2.538 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@H](C)C1 ZINC000332299751 475593738 /nfs/dbraw/zinc/59/37/38/475593738.db2.gz HCHOFOPCBRYZME-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@H](C)C1 ZINC000332299751 475593740 /nfs/dbraw/zinc/59/37/40/475593740.db2.gz HCHOFOPCBRYZME-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332384911 475621466 /nfs/dbraw/zinc/62/14/66/475621466.db2.gz BQVCMANHDXGTST-SNVBAGLBSA-N 1 2 333.323 2.869 20 5 EFBDLO CCOC(=O)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000355047590 475624120 /nfs/dbraw/zinc/62/41/20/475624120.db2.gz FTMYTQDBSKIDCK-WVRJYTFGSA-N 1 2 348.399 2.556 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332414447 475629527 /nfs/dbraw/zinc/62/95/27/475629527.db2.gz SYFGLIVMLAMZFT-RYUDHWBXSA-N 1 2 346.362 2.967 20 5 EFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332456606 475642897 /nfs/dbraw/zinc/64/28/97/475642897.db2.gz NUWPXYUGFMRBKC-UHFFFAOYSA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000348493765 475699720 /nfs/dbraw/zinc/69/97/20/475699720.db2.gz NPLDBVSDIYPLNJ-LLVKDONJSA-N 1 2 334.401 2.957 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348538982 475738212 /nfs/dbraw/zinc/73/82/12/475738212.db2.gz IYXIPIIHNYQYKO-MRXNPFEDSA-N 1 2 341.367 2.989 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348538982 475738216 /nfs/dbraw/zinc/73/82/16/475738216.db2.gz IYXIPIIHNYQYKO-MRXNPFEDSA-N 1 2 341.367 2.989 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348574313 475766881 /nfs/dbraw/zinc/76/68/81/475766881.db2.gz GXEUODKEGSGYOO-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348574313 475766888 /nfs/dbraw/zinc/76/68/88/475766888.db2.gz GXEUODKEGSGYOO-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO CCOc1cc(C(=O)Nc2c[nH+]ccc2OC)c([N+](=O)[O-])cc1OC ZINC000346709434 475785766 /nfs/dbraw/zinc/78/57/66/475785766.db2.gz YKBIPSBACYEEQJ-UHFFFAOYSA-N 1 2 347.327 2.658 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CC(F)(F)F)no1 ZINC000338344318 475807768 /nfs/dbraw/zinc/80/77/68/475807768.db2.gz AJTXJXBKLMTACC-UHFFFAOYSA-N 1 2 344.293 2.757 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CC(F)(F)F)no1 ZINC000338344318 475807774 /nfs/dbraw/zinc/80/77/74/475807774.db2.gz AJTXJXBKLMTACC-UHFFFAOYSA-N 1 2 344.293 2.757 20 5 EFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000355305159 475812478 /nfs/dbraw/zinc/81/24/78/475812478.db2.gz HUXZRXSIIAOIMB-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000355322321 475826569 /nfs/dbraw/zinc/82/65/69/475826569.db2.gz INPZOGBOFQJJSC-HYXAFXHYSA-N 1 2 338.411 2.821 20 5 EFBDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192578 475844930 /nfs/dbraw/zinc/84/49/30/475844930.db2.gz NVCIAIXFJDQIFG-BXUZGUMPSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192578 475844937 /nfs/dbraw/zinc/84/49/37/475844937.db2.gz NVCIAIXFJDQIFG-BXUZGUMPSA-N 1 2 348.321 2.881 20 5 EFBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[nH+]1 ZINC000343224777 475866874 /nfs/dbraw/zinc/86/68/74/475866874.db2.gz MGRFBQHNKXNXED-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO Cc1cccc(CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[nH+]1 ZINC000343233721 475874222 /nfs/dbraw/zinc/87/42/22/475874222.db2.gz KOEAPALXQATXHU-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000358708462 475874846 /nfs/dbraw/zinc/87/48/46/475874846.db2.gz XXHUJTCJAWBXLL-UMVBOHGHSA-N 1 2 347.415 2.778 20 5 EFBDLO COc1ccc(NC(=O)CC[N@H+](CC(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000297783938 475885111 /nfs/dbraw/zinc/88/51/11/475885111.db2.gz AEYHDFBBRHMYGN-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO COc1ccc(NC(=O)CC[N@@H+](CC(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000297783938 475885113 /nfs/dbraw/zinc/88/51/13/475885113.db2.gz AEYHDFBBRHMYGN-UHFFFAOYSA-N 1 2 345.346 2.908 20 5 EFBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C ZINC000333341427 475909078 /nfs/dbraw/zinc/90/90/78/475909078.db2.gz PAQHZIISIYTROW-KGLIPLIRSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000333341427 475909083 /nfs/dbraw/zinc/90/90/83/475909083.db2.gz PAQHZIISIYTROW-KGLIPLIRSA-N 1 2 349.434 2.846 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353391568 475931360 /nfs/dbraw/zinc/93/13/60/475931360.db2.gz DAKSHWOQEXFKJL-HZPDHXFCSA-N 1 2 330.388 2.576 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000355443182 475942779 /nfs/dbraw/zinc/94/27/79/475942779.db2.gz UIGXMYCAQXALIG-SECBINFHSA-N 1 2 349.309 2.815 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355443182 475942789 /nfs/dbraw/zinc/94/27/89/475942789.db2.gz UIGXMYCAQXALIG-SECBINFHSA-N 1 2 349.309 2.815 20 5 EFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343345086 475969637 /nfs/dbraw/zinc/96/96/37/475969637.db2.gz QFEVJXWOUJNGHJ-UHFFFAOYSA-N 1 2 341.302 2.626 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000353457984 475985596 /nfs/dbraw/zinc/98/55/96/475985596.db2.gz BDSZTYQXHFUBHR-CQSZACIVSA-N 1 2 329.385 2.664 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C(F)F ZINC000343373673 475997895 /nfs/dbraw/zinc/99/78/95/475997895.db2.gz DUZGZRQYZTXPEC-GFCCVEGCSA-N 1 2 336.298 2.650 20 5 EFBDLO Cn1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353512470 476033925 /nfs/dbraw/zinc/03/39/25/476033925.db2.gz CUBVQBVLWWPRCD-MRXNPFEDSA-N 1 2 325.372 2.546 20 5 EFBDLO Cc1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353520243 476043060 /nfs/dbraw/zinc/04/30/60/476043060.db2.gz NMCUTUXKZJLGHS-OAHLLOKOSA-N 1 2 327.344 2.504 20 5 EFBDLO CCC(CC)[C@@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531493 476053480 /nfs/dbraw/zinc/05/34/80/476053480.db2.gz VITWKUHGEHXPHP-IRXDYDNUSA-N 1 2 346.431 2.804 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCNc1ccc2ccccc2[nH+]1 ZINC000358953808 476067706 /nfs/dbraw/zinc/06/77/06/476067706.db2.gz OMPJNFUFWRRJKG-UHFFFAOYSA-N 1 2 340.387 2.614 20 5 EFBDLO CCc1nn(C)cc1N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353584849 476101098 /nfs/dbraw/zinc/10/10/98/476101098.db2.gz LURTYTINKKUIOU-INIZCTEOSA-N 1 2 340.387 2.826 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3ccc[nH+]c3C)n2)c1 ZINC000347131228 476116934 /nfs/dbraw/zinc/11/69/34/476116934.db2.gz IPWFTIUHBNKOAA-UHFFFAOYSA-N 1 2 340.339 2.871 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347142675 476124992 /nfs/dbraw/zinc/12/49/92/476124992.db2.gz XEGOXXJFYJGZAV-UHFFFAOYSA-N 1 2 344.293 2.859 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347142675 476124999 /nfs/dbraw/zinc/12/49/99/476124999.db2.gz XEGOXXJFYJGZAV-UHFFFAOYSA-N 1 2 344.293 2.859 20 5 EFBDLO COc1ccc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000353619093 476128684 /nfs/dbraw/zinc/12/86/84/476128684.db2.gz HXWBLAIXVXIJRH-INIZCTEOSA-N 1 2 339.355 2.933 20 5 EFBDLO Cc1c(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000353667998 476173253 /nfs/dbraw/zinc/17/32/53/476173253.db2.gz WNZUQMZUYSOIMA-HNNXBMFYSA-N 1 2 326.360 2.572 20 5 EFBDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000357034575 476175527 /nfs/dbraw/zinc/17/55/27/476175527.db2.gz ZTMXBXRINNIABA-MRXNPFEDSA-N 1 2 348.378 2.744 20 5 EFBDLO CO[C@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000338789791 476189316 /nfs/dbraw/zinc/18/93/16/476189316.db2.gz IFPPDSBGBHGHRZ-OAHLLOKOSA-N 1 2 328.372 2.619 20 5 EFBDLO CCSCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000336923509 476209639 /nfs/dbraw/zinc/20/96/39/476209639.db2.gz JDZNBBSNJWHZNW-UHFFFAOYSA-N 1 2 339.461 2.982 20 5 EFBDLO CN(C)c1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000347261356 476212985 /nfs/dbraw/zinc/21/29/85/476212985.db2.gz MFGUYXXAEVMDPI-UHFFFAOYSA-N 1 2 333.323 2.517 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000353753737 476247907 /nfs/dbraw/zinc/24/79/07/476247907.db2.gz YBAICRVGGWKZIU-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000353753737 476247916 /nfs/dbraw/zinc/24/79/16/476247916.db2.gz YBAICRVGGWKZIU-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO CN1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000353753713 476248387 /nfs/dbraw/zinc/24/83/87/476248387.db2.gz XXDFTJGYZPFRPE-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000353753713 476248392 /nfs/dbraw/zinc/24/83/92/476248392.db2.gz XXDFTJGYZPFRPE-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000304049593 476263732 /nfs/dbraw/zinc/26/37/32/476263732.db2.gz KLLBOHLHTKKALL-QGZVFWFLSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000304049593 476263736 /nfs/dbraw/zinc/26/37/36/476263736.db2.gz KLLBOHLHTKKALL-QGZVFWFLSA-N 1 2 334.347 2.908 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000357161323 476269900 /nfs/dbraw/zinc/26/99/00/476269900.db2.gz KPYHRXXSERQFMV-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000357161323 476269904 /nfs/dbraw/zinc/26/99/04/476269904.db2.gz KPYHRXXSERQFMV-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000353813839 476285273 /nfs/dbraw/zinc/28/52/73/476285273.db2.gz HYOAEMSYBWNGJS-MYODQAERSA-N 1 2 334.397 2.808 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000353813839 476285277 /nfs/dbraw/zinc/28/52/77/476285277.db2.gz HYOAEMSYBWNGJS-MYODQAERSA-N 1 2 334.397 2.808 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000362724488 476370664 /nfs/dbraw/zinc/37/06/64/476370664.db2.gz BCSSUDWKPMIUFP-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cc(N2CC[C@](O)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000377467562 476407681 /nfs/dbraw/zinc/40/76/81/476407681.db2.gz GUZUZSVAOTYWEF-GOSISDBHSA-N 1 2 340.383 2.711 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354108681 476433558 /nfs/dbraw/zinc/43/35/58/476433558.db2.gz GKIYQWWFPQXOCF-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354108681 476433566 /nfs/dbraw/zinc/43/35/66/476433566.db2.gz GKIYQWWFPQXOCF-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO Cc1c(Cc2noc(C[C@@H](C)n3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000351416401 476447606 /nfs/dbraw/zinc/44/76/06/476447606.db2.gz ASKWNQJOCBBDDQ-LLVKDONJSA-N 1 2 327.344 2.877 20 5 EFBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008882 476515696 /nfs/dbraw/zinc/51/56/96/476515696.db2.gz SACDTDVIYOFWFI-BXUZGUMPSA-N 1 2 339.342 2.677 20 5 EFBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008882 476515700 /nfs/dbraw/zinc/51/57/00/476515700.db2.gz SACDTDVIYOFWFI-BXUZGUMPSA-N 1 2 339.342 2.677 20 5 EFBDLO CCc1ccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000369784198 476522418 /nfs/dbraw/zinc/52/24/18/476522418.db2.gz MDUWGZKDKIBHLO-HNNXBMFYSA-N 1 2 342.399 2.970 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000374785923 476529166 /nfs/dbraw/zinc/52/91/66/476529166.db2.gz XRBCYRKEKPOBMJ-UHFFFAOYSA-N 1 2 335.367 2.910 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364550014 476533452 /nfs/dbraw/zinc/53/34/52/476533452.db2.gz MSXMPILVVUYLFW-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364550014 476533459 /nfs/dbraw/zinc/53/34/59/476533459.db2.gz MSXMPILVVUYLFW-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000374828034 476546879 /nfs/dbraw/zinc/54/68/79/476546879.db2.gz WHOBNLQODMHGPV-UHFFFAOYSA-N 1 2 344.371 2.736 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374828034 476546887 /nfs/dbraw/zinc/54/68/87/476546887.db2.gz WHOBNLQODMHGPV-UHFFFAOYSA-N 1 2 344.371 2.736 20 5 EFBDLO CCc1cc(NCC[C@@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000361069186 476580743 /nfs/dbraw/zinc/58/07/43/476580743.db2.gz XRZUYRJYYOLVHR-MRXNPFEDSA-N 1 2 344.415 2.855 20 5 EFBDLO Cc1ccc(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1C ZINC000363172016 476591333 /nfs/dbraw/zinc/59/13/33/476591333.db2.gz GVFCSDGLGGWEIM-UHFFFAOYSA-N 1 2 344.415 2.989 20 5 EFBDLO COc1cccc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000370047461 476647191 /nfs/dbraw/zinc/64/71/91/476647191.db2.gz YBWGBLDJSSDVNJ-UHFFFAOYSA-N 1 2 328.372 2.626 20 5 EFBDLO COc1cccc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000370047461 476647195 /nfs/dbraw/zinc/64/71/95/476647195.db2.gz YBWGBLDJSSDVNJ-UHFFFAOYSA-N 1 2 328.372 2.626 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889478 476702713 /nfs/dbraw/zinc/70/27/13/476702713.db2.gz MKKHYMUPRUABIF-QPUJVOFHSA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889478 476702721 /nfs/dbraw/zinc/70/27/21/476702721.db2.gz MKKHYMUPRUABIF-QPUJVOFHSA-N 1 2 338.713 2.993 20 5 EFBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000443427085 476717693 /nfs/dbraw/zinc/71/76/93/476717693.db2.gz FNABJCOIPNIIIQ-CQSZACIVSA-N 1 2 348.428 2.845 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284695 476757416 /nfs/dbraw/zinc/75/74/16/476757416.db2.gz SGQMSLGLEMBVRT-HNNXBMFYSA-N 1 2 340.305 2.640 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284695 476757426 /nfs/dbraw/zinc/75/74/26/476757426.db2.gz SGQMSLGLEMBVRT-HNNXBMFYSA-N 1 2 340.305 2.640 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000387750158 476773612 /nfs/dbraw/zinc/77/36/12/476773612.db2.gz AWZHDFGVNWUTEJ-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000387750158 476773618 /nfs/dbraw/zinc/77/36/18/476773618.db2.gz AWZHDFGVNWUTEJ-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000430203345 476781182 /nfs/dbraw/zinc/78/11/82/476781182.db2.gz FCYWODFORDPNRL-AWEZNQCLSA-N 1 2 338.310 2.705 20 5 EFBDLO COCC[N@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233497 476787474 /nfs/dbraw/zinc/78/74/74/476787474.db2.gz QJAJUNJCDBKYRF-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233497 476787481 /nfs/dbraw/zinc/78/74/81/476787481.db2.gz QJAJUNJCDBKYRF-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO Cc1cc(OCC(=O)Nc2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000430679213 476897378 /nfs/dbraw/zinc/89/73/78/476897378.db2.gz UXZSUJVRNQJQAA-UHFFFAOYSA-N 1 2 326.312 2.568 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c[nH+]c2n1CCCC2 ZINC000452331501 476918778 /nfs/dbraw/zinc/91/87/78/476918778.db2.gz DINJHIPHVZUGNF-UHFFFAOYSA-N 1 2 339.355 2.790 20 5 EFBDLO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000452343778 476924365 /nfs/dbraw/zinc/92/43/65/476924365.db2.gz YJEOBNOKDYOIMX-AWEZNQCLSA-N 1 2 335.404 2.541 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nccn3-c3ccccc3)nc2c1 ZINC000446850069 476927419 /nfs/dbraw/zinc/92/74/19/476927419.db2.gz VEYRQDMFDXFCNV-UHFFFAOYSA-N 1 2 348.366 2.947 20 5 EFBDLO CC[C@H](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452405993 476951014 /nfs/dbraw/zinc/95/10/14/476951014.db2.gz KKVGHSCBVNGWFC-LRDDRELGSA-N 1 2 346.387 2.571 20 5 EFBDLO CC[C@H](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452405991 476951594 /nfs/dbraw/zinc/95/15/94/476951594.db2.gz KKVGHSCBVNGWFC-BLLLJJGKSA-N 1 2 346.387 2.571 20 5 EFBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(C)C ZINC000416039754 477000147 /nfs/dbraw/zinc/00/01/47/477000147.db2.gz GOAJZLKOMAWACV-CQSZACIVSA-N 1 2 346.387 2.571 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](C2CC2)C1 ZINC000447799743 477058135 /nfs/dbraw/zinc/05/81/35/477058135.db2.gz LOXMFXFCTCBPLX-INIZCTEOSA-N 1 2 331.416 2.663 20 5 EFBDLO Cc1cc(NC[C@@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447810659 477064150 /nfs/dbraw/zinc/06/41/50/477064150.db2.gz KPRWZDHXFOVFSS-LBPRGKRZSA-N 1 2 330.413 2.947 20 5 EFBDLO CO[C@H]1CCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817915 477065245 /nfs/dbraw/zinc/06/52/45/477065245.db2.gz TZMRYPQQRRUMKM-QAPCUYQASA-N 1 2 349.431 2.654 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833618 477069714 /nfs/dbraw/zinc/06/97/14/477069714.db2.gz UDVXWPYOOHKPLK-XJKSGUPXSA-N 1 2 349.431 2.977 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833618 477069723 /nfs/dbraw/zinc/06/97/23/477069723.db2.gz UDVXWPYOOHKPLK-XJKSGUPXSA-N 1 2 349.431 2.977 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000371043002 477094590 /nfs/dbraw/zinc/09/45/90/477094590.db2.gz LFHCYRNIIPVWTB-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000366683752 477131248 /nfs/dbraw/zinc/13/12/48/477131248.db2.gz COFVHWFYXZSCCH-NSHDSACASA-N 1 2 332.335 2.546 20 5 EFBDLO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000432049929 477144889 /nfs/dbraw/zinc/14/48/89/477144889.db2.gz XJMRDYKXEOTPRF-LSDHHAIUSA-N 1 2 349.431 2.931 20 5 EFBDLO Cc1c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000376114614 477181610 /nfs/dbraw/zinc/18/16/10/477181610.db2.gz NIWVXWMOPLLNOY-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO CCCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448947652 477354388 /nfs/dbraw/zinc/35/43/88/477354388.db2.gz ZAHMQJBLJHVWCJ-UHFFFAOYSA-N 1 2 346.387 2.669 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454789220 477377923 /nfs/dbraw/zinc/37/79/23/477377923.db2.gz FJQAOTCFHPOOHZ-TVQRCGJNSA-N 1 2 349.778 2.950 20 5 EFBDLO Cc1c(CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454853323 477405746 /nfs/dbraw/zinc/40/57/46/477405746.db2.gz KUSUYAAHUJLRBG-MFKMUULPSA-N 1 2 329.360 2.605 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376619726 477432387 /nfs/dbraw/zinc/43/23/87/477432387.db2.gz PXWYQLPMGPMZOU-LEWSCRJBSA-N 1 2 330.344 2.569 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376619726 477432394 /nfs/dbraw/zinc/43/23/94/477432394.db2.gz PXWYQLPMGPMZOU-LEWSCRJBSA-N 1 2 330.344 2.569 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000436259042 477450865 /nfs/dbraw/zinc/45/08/65/477450865.db2.gz JISKJHDCKAHHKC-INIZCTEOSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000436259042 477450871 /nfs/dbraw/zinc/45/08/71/477450871.db2.gz JISKJHDCKAHHKC-INIZCTEOSA-N 1 2 343.383 2.507 20 5 EFBDLO CCCNC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413102485 477518017 /nfs/dbraw/zinc/51/80/17/477518017.db2.gz KDJHWSOQGFFSQO-CQSZACIVSA-N 1 2 342.399 2.886 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367583205 477582734 /nfs/dbraw/zinc/58/27/34/477582734.db2.gz BHYHLMFIQJGMQW-IUODEOHRSA-N 1 2 339.823 2.543 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413278245 477606095 /nfs/dbraw/zinc/60/60/95/477606095.db2.gz DZHDHHNHYFAUTQ-CQSZACIVSA-N 1 2 349.412 2.547 20 5 EFBDLO O=C1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000413284830 477609683 /nfs/dbraw/zinc/60/96/83/477609683.db2.gz PPXLDEFIQUYPNT-LSDHHAIUSA-N 1 2 326.356 2.708 20 5 EFBDLO COCCO[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413290042 477612824 /nfs/dbraw/zinc/61/28/24/477612824.db2.gz ZHXUTKZZPDMGIA-HNNXBMFYSA-N 1 2 331.372 2.775 20 5 EFBDLO CC(=O)NCC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413299601 477618349 /nfs/dbraw/zinc/61/83/49/477618349.db2.gz MIFXKXQMJYCEQH-AWEZNQCLSA-N 1 2 342.399 2.886 20 5 EFBDLO Cc1cc(NC[C@H]2CC[C@H](C)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413376425 477653909 /nfs/dbraw/zinc/65/39/09/477653909.db2.gz MPGFJAVIUARTLG-SWLSCSKDSA-N 1 2 328.372 2.762 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1[N+](=O)[O-] ZINC000367724405 477656856 /nfs/dbraw/zinc/65/68/56/477656856.db2.gz WNEZNNMFZJTVBU-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000367735141 477662423 /nfs/dbraw/zinc/66/24/23/477662423.db2.gz WXUIPILIGSMBAO-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO CCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)COC1 ZINC000450850497 477736068 /nfs/dbraw/zinc/73/60/68/477736068.db2.gz ZODNIZBYFHPEEL-UHFFFAOYSA-N 1 2 328.372 2.621 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372293455 477739736 /nfs/dbraw/zinc/73/97/36/477739736.db2.gz DTYIYKNEIQUBMJ-ZFWWWQNUSA-N 1 2 347.415 2.813 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372293455 477739745 /nfs/dbraw/zinc/73/97/45/477739745.db2.gz DTYIYKNEIQUBMJ-ZFWWWQNUSA-N 1 2 347.415 2.813 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420706172 477768028 /nfs/dbraw/zinc/76/80/28/477768028.db2.gz ZZHZJYQCCXXQIB-UHFFFAOYSA-N 1 2 349.412 2.648 20 5 EFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)[nH+]c1C ZINC000372358217 477771837 /nfs/dbraw/zinc/77/18/37/477771837.db2.gz QZHWTFUPLJJJHA-UHFFFAOYSA-N 1 2 326.316 2.577 20 5 EFBDLO CSc1cccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000372365364 477775109 /nfs/dbraw/zinc/77/51/09/477775109.db2.gz IJIKGFSUMBRCJU-NSHDSACASA-N 1 2 346.412 2.680 20 5 EFBDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000420944693 477846111 /nfs/dbraw/zinc/84/61/11/477846111.db2.gz ACHXZFSARRSSBQ-APHBMKBZSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420960084 477857480 /nfs/dbraw/zinc/85/74/80/477857480.db2.gz RAHUQZVWMKNWEO-APHBMKBZSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420960085 477857732 /nfs/dbraw/zinc/85/77/32/477857732.db2.gz RAHUQZVWMKNWEO-DAXOMENPSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](CC)O1 ZINC000420961276 477858123 /nfs/dbraw/zinc/85/81/23/477858123.db2.gz SDSVQONJPBBGGM-IXDOHACOSA-N 1 2 347.415 2.590 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](CC)O1 ZINC000420961276 477858128 /nfs/dbraw/zinc/85/81/28/477858128.db2.gz SDSVQONJPBBGGM-IXDOHACOSA-N 1 2 347.415 2.590 20 5 EFBDLO CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456338190 477868396 /nfs/dbraw/zinc/86/83/96/477868396.db2.gz WTWOERNWUVLGFI-KBPBESRZSA-N 1 2 328.372 2.802 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456348902 477876063 /nfs/dbraw/zinc/87/60/63/477876063.db2.gz ITYFTGOTVYMZKU-SNVBAGLBSA-N 1 2 327.344 2.784 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456354613 477881205 /nfs/dbraw/zinc/88/12/05/477881205.db2.gz NQENQUOOGXLPGU-NSHDSACASA-N 1 2 332.360 2.701 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456359028 477885873 /nfs/dbraw/zinc/88/58/73/477885873.db2.gz CSAITPIBFVAAGO-TVQRCGJNSA-N 1 2 334.763 2.809 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456362304 477887828 /nfs/dbraw/zinc/88/78/28/477887828.db2.gz DWPLBAAXHXEKEW-STQMWFEESA-N 1 2 344.371 2.691 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456365038 477889876 /nfs/dbraw/zinc/88/98/76/477889876.db2.gz VSNGNTAPGYDECO-QWRGUYRKSA-N 1 2 334.351 2.931 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456373914 477894894 /nfs/dbraw/zinc/89/48/94/477894894.db2.gz JINAIFFUKFXRSR-YGRLFVJLSA-N 1 2 341.371 2.801 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428466612 477903629 /nfs/dbraw/zinc/90/36/29/477903629.db2.gz WERFIYHZEHWELJ-LBPRGKRZSA-N 1 2 345.424 2.986 20 5 EFBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428466612 477903638 /nfs/dbraw/zinc/90/36/38/477903638.db2.gz WERFIYHZEHWELJ-LBPRGKRZSA-N 1 2 345.424 2.986 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2[nH+]ccn21 ZINC000456401675 477914303 /nfs/dbraw/zinc/91/43/03/477914303.db2.gz VXSHEGQEHVFPGE-RISCZKNCSA-N 1 2 339.355 2.568 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000456403065 477915260 /nfs/dbraw/zinc/91/52/60/477915260.db2.gz WJRYTMQXRPLVIT-LLVKDONJSA-N 1 2 334.401 2.781 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000456404369 477915685 /nfs/dbraw/zinc/91/56/85/477915685.db2.gz XGCKCDBHVPSDPG-GFCCVEGCSA-N 1 2 341.371 2.643 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456409490 477919440 /nfs/dbraw/zinc/91/94/40/477919440.db2.gz ZWFKUXBNLGHULJ-ZDUSSCGKSA-N 1 2 346.387 2.766 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456415927 477923492 /nfs/dbraw/zinc/92/34/92/477923492.db2.gz JPBPGSKZTRZIGP-QWRGUYRKSA-N 1 2 330.344 2.626 20 5 EFBDLO CCc1cc(N[C@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000463075661 477924677 /nfs/dbraw/zinc/92/46/77/477924677.db2.gz CVVFATDWMAZGJB-ZDUSSCGKSA-N 1 2 330.413 2.954 20 5 EFBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)c1C ZINC000428589215 477936676 /nfs/dbraw/zinc/93/66/76/477936676.db2.gz WLEYXISLLKWNCC-UHFFFAOYSA-N 1 2 325.328 2.978 20 5 EFBDLO C[C@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451359701 477974430 /nfs/dbraw/zinc/97/44/30/477974430.db2.gz DFCZGYMSVFLOKH-QWHCGFSZSA-N 1 2 328.372 2.947 20 5 EFBDLO Cc1c(C[NH2+]C(C)(C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000451415123 478003204 /nfs/dbraw/zinc/00/32/04/478003204.db2.gz UWRWUWBNINJABY-UHFFFAOYSA-N 1 2 329.404 2.856 20 5 EFBDLO CSCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451432201 478015496 /nfs/dbraw/zinc/01/54/96/478015496.db2.gz LHVLPUQWJZCBTD-UHFFFAOYSA-N 1 2 334.401 2.606 20 5 EFBDLO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C)c([N+](=O)[O-])c1 ZINC000439706850 478019430 /nfs/dbraw/zinc/01/94/30/478019430.db2.gz PLFMROFDYSOLDF-UHFFFAOYSA-N 1 2 325.328 2.585 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533395256 478074694 /nfs/dbraw/zinc/07/46/94/478074694.db2.gz PPLXEROXJHSIJH-UHFFFAOYSA-N 1 2 341.367 2.606 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533395256 478074702 /nfs/dbraw/zinc/07/47/02/478074702.db2.gz PPLXEROXJHSIJH-UHFFFAOYSA-N 1 2 341.367 2.606 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCNc1cccc[nH+]1 ZINC000429214582 478080716 /nfs/dbraw/zinc/08/07/16/478080716.db2.gz MNGMODWIPIAASX-UHFFFAOYSA-N 1 2 344.371 2.999 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nccs1 ZINC000451547268 478082124 /nfs/dbraw/zinc/08/21/24/478082124.db2.gz KYRVPSIWIBKQGC-CYBMUJFWSA-N 1 2 346.412 2.869 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nccs1 ZINC000451547268 478082131 /nfs/dbraw/zinc/08/21/31/478082131.db2.gz KYRVPSIWIBKQGC-CYBMUJFWSA-N 1 2 346.412 2.869 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533532549 478094588 /nfs/dbraw/zinc/09/45/88/478094588.db2.gz UACFXESGSBHMOK-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533532549 478094597 /nfs/dbraw/zinc/09/45/97/478094597.db2.gz UACFXESGSBHMOK-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451577650 478106535 /nfs/dbraw/zinc/10/65/35/478106535.db2.gz VUZBRLQZUAVFAS-QMTHXVAHSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451577650 478106542 /nfs/dbraw/zinc/10/65/42/478106542.db2.gz VUZBRLQZUAVFAS-QMTHXVAHSA-N 1 2 341.795 2.544 20 5 EFBDLO CCOc1cc(N2CC[NH+](C[C@@H](F)CC)CC2)ccc1[N+](=O)[O-] ZINC000440506157 478125942 /nfs/dbraw/zinc/12/59/42/478125942.db2.gz DEPYLRFEKJNXQB-ZDUSSCGKSA-N 1 2 325.384 2.864 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488313080 478138574 /nfs/dbraw/zinc/13/85/74/478138574.db2.gz AMVBDILTOPNXFF-UHFFFAOYSA-N 1 2 328.328 2.700 20 5 EFBDLO CC(C)CN1C[C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741877 478178085 /nfs/dbraw/zinc/17/80/85/478178085.db2.gz CSDUQBPKHKQTNW-HUUCEWRRSA-N 1 2 346.431 2.734 20 5 EFBDLO CC(C)CN1C[C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741877 478178086 /nfs/dbraw/zinc/17/80/86/478178086.db2.gz CSDUQBPKHKQTNW-HUUCEWRRSA-N 1 2 346.431 2.734 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000562261792 478223369 /nfs/dbraw/zinc/22/33/69/478223369.db2.gz JVHLZUPOKLHNGC-CYBMUJFWSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000562261792 478223374 /nfs/dbraw/zinc/22/33/74/478223374.db2.gz JVHLZUPOKLHNGC-CYBMUJFWSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000536014370 478238007 /nfs/dbraw/zinc/23/80/07/478238007.db2.gz JKKCPLCOZAXMFP-UHFFFAOYSA-N 1 2 347.440 2.853 20 5 EFBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612192 478240178 /nfs/dbraw/zinc/24/01/78/478240178.db2.gz NZEXFHSEYUGFAJ-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612192 478240181 /nfs/dbraw/zinc/24/01/81/478240181.db2.gz NZEXFHSEYUGFAJ-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489475432 478249563 /nfs/dbraw/zinc/24/95/63/478249563.db2.gz SRNXQRMEPHXFEF-RISCZKNCSA-N 1 2 328.796 2.874 20 5 EFBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489475432 478249567 /nfs/dbraw/zinc/24/95/67/478249567.db2.gz SRNXQRMEPHXFEF-RISCZKNCSA-N 1 2 328.796 2.874 20 5 EFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000536552378 478256805 /nfs/dbraw/zinc/25/68/05/478256805.db2.gz 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Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754373 478320877 /nfs/dbraw/zinc/32/08/77/478320877.db2.gz BMUTXTCZVQDMGZ-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754373 478320883 /nfs/dbraw/zinc/32/08/83/478320883.db2.gz BMUTXTCZVQDMGZ-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C2 ZINC000537625795 478321008 /nfs/dbraw/zinc/32/10/08/478321008.db2.gz UZEYGGGCUJLBOZ-UHFFFAOYSA-N 1 2 340.305 2.912 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C2 ZINC000537625795 478321013 /nfs/dbraw/zinc/32/10/13/478321013.db2.gz UZEYGGGCUJLBOZ-UHFFFAOYSA-N 1 2 340.305 2.912 20 5 EFBDLO CNc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000562748735 478341231 /nfs/dbraw/zinc/34/12/31/478341231.db2.gz WJEFOQPLDUPSBW-AWEZNQCLSA-N 1 2 343.387 2.593 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000590872525 478378162 /nfs/dbraw/zinc/37/81/62/478378162.db2.gz RKRUMJHXZMAFNL-GFCCVEGCSA-N 1 2 343.387 2.813 20 5 EFBDLO CC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594507289 478417726 /nfs/dbraw/zinc/41/77/26/478417726.db2.gz CFTDGGLSWIAQOQ-KBPBESRZSA-N 1 2 331.376 2.805 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594511433 478419663 /nfs/dbraw/zinc/41/96/63/478419663.db2.gz NGIKWNUPAMMAOB-RISCZKNCSA-N 1 2 331.376 2.724 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594512634 478419797 /nfs/dbraw/zinc/41/97/97/478419797.db2.gz VESSMZYDSKSFEP-JQVXPOPVSA-N 1 2 343.387 2.758 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594512634 478419804 /nfs/dbraw/zinc/41/98/04/478419804.db2.gz VESSMZYDSKSFEP-JQVXPOPVSA-N 1 2 343.387 2.758 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594511779 478420321 /nfs/dbraw/zinc/42/03/21/478420321.db2.gz OTHNSWQZPPGALF-RISCZKNCSA-N 1 2 331.376 2.724 20 5 EFBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594514458 478421127 /nfs/dbraw/zinc/42/11/27/478421127.db2.gz YFKWYUXQHXDJGZ-DOMZBBRYSA-N 1 2 345.403 2.675 20 5 EFBDLO CC(C)Oc1nc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000594543664 478430972 /nfs/dbraw/zinc/43/09/72/478430972.db2.gz ASIIKXCYNJKGQZ-UHFFFAOYSA-N 1 2 341.371 2.730 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563082300 478443443 /nfs/dbraw/zinc/44/34/43/478443443.db2.gz ZISRLDWGIOPQBL-STQMWFEESA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563082300 478443449 /nfs/dbraw/zinc/44/34/49/478443449.db2.gz ZISRLDWGIOPQBL-STQMWFEESA-N 1 2 333.388 2.565 20 5 EFBDLO CCOC(=O)N1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000496037429 478495955 /nfs/dbraw/zinc/49/59/55/478495955.db2.gz WQPZVXVJGRPVHN-LBPRGKRZSA-N 1 2 330.344 2.786 20 5 EFBDLO O=[N+]([O-])c1ccc(CO)c(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)c1 ZINC000600782573 478519072 /nfs/dbraw/zinc/51/90/72/478519072.db2.gz NNLQNFVDZMBWRR-IRXDYDNUSA-N 1 2 343.383 2.865 20 5 EFBDLO CC1(C)C[C@@H]([NH2+]Cc2nc(C(N)=O)cs2)c2cc([N+](=O)[O-])ccc21 ZINC000595089091 478656881 /nfs/dbraw/zinc/65/68/81/478656881.db2.gz YEWRBNZISFRCSD-GFCCVEGCSA-N 1 2 346.412 2.662 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc(F)c1F)OCCO2 ZINC000601142431 478684941 /nfs/dbraw/zinc/68/49/41/478684941.db2.gz QWMCWGABJUWALX-UHFFFAOYSA-N 1 2 336.294 2.934 20 5 EFBDLO Cc1nnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000542798581 478688956 /nfs/dbraw/zinc/68/89/56/478688956.db2.gz RFSBEEYMZAOTOV-UHFFFAOYSA-N 1 2 342.384 2.554 20 5 EFBDLO Cc1noc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595288946 478715506 /nfs/dbraw/zinc/71/55/06/478715506.db2.gz BXSSQGBZUXRKFT-YVMONPNESA-N 1 2 342.399 2.722 20 5 EFBDLO CCCCCC(=O)NC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595299253 478721386 /nfs/dbraw/zinc/72/13/86/478721386.db2.gz XYMLHOWICHTQDB-UHFFFAOYSA-N 1 2 338.408 2.552 20 5 EFBDLO Cc1noc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595324692 478733160 /nfs/dbraw/zinc/73/31/60/478733160.db2.gz FVVQZZRMZMTOJK-UHFFFAOYSA-N 1 2 341.371 2.768 20 5 EFBDLO CCN(CCSC)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591999664 478740550 /nfs/dbraw/zinc/74/05/50/478740550.db2.gz KDEDSCFYBNSJRR-UHFFFAOYSA-N 1 2 339.461 2.616 20 5 EFBDLO C[C@H]1SCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000592002337 478741178 /nfs/dbraw/zinc/74/11/78/478741178.db2.gz IIQNHIJNFFLBHL-OCCSQVGLSA-N 1 2 337.445 2.733 20 5 EFBDLO Cc1noc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595347555 478741419 /nfs/dbraw/zinc/74/14/19/478741419.db2.gz MQOOHFMDHLROSR-GFCCVEGCSA-N 1 2 339.392 2.835 20 5 EFBDLO Cc1noc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595347555 478741424 /nfs/dbraw/zinc/74/14/24/478741424.db2.gz MQOOHFMDHLROSR-GFCCVEGCSA-N 1 2 339.392 2.835 20 5 EFBDLO C[C@@H]1C[NH+](CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000595358830 478745541 /nfs/dbraw/zinc/74/55/41/478745541.db2.gz YOFORBBTGBESLY-HUUCEWRRSA-N 1 2 333.432 2.668 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601257038 478749894 /nfs/dbraw/zinc/74/98/94/478749894.db2.gz KMQUJOFCSANGHL-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000595417711 478768556 /nfs/dbraw/zinc/76/85/56/478768556.db2.gz YNXSJZZQEZPUNG-GFCCVEGCSA-N 1 2 333.344 2.903 20 5 EFBDLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595420642 478770019 /nfs/dbraw/zinc/77/00/19/478770019.db2.gz PUZXLGYAYAJJDE-OAHLLOKOSA-N 1 2 347.371 2.921 20 5 EFBDLO CCSC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000598338280 478773223 /nfs/dbraw/zinc/77/32/23/478773223.db2.gz XHUGTZHVRGAAEH-UHFFFAOYSA-N 1 2 346.412 2.796 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492068638 478809896 /nfs/dbraw/zinc/80/98/96/478809896.db2.gz ORDVQQYMXMHGMU-DRDHIDPGSA-N 1 2 344.346 2.635 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000595489406 478817371 /nfs/dbraw/zinc/81/73/71/478817371.db2.gz ANNANSWERPEIOY-ZYHUDNBSSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000595489406 478817376 /nfs/dbraw/zinc/81/73/76/478817376.db2.gz ANNANSWERPEIOY-ZYHUDNBSSA-N 1 2 336.285 2.727 20 5 EFBDLO Cc1noc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595497205 478819937 /nfs/dbraw/zinc/81/99/37/478819937.db2.gz MMINWODBLBTMLC-CYBMUJFWSA-N 1 2 325.390 2.802 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194135 478822165 /nfs/dbraw/zinc/82/21/65/478822165.db2.gz OTFMPOLJBOINAM-KBPBESRZSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194135 478822168 /nfs/dbraw/zinc/82/21/68/478822168.db2.gz OTFMPOLJBOINAM-KBPBESRZSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000595543744 478846110 /nfs/dbraw/zinc/84/61/10/478846110.db2.gz KJYMFQKTSRCXBB-QGZVFWFLSA-N 1 2 343.339 2.501 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000595543744 478846115 /nfs/dbraw/zinc/84/61/15/478846115.db2.gz KJYMFQKTSRCXBB-QGZVFWFLSA-N 1 2 343.339 2.501 20 5 EFBDLO COc1c(C)c[nH+]c(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1C ZINC000592350068 478864580 /nfs/dbraw/zinc/86/45/80/478864580.db2.gz RULZSQFJFOVNTQ-UHFFFAOYSA-N 1 2 329.312 2.571 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)Cc1ccccc1 ZINC000595591412 478873332 /nfs/dbraw/zinc/87/33/32/478873332.db2.gz HDFDGJSPEDVNFU-AWEZNQCLSA-N 1 2 336.338 2.908 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)Cc1ccccc1 ZINC000595591412 478873336 /nfs/dbraw/zinc/87/33/36/478873336.db2.gz HDFDGJSPEDVNFU-AWEZNQCLSA-N 1 2 336.338 2.908 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1c[nH+]c[nH]1 ZINC000595595345 478874563 /nfs/dbraw/zinc/87/45/63/478874563.db2.gz URNJNNLVGFHWEZ-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1c[nH]c[nH+]1 ZINC000595595345 478874572 /nfs/dbraw/zinc/87/45/72/478874572.db2.gz URNJNNLVGFHWEZ-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000598617903 478928856 /nfs/dbraw/zinc/92/88/56/478928856.db2.gz IODZPOCHOUMADW-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527534 478933729 /nfs/dbraw/zinc/93/37/29/478933729.db2.gz BQTJVRWNYOASNS-GFCCVEGCSA-N 1 2 334.372 2.509 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527534 478933735 /nfs/dbraw/zinc/93/37/35/478933735.db2.gz BQTJVRWNYOASNS-GFCCVEGCSA-N 1 2 334.372 2.509 20 5 EFBDLO C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000565204190 478949122 /nfs/dbraw/zinc/94/91/22/478949122.db2.gz LMUACXUYDHCUDG-VIFPVBQESA-N 1 2 342.193 2.636 20 5 EFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])c(OC(C)C)n3)cn21 ZINC000565220813 478954269 /nfs/dbraw/zinc/95/42/69/478954269.db2.gz HCANSTZNVMMMIB-UHFFFAOYSA-N 1 2 341.371 2.767 20 5 EFBDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000572972225 478963859 /nfs/dbraw/zinc/96/38/59/478963859.db2.gz SAMKJADQCNJIOI-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000572972225 478963866 /nfs/dbraw/zinc/96/38/66/478963866.db2.gz SAMKJADQCNJIOI-NSHDSACASA-N 1 2 347.375 2.616 20 5 EFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595758177 478980714 /nfs/dbraw/zinc/98/07/14/478980714.db2.gz CSCVYNJGAUGRAL-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595758177 478980719 /nfs/dbraw/zinc/98/07/19/478980719.db2.gz CSCVYNJGAUGRAL-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807484 479010641 /nfs/dbraw/zinc/01/06/41/479010641.db2.gz PNASKENDJDHCPB-CYBMUJFWSA-N 1 2 345.399 2.757 20 5 EFBDLO CCOC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000565579985 479038426 /nfs/dbraw/zinc/03/84/26/479038426.db2.gz MVEUDPFNFCEJFQ-UHFFFAOYSA-N 1 2 341.367 2.725 20 5 EFBDLO CCOC(=O)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000565579985 479038433 /nfs/dbraw/zinc/03/84/33/479038433.db2.gz MVEUDPFNFCEJFQ-UHFFFAOYSA-N 1 2 341.367 2.725 20 5 EFBDLO CC[N@H+](CCOc1ccccc1OC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595888918 479053843 /nfs/dbraw/zinc/05/38/43/479053843.db2.gz VWYBAYUMKGSORY-UHFFFAOYSA-N 1 2 335.360 2.801 20 5 EFBDLO CC[N@@H+](CCOc1ccccc1OC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595888918 479053850 /nfs/dbraw/zinc/05/38/50/479053850.db2.gz VWYBAYUMKGSORY-UHFFFAOYSA-N 1 2 335.360 2.801 20 5 EFBDLO 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5 EFBDLO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602608472 479421459 /nfs/dbraw/zinc/42/14/59/479421459.db2.gz VISUUIRVTMLAPI-YUMQZZPRSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602608472 479421466 /nfs/dbraw/zinc/42/14/66/479421466.db2.gz VISUUIRVTMLAPI-YUMQZZPRSA-N 1 2 335.223 2.622 20 5 EFBDLO CC[C@@]1(O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602623137 479429814 /nfs/dbraw/zinc/42/98/14/479429814.db2.gz DTLPZKLODJDFJD-LLVKDONJSA-N 1 2 335.223 2.766 20 5 EFBDLO CC[C@@]1(O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602623137 479429816 /nfs/dbraw/zinc/42/98/16/479429816.db2.gz DTLPZKLODJDFJD-LLVKDONJSA-N 1 2 335.223 2.766 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626906 479431883 /nfs/dbraw/zinc/43/18/83/479431883.db2.gz AYBTXTRCINBILH-NSHDSACASA-N 1 2 335.223 2.766 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626906 479431890 /nfs/dbraw/zinc/43/18/90/479431890.db2.gz AYBTXTRCINBILH-NSHDSACASA-N 1 2 335.223 2.766 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1CO ZINC000602627784 479434646 /nfs/dbraw/zinc/43/46/46/479434646.db2.gz TYEQLRKYZFSDLZ-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1CO ZINC000602627784 479434653 /nfs/dbraw/zinc/43/46/53/479434653.db2.gz TYEQLRKYZFSDLZ-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000603839035 479436342 /nfs/dbraw/zinc/43/63/42/479436342.db2.gz HZYZIXMPBKCHJS-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1O ZINC000602642702 479443152 /nfs/dbraw/zinc/44/31/52/479443152.db2.gz HDFNBBVILWTNSD-VIFPVBQESA-N 1 2 335.223 2.622 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1O ZINC000602642702 479443160 /nfs/dbraw/zinc/44/31/60/479443160.db2.gz HDFNBBVILWTNSD-VIFPVBQESA-N 1 2 335.223 2.622 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(NCCCCNc3cccc[nH+]3)c2c1 ZINC000611708568 479452815 /nfs/dbraw/zinc/45/28/15/479452815.db2.gz FOYGYNRIUPCAHZ-UHFFFAOYSA-N 1 2 338.371 2.659 20 5 EFBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602665079 479458482 /nfs/dbraw/zinc/45/84/82/479458482.db2.gz YYQYIEAVYVDCGS-JTQLQIEISA-N 1 2 346.227 2.969 20 5 EFBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602665079 479458486 /nfs/dbraw/zinc/45/84/86/479458486.db2.gz YYQYIEAVYVDCGS-JTQLQIEISA-N 1 2 346.227 2.969 20 5 EFBDLO Cc1nnsc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602670667 479464481 /nfs/dbraw/zinc/46/44/81/479464481.db2.gz BUSKZPSIHYYTIE-UHFFFAOYSA-N 1 2 349.235 2.869 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000602688919 479477024 /nfs/dbraw/zinc/47/70/24/479477024.db2.gz SQKINGSHBTWFJG-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599952433 479478542 /nfs/dbraw/zinc/47/85/42/479478542.db2.gz OFVBJIQIKXADRE-UHFFFAOYSA-N 1 2 332.385 2.628 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599952433 479478550 /nfs/dbraw/zinc/47/85/50/479478550.db2.gz OFVBJIQIKXADRE-UHFFFAOYSA-N 1 2 332.385 2.628 20 5 EFBDLO CSc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000604196864 479483795 /nfs/dbraw/zinc/48/37/95/479483795.db2.gz AXZNGUVRHGOFIP-UHFFFAOYSA-N 1 2 334.401 2.723 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596913650 479484464 /nfs/dbraw/zinc/48/44/64/479484464.db2.gz LNJQNEIKJQENIJ-HZPDHXFCSA-N 1 2 342.399 2.869 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000604199464 479485705 /nfs/dbraw/zinc/48/57/05/479485705.db2.gz SOAXEGZGCBDDER-CYBMUJFWSA-N 1 2 348.428 2.869 20 5 EFBDLO Cc1occc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604311203 479498944 /nfs/dbraw/zinc/49/89/44/479498944.db2.gz AWMNLXLXGTZYKR-UHFFFAOYSA-N 1 2 326.312 2.612 20 5 EFBDLO CCn1nncc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602721838 479503639 /nfs/dbraw/zinc/50/36/39/479503639.db2.gz XFFLACUWUVZXOQ-UHFFFAOYSA-N 1 2 329.282 2.515 20 5 EFBDLO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000594020442 479552244 /nfs/dbraw/zinc/55/22/44/479552244.db2.gz IMYJTVXTYNWGQV-UHFFFAOYSA-N 1 2 346.362 2.876 20 5 EFBDLO CCC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OCC ZINC000600173465 479561371 /nfs/dbraw/zinc/56/13/71/479561371.db2.gz CQOFEZXCFDRAOF-AWEZNQCLSA-N 1 2 346.387 2.716 20 5 EFBDLO CCC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OCC ZINC000600173466 479562022 /nfs/dbraw/zinc/56/20/22/479562022.db2.gz CQOFEZXCFDRAOF-CQSZACIVSA-N 1 2 346.387 2.716 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccn1 ZINC000602800092 479562123 /nfs/dbraw/zinc/56/21/23/479562123.db2.gz PUMGMXKRQLCZRN-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccn1 ZINC000602800092 479562133 /nfs/dbraw/zinc/56/21/33/479562133.db2.gz PUMGMXKRQLCZRN-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612132404 479593037 /nfs/dbraw/zinc/59/30/37/479593037.db2.gz HRPRKUAIOBQCMN-OAHLLOKOSA-N 1 2 347.415 2.590 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)s1 ZINC000597249021 479642893 /nfs/dbraw/zinc/64/28/93/479642893.db2.gz FOBWKWPPUZAYPR-UHFFFAOYSA-N 1 2 341.396 3.000 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCc3nn[nH]c3C2)s1 ZINC000597249021 479642900 /nfs/dbraw/zinc/64/29/00/479642900.db2.gz FOBWKWPPUZAYPR-UHFFFAOYSA-N 1 2 341.396 3.000 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)o2)cc1 ZINC000597249426 479643177 /nfs/dbraw/zinc/64/31/77/479643177.db2.gz IPAVGXDWCADLGD-UHFFFAOYSA-N 1 2 325.328 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCc4nn[nH]c4C3)o2)cc1 ZINC000597249426 479643179 /nfs/dbraw/zinc/64/31/79/479643179.db2.gz IPAVGXDWCADLGD-UHFFFAOYSA-N 1 2 325.328 2.531 20 5 EFBDLO CNC(=O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000597250285 479644114 /nfs/dbraw/zinc/64/41/14/479644114.db2.gz VLWLEKYLKZGHIH-UHFFFAOYSA-N 1 2 342.399 2.541 20 5 EFBDLO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000597250285 479644119 /nfs/dbraw/zinc/64/41/19/479644119.db2.gz VLWLEKYLKZGHIH-UHFFFAOYSA-N 1 2 342.399 2.541 20 5 EFBDLO C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612535879 479688240 /nfs/dbraw/zinc/68/82/40/479688240.db2.gz QXQSWTAWBWBGQI-LLVKDONJSA-N 1 2 345.330 2.522 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CCC[C@H]2C1 ZINC000615994590 479803452 /nfs/dbraw/zinc/80/34/52/479803452.db2.gz YLCMTSPQRWKCSG-HOTGVXAUSA-N 1 2 331.416 2.663 20 5 EFBDLO Cn1c2c(cccc2F)[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000619697873 479861765 /nfs/dbraw/zinc/86/17/65/479861765.db2.gz ALTQTZAVNKNRTB-UHFFFAOYSA-N 1 2 344.350 2.659 20 5 EFBDLO Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609553315 480173784 /nfs/dbraw/zinc/17/37/84/480173784.db2.gz NRHYFTNKOLRFHP-CQSZACIVSA-N 1 2 329.360 2.969 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609793151 480205942 /nfs/dbraw/zinc/20/59/42/480205942.db2.gz RJSZZCGZULLJQH-CQSZACIVSA-N 1 2 348.790 2.851 20 5 EFBDLO COC(=O)c1cc(OCc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000609852088 480213234 /nfs/dbraw/zinc/21/32/34/480213234.db2.gz WIDVQXOVIYKGFJ-UHFFFAOYSA-N 1 2 346.339 2.981 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccc(O)cc3C2)c2c(c1)COCO2 ZINC000610002644 480226462 /nfs/dbraw/zinc/22/64/62/480226462.db2.gz BHAWJGNWPRWMFO-UHFFFAOYSA-N 1 2 342.351 2.725 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c2c(c1)COCO2 ZINC000610002644 480226469 /nfs/dbraw/zinc/22/64/69/480226469.db2.gz BHAWJGNWPRWMFO-UHFFFAOYSA-N 1 2 342.351 2.725 20 5 EFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261548 480248218 /nfs/dbraw/zinc/24/82/18/480248218.db2.gz SZTDZVPLFDTEOD-HNNXBMFYSA-N 1 2 340.387 2.714 20 5 EFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261548 480248220 /nfs/dbraw/zinc/24/82/20/480248220.db2.gz SZTDZVPLFDTEOD-HNNXBMFYSA-N 1 2 340.387 2.714 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000610235022 480255484 /nfs/dbraw/zinc/25/54/84/480255484.db2.gz GDGRBUCCQMWYHC-MRXNPFEDSA-N 1 2 346.412 2.846 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])s3)[nH+]c12 ZINC000610435015 480304834 /nfs/dbraw/zinc/30/48/34/480304834.db2.gz VFORSPGUPVKSDY-UHFFFAOYSA-N 1 2 330.369 2.585 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617718579 480333655 /nfs/dbraw/zinc/33/36/55/480333655.db2.gz WZNDKTIMQDUBSP-CJNGLKHVSA-N 1 2 328.372 2.759 20 5 EFBDLO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000618280054 480603444 /nfs/dbraw/zinc/60/34/44/480603444.db2.gz SNMGORFYVNGALR-CQSZACIVSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000618280054 480603452 /nfs/dbraw/zinc/60/34/52/480603452.db2.gz SNMGORFYVNGALR-CQSZACIVSA-N 1 2 340.387 2.813 20 5 EFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000158268918 534708686 /nfs/dbraw/zinc/70/86/86/534708686.db2.gz KQCFNYZFJQIOFG-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119798789 524905437 /nfs/dbraw/zinc/90/54/37/524905437.db2.gz QELJROLCWCGGOY-AWEZNQCLSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119798789 524905449 /nfs/dbraw/zinc/90/54/49/524905449.db2.gz QELJROLCWCGGOY-AWEZNQCLSA-N 1 2 335.404 2.589 20 5 EFBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccn1 ZINC000182535509 525496112 /nfs/dbraw/zinc/49/61/12/525496112.db2.gz LDFSOVLXKATGLM-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO Cc1c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000120138132 525576119 /nfs/dbraw/zinc/57/61/19/525576119.db2.gz WJQLIGSPUGWFAG-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO Cc1c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000120137958 525577975 /nfs/dbraw/zinc/57/79/75/525577975.db2.gz WJQLIGSPUGWFAG-CQSZACIVSA-N 1 2 342.399 2.732 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178682585 525744903 /nfs/dbraw/zinc/74/49/03/525744903.db2.gz WRLZSLAOFNDWHT-BZNIZROVSA-N 1 2 331.347 2.920 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116896848 525841231 /nfs/dbraw/zinc/84/12/31/525841231.db2.gz FIZMGIYCIUNSDH-INIZCTEOSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116896848 525841241 /nfs/dbraw/zinc/84/12/41/525841241.db2.gz FIZMGIYCIUNSDH-INIZCTEOSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116896850 526029187 /nfs/dbraw/zinc/02/91/87/526029187.db2.gz FIZMGIYCIUNSDH-MRXNPFEDSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc([C@H]2COCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116896850 526029196 /nfs/dbraw/zinc/02/91/96/526029196.db2.gz FIZMGIYCIUNSDH-MRXNPFEDSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120537666 526104882 /nfs/dbraw/zinc/10/48/82/526104882.db2.gz PICBCZPBCFTARX-CQSZACIVSA-N 1 2 342.399 2.732 20 5 EFBDLO Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120604204 526124988 /nfs/dbraw/zinc/12/49/88/526124988.db2.gz GNJMIHUIPROTOL-OAHLLOKOSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000119852403 526246004 /nfs/dbraw/zinc/24/60/04/526246004.db2.gz VGXXXWRFCIMLEU-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO CC(C)(C)n1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000174740792 526921355 /nfs/dbraw/zinc/92/13/55/526921355.db2.gz XXBKQBMVXSZHEX-UHFFFAOYSA-N 1 2 343.431 2.869 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000118942131 526928304 /nfs/dbraw/zinc/92/83/04/526928304.db2.gz NCHOJUNHSWSTOY-LLVKDONJSA-N 1 2 346.774 2.652 20 5 EFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000119876998 527444313 /nfs/dbraw/zinc/44/43/13/527444313.db2.gz HTSKNGLWPKHJKG-GFCCVEGCSA-N 1 2 346.362 2.562 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121193690 527617980 /nfs/dbraw/zinc/61/79/80/527617980.db2.gz YMBACZUDLMCWND-ZNNBYXKUSA-N 1 2 339.351 2.683 20 5 EFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121305259 527636652 /nfs/dbraw/zinc/63/66/52/527636652.db2.gz NBIIZGIEKOVUCK-SQRWCISFSA-N 1 2 339.351 2.683 20 5 EFBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152758066 528596387 /nfs/dbraw/zinc/59/63/87/528596387.db2.gz AWYAEFFTCXBYEN-PXAZEXFGSA-N 1 2 343.383 2.871 20 5 EFBDLO CCCc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174243843 528787104 /nfs/dbraw/zinc/78/71/04/528787104.db2.gz INMGVOJPLUPBMC-UHFFFAOYSA-N 1 2 346.387 2.974 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)C1 ZINC000349856981 535214770 /nfs/dbraw/zinc/21/47/70/535214770.db2.gz XCMONSQWLNYCJL-CYBMUJFWSA-N 1 2 336.323 2.566 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)C1 ZINC000349856981 535214775 /nfs/dbraw/zinc/21/47/75/535214775.db2.gz XCMONSQWLNYCJL-CYBMUJFWSA-N 1 2 336.323 2.566 20 5 EFBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000343728946 535257786 /nfs/dbraw/zinc/25/77/86/535257786.db2.gz JUMKGELUZIPHSK-UHFFFAOYSA-N 1 2 334.401 2.996 20 5 EFBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000343728946 535257788 /nfs/dbraw/zinc/25/77/88/535257788.db2.gz JUMKGELUZIPHSK-UHFFFAOYSA-N 1 2 334.401 2.996 20 5 EFBDLO CCc1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000346187868 536035974 /nfs/dbraw/zinc/03/59/74/536035974.db2.gz XPMGQAFSIKIXAZ-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO C[N@H+](CCC(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344452899 536317674 /nfs/dbraw/zinc/31/76/74/536317674.db2.gz UBLXXPBQWPHOOQ-GFCCVEGCSA-N 1 2 331.294 2.584 20 5 EFBDLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344452899 536317677 /nfs/dbraw/zinc/31/76/77/536317677.db2.gz UBLXXPBQWPHOOQ-GFCCVEGCSA-N 1 2 331.294 2.584 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000355668574 536454105 /nfs/dbraw/zinc/45/41/05/536454105.db2.gz ZQGPXZSOEBFBHM-UHFFFAOYSA-N 1 2 329.404 2.561 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000355668574 536454108 /nfs/dbraw/zinc/45/41/08/536454108.db2.gz ZQGPXZSOEBFBHM-UHFFFAOYSA-N 1 2 329.404 2.561 20 5 EFBDLO COc1ccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc1[N+](=O)[O-] ZINC000356131791 536522055 /nfs/dbraw/zinc/52/20/55/536522055.db2.gz UGRCEPSTVPXBJG-UHFFFAOYSA-N 1 2 326.312 2.948 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000191930505 538134649 /nfs/dbraw/zinc/13/46/49/538134649.db2.gz IXRCJKMJYQAOSK-GFCCVEGCSA-N 1 2 346.412 2.748 20 5 EFBDLO O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000575047901 546358218 /nfs/dbraw/zinc/35/82/18/546358218.db2.gz FWUBIGXBSYEXHX-CHWSQXEVSA-N 1 2 332.335 2.791 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000755351685 575577683 /nfs/dbraw/zinc/57/76/83/575577683.db2.gz KECIWOGILWXYOM-MRXNPFEDSA-N 1 2 325.324 2.893 20 5 EFBDLO CN(C)c1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc[nH+]1 ZINC000755883623 575649242 /nfs/dbraw/zinc/64/92/42/575649242.db2.gz DTRDQUCYAZDSBI-UHFFFAOYSA-N 1 2 340.339 2.894 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000757688170 575849726 /nfs/dbraw/zinc/84/97/26/575849726.db2.gz JGJUJUQHFSMBRY-UHFFFAOYSA-N 1 2 346.339 2.819 20 5 EFBDLO Cc1cccn2cc(COC(=O)c3cc([N+](=O)[O-])c(F)cc3N)[nH+]c12 ZINC000758075754 575859427 /nfs/dbraw/zinc/85/94/27/575859427.db2.gz LZTHCMBPXBYYAJ-UHFFFAOYSA-N 1 2 344.302 2.629 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000758474476 575870582 /nfs/dbraw/zinc/87/05/82/575870582.db2.gz RJYWJCLZUGSDLI-CYBMUJFWSA-N 1 2 332.335 2.716 20 5 EFBDLO COc1c(C)c[nH+]c(COC(=O)c2cccc([N+](=O)[O-])c2N)c1C ZINC000758958403 575881268 /nfs/dbraw/zinc/88/12/68/575881268.db2.gz TXJJENICAQYWSC-UHFFFAOYSA-N 1 2 331.328 2.554 20 5 EFBDLO COC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000759877109 575950438 /nfs/dbraw/zinc/95/04/38/575950438.db2.gz VNSCPSFTVFYIQK-UHFFFAOYSA-N 1 2 345.355 2.897 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000761044565 576104103 /nfs/dbraw/zinc/10/41/03/576104103.db2.gz ATJSULWFMOOGAT-LLVKDONJSA-N 1 2 332.278 2.846 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000761044565 576104104 /nfs/dbraw/zinc/10/41/04/576104104.db2.gz ATJSULWFMOOGAT-LLVKDONJSA-N 1 2 332.278 2.846 20 5 EFBDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511711 576172794 /nfs/dbraw/zinc/17/27/94/576172794.db2.gz OODGKGKTXMETCY-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511711 576172796 /nfs/dbraw/zinc/17/27/96/576172796.db2.gz OODGKGKTXMETCY-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000763286268 576371136 /nfs/dbraw/zinc/37/11/36/576371136.db2.gz BGCBTTVRMWDMIC-UHFFFAOYSA-N 1 2 344.371 2.639 20 5 EFBDLO Cc1nn(C[N@@H+](C)Cc2c(C)noc2C)c2ccc([N+](=O)[O-])cc12 ZINC000764890241 576517912 /nfs/dbraw/zinc/51/79/12/576517912.db2.gz IBGUADBPCSQIPI-UHFFFAOYSA-N 1 2 329.360 2.947 20 5 EFBDLO Cc1nn(C[N@H+](C)Cc2c(C)noc2C)c2ccc([N+](=O)[O-])cc12 ZINC000764890241 576517917 /nfs/dbraw/zinc/51/79/17/576517917.db2.gz IBGUADBPCSQIPI-UHFFFAOYSA-N 1 2 329.360 2.947 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000766857431 577185305 /nfs/dbraw/zinc/18/53/05/577185305.db2.gz IIZWJESIQXNYEN-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCCC[C@@H]1CO ZINC000768143297 577257241 /nfs/dbraw/zinc/25/72/41/577257241.db2.gz QYBLIWRDYSPGTN-SNVBAGLBSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1CO ZINC000768143297 577257242 /nfs/dbraw/zinc/25/72/42/577257242.db2.gz QYBLIWRDYSPGTN-SNVBAGLBSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000768151847 577258010 /nfs/dbraw/zinc/25/80/10/577258010.db2.gz PEPXJTLCVHEGQT-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000768151847 577258013 /nfs/dbraw/zinc/25/80/13/577258013.db2.gz PEPXJTLCVHEGQT-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000768525357 577280560 /nfs/dbraw/zinc/28/05/60/577280560.db2.gz BHHPLFPENVUBIH-UHFFFAOYSA-N 1 2 328.368 2.784 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(O)cc1 ZINC000768544912 577282401 /nfs/dbraw/zinc/28/24/01/577282401.db2.gz UGINXRLONSTUON-UHFFFAOYSA-N 1 2 341.367 2.904 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(O)cc1 ZINC000768544912 577282403 /nfs/dbraw/zinc/28/24/03/577282403.db2.gz UGINXRLONSTUON-UHFFFAOYSA-N 1 2 341.367 2.904 20 5 EFBDLO COC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000768930876 577317560 /nfs/dbraw/zinc/31/75/60/577317560.db2.gz DRLWIPJJOUWTKD-UHFFFAOYSA-N 1 2 345.355 2.739 20 5 EFBDLO C[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769319142 577351810 /nfs/dbraw/zinc/35/18/10/577351810.db2.gz RQKIAFYZBXENDB-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769319142 577351811 /nfs/dbraw/zinc/35/18/11/577351811.db2.gz RQKIAFYZBXENDB-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000771937320 581261882 /nfs/dbraw/zinc/26/18/82/581261882.db2.gz MNTKAAFSMUKFSU-UHFFFAOYSA-N 1 2 344.352 2.772 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000772012970 581271196 /nfs/dbraw/zinc/27/11/96/581271196.db2.gz MLERTJMURAAIQE-UHFFFAOYSA-N 1 2 329.234 2.667 20 5 EFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000773241453 581408921 /nfs/dbraw/zinc/40/89/21/581408921.db2.gz LEPILCHTILYXFI-UHFFFAOYSA-N 1 2 333.319 2.753 20 5 EFBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000773984283 581476891 /nfs/dbraw/zinc/47/68/91/581476891.db2.gz CDIYEKYVCDUAMJ-UHFFFAOYSA-N 1 2 349.350 2.687 20 5 EFBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnc(-n3cc[nH+]c3)c1)CC2 ZINC000773986468 581477029 /nfs/dbraw/zinc/47/70/29/581477029.db2.gz ZJKZBOHHDCWNFB-UHFFFAOYSA-N 1 2 349.350 2.687 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1[N+](=O)[O-] ZINC000822229619 606485038 /nfs/dbraw/zinc/48/50/38/606485038.db2.gz YCBJNFHROOOFOU-SNVBAGLBSA-N 1 2 328.332 2.527 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1[N+](=O)[O-] ZINC000822229618 606485242 /nfs/dbraw/zinc/48/52/42/606485242.db2.gz YCBJNFHROOOFOU-JTQLQIEISA-N 1 2 328.332 2.527 20 5 EFBDLO C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000691312951 1256093667 /nfs/dbraw/zinc/09/36/67/1256093667.db2.gz MPYFIGJCVKKASM-VIFPVBQESA-N 1 2 329.194 2.703 20 5 EFBDLO C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000691312951 1256093672 /nfs/dbraw/zinc/09/36/72/1256093672.db2.gz MPYFIGJCVKKASM-VIFPVBQESA-N 1 2 329.194 2.703 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729929678 1264114644 /nfs/dbraw/zinc/11/46/44/1264114644.db2.gz LHECXNAUYNAGQW-GFCCVEGCSA-N 1 2 334.763 2.922 20 5 EFBDLO CCN(CC)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733325892 1265169657 /nfs/dbraw/zinc/16/96/57/1265169657.db2.gz WSUAMACHARYTEX-UHFFFAOYSA-N 1 2 348.428 2.676 20 5 EFBDLO CC[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@@H](C)C(C)C ZINC000132730758 1267703768 /nfs/dbraw/zinc/70/37/68/1267703768.db2.gz XFRHEUAARMZMGQ-LBPRGKRZSA-N 1 2 334.376 2.735 20 5 EFBDLO CC[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@@H](C)C(C)C ZINC000132730758 1267703776 /nfs/dbraw/zinc/70/37/76/1267703776.db2.gz XFRHEUAARMZMGQ-LBPRGKRZSA-N 1 2 334.376 2.735 20 5 EFBDLO CC(C)[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738239144 1268429990 /nfs/dbraw/zinc/42/99/90/1268429990.db2.gz IQJAODDZYPTXSQ-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738239144 1268429993 /nfs/dbraw/zinc/42/99/93/1268429993.db2.gz IQJAODDZYPTXSQ-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO Cc1c(C(=O)Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741969801 1269785366 /nfs/dbraw/zinc/78/53/66/1269785366.db2.gz LJGYVIIVDSILIC-UHFFFAOYSA-N 1 2 341.283 2.711 20 5 EFBDLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000701699109 1270593956 /nfs/dbraw/zinc/59/39/56/1270593956.db2.gz HJVZJGFYOQHJTB-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000701699109 1270593962 /nfs/dbraw/zinc/59/39/62/1270593962.db2.gz HJVZJGFYOQHJTB-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CC(C)C[C@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000744437323 1271045973 /nfs/dbraw/zinc/04/59/73/1271045973.db2.gz PDLXZURVZRNKCF-SNVBAGLBSA-N 1 2 331.214 2.879 20 5 EFBDLO CC(C)C[C@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000744437323 1271045980 /nfs/dbraw/zinc/04/59/80/1271045980.db2.gz PDLXZURVZRNKCF-SNVBAGLBSA-N 1 2 331.214 2.879 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000843872503 1278620416 /nfs/dbraw/zinc/62/04/16/1278620416.db2.gz NDJJXIJATBMUQD-CYBMUJFWSA-N 1 2 345.330 2.731 20 5 EFBDLO O=[N+]([O-])c1ccnc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001212579563 1272176304 /nfs/dbraw/zinc/17/63/04/1272176304.db2.gz OYJXIYHYIZEYGL-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1c2nsnc2ccc1NCCc1cn2ccccc2[nH+]1 ZINC001169003236 1272579088 /nfs/dbraw/zinc/57/90/88/1272579088.db2.gz AQJBOLPIYNHVON-UHFFFAOYSA-N 1 2 340.368 2.902 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035259 1272599849 /nfs/dbraw/zinc/59/98/49/1272599849.db2.gz JUCMIWJXTAKCRL-JOYOIKCWSA-N 1 2 326.194 2.605 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035259 1272599857 /nfs/dbraw/zinc/59/98/57/1272599857.db2.gz JUCMIWJXTAKCRL-JOYOIKCWSA-N 1 2 326.194 2.605 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C1 ZINC001169056346 1272632283 /nfs/dbraw/zinc/63/22/83/1272632283.db2.gz SAADWIQIJNGEJE-RBSFLKMASA-N 1 2 331.407 2.627 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C1 ZINC001169056343 1272633124 /nfs/dbraw/zinc/63/31/24/1272633124.db2.gz SAADWIQIJNGEJE-ILXRZTDVSA-N 1 2 331.407 2.627 20 5 EFBDLO C[N@@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898690 1272852731 /nfs/dbraw/zinc/85/27/31/1272852731.db2.gz IFLJUTYUZNUQIN-VIFPVBQESA-N 1 2 333.157 2.969 20 5 EFBDLO C[N@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898690 1272852740 /nfs/dbraw/zinc/85/27/40/1272852740.db2.gz IFLJUTYUZNUQIN-VIFPVBQESA-N 1 2 333.157 2.969 20 5 EFBDLO Cc1cn(C[N@H+]2CCC[C@@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103263519 1272968368 /nfs/dbraw/zinc/96/83/68/1272968368.db2.gz VQCKYCMASOMPSS-CYBMUJFWSA-N 1 2 330.388 2.545 20 5 EFBDLO Cc1cn(C[N@@H+]2CCC[C@@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103263519 1272968374 /nfs/dbraw/zinc/96/83/74/1272968374.db2.gz VQCKYCMASOMPSS-CYBMUJFWSA-N 1 2 330.388 2.545 20 5 EFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000804329438 1273003859 /nfs/dbraw/zinc/00/38/59/1273003859.db2.gz JPNITIFNGFUFFK-UHFFFAOYSA-N 1 2 348.384 2.887 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3cc(F)ccc3[N+](=O)[O-])[nH+]c12 ZINC000746541030 1275064403 /nfs/dbraw/zinc/06/44/03/1275064403.db2.gz VIGWTDFNJBDTHO-UHFFFAOYSA-N 1 2 342.330 2.663 20 5 EFBDLO Cc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000785675164 1275142929 /nfs/dbraw/zinc/14/29/29/1275142929.db2.gz CSQLZFBPHJKXDW-UHFFFAOYSA-N 1 2 338.323 2.841 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457214 1278996488 /nfs/dbraw/zinc/99/64/88/1278996488.db2.gz YNJKQIWIEGQVJJ-KPXOXKRLSA-N 1 2 336.298 2.903 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457214 1278996489 /nfs/dbraw/zinc/99/64/89/1278996489.db2.gz YNJKQIWIEGQVJJ-KPXOXKRLSA-N 1 2 336.298 2.903 20 5 EFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355521 1279035284 /nfs/dbraw/zinc/03/52/84/1279035284.db2.gz IKAKQVNUMHWIPD-NSHDSACASA-N 1 2 331.372 2.889 20 5 EFBDLO COc1ccc(C[C@H](C)[N@H+]2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355521 1279035296 /nfs/dbraw/zinc/03/52/96/1279035296.db2.gz IKAKQVNUMHWIPD-NSHDSACASA-N 1 2 331.372 2.889 20 5 EFBDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819410131 1276754236 /nfs/dbraw/zinc/75/42/36/1276754236.db2.gz XLIHDXSIDNCXKG-MRXNPFEDSA-N 1 2 345.399 2.821 20 5 EFBDLO CC1(C)C[N@H+](CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000820644471 1277261743 /nfs/dbraw/zinc/26/17/43/1277261743.db2.gz BTPCYGWKKKVIBJ-UHFFFAOYSA-N 1 2 331.775 2.910 20 5 EFBDLO CC1(C)C[N@@H+](CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000820644471 1277261754 /nfs/dbraw/zinc/26/17/54/1277261754.db2.gz BTPCYGWKKKVIBJ-UHFFFAOYSA-N 1 2 331.775 2.910 20 5 EFBDLO COc1cc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC000820599698 1277263149 /nfs/dbraw/zinc/26/31/49/1277263149.db2.gz YOGKXCPFMDKMKJ-UHFFFAOYSA-N 1 2 328.372 2.633 20 5 EFBDLO COc1cc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])cc1C ZINC000820604250 1277264686 /nfs/dbraw/zinc/26/46/86/1277264686.db2.gz FSXFQFZCZMKPAJ-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO Cc1[nH]nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1Cl ZINC000790975685 1277907050 /nfs/dbraw/zinc/90/70/50/1277907050.db2.gz OBBOWBQNBNOQHI-UHFFFAOYSA-N 1 2 346.734 2.718 20 5 EFBDLO Cc1c(CNc2ccc[nH+]c2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000871862475 1287327641 /nfs/dbraw/zinc/32/76/41/1287327641.db2.gz FAALSHRZUHOMAC-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000792727912 1279146877 /nfs/dbraw/zinc/14/68/77/1279146877.db2.gz VWGVZEGTCKXSJG-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000792727912 1279146880 /nfs/dbraw/zinc/14/68/80/1279146880.db2.gz VWGVZEGTCKXSJG-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844725486 1279201708 /nfs/dbraw/zinc/20/17/08/1279201708.db2.gz NKKDLMGKOUDYCY-UHFFFAOYSA-N 1 2 339.298 2.581 20 5 EFBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000793251108 1279476523 /nfs/dbraw/zinc/47/65/23/1279476523.db2.gz OIWLUZLYOLKIMH-UHFFFAOYSA-N 1 2 343.261 2.747 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845545661 1279715433 /nfs/dbraw/zinc/71/54/33/1279715433.db2.gz YZTASWBMPLJMNZ-WDEREUQCSA-N 1 2 343.786 2.687 20 5 EFBDLO CSC[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000793790746 1279870101 /nfs/dbraw/zinc/87/01/01/1279870101.db2.gz KRBUPXPFTDJIQD-LLVKDONJSA-N 1 2 337.401 2.535 20 5 EFBDLO CSC[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000793790746 1279870108 /nfs/dbraw/zinc/87/01/08/1279870108.db2.gz KRBUPXPFTDJIQD-LLVKDONJSA-N 1 2 337.401 2.535 20 5 EFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000804571977 1280290966 /nfs/dbraw/zinc/29/09/66/1280290966.db2.gz QSPXAGPJPQZJRF-NSHDSACASA-N 1 2 329.316 2.589 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805825704 1280803457 /nfs/dbraw/zinc/80/34/57/1280803457.db2.gz CNYPTKBLEQDJOX-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805825704 1280803466 /nfs/dbraw/zinc/80/34/66/1280803466.db2.gz CNYPTKBLEQDJOX-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO CO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234818535 1281272738 /nfs/dbraw/zinc/27/27/38/1281272738.db2.gz WLKALBFUBFOADB-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234818535 1281272747 /nfs/dbraw/zinc/27/27/47/1281272747.db2.gz WLKALBFUBFOADB-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000747529749 1281908828 /nfs/dbraw/zinc/90/88/28/1281908828.db2.gz YLVNTBBLDYHSKG-UHFFFAOYSA-N 1 2 343.383 2.724 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000747529749 1281908837 /nfs/dbraw/zinc/90/88/37/1281908837.db2.gz YLVNTBBLDYHSKG-UHFFFAOYSA-N 1 2 343.383 2.724 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809700758 1282389358 /nfs/dbraw/zinc/38/93/58/1282389358.db2.gz NMPKQHQAQCYRMV-OCCSQVGLSA-N 1 2 339.823 2.543 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809779765 1282479078 /nfs/dbraw/zinc/47/90/78/1282479078.db2.gz ZAQFGSZXUZZBSQ-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809779765 1282479082 /nfs/dbraw/zinc/47/90/82/1282479082.db2.gz ZAQFGSZXUZZBSQ-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782934 1284597943 /nfs/dbraw/zinc/59/79/43/1284597943.db2.gz MPKMQBOPLPASFW-QGZVFWFLSA-N 1 2 328.372 2.527 20 5 EFBDLO Cc1nn(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782934 1284597953 /nfs/dbraw/zinc/59/79/53/1284597953.db2.gz MPKMQBOPLPASFW-QGZVFWFLSA-N 1 2 328.372 2.527 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCNc2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC001094291441 1284930276 /nfs/dbraw/zinc/93/02/76/1284930276.db2.gz FSIPSCGANJUDFY-UHFFFAOYSA-N 1 2 346.362 2.896 20 5 EFBDLO COc1ccc(CC(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000747826022 1285508940 /nfs/dbraw/zinc/50/89/40/1285508940.db2.gz TWHSTQRQJIFHAL-UHFFFAOYSA-N 1 2 333.319 2.984 20 5 EFBDLO CSC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000813172992 1285703382 /nfs/dbraw/zinc/70/33/82/1285703382.db2.gz QGCCROOKLYPPSC-AWEZNQCLSA-N 1 2 336.413 2.608 20 5 EFBDLO CSC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000813172992 1285703386 /nfs/dbraw/zinc/70/33/86/1285703386.db2.gz QGCCROOKLYPPSC-AWEZNQCLSA-N 1 2 336.413 2.608 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813470113 1285937712 /nfs/dbraw/zinc/93/77/12/1285937712.db2.gz XAUBVSFCSKDFAH-UHFFFAOYSA-N 1 2 329.143 2.863 20 5 EFBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173210778 1286485895 /nfs/dbraw/zinc/48/58/95/1286485895.db2.gz NAOHCOHSSSLFGT-KDOFPFPSSA-N 1 2 342.395 2.900 20 5 EFBDLO O=C(OCCC1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000814469508 1286667465 /nfs/dbraw/zinc/66/74/65/1286667465.db2.gz MBVGLGSDBPHABD-UHFFFAOYSA-N 1 2 345.355 2.754 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816845561 1288300565 /nfs/dbraw/zinc/30/05/65/1288300565.db2.gz UXWWUENWHGSCNP-NSHDSACASA-N 1 2 348.790 2.666 20 5 EFBDLO Nc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000817377478 1288567247 /nfs/dbraw/zinc/56/72/47/1288567247.db2.gz WJFHHILKIYPQMS-UHFFFAOYSA-N 1 2 343.383 2.588 20 5 EFBDLO C[C@H](C(=O)Nc1cc2nc3ccccc3nc2cc1N)n1cc[nH+]c1 ZINC001177925236 1288595228 /nfs/dbraw/zinc/59/52/28/1288595228.db2.gz CTWTUGMRMNRQAM-LLVKDONJSA-N 1 2 332.367 2.761 20 5 EFBDLO C[N@@H+]1CCCC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001178697045 1288875926 /nfs/dbraw/zinc/87/59/26/1288875926.db2.gz ADEIKUWJCKMNPP-SFHVURJKSA-N 1 2 335.407 2.813 20 5 EFBDLO C[N@H+]1CCCC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001178697045 1288875928 /nfs/dbraw/zinc/87/59/28/1288875928.db2.gz ADEIKUWJCKMNPP-SFHVURJKSA-N 1 2 335.407 2.813 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824615326 1289727832 /nfs/dbraw/zinc/72/78/32/1289727832.db2.gz DPPZQWSLKJMFJN-LBPRGKRZSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824615326 1289727839 /nfs/dbraw/zinc/72/78/39/1289727839.db2.gz DPPZQWSLKJMFJN-LBPRGKRZSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000824616692 1289727885 /nfs/dbraw/zinc/72/78/85/1289727885.db2.gz ZXAWWQVNCSHBIW-CYBMUJFWSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000824616692 1289727898 /nfs/dbraw/zinc/72/78/98/1289727898.db2.gz ZXAWWQVNCSHBIW-CYBMUJFWSA-N 1 2 341.795 2.911 20 5 EFBDLO Nc1cc(CC(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc[nH+]1 ZINC001181264309 1289759468 /nfs/dbraw/zinc/75/94/68/1289759468.db2.gz XPNLRKGDMPJXPZ-UHFFFAOYSA-N 1 2 344.374 2.549 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000873538705 1289905575 /nfs/dbraw/zinc/90/55/75/1289905575.db2.gz CJOJKLNWNUNOSW-UHFFFAOYSA-N 1 2 341.367 2.900 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000124834245 1290205968 /nfs/dbraw/zinc/20/59/68/1290205968.db2.gz KDMBJHNOIFLXFX-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO CC(C)[N@@H+]1CC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001182862342 1290262983 /nfs/dbraw/zinc/26/29/83/1290262983.db2.gz XYHXQMJEMRVJAD-SFHVURJKSA-N 1 2 335.407 2.811 20 5 EFBDLO CC(C)[N@H+]1CC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001182862342 1290262993 /nfs/dbraw/zinc/26/29/93/1290262993.db2.gz XYHXQMJEMRVJAD-SFHVURJKSA-N 1 2 335.407 2.811 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CCCC2)CC1=O ZINC000795644301 1290798294 /nfs/dbraw/zinc/79/82/94/1290798294.db2.gz MJNDYYWVQHNATO-UHFFFAOYSA-N 1 2 331.416 2.819 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(CCCC2)CC1=O ZINC000795644301 1290798301 /nfs/dbraw/zinc/79/83/01/1290798301.db2.gz MJNDYYWVQHNATO-UHFFFAOYSA-N 1 2 331.416 2.819 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000876727078 1290991906 /nfs/dbraw/zinc/99/19/06/1290991906.db2.gz DNVALXBCBYDKSO-UHFFFAOYSA-N 1 2 327.384 2.699 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000876727078 1290991910 /nfs/dbraw/zinc/99/19/10/1290991910.db2.gz DNVALXBCBYDKSO-UHFFFAOYSA-N 1 2 327.384 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000775180179 1291427353 /nfs/dbraw/zinc/42/73/53/1291427353.db2.gz WCKSOPQCWUJWRQ-UHFFFAOYSA-N 1 2 327.300 2.669 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccnc1Cl ZINC000796110171 1291980136 /nfs/dbraw/zinc/98/01/36/1291980136.db2.gz APTUWEVXYSFZGB-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccnc1Cl ZINC000796110171 1291980139 /nfs/dbraw/zinc/98/01/39/1291980139.db2.gz APTUWEVXYSFZGB-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796162850 1292166915 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2.838 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000102765972 1294451019 /nfs/dbraw/zinc/45/10/19/1294451019.db2.gz CQYVJIXIEVAYIR-UHFFFAOYSA-N 1 2 333.369 2.962 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000102765972 1294451022 /nfs/dbraw/zinc/45/10/22/1294451022.db2.gz CQYVJIXIEVAYIR-UHFFFAOYSA-N 1 2 333.369 2.962 20 5 EFBDLO COc1cc(C)c(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC ZINC000885932985 1294568586 /nfs/dbraw/zinc/56/85/86/1294568586.db2.gz GFRPBJXRNOQLHN-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO COc1cc(C)c(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC ZINC000885932985 1294568593 /nfs/dbraw/zinc/56/85/93/1294568593.db2.gz GFRPBJXRNOQLHN-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO CCN1C[C@@H](C[N@H+](C)Cc2cccnc2[N+](=O)[O-])Oc2ccccc21 ZINC000885940377 1294576112 /nfs/dbraw/zinc/57/61/12/1294576112.db2.gz HSMLOTWISBIZQW-OAHLLOKOSA-N 1 2 342.399 2.709 20 5 EFBDLO CCN1C[C@@H](C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])Oc2ccccc21 ZINC000885940377 1294576124 /nfs/dbraw/zinc/57/61/24/1294576124.db2.gz HSMLOTWISBIZQW-OAHLLOKOSA-N 1 2 342.399 2.709 20 5 EFBDLO COc1cc(C[N@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)ccc1O ZINC000886092427 1294671452 /nfs/dbraw/zinc/67/14/52/1294671452.db2.gz WLMKTMCQRDZXPQ-UHFFFAOYSA-N 1 2 329.356 2.869 20 5 EFBDLO COc1cc(C[N@@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)ccc1O ZINC000886092427 1294671460 /nfs/dbraw/zinc/67/14/60/1294671460.db2.gz WLMKTMCQRDZXPQ-UHFFFAOYSA-N 1 2 329.356 2.869 20 5 EFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886216063 1294769311 /nfs/dbraw/zinc/76/93/11/1294769311.db2.gz WEBKMCANGWLWRX-CYBMUJFWSA-N 1 2 330.363 2.840 20 5 EFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886216063 1294769320 /nfs/dbraw/zinc/76/93/20/1294769320.db2.gz WEBKMCANGWLWRX-CYBMUJFWSA-N 1 2 330.363 2.840 20 5 EFBDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000886439544 1294969346 /nfs/dbraw/zinc/96/93/46/1294969346.db2.gz ZTVGIZIFMLSBQL-QGZVFWFLSA-N 1 2 340.383 2.945 20 5 EFBDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000886439544 1294969358 /nfs/dbraw/zinc/96/93/58/1294969358.db2.gz ZTVGIZIFMLSBQL-QGZVFWFLSA-N 1 2 340.383 2.945 20 5 EFBDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743981 1313187572 /nfs/dbraw/zinc/18/75/72/1313187572.db2.gz IGDAUEDRYFJICI-CYBMUJFWSA-N 1 2 341.363 2.830 20 5 EFBDLO C[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743981 1313187577 /nfs/dbraw/zinc/18/75/77/1313187577.db2.gz IGDAUEDRYFJICI-CYBMUJFWSA-N 1 2 341.363 2.830 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852038496 1299519744 /nfs/dbraw/zinc/51/97/44/1299519744.db2.gz DSMVMHKKYRWITF-CQSZACIVSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852038496 1299519754 /nfs/dbraw/zinc/51/97/54/1299519754.db2.gz DSMVMHKKYRWITF-CQSZACIVSA-N 1 2 339.367 2.835 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776580337 1299626571 /nfs/dbraw/zinc/62/65/71/1299626571.db2.gz WYKADBPUNPQBIH-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776580337 1299626579 /nfs/dbraw/zinc/62/65/79/1299626579.db2.gz WYKADBPUNPQBIH-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000776587491 1299666164 /nfs/dbraw/zinc/66/61/64/1299666164.db2.gz IKCAJROBFOADIM-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000776587491 1299666173 /nfs/dbraw/zinc/66/61/73/1299666173.db2.gz IKCAJROBFOADIM-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO COc1cc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])cc1C ZINC000853104404 1300008178 /nfs/dbraw/zinc/00/81/78/1300008178.db2.gz UZLMQQOWXYZLEL-UHFFFAOYSA-N 1 2 331.372 2.827 20 5 EFBDLO CCn1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853509420 1300142397 /nfs/dbraw/zinc/14/23/97/1300142397.db2.gz ZJXSPRIJPQPELO-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO CCn1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c1 ZINC000853509420 1300142400 /nfs/dbraw/zinc/14/24/00/1300142400.db2.gz ZJXSPRIJPQPELO-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776855402 1301200159 /nfs/dbraw/zinc/20/01/59/1301200159.db2.gz IWQGSZHASGDGPS-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776855402 1301200164 /nfs/dbraw/zinc/20/01/64/1301200164.db2.gz IWQGSZHASGDGPS-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO O=[N+]([O-])c1cccc(CN2CCc3[nH+]c[nH]c3C2)c1Br ZINC000859306231 1301425138 /nfs/dbraw/zinc/42/51/38/1301425138.db2.gz SZQHEUGARIPKPY-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO CCc1nocc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860781112 1301919189 /nfs/dbraw/zinc/91/91/89/1301919189.db2.gz 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CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000122261883 1304425838 /nfs/dbraw/zinc/42/58/38/1304425838.db2.gz XIHZNQKFKZTSAB-GFCCVEGCSA-N 1 2 346.836 2.647 20 5 EFBDLO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000122261883 1304425846 /nfs/dbraw/zinc/42/58/46/1304425846.db2.gz XIHZNQKFKZTSAB-GFCCVEGCSA-N 1 2 346.836 2.647 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796601742 1306717289 /nfs/dbraw/zinc/71/72/89/1306717289.db2.gz NTJWHLNAZBNVIN-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796601742 1306717296 /nfs/dbraw/zinc/71/72/96/1306717296.db2.gz NTJWHLNAZBNVIN-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900695715 1308543946 /nfs/dbraw/zinc/54/39/46/1308543946.db2.gz NYLAHLMGPLBYSQ-UHFFFAOYSA-N 1 2 340.742 2.794 20 5 EFBDLO COc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC001210137849 1314286503 /nfs/dbraw/zinc/28/65/03/1314286503.db2.gz HZLITUXVKVPBMI-UHFFFAOYSA-N 1 2 325.328 2.987 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1F ZINC000801522159 1310451359 /nfs/dbraw/zinc/45/13/59/1310451359.db2.gz XZKDRFHLHRKRDE-CYBMUJFWSA-N 1 2 336.285 2.869 20 5 EFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c2)[nH+]c1C ZINC000749736502 1311039781 /nfs/dbraw/zinc/03/97/81/1311039781.db2.gz MOJAAZDIOCTQCM-UHFFFAOYSA-N 1 2 340.343 2.886 20 5 EFBDLO O=[N+]([O-])c1c(F)cccc1N1CCC(OCCn2cc[nH+]c2)CC1 ZINC001222139925 1311090488 /nfs/dbraw/zinc/09/04/88/1311090488.db2.gz YFKPTJBJPXNMHX-UHFFFAOYSA-N 1 2 334.351 2.616 20 5 EFBDLO CCOC(=[NH2+])CCCCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224966892 1311457356 /nfs/dbraw/zinc/45/73/56/1311457356.db2.gz UIQUWEJISGLCOY-AWEZNQCLSA-N 1 2 336.392 2.769 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225606310 1311552430 /nfs/dbraw/zinc/55/24/30/1311552430.db2.gz MDWKPQOXDXBPFC-GFCCVEGCSA-N 1 2 327.178 2.830 20 5 EFBDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621049 1311555126 /nfs/dbraw/zinc/55/51/26/1311555126.db2.gz ZZCLCYPXIGNMCM-QWHCGFSZSA-N 1 2 329.356 2.910 20 5 EFBDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621049 1311555130 /nfs/dbraw/zinc/55/51/30/1311555130.db2.gz ZZCLCYPXIGNMCM-QWHCGFSZSA-N 1 2 329.356 2.910 20 5 EFBDLO O=[N+]([O-])c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1Br ZINC001225758478 1311573444 /nfs/dbraw/zinc/57/34/44/1311573444.db2.gz IMQKRLPVTBJQER-GFCCVEGCSA-N 1 2 327.178 2.830 20 5 EFBDLO C[C@@H](Oc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226710747 1311711467 /nfs/dbraw/zinc/71/14/67/1311711467.db2.gz UNTUZMVTOZZSGN-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226710747 1311711469 /nfs/dbraw/zinc/71/14/69/1311711469.db2.gz UNTUZMVTOZZSGN-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226964037 1311747120 /nfs/dbraw/zinc/74/71/20/1311747120.db2.gz JWSJXHNHSNKRGQ-SNVBAGLBSA-N 1 2 334.294 2.713 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226964036 1311747243 /nfs/dbraw/zinc/74/72/43/1311747243.db2.gz JWSJXHNHSNKRGQ-JTQLQIEISA-N 1 2 334.294 2.713 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)ccn1 ZINC001213024815 1311748855 /nfs/dbraw/zinc/74/88/55/1311748855.db2.gz QGFMVUAFBKUNFV-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227222973 1311779279 /nfs/dbraw/zinc/77/92/79/1311779279.db2.gz YQQKFNMLDBYOBI-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227222973 1311779282 /nfs/dbraw/zinc/77/92/82/1311779282.db2.gz YQQKFNMLDBYOBI-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO C[C@@H](Oc1cncc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227988094 1311885013 /nfs/dbraw/zinc/88/50/13/1311885013.db2.gz NYOGMQZMWJKVSQ-KDOFPFPSSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1cncc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227988094 1311885016 /nfs/dbraw/zinc/88/50/16/1311885016.db2.gz NYOGMQZMWJKVSQ-KDOFPFPSSA-N 1 2 343.383 2.658 20 5 EFBDLO COc1cc(C)nc(NCc2c[nH+]cn2CC2CCC2)c1[N+](=O)[O-] ZINC001161531098 1311908733 /nfs/dbraw/zinc/90/87/33/1311908733.db2.gz IIVUFBNYFZZEDZ-UHFFFAOYSA-N 1 2 331.376 2.916 20 5 EFBDLO CC(C)[N@@H+]1CC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228860299 1312010904 /nfs/dbraw/zinc/01/09/04/1312010904.db2.gz SRGKHRJIGQPLGY-MRVPVSSYSA-N 1 2 335.282 2.576 20 5 EFBDLO CC(C)[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228860299 1312010908 /nfs/dbraw/zinc/01/09/08/1312010908.db2.gz SRGKHRJIGQPLGY-MRVPVSSYSA-N 1 2 335.282 2.576 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCCCc2[nH+]ccn2C)c1 ZINC000802787316 1312023836 /nfs/dbraw/zinc/02/38/36/1312023836.db2.gz CBWHONROYXYSLE-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO Cc1c(Br)ccc(OCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000902899747 1312193801 /nfs/dbraw/zinc/19/38/01/1312193801.db2.gz FCELXEFSQCFZFF-UHFFFAOYSA-N 1 2 326.150 2.978 20 5 EFBDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001162877495 1312195186 /nfs/dbraw/zinc/19/51/86/1312195186.db2.gz HFDNOOOVBUTHBJ-ZDUSSCGKSA-N 1 2 342.827 2.802 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903066068 1312321050 /nfs/dbraw/zinc/32/10/50/1312321050.db2.gz SXKSBYAZIXTVSL-NHYWBVRUSA-N 1 2 333.392 2.780 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230932470 1312395794 /nfs/dbraw/zinc/39/57/94/1312395794.db2.gz SIDCHXCOCGJWQG-GFCCVEGCSA-N 1 2 345.168 2.969 20 5 EFBDLO Cc1c(Br)c(O[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092058 1312428478 /nfs/dbraw/zinc/42/84/78/1312428478.db2.gz AQEOIXBUUQCPTL-SECBINFHSA-N 1 2 330.182 2.534 20 5 EFBDLO Cc1c(Br)c(O[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092058 1312428480 /nfs/dbraw/zinc/42/84/80/1312428480.db2.gz AQEOIXBUUQCPTL-SECBINFHSA-N 1 2 330.182 2.534 20 5 EFBDLO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[NH2+]CC(F)(F)C3)ccc21 ZINC001164492877 1312525832 /nfs/dbraw/zinc/52/58/32/1312525832.db2.gz JFGVFIGCSODISP-UHFFFAOYSA-N 1 2 342.733 2.841 20 5 EFBDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219480 1312651727 /nfs/dbraw/zinc/65/17/27/1312651727.db2.gz URPNXXZEFSMOON-IBGZPJMESA-N 1 2 339.370 2.870 20 5 EFBDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219480 1312651730 /nfs/dbraw/zinc/65/17/30/1312651730.db2.gz URPNXXZEFSMOON-IBGZPJMESA-N 1 2 339.370 2.870 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005368 1315131515 /nfs/dbraw/zinc/13/15/15/1315131515.db2.gz FCLPGTPBJALFPW-SNVBAGLBSA-N 1 2 326.221 2.990 20 5 EFBDLO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1Br ZINC001218008465 1315132728 /nfs/dbraw/zinc/13/27/28/1315132728.db2.gz YJNMMAJMVBZJQB-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218235704 1315168147 /nfs/dbraw/zinc/16/81/47/1315168147.db2.gz CBNLJGPQRFIUFY-LBPRGKRZSA-N 1 2 344.314 2.536 20 5 EFBDLO Cc1cc(O[C@@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])cc1Br ZINC001218234055 1315168397 /nfs/dbraw/zinc/16/83/97/1315168397.db2.gz RMGMCMJTALFENW-SNVBAGLBSA-N 1 2 337.120 2.652 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218236509 1315168696 /nfs/dbraw/zinc/16/86/96/1315168696.db2.gz IEWZBZZHNIUAKG-CQSZACIVSA-N 1 2 327.331 2.571 20 5 EFBDLO O=C1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC001254474978 1315707311 /nfs/dbraw/zinc/70/73/11/1315707311.db2.gz XEHHTWSPZDWING-MRXNPFEDSA-N 1 2 335.379 2.567 20 5 EFBDLO O=C1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC001254474978 1315707314 /nfs/dbraw/zinc/70/73/14/1315707314.db2.gz XEHHTWSPZDWING-MRXNPFEDSA-N 1 2 335.379 2.567 20 5 EFBDLO O=C1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1F ZINC001254476542 1315708267 /nfs/dbraw/zinc/70/82/67/1315708267.db2.gz RWRHWTCSDCYTLU-INIZCTEOSA-N 1 2 335.379 2.567 20 5 EFBDLO O=C1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1F ZINC001254476542 1315708270 /nfs/dbraw/zinc/70/82/70/1315708270.db2.gz RWRHWTCSDCYTLU-INIZCTEOSA-N 1 2 335.379 2.567 20 5 EFBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533244 1315720164 /nfs/dbraw/zinc/72/01/64/1315720164.db2.gz YUHSMYOYCMPDQR-RHSMWYFYSA-N 1 2 342.395 2.900 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001254538178 1315721062 /nfs/dbraw/zinc/72/10/62/1315721062.db2.gz QQMOOEBTPSVKMR-QMMMGPOBSA-N 1 2 330.266 2.717 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC001254551164 1315722832 /nfs/dbraw/zinc/72/28/32/1315722832.db2.gz ZMNUKGYSMSIAND-MRXNPFEDSA-N 1 2 340.427 2.739 20 5 EFBDLO CN(C(=O)OC(C)(C)C)C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597296 1315729084 /nfs/dbraw/zinc/72/90/84/1315729084.db2.gz GXSURKBLHAOEOU-HNNXBMFYSA-N 1 2 347.415 2.613 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603856 1315729879 /nfs/dbraw/zinc/72/98/79/1315729879.db2.gz RDQDDSGIRWQQTN-FUHWJXTLSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603856 1315729882 /nfs/dbraw/zinc/72/98/82/1315729882.db2.gz RDQDDSGIRWQQTN-FUHWJXTLSA-N 1 2 325.368 2.531 20 5 EFBDLO COC(=O)C[N@H+](Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602986 1315729914 /nfs/dbraw/zinc/72/99/14/1315729914.db2.gz JNWNXYMLAUHCSE-SFHVURJKSA-N 1 2 340.379 2.737 20 5 EFBDLO COC(=O)C[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602986 1315729915 /nfs/dbraw/zinc/72/99/15/1315729915.db2.gz JNWNXYMLAUHCSE-SFHVURJKSA-N 1 2 340.379 2.737 20 5 EFBDLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600766 1315729920 /nfs/dbraw/zinc/72/99/20/1315729920.db2.gz RIZBVYRFEFWVQY-HOTGVXAUSA-N 1 2 328.372 2.981 20 5 EFBDLO Cc1nc([C@@H]2CCCC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600766 1315729922 /nfs/dbraw/zinc/72/99/22/1315729922.db2.gz RIZBVYRFEFWVQY-HOTGVXAUSA-N 1 2 328.372 2.981 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039499788 1315844838 /nfs/dbraw/zinc/84/48/38/1315844838.db2.gz YOEGDRDKRNWPEA-IYBDPMFKSA-N 1 2 331.416 2.960 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039499788 1315844841 /nfs/dbraw/zinc/84/48/41/1315844841.db2.gz YOEGDRDKRNWPEA-IYBDPMFKSA-N 1 2 331.416 2.960 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039514683 1315853609 /nfs/dbraw/zinc/85/36/09/1315853609.db2.gz ZLIGIVYREPTXFH-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039514683 1315853612 /nfs/dbraw/zinc/85/36/12/1315853612.db2.gz ZLIGIVYREPTXFH-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO CNC(=O)C[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001261693037 1316424856 /nfs/dbraw/zinc/42/48/56/1316424856.db2.gz DDRCMPGISOGSNA-UHFFFAOYSA-N 1 2 337.763 2.686 20 5 EFBDLO CNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001261693037 1316424859 /nfs/dbraw/zinc/42/48/59/1316424859.db2.gz DDRCMPGISOGSNA-UHFFFAOYSA-N 1 2 337.763 2.686 20 5 EFBDLO C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001319637565 1328934930 /nfs/dbraw/zinc/93/49/30/1328934930.db2.gz APJDOULAADVYKJ-ABAIWWIYSA-N 1 2 332.385 2.627 20 5 EFBDLO C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001319637567 1328935185 /nfs/dbraw/zinc/93/51/85/1328935185.db2.gz APJDOULAADVYKJ-IAQYHMDHSA-N 1 2 332.385 2.627 20 5 EFBDLO Cn1cccc1-c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322456962 1329459924 /nfs/dbraw/zinc/45/99/24/1329459924.db2.gz UGOZYUQTTXMYPZ-UHFFFAOYSA-N 1 2 336.311 2.836 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(CC(F)(F)F)o2)ccc1-n1cc[nH+]c1 ZINC001322562236 1329467652 /nfs/dbraw/zinc/46/76/52/1329467652.db2.gz ZNXJXWURCRNZJH-UHFFFAOYSA-N 1 2 339.233 2.935 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001322702177 1329480751 /nfs/dbraw/zinc/48/07/51/1329480751.db2.gz SJXDAKGANAZBHY-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO COc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c(F)c1 ZINC001333738170 1331205698 /nfs/dbraw/zinc/20/56/98/1331205698.db2.gz ZWNQZEZNJFNUTC-UHFFFAOYSA-N 1 2 336.319 2.747 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810033 1331310187 /nfs/dbraw/zinc/31/01/87/1331310187.db2.gz XOSABPABRZCFMS-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810033 1331310191 /nfs/dbraw/zinc/31/01/91/1331310191.db2.gz XOSABPABRZCFMS-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1cnn(C)c1 ZINC001335781843 1331401959 /nfs/dbraw/zinc/40/19/59/1331401959.db2.gz VEGIOENNCXHLGX-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001337510739 1331581858 /nfs/dbraw/zinc/58/18/58/1331581858.db2.gz VANDURGVIGSMFU-UHFFFAOYSA-N 1 2 326.356 2.855 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001337677681 1331591876 /nfs/dbraw/zinc/59/18/76/1331591876.db2.gz GRVKRPKYFUSWPQ-LLVKDONJSA-N 1 2 347.350 2.879 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1C ZINC001341081321 1332232542 /nfs/dbraw/zinc/23/25/42/1332232542.db2.gz REPXCAXZYDXFSM-UHFFFAOYSA-N 1 2 342.399 2.965 20 5 EFBDLO Cc1cccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001343378655 1332347254 /nfs/dbraw/zinc/34/72/54/1332347254.db2.gz ABPDSNMNPYTHPR-UHFFFAOYSA-N 1 2 329.356 2.836 20 5 EFBDLO CCn1c[nH+]cc1COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001344972746 1332499009 /nfs/dbraw/zinc/49/90/09/1332499009.db2.gz QRZBVRMFBIPZDA-UHFFFAOYSA-N 1 2 333.344 2.955 20 5 EFBDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001347150112 1332720700 /nfs/dbraw/zinc/72/07/00/1332720700.db2.gz XHRZXKGWUDUKRK-OAHLLOKOSA-N 1 2 342.399 2.667 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001348148668 1332804245 /nfs/dbraw/zinc/80/42/45/1332804245.db2.gz DBEPRHYTKFQNLI-DAXSKMNVSA-N 1 2 340.383 2.748 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001348523246 1332845159 /nfs/dbraw/zinc/84/51/59/1332845159.db2.gz NGHNSDZMAPYXRT-UHFFFAOYSA-N 1 2 344.371 2.569 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001349596770 1332973756 /nfs/dbraw/zinc/97/37/56/1332973756.db2.gz NJDNSUUOEDSCQG-UHFFFAOYSA-N 1 2 333.432 2.902 20 5 EFBDLO Cc1[nH]ccc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002560853 1334399752 /nfs/dbraw/zinc/39/97/52/1334399752.db2.gz CUZIAXXQOGEORM-UHFFFAOYSA-N 1 2 348.428 2.687 20 5 EFBDLO CC(=O)[C@H](C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849766353 1335742658 /nfs/dbraw/zinc/74/26/58/1335742658.db2.gz GNMVEMOGXIDRDC-LLVKDONJSA-N 1 2 331.328 2.553 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000235668617 718004988 /nfs/dbraw/zinc/00/49/88/718004988.db2.gz CGPNCCUVDOBVTK-CABZTGNLSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000235668617 718004992 /nfs/dbraw/zinc/00/49/92/718004992.db2.gz CGPNCCUVDOBVTK-CABZTGNLSA-N 1 2 329.194 2.560 20 5 EFBDLO CC(C)=C(F)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980959285 718005375 /nfs/dbraw/zinc/00/53/75/718005375.db2.gz CNVIGCRQECSOLZ-UHFFFAOYSA-N 1 2 335.379 2.893 20 5 EFBDLO CC(C)=C(F)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980959285 718005377 /nfs/dbraw/zinc/00/53/77/718005377.db2.gz CNVIGCRQECSOLZ-UHFFFAOYSA-N 1 2 335.379 2.893 20 5 EFBDLO COc1c(O)ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000892191619 715314574 /nfs/dbraw/zinc/31/45/74/715314574.db2.gz FSRLLSGQXJMPKU-ZDUSSCGKSA-N 1 2 346.387 2.552 20 5 EFBDLO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000892191619 715314579 /nfs/dbraw/zinc/31/45/79/715314579.db2.gz FSRLLSGQXJMPKU-ZDUSSCGKSA-N 1 2 346.387 2.552 20 5 EFBDLO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000892191617 715314708 /nfs/dbraw/zinc/31/47/08/715314708.db2.gz FSRLLSGQXJMPKU-CYBMUJFWSA-N 1 2 346.387 2.552 20 5 EFBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000892191617 715314712 /nfs/dbraw/zinc/31/47/12/715314712.db2.gz FSRLLSGQXJMPKU-CYBMUJFWSA-N 1 2 346.387 2.552 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1[N+](=O)[O-] ZINC000892223091 715372882 /nfs/dbraw/zinc/37/28/82/715372882.db2.gz FELJPXJIMQZFPY-CQSZACIVSA-N 1 2 346.387 2.688 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1[N+](=O)[O-] ZINC000892223091 715372888 /nfs/dbraw/zinc/37/28/88/715372888.db2.gz FELJPXJIMQZFPY-CQSZACIVSA-N 1 2 346.387 2.688 20 5 EFBDLO C[N@H+](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000124986384 715757860 /nfs/dbraw/zinc/75/78/60/715757860.db2.gz AUAQZGIZBFVQDV-SNVBAGLBSA-N 1 2 330.793 2.591 20 5 EFBDLO C[N@@H+](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000124986384 715757864 /nfs/dbraw/zinc/75/78/64/715757864.db2.gz AUAQZGIZBFVQDV-SNVBAGLBSA-N 1 2 330.793 2.591 20 5 EFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000893422086 716069819 /nfs/dbraw/zinc/06/98/19/716069819.db2.gz DLLYNFFWTJPEAT-UHFFFAOYSA-N 1 2 343.383 2.708 20 5 EFBDLO C[C@@H]([N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1(C)CC1 ZINC000176832937 716753229 /nfs/dbraw/zinc/75/32/29/716753229.db2.gz CTHRCQXGGYOAST-CYBMUJFWSA-N 1 2 342.399 2.896 20 5 EFBDLO C[C@@H]([N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1(C)CC1 ZINC000176832937 716753233 /nfs/dbraw/zinc/75/32/33/716753233.db2.gz CTHRCQXGGYOAST-CYBMUJFWSA-N 1 2 342.399 2.896 20 5 EFBDLO Cc1occc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980675334 717581144 /nfs/dbraw/zinc/58/11/44/717581144.db2.gz CHSSEJWTBPQCCG-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1occc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980675334 717581148 /nfs/dbraw/zinc/58/11/48/717581148.db2.gz CHSSEJWTBPQCCG-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980707604 717615165 /nfs/dbraw/zinc/61/51/65/717615165.db2.gz ILQJSOXOKSHJNV-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980707604 717615167 /nfs/dbraw/zinc/61/51/67/717615167.db2.gz ILQJSOXOKSHJNV-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(N(C)C)[nH+]1 ZINC000122789060 719791014 /nfs/dbraw/zinc/79/10/14/719791014.db2.gz CXDHLSILJUAGTM-UHFFFAOYSA-N 1 2 336.298 2.895 20 5 EFBDLO CC(C)Oc1cc(C(=O)OCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000840647414 720030702 /nfs/dbraw/zinc/03/07/02/720030702.db2.gz BRCLCUVMESMCQT-UHFFFAOYSA-N 1 2 333.344 2.515 20 5 EFBDLO CCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000894082489 720263880 /nfs/dbraw/zinc/26/38/80/720263880.db2.gz ZDYYKCZNBSVJJV-UHFFFAOYSA-N 1 2 329.282 2.515 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000896151499 723162268 /nfs/dbraw/zinc/16/22/68/723162268.db2.gz FEPNWFWRDDXAED-CQSZACIVSA-N 1 2 328.372 2.885 20 5 EFBDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029264053 723199749 /nfs/dbraw/zinc/19/97/49/723199749.db2.gz PJZVSCHUFJLGLO-BWEGZWNPSA-N 1 2 329.400 2.736 20 5 EFBDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029264053 723199752 /nfs/dbraw/zinc/19/97/52/723199752.db2.gz PJZVSCHUFJLGLO-BWEGZWNPSA-N 1 2 329.400 2.736 20 5 EFBDLO O=C(C=C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029268115 723209317 /nfs/dbraw/zinc/20/93/17/723209317.db2.gz UQJCDWXSPNRZHD-CALCHBBNSA-N 1 2 341.411 2.880 20 5 EFBDLO O=C(C=C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029268115 723209323 /nfs/dbraw/zinc/20/93/23/723209323.db2.gz UQJCDWXSPNRZHD-CALCHBBNSA-N 1 2 341.411 2.880 20 5 EFBDLO O=C(C=C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029268205 723209734 /nfs/dbraw/zinc/20/97/34/723209734.db2.gz YDUYNVOPYMEPBD-HDICACEKSA-N 1 2 341.411 2.880 20 5 EFBDLO O=C(C=C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029268205 723209737 /nfs/dbraw/zinc/20/97/37/723209737.db2.gz YDUYNVOPYMEPBD-HDICACEKSA-N 1 2 341.411 2.880 20 5 EFBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000896654942 723426084 /nfs/dbraw/zinc/42/60/84/723426084.db2.gz ROUQCYJSXAKLOF-UHFFFAOYSA-N 1 2 341.293 2.788 20 5 EFBDLO CC(C)(CCc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)[N+](=O)[O-] ZINC000896820408 723502074 /nfs/dbraw/zinc/50/20/74/723502074.db2.gz DUGCFHSGUMVUDZ-UHFFFAOYSA-N 1 2 341.371 2.834 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000069391170 728846779 /nfs/dbraw/zinc/84/67/79/728846779.db2.gz ZYXDHRWHRNTINZ-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H](n4cc[nH+]c4)C3)cc2N1 ZINC000728567718 724094460 /nfs/dbraw/zinc/09/44/60/724094460.db2.gz XQILCASEKNECOD-CYBMUJFWSA-N 1 2 341.371 2.518 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1Br ZINC000895780360 724318450 /nfs/dbraw/zinc/31/84/50/724318450.db2.gz IHJBOIKQIMPQBB-POZPLHJXSA-N 1 2 347.234 2.622 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1Br ZINC000895780360 724318452 /nfs/dbraw/zinc/31/84/52/724318452.db2.gz IHJBOIKQIMPQBB-POZPLHJXSA-N 1 2 347.234 2.622 20 5 EFBDLO CN(C)c1cc(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000840658222 725589851 /nfs/dbraw/zinc/58/98/51/725589851.db2.gz XTODMSCRRLWLQC-JKSUJKDBSA-N 1 2 341.367 2.903 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCn1cc[nH+]c1 ZINC000729307700 726229952 /nfs/dbraw/zinc/22/99/52/726229952.db2.gz WAUFGHZAJPBTED-UHFFFAOYSA-N 1 2 336.779 2.884 20 5 EFBDLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000729339188 726316269 /nfs/dbraw/zinc/31/62/69/726316269.db2.gz VDJWMLBVVUQVDR-OAHLLOKOSA-N 1 2 346.387 2.645 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000729339423 726316296 /nfs/dbraw/zinc/31/62/96/726316296.db2.gz XPXJGPKCGOITJU-CQSZACIVSA-N 1 2 334.351 2.775 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000731455507 726868136 /nfs/dbraw/zinc/86/81/36/726868136.db2.gz MWUBYLXDFCMFKZ-UHFFFAOYSA-N 1 2 333.319 2.684 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC(Oc2cc[nH+]cc2)C1 ZINC000732578801 727164140 /nfs/dbraw/zinc/16/41/40/727164140.db2.gz RLKGPOBJMGCNTO-UHFFFAOYSA-N 1 2 333.731 2.547 20 5 EFBDLO O=C(CNc1cccc[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969352 727295518 /nfs/dbraw/zinc/29/55/18/727295518.db2.gz SETXCLQPUUBLDJ-HNNXBMFYSA-N 1 2 340.383 2.808 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910789447 727463867 /nfs/dbraw/zinc/46/38/67/727463867.db2.gz BADKWJHQJXUBOD-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910789447 727463868 /nfs/dbraw/zinc/46/38/68/727463868.db2.gz BADKWJHQJXUBOD-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652896 727732712 /nfs/dbraw/zinc/73/27/12/727732712.db2.gz LNUKFEPNKONTTK-LBPRGKRZSA-N 1 2 328.372 2.866 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652896 727732714 /nfs/dbraw/zinc/73/27/14/727732714.db2.gz LNUKFEPNKONTTK-LBPRGKRZSA-N 1 2 328.372 2.866 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000129589341 727931451 /nfs/dbraw/zinc/93/14/51/727931451.db2.gz 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O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000172953557 728612131 /nfs/dbraw/zinc/61/21/31/728612131.db2.gz QETBZOYYZNNSJM-UHFFFAOYSA-N 1 2 330.388 2.937 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000172953557 728612133 /nfs/dbraw/zinc/61/21/33/728612133.db2.gz QETBZOYYZNNSJM-UHFFFAOYSA-N 1 2 330.388 2.937 20 5 EFBDLO O=C1SCCN1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173435296 728626502 /nfs/dbraw/zinc/62/65/02/728626502.db2.gz BRFXDZXQSVVFLH-UHFFFAOYSA-N 1 2 337.401 2.564 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000919955605 729116120 /nfs/dbraw/zinc/11/61/20/729116120.db2.gz WSDMZPDLPUNARH-AWEZNQCLSA-N 1 2 340.339 2.692 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000919955605 729116123 /nfs/dbraw/zinc/11/61/23/729116123.db2.gz WSDMZPDLPUNARH-AWEZNQCLSA-N 1 2 340.339 2.692 20 5 EFBDLO COc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000920767497 729229530 /nfs/dbraw/zinc/22/95/30/729229530.db2.gz FIZMOGHALCKSLU-HNNXBMFYSA-N 1 2 346.387 2.645 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000920767228 729229611 /nfs/dbraw/zinc/22/96/11/729229611.db2.gz CLBOIQKYJALKKG-HNNXBMFYSA-N 1 2 330.388 2.565 20 5 EFBDLO C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001579405860 1090606351 /nfs/dbraw/zinc/60/63/51/1090606351.db2.gz FRURXODNEFHOCE-PSLIRLAXSA-N 1 2 335.310 2.750 20 5 EFBDLO O=[N+]([O-])c1c(Oc2cccc(-n3cc[nH+]c3)c2)cccc1-c1nn[nH]n1 ZINC001593469114 1094312920 /nfs/dbraw/zinc/31/29/20/1094312920.db2.gz NYXWUURJQUNFAN-UHFFFAOYSA-N 1 2 349.310 2.753 20 5 EFBDLO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218008460 1095383584 /nfs/dbraw/zinc/38/35/84/1095383584.db2.gz YHLLQVWYKVQCEU-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1Br ZINC001225758485 1098486623 /nfs/dbraw/zinc/48/66/23/1098486623.db2.gz IMQKRLPVTBJQER-LBPRGKRZSA-N 1 2 327.178 2.830 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000843780287 1100443833 /nfs/dbraw/zinc/44/38/33/1100443833.db2.gz JWWAOILEHIATNY-UHFFFAOYSA-N 1 2 332.335 2.716 20 5 EFBDLO CC(C)(C)[NH+]1CC(Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229563423 1104849088 /nfs/dbraw/zinc/84/90/88/1104849088.db2.gz RBNLOLDLJIURED-UHFFFAOYSA-N 1 2 330.182 2.614 20 5 EFBDLO O=C1CCCN1C1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000897785930 1106095624 /nfs/dbraw/zinc/09/56/24/1106095624.db2.gz CAERYEDEUSNBIU-UHFFFAOYSA-N 1 2 341.367 2.661 20 5 EFBDLO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC001106759666 1111805993 /nfs/dbraw/zinc/80/59/93/1111805993.db2.gz URYPOJAZQSZDSS-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CNC(=O)c1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000053551277 214187725 /nfs/dbraw/zinc/18/77/25/214187725.db2.gz LURPPCHCINNJBM-UHFFFAOYSA-N 1 2 328.353 2.753 20 5 EFBDLO CC[C@@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929028 529523845 /nfs/dbraw/zinc/52/38/45/529523845.db2.gz WAHLVSYNZJMSMG-INIZCTEOSA-N 1 2 340.445 2.881 20 5 EFBDLO CC[C@@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929028 529523848 /nfs/dbraw/zinc/52/38/48/529523848.db2.gz WAHLVSYNZJMSMG-INIZCTEOSA-N 1 2 340.445 2.881 20 5 EFBDLO CCc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000153059238 529607411 /nfs/dbraw/zinc/60/74/11/529607411.db2.gz SAUSHSMRHQRZCE-OAHLLOKOSA-N 1 2 340.383 2.561 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154929683 529898451 /nfs/dbraw/zinc/89/84/51/529898451.db2.gz MTIDRCJNZDVVFS-UHFFFAOYSA-N 1 2 343.387 2.528 20 5 EFBDLO Cn1ccnc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153426660 529938586 /nfs/dbraw/zinc/93/85/86/529938586.db2.gz XTAPHYXNRWLMFT-UHFFFAOYSA-N 1 2 341.371 2.658 20 5 EFBDLO Cn1ccnc1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153426660 529938587 /nfs/dbraw/zinc/93/85/87/529938587.db2.gz XTAPHYXNRWLMFT-UHFFFAOYSA-N 1 2 341.371 2.658 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1c[nH+]cn1C ZINC000189867276 529980222 /nfs/dbraw/zinc/98/02/22/529980222.db2.gz BJLFSRMYOHGBIG-UHFFFAOYSA-N 1 2 336.779 2.573 20 5 EFBDLO C[C@H](N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000178244674 232116688 /nfs/dbraw/zinc/11/66/88/232116688.db2.gz NJYAETYFCQRCPQ-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000101864552 219168590 /nfs/dbraw/zinc/16/85/90/219168590.db2.gz HKIXHLPWOXMBKM-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000178690025 232377028 /nfs/dbraw/zinc/37/70/28/232377028.db2.gz UBOPWPXUWBYRBM-ZDUSSCGKSA-N 1 2 331.376 2.584 20 5 EFBDLO Cn1cnnc1[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413053063 282795720 /nfs/dbraw/zinc/79/57/20/282795720.db2.gz NBDKSBMXZQIJMK-ZDUSSCGKSA-N 1 2 338.371 2.656 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1Cl ZINC000180474152 233875215 /nfs/dbraw/zinc/87/52/15/233875215.db2.gz PROVLIFNAAKDMC-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000436895473 299244961 /nfs/dbraw/zinc/24/49/61/299244961.db2.gz VFVLFWWETQAJFN-SJCJKPOMSA-N 1 2 343.383 2.722 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000436938088 299246992 /nfs/dbraw/zinc/24/69/92/299246992.db2.gz JXKQGHMLQMAGEM-SJCJKPOMSA-N 1 2 343.383 2.722 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000072287588 216119229 /nfs/dbraw/zinc/11/92/29/216119229.db2.gz WAWQZXYLQNZCSK-UHFFFAOYSA-N 1 2 340.343 2.708 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1cccs1 ZINC000129989115 223110637 /nfs/dbraw/zinc/11/06/37/223110637.db2.gz SXLLJCDDTIADHY-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1cccs1 ZINC000129989115 223110638 /nfs/dbraw/zinc/11/06/38/223110638.db2.gz SXLLJCDDTIADHY-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccco1 ZINC000072561152 216275069 /nfs/dbraw/zinc/27/50/69/216275069.db2.gz DCANJSAICLBNKB-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccco1 ZINC000072561152 216275072 /nfs/dbraw/zinc/27/50/72/216275072.db2.gz DCANJSAICLBNKB-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000164643046 239114627 /nfs/dbraw/zinc/11/46/27/239114627.db2.gz NXBZWPXAFDRVEO-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO CCn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)cn1 ZINC000191714119 239262774 /nfs/dbraw/zinc/26/27/74/239262774.db2.gz GFISXZHEJPLKGC-KRWDZBQOSA-N 1 2 330.388 2.693 20 5 EFBDLO CCn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)cn1 ZINC000191714119 239262778 /nfs/dbraw/zinc/26/27/78/239262778.db2.gz GFISXZHEJPLKGC-KRWDZBQOSA-N 1 2 330.388 2.693 20 5 EFBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177404111 239372545 /nfs/dbraw/zinc/37/25/45/239372545.db2.gz PCRHJLRYYIUOAP-MRXNPFEDSA-N 1 2 333.775 2.739 20 5 EFBDLO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000194747750 240175976 /nfs/dbraw/zinc/17/59/76/240175976.db2.gz FLZZZMFOWOVBFI-UHFFFAOYSA-N 1 2 335.404 2.542 20 5 EFBDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000365008969 242315146 /nfs/dbraw/zinc/31/51/46/242315146.db2.gz DIPJEAHYRDFEPL-OAHLLOKOSA-N 1 2 330.388 2.605 20 5 EFBDLO COc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000076061530 216698509 /nfs/dbraw/zinc/69/85/09/216698509.db2.gz XQLYNCRMOHYAGL-UHFFFAOYSA-N 1 2 325.328 2.796 20 5 EFBDLO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000412027445 243078716 /nfs/dbraw/zinc/07/87/16/243078716.db2.gz POFACOMXIYZIMY-UHFFFAOYSA-N 1 2 331.372 2.981 20 5 EFBDLO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000412027445 243078719 /nfs/dbraw/zinc/07/87/19/243078719.db2.gz POFACOMXIYZIMY-UHFFFAOYSA-N 1 2 331.372 2.981 20 5 EFBDLO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246112494 243199112 /nfs/dbraw/zinc/19/91/12/243199112.db2.gz LTWCIQFQLBSXCM-ZYHUDNBSSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246112494 243199119 /nfs/dbraw/zinc/19/91/19/243199119.db2.gz LTWCIQFQLBSXCM-ZYHUDNBSSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CS1 ZINC000413517540 243711803 /nfs/dbraw/zinc/71/18/03/243711803.db2.gz MKYZLVITWQBYFQ-TZMCWYRMSA-N 1 2 337.445 2.733 20 5 EFBDLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414454654 244169526 /nfs/dbraw/zinc/16/95/26/244169526.db2.gz DVFGFIRYEQVQCU-UHFFFAOYSA-N 1 2 349.412 2.766 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110117656 220016865 /nfs/dbraw/zinc/01/68/65/220016865.db2.gz NNRMFMWOPUUXFP-UHFFFAOYSA-N 1 2 342.403 2.899 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110117656 220016868 /nfs/dbraw/zinc/01/68/68/220016868.db2.gz NNRMFMWOPUUXFP-UHFFFAOYSA-N 1 2 342.403 2.899 20 5 EFBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000111271279 220129737 /nfs/dbraw/zinc/12/97/37/220129737.db2.gz XPZHMSCXSYVHHJ-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000111271279 220129740 /nfs/dbraw/zinc/12/97/40/220129740.db2.gz XPZHMSCXSYVHHJ-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000081019036 217351886 /nfs/dbraw/zinc/35/18/86/217351886.db2.gz OEJJUIGUDHFBDI-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000081019036 217351890 /nfs/dbraw/zinc/35/18/90/217351890.db2.gz OEJJUIGUDHFBDI-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO Cc1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421554456 246015161 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EFBDLO CC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000442795194 250119668 /nfs/dbraw/zinc/11/96/68/250119668.db2.gz BQQOZULMTQCLCP-CYBMUJFWSA-N 1 2 327.344 2.540 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000093608061 218234823 /nfs/dbraw/zinc/23/48/23/218234823.db2.gz PRSUAXABJMYMSH-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CCc1nsc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093642996 218235848 /nfs/dbraw/zinc/23/58/48/218235848.db2.gz DALWDKIZRDDPRD-UHFFFAOYSA-N 1 2 347.444 2.639 20 5 EFBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444292831 250282867 /nfs/dbraw/zinc/28/28/67/250282867.db2.gz SWYYRGBJJGUXCV-KBPBESRZSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444292831 250282870 /nfs/dbraw/zinc/28/28/70/250282870.db2.gz SWYYRGBJJGUXCV-KBPBESRZSA-N 1 2 349.434 2.846 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](OCC4CC4)C3)nc2c1 ZINC000444678852 250328809 /nfs/dbraw/zinc/32/88/09/250328809.db2.gz KPUSWQCTKPZJHZ-AWEZNQCLSA-N 1 2 330.388 2.862 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](OCC4CC4)C3)nc2c1 ZINC000444678852 250328812 /nfs/dbraw/zinc/32/88/12/250328812.db2.gz KPUSWQCTKPZJHZ-AWEZNQCLSA-N 1 2 330.388 2.862 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCSC1 ZINC000447813561 250615042 /nfs/dbraw/zinc/61/50/42/250615042.db2.gz WRNJKPSVGASQMB-AWEZNQCLSA-N 1 2 337.445 2.592 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1cscn1 ZINC000447807413 250614057 /nfs/dbraw/zinc/61/40/57/250614057.db2.gz RJITXAFSRYDMHX-UHFFFAOYSA-N 1 2 348.428 2.538 20 5 EFBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449528909 251055046 /nfs/dbraw/zinc/05/50/46/251055046.db2.gz SYVSINBZEOLHIL-LYASGUKUSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449528909 251055048 /nfs/dbraw/zinc/05/50/48/251055048.db2.gz SYVSINBZEOLHIL-LYASGUKUSA-N 1 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251210805 /nfs/dbraw/zinc/21/08/05/251210805.db2.gz JWPAAYPELZAIHS-OLZOCXBDSA-N 1 2 331.376 2.549 20 5 EFBDLO CC1(C)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000449954835 251210418 /nfs/dbraw/zinc/21/04/18/251210418.db2.gz QJFVQZGVYMWFJQ-BETUJISGSA-N 1 2 326.356 2.509 20 5 EFBDLO CC[C@@H](CSC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450405874 251377498 /nfs/dbraw/zinc/37/74/98/251377498.db2.gz GVKFNSNXLZIMAQ-LBPRGKRZSA-N 1 2 334.401 2.652 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152758151 224008946 /nfs/dbraw/zinc/00/89/46/224008946.db2.gz AWYAEFFTCXBYEN-SJCJKPOMSA-N 1 2 343.383 2.871 20 5 EFBDLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452835446 251981987 /nfs/dbraw/zinc/98/19/87/251981987.db2.gz CMFWALHQWVQSIK-AWEZNQCLSA-N 1 2 328.372 2.657 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000454373482 252239344 /nfs/dbraw/zinc/23/93/44/252239344.db2.gz USURCHPRNHOPRW-VXGBXAGGSA-N 1 2 331.376 2.933 20 5 EFBDLO Cc1cc(N2CCO[C@@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268800509 252253460 /nfs/dbraw/zinc/25/34/60/252253460.db2.gz JGBLIIGWZMTXTQ-STQMWFEESA-N 1 2 328.372 2.974 20 5 EFBDLO C[C@@H](N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178249231 533010337 /nfs/dbraw/zinc/01/03/37/533010337.db2.gz WLJVBXDCUZWONL-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO Cc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc([N+](=O)[O-])c1 ZINC000112664652 220367684 /nfs/dbraw/zinc/36/76/84/220367684.db2.gz NKSYCEQUNANMLJ-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000112667010 220369484 /nfs/dbraw/zinc/36/94/84/220369484.db2.gz KHGLULIYBYGTEC-UHFFFAOYSA-N 1 2 342.399 2.579 20 5 EFBDLO Cc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000112671003 220370287 /nfs/dbraw/zinc/37/02/87/220370287.db2.gz DLMDPTROWIBSHI-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000119240254 285153290 /nfs/dbraw/zinc/15/32/90/285153290.db2.gz JJVJHLLJIJGGIB-ZDUSSCGKSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000368388565 285154091 /nfs/dbraw/zinc/15/40/91/285154091.db2.gz RODJAFAGVGXYHV-CQSZACIVSA-N 1 2 336.779 2.921 20 5 EFBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000181782956 533365324 /nfs/dbraw/zinc/36/53/24/533365324.db2.gz BYJGKZPDSRHANK-CYBMUJFWSA-N 1 2 340.426 2.532 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191814176 533433879 /nfs/dbraw/zinc/43/38/79/533433879.db2.gz OGMYSGGKMFDLNM-JQWIXIFHSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191814176 533433897 /nfs/dbraw/zinc/43/38/97/533433897.db2.gz OGMYSGGKMFDLNM-JQWIXIFHSA-N 1 2 326.780 2.879 20 5 EFBDLO COc1cccc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000185342489 533574790 /nfs/dbraw/zinc/57/47/90/533574790.db2.gz LTXGOKYWBNUWQO-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO COc1cccc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000185342489 533574793 /nfs/dbraw/zinc/57/47/93/533574793.db2.gz LTXGOKYWBNUWQO-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154002681 533656644 /nfs/dbraw/zinc/65/66/44/533656644.db2.gz SBHIYGBQSQQSCG-LLVKDONJSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154002681 533656649 /nfs/dbraw/zinc/65/66/49/533656649.db2.gz SBHIYGBQSQQSCG-LLVKDONJSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000178144113 533657778 /nfs/dbraw/zinc/65/77/78/533657778.db2.gz VRGNVPSUKFXCGV-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000178144113 533657786 /nfs/dbraw/zinc/65/77/86/533657786.db2.gz VRGNVPSUKFXCGV-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000125995110 141364634 /nfs/dbraw/zinc/36/46/34/141364634.db2.gz KYGSHDICFAOQNM-XHDPSFHLSA-N 1 2 332.335 2.654 20 5 EFBDLO C[C@@H]1COCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343516560 142011033 /nfs/dbraw/zinc/01/10/33/142011033.db2.gz IUSHCGHBDSZDEY-ZBFHGGJFSA-N 1 2 349.431 2.512 20 5 EFBDLO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000344437502 142016743 /nfs/dbraw/zinc/01/67/43/142016743.db2.gz MUTBULNVOISKML-IAQYHMDHSA-N 1 2 343.387 2.840 20 5 EFBDLO CCNc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000344606845 142047758 /nfs/dbraw/zinc/04/77/58/142047758.db2.gz UPIWPDQYXVNFFU-HNNXBMFYSA-N 1 2 343.387 2.641 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000349949703 142382129 /nfs/dbraw/zinc/38/21/29/142382129.db2.gz UPOZFTHJYKXRDW-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO CC(C)C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000341422039 145049608 /nfs/dbraw/zinc/04/96/08/145049608.db2.gz QJAJIVFWIQKXPU-CYBMUJFWSA-N 1 2 325.384 2.893 20 5 EFBDLO Cc1c(C[N@@H+](CC(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000342121128 145065660 /nfs/dbraw/zinc/06/56/60/145065660.db2.gz VQPMZDWUMBVLQF-AWEZNQCLSA-N 1 2 327.384 2.952 20 5 EFBDLO Cc1c(C[N@H+](CC(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000342121128 145065661 /nfs/dbraw/zinc/06/56/61/145065661.db2.gz VQPMZDWUMBVLQF-AWEZNQCLSA-N 1 2 327.384 2.952 20 5 EFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc2[nH+]ccn21 ZINC000342383693 145113100 /nfs/dbraw/zinc/11/31/00/145113100.db2.gz PHULPXUCZNNHRS-UHFFFAOYSA-N 1 2 332.266 2.702 20 5 EFBDLO O=C(NC[C@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342631001 145162225 /nfs/dbraw/zinc/16/22/25/145162225.db2.gz BUCAARQJAPQHLJ-CYBMUJFWSA-N 1 2 346.412 2.796 20 5 EFBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000343639288 145259475 /nfs/dbraw/zinc/25/94/75/145259475.db2.gz FZHDGIXUXCYYBW-ABAIWWIYSA-N 1 2 344.346 2.840 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000343749747 145285938 /nfs/dbraw/zinc/28/59/38/145285938.db2.gz BXKZEFOYLYAWOS-CYBMUJFWSA-N 1 2 342.399 2.622 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000344135305 145376926 /nfs/dbraw/zinc/37/69/26/145376926.db2.gz PZSNQKNFFJZDHI-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000351573579 146148688 /nfs/dbraw/zinc/14/86/88/146148688.db2.gz LAKBKKMATCHBAV-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000351573579 146148689 /nfs/dbraw/zinc/14/86/89/146148689.db2.gz LAKBKKMATCHBAV-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351650848 146169338 /nfs/dbraw/zinc/16/93/38/146169338.db2.gz PJZFXFPPZBTMGT-UHFFFAOYSA-N 1 2 343.318 2.746 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](COC(F)F)C3)nc2c1 ZINC000353020857 146376965 /nfs/dbraw/zinc/37/69/65/146376965.db2.gz BFWFAEMJPCWHEW-VIFPVBQESA-N 1 2 326.303 2.532 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](COC(F)F)C3)nc2c1 ZINC000353020857 146376966 /nfs/dbraw/zinc/37/69/66/146376966.db2.gz BFWFAEMJPCWHEW-VIFPVBQESA-N 1 2 326.303 2.532 20 5 EFBDLO O=[N+]([O-])c1cccc(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355658200 147025803 /nfs/dbraw/zinc/02/58/03/147025803.db2.gz PLBRAOGZVOBJRJ-UHFFFAOYSA-N 1 2 335.323 2.807 20 5 EFBDLO Cc1ccc(Cc2noc(CCNc3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356146846 147159888 /nfs/dbraw/zinc/15/98/88/147159888.db2.gz JVWCDFFQTUDAIM-UHFFFAOYSA-N 1 2 339.355 2.927 20 5 EFBDLO Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000358407060 147794611 /nfs/dbraw/zinc/79/46/11/147794611.db2.gz DXCYQCWIRLPKSI-UHFFFAOYSA-N 1 2 328.303 2.871 20 5 EFBDLO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000360086679 148267495 /nfs/dbraw/zinc/26/74/95/148267495.db2.gz UHJYCMSWEBTQDH-OAHLLOKOSA-N 1 2 349.337 2.906 20 5 EFBDLO Cc1cc(N[C@@H](CO)CC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000360109704 148274270 /nfs/dbraw/zinc/27/42/70/148274270.db2.gz YXKRZFSJYJWJBI-OAHLLOKOSA-N 1 2 342.399 2.745 20 5 EFBDLO COc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000360387105 148349177 /nfs/dbraw/zinc/34/91/77/148349177.db2.gz AHKHTAXYZFJTKE-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360530214 148385439 /nfs/dbraw/zinc/38/54/39/148385439.db2.gz UHUYAYZHERUDKY-UHFFFAOYSA-N 1 2 338.367 2.878 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c2nonc21 ZINC000364033559 149053150 /nfs/dbraw/zinc/05/31/50/149053150.db2.gz LZYPMFJTFHWCHU-UHFFFAOYSA-N 1 2 336.311 2.929 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000369366183 150337045 /nfs/dbraw/zinc/33/70/45/150337045.db2.gz LAFFOUIHCYMLSM-OAHLLOKOSA-N 1 2 342.399 2.667 20 5 EFBDLO CCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372658380 151043375 /nfs/dbraw/zinc/04/33/75/151043375.db2.gz YGZGFXNNSAWBBJ-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO CCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372658380 151043376 /nfs/dbraw/zinc/04/33/76/151043376.db2.gz YGZGFXNNSAWBBJ-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000373741031 151218948 /nfs/dbraw/zinc/21/89/48/151218948.db2.gz KOQUNKYXPXBYQV-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO Cc1nccnc1N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000374137936 151289263 /nfs/dbraw/zinc/28/92/63/151289263.db2.gz KYQUQTMOJRAHLR-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374470656 151353491 /nfs/dbraw/zinc/35/34/91/151353491.db2.gz KAOQDJGOWJTEQB-AWEZNQCLSA-N 1 2 341.371 2.870 20 5 EFBDLO COc1ccccc1[C@H](Nc1ncc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000374494222 151357268 /nfs/dbraw/zinc/35/72/68/151357268.db2.gz CDCJUQADRRVRSQ-ZDUSSCGKSA-N 1 2 345.384 2.995 20 5 EFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000377753583 151939802 /nfs/dbraw/zinc/93/98/02/151939802.db2.gz IHSBDTYQRRWZET-JTQLQIEISA-N 1 2 334.763 2.991 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456382258 286729410 /nfs/dbraw/zinc/72/94/10/286729410.db2.gz NASZAXKTVFDQAN-JOYOIKCWSA-N 1 2 332.385 2.949 20 5 EFBDLO CSc1cccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456430671 286730627 /nfs/dbraw/zinc/73/06/27/286730627.db2.gz SFVQGUJXNJUIST-KOLCDFICSA-N 1 2 332.385 2.949 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122335550 222063659 /nfs/dbraw/zinc/06/36/59/222063659.db2.gz SZAZYBJSLCKQNP-LBPRGKRZSA-N 1 2 341.795 2.959 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122335550 222063662 /nfs/dbraw/zinc/06/36/62/222063662.db2.gz SZAZYBJSLCKQNP-LBPRGKRZSA-N 1 2 341.795 2.959 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000122790816 222159242 /nfs/dbraw/zinc/15/92/42/222159242.db2.gz CEBNQHZZVUQJBS-UHFFFAOYSA-N 1 2 345.359 2.669 20 5 EFBDLO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000123808094 222334334 /nfs/dbraw/zinc/33/43/34/222334334.db2.gz PWMVOSRXKBBDRQ-WBMJQRKESA-N 1 2 328.372 2.823 20 5 EFBDLO O=C(NC(C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032140767 544438700 /nfs/dbraw/zinc/43/87/00/544438700.db2.gz YXNALRXXHOWMEP-UHFFFAOYSA-N 1 2 326.356 2.699 20 5 EFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2[nH+]ccn2c1 ZINC000186341715 265062468 /nfs/dbraw/zinc/06/24/68/265062468.db2.gz PPASEZZBBODSRY-UHFFFAOYSA-N 1 2 330.731 2.826 20 5 EFBDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187361519 265095748 /nfs/dbraw/zinc/09/57/48/265095748.db2.gz RBXTUNPLIVVIFB-SFHVURJKSA-N 1 2 342.395 2.901 20 5 EFBDLO O=C(CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1 ZINC000189462318 265190223 /nfs/dbraw/zinc/19/02/23/265190223.db2.gz UDUCHCGKSFLONV-UHFFFAOYSA-N 1 2 341.367 2.687 20 5 EFBDLO COc1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191754466 265275851 /nfs/dbraw/zinc/27/58/51/265275851.db2.gz FNIATGXQUTWPJS-HNNXBMFYSA-N 1 2 348.428 2.627 20 5 EFBDLO COc1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191754466 265275853 /nfs/dbraw/zinc/27/58/53/265275853.db2.gz FNIATGXQUTWPJS-HNNXBMFYSA-N 1 2 348.428 2.627 20 5 EFBDLO CN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000193751456 265343979 /nfs/dbraw/zinc/34/39/79/265343979.db2.gz OBQKCVVLTYRONM-UHFFFAOYSA-N 1 2 327.384 2.929 20 5 EFBDLO CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000193751456 265343981 /nfs/dbraw/zinc/34/39/81/265343981.db2.gz OBQKCVVLTYRONM-UHFFFAOYSA-N 1 2 327.384 2.929 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000270053512 265615512 /nfs/dbraw/zinc/61/55/12/265615512.db2.gz MZFNOISNCQXXRN-CYBMUJFWSA-N 1 2 340.387 2.655 20 5 EFBDLO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000272345829 266237254 /nfs/dbraw/zinc/23/72/54/266237254.db2.gz BHYUIVDWMVMVDG-UHFFFAOYSA-N 1 2 335.404 2.637 20 5 EFBDLO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ncnn1C ZINC000276684666 267034799 /nfs/dbraw/zinc/03/47/99/267034799.db2.gz LZQMLDKOZPTPFY-NSHDSACASA-N 1 2 327.344 2.834 20 5 EFBDLO Cc1cc(N[C@@H](C)c2ncnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277003633 267096814 /nfs/dbraw/zinc/09/68/14/267096814.db2.gz XFAATTGDFJBWPC-NSHDSACASA-N 1 2 339.359 2.662 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116306839 273016700 /nfs/dbraw/zinc/01/67/00/273016700.db2.gz MMDSOOVKPQUVHR-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000278456636 267448416 /nfs/dbraw/zinc/44/84/16/267448416.db2.gz SIGYLBDNUNHELG-VIFPVBQESA-N 1 2 329.282 2.953 20 5 EFBDLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000266311556 273079036 /nfs/dbraw/zinc/07/90/36/273079036.db2.gz DNEMGVXNTYJJNB-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267429157 273079503 /nfs/dbraw/zinc/07/95/03/273079503.db2.gz MBMXJODDYZFPIN-UHFFFAOYSA-N 1 2 348.428 2.691 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3CCCO3)no2)ccc1-n1cc[nH+]c1 ZINC000274162019 273124633 /nfs/dbraw/zinc/12/46/33/273124633.db2.gz NVVLNNJTFRGUAH-CYBMUJFWSA-N 1 2 327.300 2.682 20 5 EFBDLO CCc1cc(N)nc(SCc2cc(OC)c(F)cc2[N+](=O)[O-])[nH+]1 ZINC000279099792 273176663 /nfs/dbraw/zinc/17/66/63/273176663.db2.gz PCARMTQCJSDCCT-UHFFFAOYSA-N 1 2 338.364 2.969 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C2CC2)O1 ZINC000279265089 273195051 /nfs/dbraw/zinc/19/50/51/273195051.db2.gz IORCCUKDNVMCEL-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C2CC2)O1 ZINC000279265089 273195052 /nfs/dbraw/zinc/19/50/52/273195052.db2.gz IORCCUKDNVMCEL-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000279468801 273218791 /nfs/dbraw/zinc/21/87/91/273218791.db2.gz MSDCNNYUMFQQHH-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)on1 ZINC000279471842 273219161 /nfs/dbraw/zinc/21/91/61/273219161.db2.gz NAXFQBSFBJKDAO-UHFFFAOYSA-N 1 2 336.779 2.867 20 5 EFBDLO CCC(=O)c1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280036014 273283556 /nfs/dbraw/zinc/28/35/56/273283556.db2.gz AHGRXZARKIZCFV-OLZOCXBDSA-N 1 2 335.404 2.709 20 5 EFBDLO CCC(=O)c1ccc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280036016 273283565 /nfs/dbraw/zinc/28/35/65/273283565.db2.gz AHGRXZARKIZCFV-STQMWFEESA-N 1 2 335.404 2.709 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388511 273322885 /nfs/dbraw/zinc/32/28/85/273322885.db2.gz KGCOQJSYIJMCJZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000280388511 273322887 /nfs/dbraw/zinc/32/28/87/273322887.db2.gz KGCOQJSYIJMCJZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO CCN(CC)c1ccc(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000280916693 273381027 /nfs/dbraw/zinc/38/10/27/273381027.db2.gz FNZKEJDWQTUEHB-UHFFFAOYSA-N 1 2 345.359 2.761 20 5 EFBDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000281041495 273394478 /nfs/dbraw/zinc/39/44/78/273394478.db2.gz QAINJNCKMZDLKW-ZDUSSCGKSA-N 1 2 342.399 2.599 20 5 EFBDLO CCn1cnc2c(c1=O)CC[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000281041495 273394481 /nfs/dbraw/zinc/39/44/81/273394481.db2.gz QAINJNCKMZDLKW-ZDUSSCGKSA-N 1 2 342.399 2.599 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)c1 ZINC000285581825 274030569 /nfs/dbraw/zinc/03/05/69/274030569.db2.gz SOKUQSODGMSUGM-HNNXBMFYSA-N 1 2 344.371 2.961 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)c1 ZINC000285581825 274030570 /nfs/dbraw/zinc/03/05/70/274030570.db2.gz SOKUQSODGMSUGM-HNNXBMFYSA-N 1 2 344.371 2.961 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)cc1 ZINC000285591896 274032792 /nfs/dbraw/zinc/03/27/92/274032792.db2.gz TYWDLHJRKXMERV-OAHLLOKOSA-N 1 2 344.371 2.961 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)cc1 ZINC000285591896 274032793 /nfs/dbraw/zinc/03/27/93/274032793.db2.gz TYWDLHJRKXMERV-OAHLLOKOSA-N 1 2 344.371 2.961 20 5 EFBDLO Nc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000285612613 274037574 /nfs/dbraw/zinc/03/75/74/274037574.db2.gz MJBCRGFTJWGSHT-HNNXBMFYSA-N 1 2 348.428 2.724 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000285765067 274069915 /nfs/dbraw/zinc/06/99/15/274069915.db2.gz VQNNFSRMSITVDX-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285973484 274109802 /nfs/dbraw/zinc/10/98/02/274109802.db2.gz NRFMXVFJTUTCCP-SWLSCSKDSA-N 1 2 339.823 2.543 20 5 EFBDLO COC(=O)c1cnoc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286046810 274123190 /nfs/dbraw/zinc/12/31/90/274123190.db2.gz QUWNUQDSLAPODB-UHFFFAOYSA-N 1 2 333.344 2.780 20 5 EFBDLO COC(=O)c1cnoc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286046810 274123191 /nfs/dbraw/zinc/12/31/91/274123191.db2.gz QUWNUQDSLAPODB-UHFFFAOYSA-N 1 2 333.344 2.780 20 5 EFBDLO COCCCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286306512 274174030 /nfs/dbraw/zinc/17/40/30/274174030.db2.gz GWYMWQPNURIRGD-UHFFFAOYSA-N 1 2 344.358 2.891 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000286502018 274214343 /nfs/dbraw/zinc/21/43/43/274214343.db2.gz RGVHOKJHVRZEGY-UONOGXRCSA-N 1 2 330.356 2.579 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000286502018 274214346 /nfs/dbraw/zinc/21/43/46/274214346.db2.gz RGVHOKJHVRZEGY-UONOGXRCSA-N 1 2 330.356 2.579 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286697255 274253634 /nfs/dbraw/zinc/25/36/34/274253634.db2.gz DNKRVDQPHPYSSY-SNVBAGLBSA-N 1 2 343.330 2.584 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286697255 274253637 /nfs/dbraw/zinc/25/36/37/274253637.db2.gz DNKRVDQPHPYSSY-SNVBAGLBSA-N 1 2 343.330 2.584 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000286704680 274255704 /nfs/dbraw/zinc/25/57/04/274255704.db2.gz WNICWQNWNLNQBV-ZYHUDNBSSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000286704680 274255705 /nfs/dbraw/zinc/25/57/05/274255705.db2.gz WNICWQNWNLNQBV-ZYHUDNBSSA-N 1 2 336.285 2.727 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Cl)n2)cc1[N+](=O)[O-] ZINC000289253292 274730525 /nfs/dbraw/zinc/73/05/25/274730525.db2.gz BONRHYCMOQQUDY-IUCAKERBSA-N 1 2 336.783 2.736 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)nc1 ZINC000358260456 275036943 /nfs/dbraw/zinc/03/69/43/275036943.db2.gz IKASYUYMZZCZPQ-UHFFFAOYSA-N 1 2 339.330 2.877 20 5 EFBDLO CC1(C)C[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000190532360 276134828 /nfs/dbraw/zinc/13/48/28/276134828.db2.gz QTOTVDQQQISDGU-OAHLLOKOSA-N 1 2 347.415 2.590 20 5 EFBDLO CC[C@@H](O)C[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000252483410 276445591 /nfs/dbraw/zinc/44/55/91/276445591.db2.gz FAXHWVAGRDKCNI-LLVKDONJSA-N 1 2 348.230 2.795 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456440995 276497027 /nfs/dbraw/zinc/49/70/27/276497027.db2.gz YVLQUXGYZMAODA-MFKMUULPSA-N 1 2 330.344 2.626 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000357597379 276660101 /nfs/dbraw/zinc/66/01/01/276660101.db2.gz QHPOQIDBCYSEBJ-UHFFFAOYSA-N 1 2 340.383 2.827 20 5 EFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193500943 277654255 /nfs/dbraw/zinc/65/42/55/277654255.db2.gz PULOFDWUSVIQNT-NSHDSACASA-N 1 2 333.417 2.517 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454129671 277939695 /nfs/dbraw/zinc/93/96/95/277939695.db2.gz GGZANZVXNNWCCI-SKDRFNHKSA-N 1 2 331.332 2.627 20 5 EFBDLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000340509794 278272379 /nfs/dbraw/zinc/27/23/79/278272379.db2.gz AFGARAYOOZFBKF-UHFFFAOYSA-N 1 2 342.399 2.886 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000061171842 290032779 /nfs/dbraw/zinc/03/27/79/290032779.db2.gz HOMHRLXNHWRTQP-QGZVFWFLSA-N 1 2 325.368 2.724 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000061171842 290032782 /nfs/dbraw/zinc/03/27/82/290032782.db2.gz HOMHRLXNHWRTQP-QGZVFWFLSA-N 1 2 325.368 2.724 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccncc1 ZINC000130306576 293161310 /nfs/dbraw/zinc/16/13/10/293161310.db2.gz VRAQORHWASFGAV-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccncc1 ZINC000130306576 293161312 /nfs/dbraw/zinc/16/13/12/293161312.db2.gz VRAQORHWASFGAV-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131250574 293190908 /nfs/dbraw/zinc/19/09/08/293190908.db2.gz YWFAALMGPWZCEB-AWEZNQCLSA-N 1 2 339.395 2.658 20 5 EFBDLO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131250574 293190911 /nfs/dbraw/zinc/19/09/11/293190911.db2.gz YWFAALMGPWZCEB-AWEZNQCLSA-N 1 2 339.395 2.658 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2ccc(F)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133949534 293273827 /nfs/dbraw/zinc/27/38/27/293273827.db2.gz FAEZTRAMKXLQBW-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2ccc(F)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133949534 293273828 /nfs/dbraw/zinc/27/38/28/293273828.db2.gz FAEZTRAMKXLQBW-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153237848 293366786 /nfs/dbraw/zinc/36/67/86/293366786.db2.gz BZCWCXCRXQPSIE-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CC(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000158819082 293585372 /nfs/dbraw/zinc/58/53/72/293585372.db2.gz KHANVHUOSZKDGU-UHFFFAOYSA-N 1 2 341.415 2.830 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000290940004 294226088 /nfs/dbraw/zinc/22/60/88/294226088.db2.gz OHMNBBWOZSPMQI-UHFFFAOYSA-N 1 2 328.372 2.745 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291255463 294327020 /nfs/dbraw/zinc/32/70/20/294327020.db2.gz MNGQNJVOEXDXJU-CYBMUJFWSA-N 1 2 338.314 2.840 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291255463 294327022 /nfs/dbraw/zinc/32/70/22/294327022.db2.gz MNGQNJVOEXDXJU-CYBMUJFWSA-N 1 2 338.314 2.840 20 5 EFBDLO C[C@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)([NH+](C)C)C1 ZINC000068116476 299875693 /nfs/dbraw/zinc/87/56/93/299875693.db2.gz GAPLDPGMKIJTQC-YVEFUNNKSA-N 1 2 335.404 2.541 20 5 EFBDLO CN(Cc1[nH+]ccn1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293699619 295030307 /nfs/dbraw/zinc/03/03/07/295030307.db2.gz COCCJHJQZFQFMB-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cc1sccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293983998 295093254 /nfs/dbraw/zinc/09/32/54/295093254.db2.gz LCQOMUPVXVPFKJ-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO Cc1cc(N2CCC[C@@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294155871 295120422 /nfs/dbraw/zinc/12/04/22/295120422.db2.gz RFAJXVURDIZSPC-CQSZACIVSA-N 1 2 342.399 2.959 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295121157 295270591 /nfs/dbraw/zinc/27/05/91/295270591.db2.gz ISZQODUVYXGPNQ-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295121157 295270592 /nfs/dbraw/zinc/27/05/92/295270592.db2.gz ISZQODUVYXGPNQ-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295133153 295272447 /nfs/dbraw/zinc/27/24/47/295272447.db2.gz OWHSXOIKKBORQX-LBPRGKRZSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295133153 295272449 /nfs/dbraw/zinc/27/24/49/295272449.db2.gz OWHSXOIKKBORQX-LBPRGKRZSA-N 1 2 327.768 2.521 20 5 EFBDLO CCC[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000295180975 295279053 /nfs/dbraw/zinc/27/90/53/295279053.db2.gz VSNYMORVIATTKS-HOTGVXAUSA-N 1 2 332.404 2.822 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295538324 295337427 /nfs/dbraw/zinc/33/74/27/295337427.db2.gz CKEPHVKGLUESPZ-NSHDSACASA-N 1 2 334.401 2.608 20 5 EFBDLO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000295907854 295395073 /nfs/dbraw/zinc/39/50/73/295395073.db2.gz NVTKYXKZKILODS-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO Cc1c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295972269 295405104 /nfs/dbraw/zinc/40/51/04/295405104.db2.gz SNBKMYOUSZSENS-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362596593 298126491 /nfs/dbraw/zinc/12/64/91/298126491.db2.gz OQBSTWXIOJKBNS-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362596593 298126493 /nfs/dbraw/zinc/12/64/93/298126493.db2.gz OQBSTWXIOJKBNS-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000354780691 302041344 /nfs/dbraw/zinc/04/13/44/302041344.db2.gz BKHZTZWYEGZEOE-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000354780691 302041347 /nfs/dbraw/zinc/04/13/47/302041347.db2.gz BKHZTZWYEGZEOE-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374623601 303019679 /nfs/dbraw/zinc/01/96/79/303019679.db2.gz WTGXUISGDVKBHC-NSHDSACASA-N 1 2 332.326 2.883 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374623601 303019682 /nfs/dbraw/zinc/01/96/82/303019682.db2.gz WTGXUISGDVKBHC-NSHDSACASA-N 1 2 332.326 2.883 20 5 EFBDLO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000187629050 303743908 /nfs/dbraw/zinc/74/39/08/303743908.db2.gz TUINTEHAWAIAIN-UHFFFAOYSA-N 1 2 347.415 2.827 20 5 EFBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000171806553 310752641 /nfs/dbraw/zinc/75/26/41/310752641.db2.gz JFCVZLLHZJEPMF-UHFFFAOYSA-N 1 2 348.322 2.885 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178074720 310777339 /nfs/dbraw/zinc/77/73/39/310777339.db2.gz HNNQLSFHJXJABF-ZDUSSCGKSA-N 1 2 338.371 2.730 20 5 EFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CCCn1cc[nH+]c1 ZINC000297450676 310896138 /nfs/dbraw/zinc/89/61/38/310896138.db2.gz JJYKZPXHJVQTKN-UHFFFAOYSA-N 1 2 341.371 2.875 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297895949 310938777 /nfs/dbraw/zinc/93/87/77/310938777.db2.gz ROUILONHXLPULW-UHFFFAOYSA-N 1 2 343.330 2.519 20 5 EFBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000298696420 311015404 /nfs/dbraw/zinc/01/54/04/311015404.db2.gz CRMVSEDMKUGKBP-UHFFFAOYSA-N 1 2 344.371 2.846 20 5 EFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707181 311016304 /nfs/dbraw/zinc/01/63/04/311016304.db2.gz ABQFXXMUUHYWNW-WCQYABFASA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707181 311016306 /nfs/dbraw/zinc/01/63/06/311016306.db2.gz ABQFXXMUUHYWNW-WCQYABFASA-N 1 2 332.360 2.644 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000299515056 311092139 /nfs/dbraw/zinc/09/21/39/311092139.db2.gz UYOVHLDWPJDMCI-UHFFFAOYSA-N 1 2 328.328 2.825 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)nc2)c(Cl)c1 ZINC000301248337 311126833 /nfs/dbraw/zinc/12/68/33/311126833.db2.gz AAQHKAVWTCUQRS-UHFFFAOYSA-N 1 2 330.735 2.836 20 5 EFBDLO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000301256780 311127540 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EFBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000302749070 311199165 /nfs/dbraw/zinc/19/91/65/311199165.db2.gz GIOXJHFEQRGWNV-CQSZACIVSA-N 1 2 336.779 2.921 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000302749069 311199262 /nfs/dbraw/zinc/19/92/62/311199262.db2.gz GIOXJHFEQRGWNV-AWEZNQCLSA-N 1 2 336.779 2.921 20 5 EFBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302814552 311202235 /nfs/dbraw/zinc/20/22/35/311202235.db2.gz AAWYKPUIAIOREB-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302814552 311202237 /nfs/dbraw/zinc/20/22/37/311202237.db2.gz AAWYKPUIAIOREB-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO Cc1c(CNc2cc(N3CCSCC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302823096 311202826 /nfs/dbraw/zinc/20/28/26/311202826.db2.gz FKTLAWXOKOCEBW-UHFFFAOYSA-N 1 2 345.428 2.859 20 5 EFBDLO Cc1c(CNc2cc(N3CCSCC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302823096 311202827 /nfs/dbraw/zinc/20/28/27/311202827.db2.gz FKTLAWXOKOCEBW-UHFFFAOYSA-N 1 2 345.428 2.859 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(F)c1 ZINC000305188133 311218888 /nfs/dbraw/zinc/21/88/88/311218888.db2.gz XPTJESJSJNIUBF-CYBMUJFWSA-N 1 2 336.285 2.869 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCCCn3cc[nH+]c3)cc2N1 ZINC000326041948 311243505 /nfs/dbraw/zinc/24/35/05/311243505.db2.gz XHHFLYGORMCMSJ-UHFFFAOYSA-N 1 2 329.360 2.568 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331150832 311357832 /nfs/dbraw/zinc/35/78/32/311357832.db2.gz NXEZAPCXNSHJMP-UHFFFAOYSA-N 1 2 344.358 2.974 20 5 EFBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000331317880 311367258 /nfs/dbraw/zinc/36/72/58/311367258.db2.gz JSXCUOKLRCIRHS-OAHLLOKOSA-N 1 2 326.368 2.989 20 5 EFBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000331317880 311367259 /nfs/dbraw/zinc/36/72/59/311367259.db2.gz JSXCUOKLRCIRHS-OAHLLOKOSA-N 1 2 326.368 2.989 20 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ZINC000413144717 312046319 /nfs/dbraw/zinc/04/63/19/312046319.db2.gz KPXQFPIWSJRVIZ-UHFFFAOYSA-N 1 2 331.372 2.775 20 5 EFBDLO CCN(CC)c1ccc(CNc2c(C(N)=O)cccc2[N+](=O)[O-])c[nH+]1 ZINC000420580985 312373218 /nfs/dbraw/zinc/37/32/18/312373218.db2.gz DHWUFSIFCNSGKM-UHFFFAOYSA-N 1 2 343.387 2.547 20 5 EFBDLO NC(=O)[C@H]1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000420609799 312375912 /nfs/dbraw/zinc/37/59/12/312375912.db2.gz LHAQSHDDQBTBSV-AULYBMBSSA-N 1 2 328.372 2.847 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000430223626 312545699 /nfs/dbraw/zinc/54/56/99/312545699.db2.gz YGPNFUZTORBEIC-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cccc(CO)[nH+]2)c1 ZINC000432752809 312581143 /nfs/dbraw/zinc/58/11/43/312581143.db2.gz PHAYCRLMWPMPRE-UHFFFAOYSA-N 1 2 325.271 2.696 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000450803890 312750495 /nfs/dbraw/zinc/75/04/95/312750495.db2.gz 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ZINC000490072703 313630623 /nfs/dbraw/zinc/63/06/23/313630623.db2.gz CNWPKCWPKBWCRE-ZCFIWIBFSA-N 1 2 335.311 2.654 20 5 EFBDLO CC[C@]1(O)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000490101412 313633221 /nfs/dbraw/zinc/63/32/21/313633221.db2.gz WXCAKYJUZQFHDT-KRWDZBQOSA-N 1 2 328.372 2.711 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492397393 313975884 /nfs/dbraw/zinc/97/58/84/313975884.db2.gz JXKJKQFZPJVMIZ-AATRIKPKSA-N 1 2 348.790 2.837 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493548649 314396206 /nfs/dbraw/zinc/39/62/06/314396206.db2.gz GFNMZOLJJRCABV-OWOJBTEDSA-N 1 2 340.261 2.666 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000496360673 315039523 /nfs/dbraw/zinc/03/95/23/315039523.db2.gz LXDITNNZASNUDF-GFCCVEGCSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000496360673 315039526 /nfs/dbraw/zinc/03/95/26/315039526.db2.gz LXDITNNZASNUDF-GFCCVEGCSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000496415427 315058851 /nfs/dbraw/zinc/05/88/51/315058851.db2.gz KQZNRIMWYACSGG-LLVKDONJSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000496415427 315058853 /nfs/dbraw/zinc/05/88/53/315058853.db2.gz KQZNRIMWYACSGG-LLVKDONJSA-N 1 2 327.768 2.521 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(OCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000509986294 315505032 /nfs/dbraw/zinc/50/50/32/315505032.db2.gz ZTUOBOBYZVFELF-UHFFFAOYSA-N 1 2 346.339 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC4(CCOCC4)C3)c2c1 ZINC000514780757 315562225 /nfs/dbraw/zinc/56/22/25/315562225.db2.gz BPXPNYCJIQCSOX-UHFFFAOYSA-N 1 2 329.356 2.529 20 5 EFBDLO CS(=O)(=O)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000521403929 316020793 /nfs/dbraw/zinc/02/07/93/316020793.db2.gz PJHSHGXPSRRYFI-JSGCOSHPSA-N 1 2 349.412 2.911 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000530616355 317156011 /nfs/dbraw/zinc/15/60/11/317156011.db2.gz BRBUDBRBHXAUSW-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000530616355 317156015 /nfs/dbraw/zinc/15/60/15/317156015.db2.gz BRBUDBRBHXAUSW-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1cc(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1C ZINC000531781990 317312414 /nfs/dbraw/zinc/31/24/14/317312414.db2.gz FWJCAKUVLMFQFW-UHFFFAOYSA-N 1 2 327.384 2.791 20 5 EFBDLO Cc1cc(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1C ZINC000531781990 317312419 /nfs/dbraw/zinc/31/24/19/317312419.db2.gz FWJCAKUVLMFQFW-UHFFFAOYSA-N 1 2 327.384 2.791 20 5 EFBDLO O=C(NC1CC1)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539805517 317730716 /nfs/dbraw/zinc/73/07/16/317730716.db2.gz WKHCXESQMZCWAV-UHFFFAOYSA-N 1 2 343.387 2.576 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000540723698 317750038 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ZINC000574257548 319845093 /nfs/dbraw/zinc/84/50/93/319845093.db2.gz PGDJNYYGIXBGAQ-SFHVURJKSA-N 1 2 343.383 2.917 20 5 EFBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000578518802 320213968 /nfs/dbraw/zinc/21/39/68/320213968.db2.gz FQNPEYZHUUCTNJ-LBPRGKRZSA-N 1 2 349.822 2.692 20 5 EFBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000578518802 320213970 /nfs/dbraw/zinc/21/39/70/320213970.db2.gz FQNPEYZHUUCTNJ-LBPRGKRZSA-N 1 2 349.822 2.692 20 5 EFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000028094013 323212373 /nfs/dbraw/zinc/21/23/73/323212373.db2.gz LOIDBSMHZOXOOQ-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(NCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181789713 323250896 /nfs/dbraw/zinc/25/08/96/323250896.db2.gz XITVWPJAIMBIOE-UHFFFAOYSA-N 1 2 343.265 2.632 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1F ZINC000297798123 323704348 /nfs/dbraw/zinc/70/43/48/323704348.db2.gz SAOSDGJGJCYWOD-CQSZACIVSA-N 1 2 346.362 2.999 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1F ZINC000297798116 323704700 /nfs/dbraw/zinc/70/47/00/323704700.db2.gz SAOSDGJGJCYWOD-AWEZNQCLSA-N 1 2 346.362 2.999 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000580721139 324221338 /nfs/dbraw/zinc/22/13/38/324221338.db2.gz UEFKLLWGHUWKBY-UHFFFAOYSA-N 1 2 344.371 2.641 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581287373 324342673 /nfs/dbraw/zinc/34/26/73/324342673.db2.gz AEPWNHALCKLTJL-JSGCOSHPSA-N 1 2 328.372 2.828 20 5 EFBDLO Cc1c(C(=O)NCC2CC[NH+](CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000581420543 324372651 /nfs/dbraw/zinc/37/26/51/324372651.db2.gz GRDRKRTVEDSHCX-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161083102 473205152 /nfs/dbraw/zinc/20/51/52/473205152.db2.gz KITJBZMXWMZHKU-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161083102 473205157 /nfs/dbraw/zinc/20/51/57/473205157.db2.gz KITJBZMXWMZHKU-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000161152595 473211773 /nfs/dbraw/zinc/21/17/73/473211773.db2.gz NJRIPJZDMOFQCV-KRWDZBQOSA-N 1 2 340.383 2.617 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000161152595 473211778 /nfs/dbraw/zinc/21/17/78/473211778.db2.gz NJRIPJZDMOFQCV-KRWDZBQOSA-N 1 2 340.383 2.617 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000161390086 473232249 /nfs/dbraw/zinc/23/22/49/473232249.db2.gz RDLLTYWMJABVSG-LBPRGKRZSA-N 1 2 346.774 2.652 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161609159 473247991 /nfs/dbraw/zinc/24/79/91/473247991.db2.gz IFTYWVJHDJFHOS-CQSZACIVSA-N 1 2 348.321 2.739 20 5 EFBDLO CCc1cc(N)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH+]1 ZINC000517070956 468070142 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(C(F)(F)F)c1 ZINC000162324319 473328033 /nfs/dbraw/zinc/32/80/33/473328033.db2.gz NNAYSNLGUTWVPJ-UHFFFAOYSA-N 1 2 347.274 2.809 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162393523 473334129 /nfs/dbraw/zinc/33/41/29/473334129.db2.gz HROOCONPBVLSCN-LBPRGKRZSA-N 1 2 346.774 2.652 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000162450143 473341351 /nfs/dbraw/zinc/34/13/51/473341351.db2.gz RVYVTBLRYFPYFC-JTQLQIEISA-N 1 2 329.194 2.562 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000162450143 473341354 /nfs/dbraw/zinc/34/13/54/473341354.db2.gz RVYVTBLRYFPYFC-JTQLQIEISA-N 1 2 329.194 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000083577541 473351504 /nfs/dbraw/zinc/35/15/04/473351504.db2.gz GKVLRYBOFIFVQQ-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO CCc1cc(NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])nc[nH+]1 ZINC000609585385 469944417 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010341182 471733556 /nfs/dbraw/zinc/73/35/56/471733556.db2.gz GHWXRXCGQYJHDA-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010341182 471733559 /nfs/dbraw/zinc/73/35/59/471733559.db2.gz GHWXRXCGQYJHDA-UHFFFAOYSA-N 1 2 331.397 2.962 20 5 EFBDLO CN(C(=O)CSc1[nH+]cc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC000010378525 471735010 /nfs/dbraw/zinc/73/50/10/471735010.db2.gz IHPGOKQGMHRGSZ-UHFFFAOYSA-N 1 2 342.380 2.998 20 5 EFBDLO CC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000012558181 471781409 /nfs/dbraw/zinc/78/14/09/471781409.db2.gz WGVAXLVKXVTMPJ-KRWDZBQOSA-N 1 2 335.404 2.566 20 5 EFBDLO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000015117762 471889870 /nfs/dbraw/zinc/88/98/70/471889870.db2.gz WBXYTQVSAVZFNI-UHFFFAOYSA-N 1 2 342.403 2.538 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c2ccncc21 ZINC000015209788 471893495 /nfs/dbraw/zinc/89/34/95/471893495.db2.gz BPVCPBVYMRPNRP-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000015295707 471895802 /nfs/dbraw/zinc/89/58/02/471895802.db2.gz YKBIJROKAJBZRA-UHFFFAOYSA-N 1 2 345.374 2.872 20 5 EFBDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000015295707 471895806 /nfs/dbraw/zinc/89/58/06/471895806.db2.gz YKBIJROKAJBZRA-UHFFFAOYSA-N 1 2 345.374 2.872 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015375678 471902154 /nfs/dbraw/zinc/90/21/54/471902154.db2.gz UMJOZXBYGGZHOR-TUAOUCFPSA-N 1 2 332.360 2.815 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015375678 471902158 /nfs/dbraw/zinc/90/21/58/471902158.db2.gz UMJOZXBYGGZHOR-TUAOUCFPSA-N 1 2 332.360 2.815 20 5 EFBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555063 471940702 /nfs/dbraw/zinc/94/07/02/471940702.db2.gz MGSNOPNHBNMLTN-UHFFFAOYSA-N 1 2 338.367 2.853 20 5 EFBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555063 471940707 /nfs/dbraw/zinc/94/07/07/471940707.db2.gz MGSNOPNHBNMLTN-UHFFFAOYSA-N 1 2 338.367 2.853 20 5 EFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000018110450 471969747 /nfs/dbraw/zinc/96/97/47/471969747.db2.gz GBTNMLVKKLRZBJ-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000033220120 471978471 /nfs/dbraw/zinc/97/84/71/471978471.db2.gz RNRVYSHDHJJQGB-LBPRGKRZSA-N 1 2 337.339 2.667 20 5 EFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000033229293 471979358 /nfs/dbraw/zinc/97/93/58/471979358.db2.gz RSLBWYTXYNJHJP-LBPRGKRZSA-N 1 2 337.339 2.667 20 5 EFBDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917731 472006446 /nfs/dbraw/zinc/00/64/46/472006446.db2.gz JDOAEHULFRMHQL-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917731 472006449 /nfs/dbraw/zinc/00/64/49/472006449.db2.gz JDOAEHULFRMHQL-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000023735154 472037018 /nfs/dbraw/zinc/03/70/18/472037018.db2.gz ANIUAHXCEBHPOK-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054056823 472054959 /nfs/dbraw/zinc/05/49/59/472054959.db2.gz IQRYGINDOIKSGC-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000067656227 472065995 /nfs/dbraw/zinc/06/59/95/472065995.db2.gz YVTVTXBNRYWNPB-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067658338 472067768 /nfs/dbraw/zinc/06/77/68/472067768.db2.gz GQFXETBLKFJTOA-ZENOOKHLSA-N 1 2 335.404 2.667 20 5 EFBDLO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067658338 472067773 /nfs/dbraw/zinc/06/77/73/472067773.db2.gz GQFXETBLKFJTOA-ZENOOKHLSA-N 1 2 335.404 2.667 20 5 EFBDLO CCn1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000616737726 479964629 /nfs/dbraw/zinc/96/46/29/479964629.db2.gz DUYCDRPTEGCMTG-UHFFFAOYSA-N 1 2 331.372 2.819 20 5 EFBDLO CCn1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000616737726 479964636 /nfs/dbraw/zinc/96/46/36/479964636.db2.gz DUYCDRPTEGCMTG-UHFFFAOYSA-N 1 2 331.372 2.819 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000067744106 472082837 /nfs/dbraw/zinc/08/28/37/472082837.db2.gz AWUPYBJGALTIJR-UHFFFAOYSA-N 1 2 345.786 2.994 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000041979728 472100655 /nfs/dbraw/zinc/10/06/55/472100655.db2.gz VVCZMMLKAQSMGS-UHFFFAOYSA-N 1 2 328.328 2.666 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2[nH+]1 ZINC000025524417 472101393 /nfs/dbraw/zinc/10/13/93/472101393.db2.gz OOIFFBPJOIWHAU-RMKNXTFCSA-N 1 2 336.351 2.615 20 5 EFBDLO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000025824724 472113662 /nfs/dbraw/zinc/11/36/62/472113662.db2.gz VAYQAQSBBHPLFU-MRXNPFEDSA-N 1 2 327.384 2.908 20 5 EFBDLO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000025824724 472113664 /nfs/dbraw/zinc/11/36/64/472113664.db2.gz VAYQAQSBBHPLFU-MRXNPFEDSA-N 1 2 327.384 2.908 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197923 472126524 /nfs/dbraw/zinc/12/65/24/472126524.db2.gz GAALDVUTTYIIMX-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197923 472126530 /nfs/dbraw/zinc/12/65/30/472126530.db2.gz GAALDVUTTYIIMX-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197918 472127318 /nfs/dbraw/zinc/12/73/18/472127318.db2.gz GAALDVUTTYIIMX-AAEUAGOBSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197918 472127320 /nfs/dbraw/zinc/12/73/20/472127320.db2.gz GAALDVUTTYIIMX-AAEUAGOBSA-N 1 2 332.360 2.644 20 5 EFBDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347485 472133560 /nfs/dbraw/zinc/13/35/60/472133560.db2.gz GLMSIAYSUSFQJW-CYBMUJFWSA-N 1 2 345.403 2.831 20 5 EFBDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347485 472133563 /nfs/dbraw/zinc/13/35/63/472133563.db2.gz GLMSIAYSUSFQJW-CYBMUJFWSA-N 1 2 345.403 2.831 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556485 472156715 /nfs/dbraw/zinc/15/67/15/472156715.db2.gz WJRQNJVWUUCSTL-PSKZRQQASA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556481 472157473 /nfs/dbraw/zinc/15/74/73/472157473.db2.gz WJRQNJVWUUCSTL-UZYOAWRESA-N 1 2 326.356 2.737 20 5 EFBDLO Cc1cc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000075587308 472163566 /nfs/dbraw/zinc/16/35/66/472163566.db2.gz KDKUVTNAPOYKSW-CQSZACIVSA-N 1 2 330.388 2.770 20 5 EFBDLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000075587308 472163572 /nfs/dbraw/zinc/16/35/72/472163572.db2.gz KDKUVTNAPOYKSW-CQSZACIVSA-N 1 2 330.388 2.770 20 5 EFBDLO Cc1cc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000075591937 472164367 /nfs/dbraw/zinc/16/43/67/472164367.db2.gz YDEFLVQRXGEWOL-CQSZACIVSA-N 1 2 330.388 2.770 20 5 EFBDLO C[N@H+](Cc1ccccc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027350166 472173138 /nfs/dbraw/zinc/17/31/38/472173138.db2.gz YOUGREXIXNJKHP-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[N@@H+](Cc1ccccc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027350166 472173146 /nfs/dbraw/zinc/17/31/46/472173146.db2.gz YOUGREXIXNJKHP-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000027415121 472176834 /nfs/dbraw/zinc/17/68/34/472176834.db2.gz OQAJGTBVXANXBN-INIZCTEOSA-N 1 2 336.351 2.848 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC(C)(C)C1 ZINC000075701204 472185213 /nfs/dbraw/zinc/18/52/13/472185213.db2.gz OFIAJEZUVXJTIL-LLVKDONJSA-N 1 2 332.360 2.817 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC(C)(C)C1 ZINC000075701204 472185220 /nfs/dbraw/zinc/18/52/20/472185220.db2.gz OFIAJEZUVXJTIL-LLVKDONJSA-N 1 2 332.360 2.817 20 5 EFBDLO Cc1c(NC(=O)NCCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000043346586 472225903 /nfs/dbraw/zinc/22/59/03/472225903.db2.gz GGWLUPBUEFOHJT-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000055817020 472242322 /nfs/dbraw/zinc/24/23/22/472242322.db2.gz KADWYPFLJWOULE-UHFFFAOYSA-N 1 2 347.396 2.741 20 5 EFBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000029626660 472286208 /nfs/dbraw/zinc/28/62/08/472286208.db2.gz GTTLKFSVAJJWRD-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000044350172 472300941 /nfs/dbraw/zinc/30/09/41/472300941.db2.gz BXUGGPQIASFDGO-AWEZNQCLSA-N 1 2 331.397 2.785 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000044350172 472300949 /nfs/dbraw/zinc/30/09/49/472300949.db2.gz BXUGGPQIASFDGO-AWEZNQCLSA-N 1 2 331.397 2.785 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044465564 472308761 /nfs/dbraw/zinc/30/87/61/472308761.db2.gz QMMWULGAGQBCBH-UHFFFAOYSA-N 1 2 330.369 2.744 20 5 EFBDLO Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000030299089 472324490 /nfs/dbraw/zinc/32/44/90/472324490.db2.gz KWQZCZDDRMVYSA-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000613383093 479982516 /nfs/dbraw/zinc/98/25/16/479982516.db2.gz ZDVKIEXXXIJNBY-UHFFFAOYSA-N 1 2 335.335 2.778 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000613383093 479982521 /nfs/dbraw/zinc/98/25/21/479982521.db2.gz ZDVKIEXXXIJNBY-UHFFFAOYSA-N 1 2 335.335 2.778 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044977526 472361936 /nfs/dbraw/zinc/36/19/36/472361936.db2.gz NIMQDOLOOYMXQG-JTQLQIEISA-N 1 2 330.369 2.825 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000031308412 472373138 /nfs/dbraw/zinc/37/31/38/472373138.db2.gz NCVZESSTYYOVQY-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000069573267 472373553 /nfs/dbraw/zinc/37/35/53/472373553.db2.gz IUVHBUHIRHGDPI-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088608077 472378252 /nfs/dbraw/zinc/37/82/52/472378252.db2.gz JFWMGSYNNHYFCD-UHFFFAOYSA-N 1 2 339.395 2.578 20 5 EFBDLO Cc1cccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088608077 472378258 /nfs/dbraw/zinc/37/82/58/472378258.db2.gz JFWMGSYNNHYFCD-UHFFFAOYSA-N 1 2 339.395 2.578 20 5 EFBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128052279 472394280 /nfs/dbraw/zinc/39/42/80/472394280.db2.gz LPRSLAPLXZXACG-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128052279 472394287 /nfs/dbraw/zinc/39/42/87/472394287.db2.gz LPRSLAPLXZXACG-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000076776359 472400850 /nfs/dbraw/zinc/40/08/50/472400850.db2.gz NDGGGRGXGPKBEB-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)cc1 ZINC000076871977 472418052 /nfs/dbraw/zinc/41/80/52/472418052.db2.gz ALDNESNFVWPFLG-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000097152744 472466427 /nfs/dbraw/zinc/46/64/27/472466427.db2.gz LCDYVYAHLDKVCZ-GFCCVEGCSA-N 1 2 335.404 2.541 20 5 EFBDLO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000097152744 472466435 /nfs/dbraw/zinc/46/64/35/472466435.db2.gz LCDYVYAHLDKVCZ-GFCCVEGCSA-N 1 2 335.404 2.541 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000154795187 472473441 /nfs/dbraw/zinc/47/34/41/472473441.db2.gz IHVHCQNLVBSPMA-UHFFFAOYSA-N 1 2 334.401 2.676 20 5 EFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000097600386 472501438 /nfs/dbraw/zinc/50/14/38/472501438.db2.gz XTUZZGFIQGIYKI-SNVBAGLBSA-N 1 2 340.836 2.862 20 5 EFBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC000046136223 472516850 /nfs/dbraw/zinc/51/68/50/472516850.db2.gz GIGQHAAZGOJUEM-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000070902342 472522155 /nfs/dbraw/zinc/52/21/55/472522155.db2.gz NZUCJRWZODUZIL-CYBMUJFWSA-N 1 2 331.397 2.785 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000070902342 472522162 /nfs/dbraw/zinc/52/21/62/472522162.db2.gz NZUCJRWZODUZIL-CYBMUJFWSA-N 1 2 331.397 2.785 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129630660 472556334 /nfs/dbraw/zinc/55/63/34/472556334.db2.gz MLPUQRBRFAWPCH-UHFFFAOYSA-N 1 2 328.372 2.763 20 5 EFBDLO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599196 472574580 /nfs/dbraw/zinc/57/45/80/472574580.db2.gz IQHWJNZLZPRUBQ-LBPRGKRZSA-N 1 2 333.413 2.793 20 5 EFBDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599196 472574583 /nfs/dbraw/zinc/57/45/83/472574583.db2.gz IQHWJNZLZPRUBQ-LBPRGKRZSA-N 1 2 333.413 2.793 20 5 EFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119845739 472590766 /nfs/dbraw/zinc/59/07/66/472590766.db2.gz BKWJMOGXAUDBDE-ZDUSSCGKSA-N 1 2 340.383 2.545 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131230074 472658116 /nfs/dbraw/zinc/65/81/16/472658116.db2.gz YCMKWBKVYVQASO-HNNXBMFYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131230074 472658125 /nfs/dbraw/zinc/65/81/25/472658125.db2.gz YCMKWBKVYVQASO-HNNXBMFYSA-N 1 2 329.356 2.565 20 5 EFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000120361010 472674943 /nfs/dbraw/zinc/67/49/43/472674943.db2.gz FOYZSTXPFYCOGK-AATRIKPKSA-N 1 2 326.356 2.668 20 5 EFBDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000047259176 472679228 /nfs/dbraw/zinc/67/92/28/472679228.db2.gz ZDGNXPGETJKTSI-JTQLQIEISA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000047259176 472679232 /nfs/dbraw/zinc/67/92/32/472679232.db2.gz ZDGNXPGETJKTSI-JTQLQIEISA-N 1 2 334.401 2.819 20 5 EFBDLO COC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104661715 472680317 /nfs/dbraw/zinc/68/03/17/472680317.db2.gz JHDQGJSWLHUHNF-UHFFFAOYSA-N 1 2 336.388 2.767 20 5 EFBDLO NC(=O)c1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000047265925 472680929 /nfs/dbraw/zinc/68/09/29/472680929.db2.gz HXCPKTWNRNZXSN-UHFFFAOYSA-N 1 2 331.397 2.920 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000047265925 472680938 /nfs/dbraw/zinc/68/09/38/472680938.db2.gz HXCPKTWNRNZXSN-UHFFFAOYSA-N 1 2 331.397 2.920 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000104678096 472681964 /nfs/dbraw/zinc/68/19/64/472681964.db2.gz OIXSTCWUCKLYNM-SECBINFHSA-N 1 2 349.309 2.815 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000104678096 472681970 /nfs/dbraw/zinc/68/19/70/472681970.db2.gz OIXSTCWUCKLYNM-SECBINFHSA-N 1 2 349.309 2.815 20 5 EFBDLO COC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000104676792 472682593 /nfs/dbraw/zinc/68/25/93/472682593.db2.gz LJPUPSNTWKCJPG-UHFFFAOYSA-N 1 2 347.371 2.676 20 5 EFBDLO COC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000104676792 472682598 /nfs/dbraw/zinc/68/25/98/472682598.db2.gz LJPUPSNTWKCJPG-UHFFFAOYSA-N 1 2 347.371 2.676 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(CC(F)F)CC3)nc2c1 ZINC000091083964 472700300 /nfs/dbraw/zinc/70/03/00/472700300.db2.gz SNBYOHUYQBJYLX-UHFFFAOYSA-N 1 2 340.330 2.509 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(CC(F)F)CC3)nc2c1 ZINC000091083964 472700303 /nfs/dbraw/zinc/70/03/03/472700303.db2.gz SNBYOHUYQBJYLX-UHFFFAOYSA-N 1 2 340.330 2.509 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000105199350 472733043 /nfs/dbraw/zinc/73/30/43/472733043.db2.gz QEHCLPCDMZHPPS-UHFFFAOYSA-N 1 2 343.387 2.681 20 5 EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000091211759 472736724 /nfs/dbraw/zinc/73/67/24/472736724.db2.gz RDTBKFUMMDFNKL-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO Cc1cnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078629140 472745048 /nfs/dbraw/zinc/74/50/48/472745048.db2.gz NTJHDQMCXKQCLK-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157111353 472786846 /nfs/dbraw/zinc/78/68/46/472786846.db2.gz GRGXFSMMCOLDIQ-GFCCVEGCSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000157111353 472786854 /nfs/dbraw/zinc/78/68/54/472786854.db2.gz GRGXFSMMCOLDIQ-GFCCVEGCSA-N 1 2 339.367 2.833 20 5 EFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000121260952 472825136 /nfs/dbraw/zinc/82/51/36/472825136.db2.gz KOXRDKQKMZVOAQ-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000121260952 472825141 /nfs/dbraw/zinc/82/51/41/472825141.db2.gz KOXRDKQKMZVOAQ-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157608766 472839656 /nfs/dbraw/zinc/83/96/56/472839656.db2.gz MEWOZCGHIIKNTN-UHFFFAOYSA-N 1 2 337.420 2.740 20 5 EFBDLO CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000157847730 472865407 /nfs/dbraw/zinc/86/54/07/472865407.db2.gz JMSDSUZASHBOTO-UHFFFAOYSA-N 1 2 329.356 2.519 20 5 EFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)cc1OC ZINC000107291925 472939255 /nfs/dbraw/zinc/93/92/55/472939255.db2.gz URFLSWAACPKYAJ-UHFFFAOYSA-N 1 2 331.328 2.958 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158563888 472947316 /nfs/dbraw/zinc/94/73/16/472947316.db2.gz VVBWQLARHYXBPM-UHFFFAOYSA-N 1 2 339.355 2.502 20 5 EFBDLO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000079954929 472949589 /nfs/dbraw/zinc/94/95/89/472949589.db2.gz QTAAXQSFWURGJI-KRWDZBQOSA-N 1 2 343.383 2.777 20 5 EFBDLO Cc1c(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000079954929 472949596 /nfs/dbraw/zinc/94/95/96/472949596.db2.gz QTAAXQSFWURGJI-KRWDZBQOSA-N 1 2 343.383 2.777 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cnn(C)c1 ZINC000049972187 472968916 /nfs/dbraw/zinc/96/89/16/472968916.db2.gz KBNUNNXMCOPZHQ-LLVKDONJSA-N 1 2 342.359 2.571 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cnn(C)c1 ZINC000049972187 472968924 /nfs/dbraw/zinc/96/89/24/472968924.db2.gz KBNUNNXMCOPZHQ-LLVKDONJSA-N 1 2 342.359 2.571 20 5 EFBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092784492 472983808 /nfs/dbraw/zinc/98/38/08/472983808.db2.gz XUVZATLTDLEALO-UHFFFAOYSA-N 1 2 335.404 2.558 20 5 EFBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092784492 472983815 /nfs/dbraw/zinc/98/38/15/472983815.db2.gz XUVZATLTDLEALO-UHFFFAOYSA-N 1 2 335.404 2.558 20 5 EFBDLO Cc1cccn2cc(CNc3nc4sccn4c3[N+](=O)[O-])[nH+]c12 ZINC000092826036 472995237 /nfs/dbraw/zinc/99/52/37/472995237.db2.gz YFXZGGZRAAQCTH-UHFFFAOYSA-N 1 2 328.357 2.872 20 5 EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000065737784 473004404 /nfs/dbraw/zinc/00/44/04/473004404.db2.gz UVVFPYSDZPXFGD-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000050931482 473013446 /nfs/dbraw/zinc/01/34/46/473013446.db2.gz MQVMSXUVJZHJPT-UHFFFAOYSA-N 1 2 334.351 2.661 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000050965372 473017188 /nfs/dbraw/zinc/01/71/88/473017188.db2.gz WQFIEZNBTHZMRJ-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218492 473038004 /nfs/dbraw/zinc/03/80/04/473038004.db2.gz ZBPDIAATAZGHBH-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218492 473038009 /nfs/dbraw/zinc/03/80/09/473038009.db2.gz ZBPDIAATAZGHBH-AWEZNQCLSA-N 1 2 331.416 2.960 20 5 EFBDLO Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000080585068 473051523 /nfs/dbraw/zinc/05/15/23/473051523.db2.gz AAMVYYDYGIUXHG-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000080585068 473051528 /nfs/dbraw/zinc/05/15/28/473051528.db2.gz AAMVYYDYGIUXHG-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093233827 473065436 /nfs/dbraw/zinc/06/54/36/473065436.db2.gz KGFZQWUSBWQOPQ-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093233827 473065441 /nfs/dbraw/zinc/06/54/41/473065441.db2.gz KGFZQWUSBWQOPQ-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO CC(C)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000135415597 473068942 /nfs/dbraw/zinc/06/89/42/473068942.db2.gz CJVLHVNOQSVXLJ-UHFFFAOYSA-N 1 2 343.330 2.868 20 5 EFBDLO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000135415597 473068947 /nfs/dbraw/zinc/06/89/47/473068947.db2.gz CJVLHVNOQSVXLJ-UHFFFAOYSA-N 1 2 343.330 2.868 20 5 EFBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093280907 473073044 /nfs/dbraw/zinc/07/30/44/473073044.db2.gz UFGBUXYZUHDUGD-ZDUSSCGKSA-N 1 2 349.431 2.675 20 5 EFBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093280907 473073049 /nfs/dbraw/zinc/07/30/49/473073049.db2.gz UFGBUXYZUHDUGD-ZDUSSCGKSA-N 1 2 349.431 2.675 20 5 EFBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(O)c1 ZINC000080925023 473101967 /nfs/dbraw/zinc/10/19/67/473101967.db2.gz QDUHGSDFZFOVNK-UHFFFAOYSA-N 1 2 340.339 2.982 20 5 EFBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(O)c1 ZINC000080925023 473101972 /nfs/dbraw/zinc/10/19/72/473101972.db2.gz QDUHGSDFZFOVNK-UHFFFAOYSA-N 1 2 340.339 2.982 20 5 EFBDLO CC(C)c1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093421004 473108358 /nfs/dbraw/zinc/10/83/58/473108358.db2.gz WNJFELGFAQEBNW-CHWSQXEVSA-N 1 2 342.461 2.972 20 5 EFBDLO CC(C)c1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093421004 473108364 /nfs/dbraw/zinc/10/83/64/473108364.db2.gz WNJFELGFAQEBNW-CHWSQXEVSA-N 1 2 342.461 2.972 20 5 EFBDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000093663379 473130856 /nfs/dbraw/zinc/13/08/56/473130856.db2.gz AUZFSWVEDSRVKD-GQCTYLIASA-N 1 2 345.428 2.590 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000136184595 473140866 /nfs/dbraw/zinc/14/08/66/473140866.db2.gz LSCILDZPUBMBFZ-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000052954236 473166714 /nfs/dbraw/zinc/16/67/14/473166714.db2.gz FTGYLCPPMPMLII-UHFFFAOYSA-N 1 2 330.369 2.815 20 5 EFBDLO CSC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075365363 473176939 /nfs/dbraw/zinc/17/69/39/473176939.db2.gz PDYNELPZWQGXPU-UHFFFAOYSA-N 1 2 334.401 2.652 20 5 EFBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000177509023 473392967 /nfs/dbraw/zinc/39/29/67/473392967.db2.gz UCYHNRHIIXCPGX-UHFFFAOYSA-N 1 2 334.401 2.972 20 5 EFBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000177509023 473392975 /nfs/dbraw/zinc/39/29/75/473392975.db2.gz UCYHNRHIIXCPGX-UHFFFAOYSA-N 1 2 334.401 2.972 20 5 EFBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000125487119 473417573 /nfs/dbraw/zinc/41/75/73/473417573.db2.gz WLIPWHNNUSPPHI-KRWDZBQOSA-N 1 2 328.368 2.511 20 5 EFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171726771 473446995 /nfs/dbraw/zinc/44/69/95/473446995.db2.gz LXZWKUCCWCPEGP-AWEZNQCLSA-N 1 2 329.360 2.755 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000178225782 473477279 /nfs/dbraw/zinc/47/72/79/473477279.db2.gz LRNWQUOVMZHYRB-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000126012664 473479578 /nfs/dbraw/zinc/47/95/78/473479578.db2.gz PHDWDAOVOPQDCB-UHFFFAOYSA-N 1 2 336.351 2.985 20 5 EFBDLO CC(C)n1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000172012124 473500894 /nfs/dbraw/zinc/50/08/94/473500894.db2.gz WXAIVDWHXSSIDQ-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO Cc1c(Br)c(N[C@@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000165742568 473515316 /nfs/dbraw/zinc/51/53/16/473515316.db2.gz QRFDDQFDCZKBOD-QMMMGPOBSA-N 1 2 340.181 2.758 20 5 EFBDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000172078365 473517798 /nfs/dbraw/zinc/51/77/98/473517798.db2.gz WSFTXIAHBGALCS-UHFFFAOYSA-N 1 2 335.385 2.943 20 5 EFBDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000185836583 473527152 /nfs/dbraw/zinc/52/71/52/473527152.db2.gz KXQNZADYZCXCST-UHFFFAOYSA-N 1 2 341.415 2.830 20 5 EFBDLO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154401 473536645 /nfs/dbraw/zinc/53/66/45/473536645.db2.gz DASAOZYTGHAXCG-CYBMUJFWSA-N 1 2 347.440 2.836 20 5 EFBDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154401 473536651 /nfs/dbraw/zinc/53/66/51/473536651.db2.gz DASAOZYTGHAXCG-CYBMUJFWSA-N 1 2 347.440 2.836 20 5 EFBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)C1CC1 ZINC000172175618 473541799 /nfs/dbraw/zinc/54/17/99/473541799.db2.gz BAXIBHBCVKRCNC-UHFFFAOYSA-N 1 2 337.807 2.739 20 5 EFBDLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178723142 473549120 /nfs/dbraw/zinc/54/91/20/473549120.db2.gz QYOMNSXPMLNSNJ-INIZCTEOSA-N 1 2 329.356 2.734 20 5 EFBDLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178723142 473549127 /nfs/dbraw/zinc/54/91/27/473549127.db2.gz QYOMNSXPMLNSNJ-INIZCTEOSA-N 1 2 329.356 2.734 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152425347 473561879 /nfs/dbraw/zinc/56/18/79/473561879.db2.gz CWJFHOCVNLAERF-UHFFFAOYSA-N 1 2 328.372 2.763 20 5 EFBDLO CN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000127352975 473602463 /nfs/dbraw/zinc/60/24/63/473602463.db2.gz ZBHYPCQWGGIXPT-UHFFFAOYSA-N 1 2 331.397 2.597 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000127352975 473602469 /nfs/dbraw/zinc/60/24/69/473602469.db2.gz ZBHYPCQWGGIXPT-UHFFFAOYSA-N 1 2 331.397 2.597 20 5 EFBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000172415440 473603621 /nfs/dbraw/zinc/60/36/21/473603621.db2.gz PLNDRGZQZPLDLB-UHFFFAOYSA-N 1 2 338.367 2.995 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192016986 473608111 /nfs/dbraw/zinc/60/81/11/473608111.db2.gz ZQJMFWYOUQQVFY-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127486216 473618384 /nfs/dbraw/zinc/61/83/84/473618384.db2.gz YVKXJJWHKQIAGG-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127486216 473618393 /nfs/dbraw/zinc/61/83/93/473618393.db2.gz YVKXJJWHKQIAGG-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000127712707 473642713 /nfs/dbraw/zinc/64/27/13/473642713.db2.gz KEPYZORJACLFIZ-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000127712707 473642719 /nfs/dbraw/zinc/64/27/19/473642719.db2.gz KEPYZORJACLFIZ-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179174110 473646645 /nfs/dbraw/zinc/64/66/45/473646645.db2.gz FQLYAOVMMYMLNZ-UHFFFAOYSA-N 1 2 343.387 2.556 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000192256015 473658053 /nfs/dbraw/zinc/65/80/53/473658053.db2.gz WHBCKHYQNDQPEH-UHFFFAOYSA-N 1 2 330.388 2.906 20 5 EFBDLO COCC[C@@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179262052 473665214 /nfs/dbraw/zinc/66/52/14/473665214.db2.gz HLQBHIBOBIJASX-QGZVFWFLSA-N 1 2 346.387 2.560 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172888859 473697812 /nfs/dbraw/zinc/69/78/12/473697812.db2.gz SEYMUVWCLRFIGZ-INIZCTEOSA-N 1 2 339.391 2.793 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172888859 473697815 /nfs/dbraw/zinc/69/78/15/473697815.db2.gz SEYMUVWCLRFIGZ-INIZCTEOSA-N 1 2 339.391 2.793 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000269122675 473700837 /nfs/dbraw/zinc/70/08/37/473700837.db2.gz FJXBNRZRUJAFLX-UHFFFAOYSA-N 1 2 336.779 2.536 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000179668228 473706014 /nfs/dbraw/zinc/70/60/14/473706014.db2.gz YEQWJPSPUJXULH-GFCCVEGCSA-N 1 2 338.367 2.693 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000274029953 473710579 /nfs/dbraw/zinc/71/05/79/473710579.db2.gz WVDPNTCMDDMPDG-ZDUSSCGKSA-N 1 2 338.371 2.712 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179801398 473729663 /nfs/dbraw/zinc/72/96/63/473729663.db2.gz PQJQBTBNLHOPBL-MRXNPFEDSA-N 1 2 332.356 2.702 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179801398 473729668 /nfs/dbraw/zinc/72/96/68/473729668.db2.gz PQJQBTBNLHOPBL-MRXNPFEDSA-N 1 2 332.356 2.702 20 5 EFBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269274339 473758822 /nfs/dbraw/zinc/75/88/22/473758822.db2.gz KQXRWVCDLBJOSR-UHFFFAOYSA-N 1 2 348.852 2.893 20 5 EFBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269274339 473758826 /nfs/dbraw/zinc/75/88/26/473758826.db2.gz KQXRWVCDLBJOSR-UHFFFAOYSA-N 1 2 348.852 2.893 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000173210012 473771061 /nfs/dbraw/zinc/77/10/61/473771061.db2.gz FASXHKRBEOPZDP-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000173210012 473771068 /nfs/dbraw/zinc/77/10/68/473771068.db2.gz FASXHKRBEOPZDP-UHFFFAOYSA-N 1 2 345.424 2.753 20 5 EFBDLO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000269329230 473774760 /nfs/dbraw/zinc/77/47/60/473774760.db2.gz DXQSRXRRIIELBI-SNVBAGLBSA-N 1 2 332.364 2.532 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000269329230 473774766 /nfs/dbraw/zinc/77/47/66/473774766.db2.gz DXQSRXRRIIELBI-SNVBAGLBSA-N 1 2 332.364 2.532 20 5 EFBDLO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269331224 473776645 /nfs/dbraw/zinc/77/66/45/473776645.db2.gz IEVOIOHVGIZBTG-SMDDNHRTSA-N 1 2 348.428 2.885 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784227 /nfs/dbraw/zinc/78/42/27/473784227.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784235 /nfs/dbraw/zinc/78/42/35/473784235.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784240 /nfs/dbraw/zinc/78/42/40/473784240.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784248 /nfs/dbraw/zinc/78/42/48/473784248.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784251 /nfs/dbraw/zinc/78/42/51/473784251.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784257 /nfs/dbraw/zinc/78/42/57/473784257.db2.gz RGBOMIHPMYHDOT-NSHDSACASA-N 1 2 349.366 2.549 20 5 EFBDLO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000180043712 473785059 /nfs/dbraw/zinc/78/50/59/473785059.db2.gz GWILRKWGGVBRJU-LSDHHAIUSA-N 1 2 338.404 2.584 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000263975248 473924383 /nfs/dbraw/zinc/92/43/83/473924383.db2.gz NUIBAFDSPSWYLL-AWEZNQCLSA-N 1 2 348.428 2.845 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264549734 474033851 /nfs/dbraw/zinc/03/38/51/474033851.db2.gz RQJDMLKZQYNHAU-UHFFFAOYSA-N 1 2 343.387 2.628 20 5 EFBDLO COc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000270283927 474058357 /nfs/dbraw/zinc/05/83/57/474058357.db2.gz KEAWJGZUUVXLRK-UHFFFAOYSA-N 1 2 329.360 2.827 20 5 EFBDLO COc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000270283927 474058363 /nfs/dbraw/zinc/05/83/63/474058363.db2.gz KEAWJGZUUVXLRK-UHFFFAOYSA-N 1 2 329.360 2.827 20 5 EFBDLO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181885810 474067231 /nfs/dbraw/zinc/06/72/31/474067231.db2.gz WKAVWHZYKYFKTI-ZDUSSCGKSA-N 1 2 335.404 2.542 20 5 EFBDLO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181885810 474067235 /nfs/dbraw/zinc/06/72/35/474067235.db2.gz WKAVWHZYKYFKTI-ZDUSSCGKSA-N 1 2 335.404 2.542 20 5 EFBDLO CCc1nn(C)c(NCCc2[nH+]c3ccc(F)cc3n2C)c1[N+](=O)[O-] ZINC000288942189 474097943 /nfs/dbraw/zinc/09/79/43/474097943.db2.gz RNZVDKXWVIDEPN-UHFFFAOYSA-N 1 2 346.366 2.571 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2occc2C1 ZINC000288953814 474102157 /nfs/dbraw/zinc/10/21/57/474102157.db2.gz XSVUPGIDESBXRM-GFCCVEGCSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCc2occc2C1 ZINC000288953814 474102164 /nfs/dbraw/zinc/10/21/64/474102164.db2.gz XSVUPGIDESBXRM-GFCCVEGCSA-N 1 2 329.356 2.963 20 5 EFBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000270439074 474119632 /nfs/dbraw/zinc/11/96/32/474119632.db2.gz FGRVYPVBNAPFLE-SWLSCSKDSA-N 1 2 328.372 2.567 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000198878183 474120662 /nfs/dbraw/zinc/12/06/62/474120662.db2.gz WGCGXCLBNKHCHB-AWEZNQCLSA-N 1 2 344.302 2.580 20 5 EFBDLO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)[NH+]1CCOCC1 ZINC000264768861 474121260 /nfs/dbraw/zinc/12/12/60/474121260.db2.gz NVSMALMTWZQIPN-GFCCVEGCSA-N 1 2 344.371 2.568 20 5 EFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000182202868 474121347 /nfs/dbraw/zinc/12/13/47/474121347.db2.gz LAZBLEUQDJDJSK-JTQLQIEISA-N 1 2 349.293 2.663 20 5 EFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000270462615 474128736 /nfs/dbraw/zinc/12/87/36/474128736.db2.gz GLEYQZNMQNPMEL-OAHLLOKOSA-N 1 2 343.387 2.797 20 5 EFBDLO COc1ccc([C@H](CCO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000182403142 474168086 /nfs/dbraw/zinc/16/80/86/474168086.db2.gz DFBUGNWQZALIBR-INIZCTEOSA-N 1 2 334.347 2.956 20 5 EFBDLO COc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000270561748 474170407 /nfs/dbraw/zinc/17/04/07/474170407.db2.gz LGXYNEBHEVHIDK-OAHLLOKOSA-N 1 2 341.383 2.511 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC34CCCC4)n2)cc1 ZINC000270693014 474223830 /nfs/dbraw/zinc/22/38/30/474223830.db2.gz WMUBMNWNACIOHP-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC34CCCC4)n2)cc1 ZINC000270693014 474223836 /nfs/dbraw/zinc/22/38/36/474223836.db2.gz WMUBMNWNACIOHP-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289387082 474248012 /nfs/dbraw/zinc/24/80/12/474248012.db2.gz QOGVRDXZIVCHMQ-OAHLLOKOSA-N 1 2 340.383 2.808 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289387082 474248018 /nfs/dbraw/zinc/24/80/18/474248018.db2.gz QOGVRDXZIVCHMQ-OAHLLOKOSA-N 1 2 340.383 2.808 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000608800196 480095379 /nfs/dbraw/zinc/09/53/79/480095379.db2.gz IGTCQWNFUZSZOC-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000608800196 480095382 /nfs/dbraw/zinc/09/53/82/480095382.db2.gz IGTCQWNFUZSZOC-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO CN(Cc1[nH+]ccn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000270907511 474315318 /nfs/dbraw/zinc/31/53/18/474315318.db2.gz GPLYYBUWGOVBET-UHFFFAOYSA-N 1 2 325.166 2.727 20 5 EFBDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553001 474321378 /nfs/dbraw/zinc/32/13/78/474321378.db2.gz DKRXAMMNHZVYIL-MRVPVSSYSA-N 1 2 332.187 2.599 20 5 EFBDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289553001 474321382 /nfs/dbraw/zinc/32/13/82/474321382.db2.gz DKRXAMMNHZVYIL-MRVPVSSYSA-N 1 2 332.187 2.599 20 5 EFBDLO C[S@@](=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000183089508 474323729 /nfs/dbraw/zinc/32/37/29/474323729.db2.gz BOIFZARYXAPVCP-NPMXOYFQSA-N 1 2 336.388 2.943 20 5 EFBDLO C[S@](=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000183089569 474324005 /nfs/dbraw/zinc/32/40/05/474324005.db2.gz BOIFZARYXAPVCP-CMJOXMDJSA-N 1 2 336.388 2.943 20 5 EFBDLO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000265774215 474332700 /nfs/dbraw/zinc/33/27/00/474332700.db2.gz FLTMAJHBDJXCLK-OLZOCXBDSA-N 1 2 348.428 2.724 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289640538 474356655 /nfs/dbraw/zinc/35/66/55/474356655.db2.gz FOTPPWBSNZLVHW-LSDHHAIUSA-N 1 2 335.360 2.892 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289640538 474356664 /nfs/dbraw/zinc/35/66/64/474356664.db2.gz FOTPPWBSNZLVHW-LSDHHAIUSA-N 1 2 335.360 2.892 20 5 EFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1Br ZINC000271000842 474361498 /nfs/dbraw/zinc/36/14/98/474361498.db2.gz YHGUUVZEBVXZKZ-UHFFFAOYSA-N 1 2 325.166 2.727 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000265923816 474387389 /nfs/dbraw/zinc/38/73/89/474387389.db2.gz KSOJYWMLASTAPH-AWEZNQCLSA-N 1 2 345.403 2.502 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000283437131 474403241 /nfs/dbraw/zinc/40/32/41/474403241.db2.gz CQKIJQBXHAZWEW-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)c3ccccc3F)C2)cc1 ZINC000189462369 474406798 /nfs/dbraw/zinc/40/67/98/474406798.db2.gz FPGYJENNQVLYMB-KRWDZBQOSA-N 1 2 332.331 2.531 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000176213327 474413215 /nfs/dbraw/zinc/41/32/15/474413215.db2.gz NNIDXKZKVYFBKM-AWEZNQCLSA-N 1 2 336.779 2.518 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000176213327 474413219 /nfs/dbraw/zinc/41/32/19/474413219.db2.gz NNIDXKZKVYFBKM-AWEZNQCLSA-N 1 2 336.779 2.518 20 5 EFBDLO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289776522 474422521 /nfs/dbraw/zinc/42/25/21/474422521.db2.gz KRZVNPZGIUFKCL-UHFFFAOYSA-N 1 2 334.203 2.989 20 5 EFBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289776522 474422527 /nfs/dbraw/zinc/42/25/27/474422527.db2.gz KRZVNPZGIUFKCL-UHFFFAOYSA-N 1 2 334.203 2.989 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289816412 474440497 /nfs/dbraw/zinc/44/04/97/474440497.db2.gz NUUNMKZFSBTCMJ-QWRGUYRKSA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289816412 474440504 /nfs/dbraw/zinc/44/05/04/474440504.db2.gz NUUNMKZFSBTCMJ-QWRGUYRKSA-N 1 2 327.331 2.899 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000189585113 474443962 /nfs/dbraw/zinc/44/39/62/474443962.db2.gz QNNAIPVNRMSKCT-UHFFFAOYSA-N 1 2 349.431 2.559 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000189585113 474443968 /nfs/dbraw/zinc/44/39/68/474443968.db2.gz QNNAIPVNRMSKCT-UHFFFAOYSA-N 1 2 349.431 2.559 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000189701667 474466159 /nfs/dbraw/zinc/46/61/59/474466159.db2.gz WKXCWHPYDWXKSM-UHFFFAOYSA-N 1 2 349.431 2.559 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000189701667 474466169 /nfs/dbraw/zinc/46/61/69/474466169.db2.gz WKXCWHPYDWXKSM-UHFFFAOYSA-N 1 2 349.431 2.559 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C ZINC000266844811 474500947 /nfs/dbraw/zinc/50/09/47/474500947.db2.gz AJJDNOIMQOPXRX-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289972391 474508673 /nfs/dbraw/zinc/50/86/73/474508673.db2.gz XHCMMFAUHGTOMM-WQVCFCJDSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289972391 474508677 /nfs/dbraw/zinc/50/86/77/474508677.db2.gz XHCMMFAUHGTOMM-WQVCFCJDSA-N 1 2 347.415 2.811 20 5 EFBDLO CCc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000266910082 474526847 /nfs/dbraw/zinc/52/68/47/474526847.db2.gz GYZALMUHCMACRP-UHFFFAOYSA-N 1 2 328.372 2.900 20 5 EFBDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290061794 474544712 /nfs/dbraw/zinc/54/47/12/474544712.db2.gz SPEBYEMLGBIVJR-UHFFFAOYSA-N 1 2 334.203 2.845 20 5 EFBDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290061794 474544716 /nfs/dbraw/zinc/54/47/16/474544716.db2.gz SPEBYEMLGBIVJR-UHFFFAOYSA-N 1 2 334.203 2.845 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000283999725 474547516 /nfs/dbraw/zinc/54/75/16/474547516.db2.gz GRORQXOQOMXYDQ-KRWDZBQOSA-N 1 2 343.339 2.595 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000283999725 474547519 /nfs/dbraw/zinc/54/75/19/474547519.db2.gz GRORQXOQOMXYDQ-KRWDZBQOSA-N 1 2 343.339 2.595 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249371153 474562507 /nfs/dbraw/zinc/56/25/07/474562507.db2.gz BNLIMMOLLXEIOJ-CHWSQXEVSA-N 1 2 343.387 2.525 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249371153 474562513 /nfs/dbraw/zinc/56/25/13/474562513.db2.gz BNLIMMOLLXEIOJ-CHWSQXEVSA-N 1 2 343.387 2.525 20 5 EFBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267079712 474584895 /nfs/dbraw/zinc/58/48/95/474584895.db2.gz XSHZRACAPZKBJD-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267079712 474584903 /nfs/dbraw/zinc/58/49/03/474584903.db2.gz XSHZRACAPZKBJD-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000184708659 474590826 /nfs/dbraw/zinc/59/08/26/474590826.db2.gz MUPWGIOUFYYGFX-SECBINFHSA-N 1 2 334.401 2.563 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609131278 480114866 /nfs/dbraw/zinc/11/48/66/480114866.db2.gz LSBVFLKWIMDOMF-GFCCVEGCSA-N 1 2 346.412 2.991 20 5 EFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184806082 474611828 /nfs/dbraw/zinc/61/18/28/474611828.db2.gz XFFZVOVJYSWSPX-CQSZACIVSA-N 1 2 347.371 2.666 20 5 EFBDLO C[C@H]([C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000278425213 474640851 /nfs/dbraw/zinc/64/08/51/474640851.db2.gz OZZJPYQFHZMNPL-VHSXEESVSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267352577 474655784 /nfs/dbraw/zinc/65/57/84/474655784.db2.gz GCCRZYKRMZIBKC-AWEZNQCLSA-N 1 2 340.383 2.509 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c(F)c1 ZINC000267377298 474665748 /nfs/dbraw/zinc/66/57/48/474665748.db2.gz UBZCWYCEEZHHMF-UHFFFAOYSA-N 1 2 345.374 2.757 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000292901857 474704649 /nfs/dbraw/zinc/70/46/49/474704649.db2.gz BTUJDWPHUWOGHH-VXGBXAGGSA-N 1 2 325.796 2.548 20 5 EFBDLO CC(C)[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1[nH]cc[nH+]1 ZINC000278588506 474721503 /nfs/dbraw/zinc/72/15/03/474721503.db2.gz KDQRYMYYLZVOOY-AWEZNQCLSA-N 1 2 327.344 2.926 20 5 EFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340874245 474737316 /nfs/dbraw/zinc/73/73/16/474737316.db2.gz RMHPZGADEGWVAD-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340874245 474737321 /nfs/dbraw/zinc/73/73/21/474737321.db2.gz RMHPZGADEGWVAD-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000338926002 474738850 /nfs/dbraw/zinc/73/88/50/474738850.db2.gz NWAJPNABUGYPOY-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000338926002 474738858 /nfs/dbraw/zinc/73/88/58/474738858.db2.gz NWAJPNABUGYPOY-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@]3(CO)CCc4ccccc43)nc2c1 ZINC000305719965 474756521 /nfs/dbraw/zinc/75/65/21/474756521.db2.gz JFRXDBDHPILKDR-SFHVURJKSA-N 1 2 339.351 2.660 20 5 EFBDLO C[C@H](CS(C)(=O)=O)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000254991318 474784468 /nfs/dbraw/zinc/78/44/68/474784468.db2.gz GBTXPEQAYDWIFZ-SCXUMTSISA-N 1 2 338.429 2.506 20 5 EFBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000254991318 474784478 /nfs/dbraw/zinc/78/44/78/474784478.db2.gz GBTXPEQAYDWIFZ-SCXUMTSISA-N 1 2 338.429 2.506 20 5 EFBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000254991321 474784525 /nfs/dbraw/zinc/78/45/25/474784525.db2.gz GBTXPEQAYDWIFZ-VGVVRCBHSA-N 1 2 338.429 2.506 20 5 EFBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000254991321 474784533 /nfs/dbraw/zinc/78/45/33/474784533.db2.gz GBTXPEQAYDWIFZ-VGVVRCBHSA-N 1 2 338.429 2.506 20 5 EFBDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000293073808 474798204 /nfs/dbraw/zinc/79/82/04/474798204.db2.gz ZUQZVWUWRRKCER-VIFPVBQESA-N 1 2 339.193 2.942 20 5 EFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997569 474817666 /nfs/dbraw/zinc/81/76/66/474817666.db2.gz FJDPRVXAKGGSHA-CABCVRRESA-N 1 2 340.383 2.854 20 5 EFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997569 474817672 /nfs/dbraw/zinc/81/76/72/474817672.db2.gz FJDPRVXAKGGSHA-CABCVRRESA-N 1 2 340.383 2.854 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000339001727 474822003 /nfs/dbraw/zinc/82/20/03/474822003.db2.gz QNXUJSBLLDEPLQ-KGLIPLIRSA-N 1 2 332.429 2.901 20 5 EFBDLO Cc1ccoc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345060742 474857522 /nfs/dbraw/zinc/85/75/22/474857522.db2.gz MOPSKHHHBHTBPC-UHFFFAOYSA-N 1 2 340.339 2.954 20 5 EFBDLO CCCNC(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000339042826 474869341 /nfs/dbraw/zinc/86/93/41/474869341.db2.gz FIBHOOSNLYWMBO-UHFFFAOYSA-N 1 2 335.404 2.619 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000339059082 474890056 /nfs/dbraw/zinc/89/00/56/474890056.db2.gz FBJMXKCHVWDNGI-NSHDSACASA-N 1 2 336.335 2.523 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000339059082 474890064 /nfs/dbraw/zinc/89/00/64/474890064.db2.gz FBJMXKCHVWDNGI-NSHDSACASA-N 1 2 336.335 2.523 20 5 EFBDLO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000292206383 474904503 /nfs/dbraw/zinc/90/45/03/474904503.db2.gz MCCKNYOUBNXFOR-CHWSQXEVSA-N 1 2 348.321 2.670 20 5 EFBDLO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000292206383 474904509 /nfs/dbraw/zinc/90/45/09/474904509.db2.gz MCCKNYOUBNXFOR-CHWSQXEVSA-N 1 2 348.321 2.670 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000268381873 474949696 /nfs/dbraw/zinc/94/96/96/474949696.db2.gz NPVKDESOYDUFJY-CZUORRHYSA-N 1 2 328.372 2.823 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293434671 474980060 /nfs/dbraw/zinc/98/00/60/474980060.db2.gz SSPGVAVWXBBRRS-NSHDSACASA-N 1 2 347.396 2.795 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000339152870 474981281 /nfs/dbraw/zinc/98/12/81/474981281.db2.gz GDLAKVGGBSEVOI-ZDUSSCGKSA-N 1 2 340.738 2.916 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293442794 474981679 /nfs/dbraw/zinc/98/16/79/474981679.db2.gz ORIRJRLKYLQURT-LBPRGKRZSA-N 1 2 346.387 2.913 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293442794 474981688 /nfs/dbraw/zinc/98/16/88/474981688.db2.gz ORIRJRLKYLQURT-LBPRGKRZSA-N 1 2 346.387 2.913 20 5 EFBDLO Cc1nc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268443928 474981616 /nfs/dbraw/zinc/98/16/16/474981616.db2.gz DOJQNPXVJLWFQJ-LBPRGKRZSA-N 1 2 343.387 2.530 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293442791 474982164 /nfs/dbraw/zinc/98/21/64/474982164.db2.gz ORIRJRLKYLQURT-GFCCVEGCSA-N 1 2 346.387 2.913 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293442791 474982174 /nfs/dbraw/zinc/98/21/74/474982174.db2.gz ORIRJRLKYLQURT-GFCCVEGCSA-N 1 2 346.387 2.913 20 5 EFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292380563 474993969 /nfs/dbraw/zinc/99/39/69/474993969.db2.gz JOLORKCPDKVYRW-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292380563 474993972 /nfs/dbraw/zinc/99/39/72/474993972.db2.gz JOLORKCPDKVYRW-CYBMUJFWSA-N 1 2 341.367 2.816 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285410207 475011084 /nfs/dbraw/zinc/01/10/84/475011084.db2.gz UTIURWHZIFFVPC-UHFFFAOYSA-N 1 2 341.367 2.940 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285410207 475011090 /nfs/dbraw/zinc/01/10/90/475011090.db2.gz UTIURWHZIFFVPC-UHFFFAOYSA-N 1 2 341.367 2.940 20 5 EFBDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000292417902 475016863 /nfs/dbraw/zinc/01/68/63/475016863.db2.gz KMBKZCYXXZGNLQ-HNNXBMFYSA-N 1 2 340.445 2.735 20 5 EFBDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000292417902 475016869 /nfs/dbraw/zinc/01/68/69/475016869.db2.gz KMBKZCYXXZGNLQ-HNNXBMFYSA-N 1 2 340.445 2.735 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505683 475017831 /nfs/dbraw/zinc/01/78/31/475017831.db2.gz BYNHDPQXAKCEOA-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505683 475017835 /nfs/dbraw/zinc/01/78/35/475017835.db2.gz BYNHDPQXAKCEOA-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339194556 475026819 /nfs/dbraw/zinc/02/68/19/475026819.db2.gz DQRUTUGKHTURCR-UHFFFAOYSA-N 1 2 349.431 2.913 20 5 EFBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339194556 475026825 /nfs/dbraw/zinc/02/68/25/475026825.db2.gz DQRUTUGKHTURCR-UHFFFAOYSA-N 1 2 349.431 2.913 20 5 EFBDLO Cc1cc(N[C@H](C)CC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268817294 475043188 /nfs/dbraw/zinc/04/31/88/475043188.db2.gz OCNDABQROYZNTA-JNDILOIQSA-N 1 2 348.428 2.929 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000609313820 480143313 /nfs/dbraw/zinc/14/33/13/480143313.db2.gz JZHCEGQRQHVZCW-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000609313820 480143320 /nfs/dbraw/zinc/14/33/20/480143320.db2.gz JZHCEGQRQHVZCW-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO Cc1ccc(Cc2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)c[nH+]1 ZINC000273977499 475144485 /nfs/dbraw/zinc/14/44/85/475144485.db2.gz RBTHPFCLZPOGAP-UHFFFAOYSA-N 1 2 328.332 2.786 20 5 EFBDLO Cc1c(CC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295986399 475155702 /nfs/dbraw/zinc/15/57/02/475155702.db2.gz UJNITMURHXEIOP-INIZCTEOSA-N 1 2 342.399 2.789 20 5 EFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281314746 475166410 /nfs/dbraw/zinc/16/64/10/475166410.db2.gz IJBZMTSQNHEXLV-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281314746 475166417 /nfs/dbraw/zinc/16/64/17/475166417.db2.gz IJBZMTSQNHEXLV-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000341685971 475223190 /nfs/dbraw/zinc/22/31/90/475223190.db2.gz FCJHZWKTQYFNGZ-MRXNPFEDSA-N 1 2 328.372 2.528 20 5 EFBDLO CSc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341705974 475237712 /nfs/dbraw/zinc/23/77/12/475237712.db2.gz PIMIUUFFSQGXLV-CQSZACIVSA-N 1 2 346.412 2.931 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000352405679 475261686 /nfs/dbraw/zinc/26/16/86/475261686.db2.gz OHDYBVAGBKNUCB-CQSZACIVSA-N 1 2 329.404 2.505 20 5 EFBDLO Cc1cc(NCCc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352417840 475274332 /nfs/dbraw/zinc/27/43/32/475274332.db2.gz VGIODKNNKUYWNY-UHFFFAOYSA-N 1 2 335.367 2.832 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352439551 475297224 /nfs/dbraw/zinc/29/72/24/475297224.db2.gz WZHBAAIHBLLCMR-UHFFFAOYSA-N 1 2 337.282 2.828 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccccc3-n3cc[nH+]c3)c21 ZINC000347409406 475304794 /nfs/dbraw/zinc/30/47/94/475304794.db2.gz BTOAKFIBWQXRTD-UHFFFAOYSA-N 1 2 346.350 2.758 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cccc(-n4cc[nH+]c4)c3)c21 ZINC000347411212 475306098 /nfs/dbraw/zinc/30/60/98/475306098.db2.gz HZNSDEDPTWWPHU-UHFFFAOYSA-N 1 2 346.350 2.758 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339578686 475319827 /nfs/dbraw/zinc/31/98/27/475319827.db2.gz DZKJGSDOIVRJOC-SOFGYWHQSA-N 1 2 335.367 2.979 20 5 EFBDLO CC1(C)C[C@@H]([NH2+][C@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631496 475404606 /nfs/dbraw/zinc/40/46/06/475404606.db2.gz BJYMSZAUOGWISG-CVEARBPZSA-N 1 2 340.383 2.528 20 5 EFBDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352550503 475405347 /nfs/dbraw/zinc/40/53/47/475405347.db2.gz OAYQCBZLCUZIIF-LBPRGKRZSA-N 1 2 334.376 2.750 20 5 EFBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352550503 475405355 /nfs/dbraw/zinc/40/53/55/475405355.db2.gz OAYQCBZLCUZIIF-LBPRGKRZSA-N 1 2 334.376 2.750 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800501 475421288 /nfs/dbraw/zinc/42/12/88/475421288.db2.gz FDBAQNODJVSVEJ-LFAOLKIESA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800501 475421300 /nfs/dbraw/zinc/42/13/00/475421300.db2.gz FDBAQNODJVSVEJ-LFAOLKIESA-N 1 2 344.371 2.930 20 5 EFBDLO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000337919002 475432549 /nfs/dbraw/zinc/43/25/49/475432549.db2.gz WIETWYOXFSZVQW-UHFFFAOYSA-N 1 2 343.225 2.593 20 5 EFBDLO CC(C)[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000296694334 475433362 /nfs/dbraw/zinc/43/33/62/475433362.db2.gz KCVRJWUKVVCKKN-MRXNPFEDSA-N 1 2 344.371 2.794 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(Cl)s3)CC2)n1 ZINC000331867431 475439158 /nfs/dbraw/zinc/43/91/58/475439158.db2.gz DJVIJZDKJZAPMH-UHFFFAOYSA-N 1 2 327.797 2.738 20 5 EFBDLO COC(=O)c1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352620488 475464666 /nfs/dbraw/zinc/46/46/66/475464666.db2.gz DTMPYXPGDJYLBU-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO COC(=O)c1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352620488 475464673 /nfs/dbraw/zinc/46/46/73/475464673.db2.gz DTMPYXPGDJYLBU-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c[nH+]ccc1OC ZINC000296778424 475473078 /nfs/dbraw/zinc/47/30/78/475473078.db2.gz PJOQLUKMCWFYFL-UHFFFAOYSA-N 1 2 346.343 2.719 20 5 EFBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000341981978 475475202 /nfs/dbraw/zinc/47/52/02/475475202.db2.gz CLYYWUUDDNJGBL-IBGZPJMESA-N 1 2 325.412 2.954 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000341981978 475475213 /nfs/dbraw/zinc/47/52/13/475475213.db2.gz CLYYWUUDDNJGBL-IBGZPJMESA-N 1 2 325.412 2.954 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1[N+](=O)[O-] ZINC000352657047 475498868 /nfs/dbraw/zinc/49/88/68/475498868.db2.gz DSFVRCLURRZVAZ-UHFFFAOYSA-N 1 2 332.429 2.678 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352681512 475524500 /nfs/dbraw/zinc/52/45/00/475524500.db2.gz YAQTUOKGDBKFAD-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352681512 475524509 /nfs/dbraw/zinc/52/45/09/475524509.db2.gz YAQTUOKGDBKFAD-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000348314391 475584813 /nfs/dbraw/zinc/58/48/13/475584813.db2.gz BDRJTKCJWNUFAS-JTQLQIEISA-N 1 2 333.319 2.557 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000332355096 475611611 /nfs/dbraw/zinc/61/16/11/475611611.db2.gz TYGXFVSRWXVBIR-SUMWQHHRSA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000332355096 475611618 /nfs/dbraw/zinc/61/16/18/475611618.db2.gz TYGXFVSRWXVBIR-SUMWQHHRSA-N 1 2 330.388 2.637 20 5 EFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000332388275 475622793 /nfs/dbraw/zinc/62/27/93/475622793.db2.gz KIRBUZJDAQBUSH-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO CCc1ccc([C@@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346567906 475663625 /nfs/dbraw/zinc/66/36/25/475663625.db2.gz VQHQUXGVEDLOQN-UGSOOPFHSA-N 1 2 343.383 2.660 20 5 EFBDLO CCc1ccc([C@H]([NH2+][C@H]2CC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346567903 475663652 /nfs/dbraw/zinc/66/36/52/475663652.db2.gz VQHQUXGVEDLOQN-SCLBCKFNSA-N 1 2 343.383 2.660 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348540408 475740403 /nfs/dbraw/zinc/74/04/03/475740403.db2.gz GYKYZLQUFYJHEP-MRXNPFEDSA-N 1 2 341.367 2.989 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348540408 475740409 /nfs/dbraw/zinc/74/04/09/475740409.db2.gz GYKYZLQUFYJHEP-MRXNPFEDSA-N 1 2 341.367 2.989 20 5 EFBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348542695 475742787 /nfs/dbraw/zinc/74/27/87/475742787.db2.gz BKYSNNSOJMAETO-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348542695 475742796 /nfs/dbraw/zinc/74/27/96/475742796.db2.gz BKYSNNSOJMAETO-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000353193395 475758646 /nfs/dbraw/zinc/75/86/46/475758646.db2.gz MZMHBZMUFQNSHQ-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000353193395 475758657 /nfs/dbraw/zinc/75/86/57/475758657.db2.gz MZMHBZMUFQNSHQ-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000340117388 475772029 /nfs/dbraw/zinc/77/20/29/475772029.db2.gz OCKBXXVNKXFUMS-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000353216802 475777529 /nfs/dbraw/zinc/77/75/29/475777529.db2.gz VMFCJLBRWAEUQT-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000353216802 475777537 /nfs/dbraw/zinc/77/75/37/475777537.db2.gz VMFCJLBRWAEUQT-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO O=C(NCC1(C(F)F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000348769673 475859257 /nfs/dbraw/zinc/85/92/57/475859257.db2.gz MKQQFSAQRYTVDI-UHFFFAOYSA-N 1 2 336.298 2.556 20 5 EFBDLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)c([N+](=O)[O-])cc1OC ZINC000358767747 475919980 /nfs/dbraw/zinc/91/99/80/475919980.db2.gz JYFLMEVJPBNCAP-UHFFFAOYSA-N 1 2 342.311 2.512 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000343291620 475924931 /nfs/dbraw/zinc/92/49/31/475924931.db2.gz SAKBGCDXPBRDQE-MRXNPFEDSA-N 1 2 341.371 2.776 20 5 EFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340317322 475941953 /nfs/dbraw/zinc/94/19/53/475941953.db2.gz XFENFWQVCADJNW-INIZCTEOSA-N 1 2 341.346 2.774 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000355443188 475942230 /nfs/dbraw/zinc/94/22/30/475942230.db2.gz UIGXMYCAQXALIG-VIFPVBQESA-N 1 2 349.309 2.815 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355443188 475942237 /nfs/dbraw/zinc/94/22/37/475942237.db2.gz UIGXMYCAQXALIG-VIFPVBQESA-N 1 2 349.309 2.815 20 5 EFBDLO Cc1csc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000353448090 475976469 /nfs/dbraw/zinc/97/64/69/475976469.db2.gz NWMQNFLLGLBQSV-OAHLLOKOSA-N 1 2 343.412 2.972 20 5 EFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1csc([N+](=O)[O-])c1 ZINC000343353152 475978441 /nfs/dbraw/zinc/97/84/41/475978441.db2.gz SLYFVSFHYCSIEV-UHFFFAOYSA-N 1 2 329.341 2.548 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000343389484 476012241 /nfs/dbraw/zinc/01/22/41/476012241.db2.gz BXPXHQFDOQBHHG-OAHLLOKOSA-N 1 2 332.360 2.544 20 5 EFBDLO Cc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000362119527 476012877 /nfs/dbraw/zinc/01/28/77/476012877.db2.gz UYZURSZJGIWVHJ-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000358907367 476028652 /nfs/dbraw/zinc/02/86/52/476028652.db2.gz QFEOZIMAWYBAFT-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000358909406 476032119 /nfs/dbraw/zinc/03/21/19/476032119.db2.gz XMLNZRNDAHZZHX-UHFFFAOYSA-N 1 2 338.367 2.612 20 5 EFBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353517918 476039797 /nfs/dbraw/zinc/03/97/97/476039797.db2.gz KVYNHRBNXZJXSY-HZPDHXFCSA-N 1 2 332.404 2.678 20 5 EFBDLO Cn1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000353520303 476042911 /nfs/dbraw/zinc/04/29/11/476042911.db2.gz NYBOHHXELRZZOY-MRXNPFEDSA-N 1 2 325.372 2.546 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353531278 476051093 /nfs/dbraw/zinc/05/10/93/476051093.db2.gz NZSQELIXLFYSMR-HOTGVXAUSA-N 1 2 346.431 2.804 20 5 EFBDLO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343443145 476068637 /nfs/dbraw/zinc/06/86/37/476068637.db2.gz USXATGCWCSHTKU-BPUTZDHNSA-N 1 2 340.383 2.567 20 5 EFBDLO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343443148 476069248 /nfs/dbraw/zinc/06/92/48/476069248.db2.gz USXATGCWCSHTKU-CWRNSKLLSA-N 1 2 340.383 2.567 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000353579660 476096477 /nfs/dbraw/zinc/09/64/77/476096477.db2.gz XYNQURZRESHEMV-CQSZACIVSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000353579660 476096484 /nfs/dbraw/zinc/09/64/84/476096484.db2.gz XYNQURZRESHEMV-CQSZACIVSA-N 1 2 336.388 2.780 20 5 EFBDLO COc1ccc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353621793 476132396 /nfs/dbraw/zinc/13/23/96/476132396.db2.gz MXEXWGPODRIBQB-INIZCTEOSA-N 1 2 339.355 2.933 20 5 EFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353665401 476170482 /nfs/dbraw/zinc/17/04/82/476170482.db2.gz YRKIXMFROWZIIK-UHFFFAOYSA-N 1 2 337.339 2.833 20 5 EFBDLO Cn1c(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1[N+](=O)[O-] ZINC000340668414 476192083 /nfs/dbraw/zinc/19/20/83/476192083.db2.gz HJNDEVOICDHENB-UHFFFAOYSA-N 1 2 339.355 2.950 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000350461388 476194351 /nfs/dbraw/zinc/19/43/51/476194351.db2.gz NFUYANBHIVNPFR-DAXSKMNVSA-N 1 2 338.411 2.821 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000359107140 476195371 /nfs/dbraw/zinc/19/53/71/476195371.db2.gz JGZDYDOBHKXAHW-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347265798 476214790 /nfs/dbraw/zinc/21/47/90/476214790.db2.gz XHCPHKXIZHLBJO-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347265798 476214797 /nfs/dbraw/zinc/21/47/97/476214797.db2.gz XHCPHKXIZHLBJO-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347284397 476228958 /nfs/dbraw/zinc/22/89/58/476228958.db2.gz LJYBQGUVHFQERD-UHFFFAOYSA-N 1 2 329.291 2.703 20 5 EFBDLO CSc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000362420197 476233626 /nfs/dbraw/zinc/23/36/26/476233626.db2.gz QIPNZXMALUNVOY-UHFFFAOYSA-N 1 2 342.380 2.894 20 5 EFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000304049591 476263772 /nfs/dbraw/zinc/26/37/72/476263772.db2.gz KLLBOHLHTKKALL-KRWDZBQOSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000304049591 476263777 /nfs/dbraw/zinc/26/37/77/476263777.db2.gz KLLBOHLHTKKALL-KRWDZBQOSA-N 1 2 334.347 2.908 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000353813842 476285388 /nfs/dbraw/zinc/28/53/88/476285388.db2.gz HYOAEMSYBWNGJS-SFDCACGMSA-N 1 2 334.397 2.808 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000353813842 476285391 /nfs/dbraw/zinc/28/53/91/476285391.db2.gz HYOAEMSYBWNGJS-SFDCACGMSA-N 1 2 334.397 2.808 20 5 EFBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000353816351 476286631 /nfs/dbraw/zinc/28/66/31/476286631.db2.gz MCPFWXKHHPBNKX-YRNVUSSQSA-N 1 2 339.395 2.856 20 5 EFBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000353816351 476286638 /nfs/dbraw/zinc/28/66/38/476286638.db2.gz MCPFWXKHHPBNKX-YRNVUSSQSA-N 1 2 339.395 2.856 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362526798 476297673 /nfs/dbraw/zinc/29/76/73/476297673.db2.gz VIVNPNBHMCNTBW-NJELEJDNSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362526798 476297676 /nfs/dbraw/zinc/29/76/76/476297676.db2.gz VIVNPNBHMCNTBW-NJELEJDNSA-N 1 2 332.400 2.735 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000362728093 476372131 /nfs/dbraw/zinc/37/21/31/476372131.db2.gz LBYWIRHLZOFZHM-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)F)CC1 ZINC000362729119 476372652 /nfs/dbraw/zinc/37/26/52/476372652.db2.gz OAPIVRFTKILRNR-SNVBAGLBSA-N 1 2 327.331 2.899 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000362737319 476379534 /nfs/dbraw/zinc/37/95/34/476379534.db2.gz XSDDRWYUFUBIEN-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000357436291 476382587 /nfs/dbraw/zinc/38/25/87/476382587.db2.gz JJWADJVMEPDUJC-UHFFFAOYSA-N 1 2 325.328 2.683 20 5 EFBDLO O=C(C[N@@H+]1CCCc2occc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377489400 476415890 /nfs/dbraw/zinc/41/58/90/476415890.db2.gz JSRUAJXQGMMTFI-UHFFFAOYSA-N 1 2 341.367 2.525 20 5 EFBDLO O=C(C[N@H+]1CCCc2occc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377489400 476415895 /nfs/dbraw/zinc/41/58/95/476415895.db2.gz JSRUAJXQGMMTFI-UHFFFAOYSA-N 1 2 341.367 2.525 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354108676 476433098 /nfs/dbraw/zinc/43/30/98/476433098.db2.gz GKIYQWWFPQXOCF-CVEARBPZSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354108676 476433102 /nfs/dbraw/zinc/43/31/02/476433102.db2.gz GKIYQWWFPQXOCF-CVEARBPZSA-N 1 2 349.431 2.825 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360909138 476468886 /nfs/dbraw/zinc/46/88/86/476468886.db2.gz CTSMZPMJKJWJRF-UHFFFAOYSA-N 1 2 326.360 2.917 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000357611368 476488613 /nfs/dbraw/zinc/48/86/13/476488613.db2.gz GDJJNVYGPKLNLT-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000357611368 476488615 /nfs/dbraw/zinc/48/86/15/476488615.db2.gz GDJJNVYGPKLNLT-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374623600 476492222 /nfs/dbraw/zinc/49/22/22/476492222.db2.gz WTGXUISGDVKBHC-LLVKDONJSA-N 1 2 332.326 2.883 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374623600 476492226 /nfs/dbraw/zinc/49/22/26/476492226.db2.gz WTGXUISGDVKBHC-LLVKDONJSA-N 1 2 332.326 2.883 20 5 EFBDLO CNc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000360952289 476499058 /nfs/dbraw/zinc/49/90/58/476499058.db2.gz YTRIBNLJKTZEBB-SWLSCSKDSA-N 1 2 343.387 2.556 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)n2)cc1 ZINC000375005763 476631668 /nfs/dbraw/zinc/63/16/68/476631668.db2.gz UDJIXQOMMAOASD-CYBMUJFWSA-N 1 2 340.343 2.705 20 5 EFBDLO O=[N+]([O-])c1cc(Br)cnc1NCCNc1cccc[nH+]1 ZINC000354420778 476651201 /nfs/dbraw/zinc/65/12/01/476651201.db2.gz KIKSGTMFJPTATD-UHFFFAOYSA-N 1 2 338.165 2.671 20 5 EFBDLO Cc1cc(C)c(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000452041574 476790555 /nfs/dbraw/zinc/79/05/55/476790555.db2.gz MECYKMJLMXPOTL-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000393313809 476832939 /nfs/dbraw/zinc/83/29/39/476832939.db2.gz FNQKAXNVIXKVJS-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452127573 476845979 /nfs/dbraw/zinc/84/59/79/476845979.db2.gz SDDCJDFMFRZOQB-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401554673 476900082 /nfs/dbraw/zinc/90/00/82/476900082.db2.gz VBLGBPFMVDXSKI-SKDRFNHKSA-N 1 2 329.194 2.560 20 5 EFBDLO 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O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H]1CCCCO1 ZINC000447802785 477059791 /nfs/dbraw/zinc/05/97/91/477059791.db2.gz NUBJJBDVSWCLRN-MRXNPFEDSA-N 1 2 349.431 2.798 20 5 EFBDLO Cc1cncc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447814784 477064784 /nfs/dbraw/zinc/06/47/84/477064784.db2.gz BJYHFKCEKKZUPG-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCCOC2)O1 ZINC000366579433 477078269 /nfs/dbraw/zinc/07/82/69/477078269.db2.gz QWGQGLFSPWZSLG-YVEFUNNKSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCCOC2)O1 ZINC000366579433 477078273 /nfs/dbraw/zinc/07/82/73/477078273.db2.gz QWGQGLFSPWZSLG-YVEFUNNKSA-N 1 2 347.371 2.506 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000371020818 477085170 /nfs/dbraw/zinc/08/51/70/477085170.db2.gz ZKHOOYOVDDBGCG-HNNXBMFYSA-N 1 2 342.399 2.791 20 5 EFBDLO CCNc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000411015793 477090899 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329.360 2.740 20 5 EFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2c([N+](=O)[O-])c(C)nn2C)[nH+]1 ZINC000371247061 477197529 /nfs/dbraw/zinc/19/75/29/477197529.db2.gz JUDMLFYLZMVDAP-UHFFFAOYSA-N 1 2 340.343 2.588 20 5 EFBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1c(C)nn(C)c1C ZINC000453620303 477254682 /nfs/dbraw/zinc/25/46/82/477254682.db2.gz UNYJEAMLVKNMAO-UHFFFAOYSA-N 1 2 338.433 2.655 20 5 EFBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1c(C)nn(C)c1C ZINC000453620303 477254690 /nfs/dbraw/zinc/25/46/90/477254690.db2.gz UNYJEAMLVKNMAO-UHFFFAOYSA-N 1 2 338.433 2.655 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3c3[nH]cc[nH+]3)n2)c1 ZINC000371431948 477314846 /nfs/dbraw/zinc/31/48/46/477314846.db2.gz PRXJZTZACQIFRO-ZDUSSCGKSA-N 1 2 340.343 2.705 20 5 EFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000424200031 477326555 /nfs/dbraw/zinc/32/65/55/477326555.db2.gz LUEFDSPDIIQVTA-SNVBAGLBSA-N 1 2 335.385 2.997 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C 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342.399 2.870 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455174692 477530899 /nfs/dbraw/zinc/53/08/99/477530899.db2.gz VMXJGDVIHOIVOJ-SKDRFNHKSA-N 1 2 331.332 2.627 20 5 EFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000413122686 477532966 /nfs/dbraw/zinc/53/29/66/477532966.db2.gz KRSSUGMOBPWKRJ-ZJUUUORDSA-N 1 2 348.325 2.530 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC000413219982 477577080 /nfs/dbraw/zinc/57/70/80/477577080.db2.gz NRFAMMCCLZAGSC-GUYCJALGSA-N 1 2 329.356 2.893 20 5 EFBDLO O=C1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000413234092 477582478 /nfs/dbraw/zinc/58/24/78/477582478.db2.gz DULXXAAFNZBFDZ-NSHDSACASA-N 1 2 326.356 2.566 20 5 EFBDLO O=C(C1CC1)N1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413239301 477584979 /nfs/dbraw/zinc/58/49/79/477584979.db2.gz DZHUZCHKBZUXRJ-UHFFFAOYSA-N 1 2 340.383 2.592 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(Cn4cncn4)CC3)c2c1 ZINC000413245182 477588614 /nfs/dbraw/zinc/58/86/14/477588614.db2.gz FRWKNHKAVVPYRZ-UHFFFAOYSA-N 1 2 338.371 2.651 20 5 EFBDLO O=C1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000413284824 477610022 /nfs/dbraw/zinc/61/00/22/477610022.db2.gz PPXLDEFIQUYPNT-CABCVRRESA-N 1 2 326.356 2.708 20 5 EFBDLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000450572112 477639264 /nfs/dbraw/zinc/63/92/64/477639264.db2.gz SFAOGFMSRMXURK-LLVKDONJSA-N 1 2 348.432 2.651 20 5 EFBDLO CC(C)c1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000450572112 477639274 /nfs/dbraw/zinc/63/92/74/477639274.db2.gz SFAOGFMSRMXURK-LLVKDONJSA-N 1 2 348.432 2.651 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000455456139 477641360 /nfs/dbraw/zinc/64/13/60/477641360.db2.gz OYTSRRUODKEQPQ-GFCCVEGCSA-N 1 2 331.376 2.714 20 5 EFBDLO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000436956070 477647744 /nfs/dbraw/zinc/64/77/44/477647744.db2.gz KZLPKXXQZMLTHW-UHFFFAOYSA-N 1 2 335.404 2.685 20 5 EFBDLO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000436956070 477647748 /nfs/dbraw/zinc/64/77/48/477647748.db2.gz KZLPKXXQZMLTHW-UHFFFAOYSA-N 1 2 335.404 2.685 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000372136547 477657020 /nfs/dbraw/zinc/65/70/20/477657020.db2.gz BBVWSZXSHAVLDH-NSHDSACASA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000372136547 477657030 /nfs/dbraw/zinc/65/70/30/477657030.db2.gz BBVWSZXSHAVLDH-NSHDSACASA-N 1 2 336.779 2.635 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455491797 477658061 /nfs/dbraw/zinc/65/80/61/477658061.db2.gz XAAKRMKHDOPMHO-DGCLKSJQSA-N 1 2 329.360 2.639 20 5 EFBDLO Cc1cc(C)c(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC000455535830 477673445 /nfs/dbraw/zinc/67/34/45/477673445.db2.gz BNTOADPSJCCPHI-UHFFFAOYSA-N 1 2 340.383 2.875 20 5 EFBDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CO ZINC000425420868 477682906 /nfs/dbraw/zinc/68/29/06/477682906.db2.gz MWOSSDHHRLPWBW-YGRLFVJLSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CO ZINC000425420868 477682910 /nfs/dbraw/zinc/68/29/10/477682910.db2.gz MWOSSDHHRLPWBW-YGRLFVJLSA-N 1 2 343.221 2.950 20 5 EFBDLO Cc1cc(N2CCCO[C@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413485685 477696615 /nfs/dbraw/zinc/69/66/15/477696615.db2.gz UUWUVGKBMCFQQE-OAHLLOKOSA-N 1 2 346.362 2.925 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372244136 477711761 /nfs/dbraw/zinc/71/17/61/477711761.db2.gz HLXVCEXGNZDYOU-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372244141 477712136 /nfs/dbraw/zinc/71/21/36/477712136.db2.gz HLXVCEXGNZDYOU-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1ccncc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450804343 477721809 /nfs/dbraw/zinc/72/18/09/477721809.db2.gz YCCLMGXXLWDKEQ-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO COC(=O)Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450823537 477730259 /nfs/dbraw/zinc/73/02/59/477730259.db2.gz VMAJAPNPGRGBSL-GWCFXTLKSA-N 1 2 330.344 2.625 20 5 EFBDLO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2[nH+]ccn21 ZINC000450827083 477731657 /nfs/dbraw/zinc/73/16/57/477731657.db2.gz GXIBVHCWGOTZGH-TVQRCGJNSA-N 1 2 327.344 2.794 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC[C@H]1CCOC1 ZINC000450885400 477749582 /nfs/dbraw/zinc/74/95/82/477749582.db2.gz BTIJNHYIHGFEFO-HNNXBMFYSA-N 1 2 349.431 2.656 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000451103659 477825590 /nfs/dbraw/zinc/82/55/90/477825590.db2.gz IUMQXJVLQXZQQF-QMMMGPOBSA-N 1 2 330.266 2.933 20 5 EFBDLO C[C@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451166605 477856474 /nfs/dbraw/zinc/85/64/74/477856474.db2.gz HDPJHFCGTLNAKI-GFCCVEGCSA-N 1 2 346.412 2.606 20 5 EFBDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420964035 477859898 /nfs/dbraw/zinc/85/98/98/477859898.db2.gz WIVYPDKWQIHNEJ-MGPQQGTHSA-N 1 2 335.404 2.811 20 5 EFBDLO CSc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456363548 477889022 /nfs/dbraw/zinc/88/90/22/477889022.db2.gz FKEDMAHEUOTSNE-KOLCDFICSA-N 1 2 332.385 2.949 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1=O ZINC000428421752 477890952 /nfs/dbraw/zinc/89/09/52/477890952.db2.gz KQKROODFPRZXAT-ZDUSSCGKSA-N 1 2 343.383 2.907 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1=O ZINC000428421752 477890962 /nfs/dbraw/zinc/89/09/62/477890962.db2.gz KQKROODFPRZXAT-ZDUSSCGKSA-N 1 2 343.383 2.907 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456373913 477895392 /nfs/dbraw/zinc/89/53/92/477895392.db2.gz JINAIFFUKFXRSR-QMTHXVAHSA-N 1 2 341.371 2.801 20 5 EFBDLO CCc1nc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000428464879 477903701 /nfs/dbraw/zinc/90/37/01/477903701.db2.gz YJZDCUKLBATHOT-UHFFFAOYSA-N 1 2 330.388 2.776 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2[nH+]ccn21 ZINC000456393935 477908523 /nfs/dbraw/zinc/90/85/23/477908523.db2.gz RTJXUUWBTQQRHN-LKFCYVNXSA-N 1 2 325.328 2.708 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000456399270 477912052 /nfs/dbraw/zinc/91/20/52/477912052.db2.gz UPAMRHZRAPQAJJ-BXKDBHETSA-N 1 2 326.312 2.973 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456403108 477915987 /nfs/dbraw/zinc/91/59/87/477915987.db2.gz WQEXSWXXINAYJJ-SNVBAGLBSA-N 1 2 327.344 2.784 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456403107 477916139 /nfs/dbraw/zinc/91/61/39/477916139.db2.gz WQEXSWXXINAYJJ-JTQLQIEISA-N 1 2 327.344 2.784 20 5 EFBDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000421037201 477926360 /nfs/dbraw/zinc/92/63/60/477926360.db2.gz JYSUIVJCXRBCCS-UHFFFAOYSA-N 1 2 346.387 2.510 20 5 EFBDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000421037201 477926365 /nfs/dbraw/zinc/92/63/65/477926365.db2.gz JYSUIVJCXRBCCS-UHFFFAOYSA-N 1 2 346.387 2.510 20 5 EFBDLO C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)n1cc[nH+]c1 ZINC000516476610 477938683 /nfs/dbraw/zinc/93/86/83/477938683.db2.gz VYRAXPIRHKXULR-ZDUSSCGKSA-N 1 2 328.372 2.934 20 5 EFBDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502288 477940019 /nfs/dbraw/zinc/94/00/19/477940019.db2.gz FEWNJKBUCQQBKU-UHFFFAOYSA-N 1 2 345.403 2.732 20 5 EFBDLO CCCc1nc(C)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000459501300 477940939 /nfs/dbraw/zinc/94/09/39/477940939.db2.gz CTBREEGGARTYBP-UHFFFAOYSA-N 1 2 345.403 2.561 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494291632 477961714 /nfs/dbraw/zinc/96/17/14/477961714.db2.gz YEWVKXQEJPPGNX-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494291632 477961722 /nfs/dbraw/zinc/96/17/22/477961722.db2.gz YEWVKXQEJPPGNX-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000532650558 477965833 /nfs/dbraw/zinc/96/58/33/477965833.db2.gz ZVKBWRCFXSMXLF-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000532650558 477965842 /nfs/dbraw/zinc/96/58/42/477965842.db2.gz ZVKBWRCFXSMXLF-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451404749 477996521 /nfs/dbraw/zinc/99/65/21/477996521.db2.gz PBALLWRMHFCDBE-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO Cc1ccc2[nH+]cc(CN3CC(Oc4ccc([N+](=O)[O-])cc4)C3)n2c1 ZINC000459619385 478013738 /nfs/dbraw/zinc/01/37/38/478013738.db2.gz ICTQVOPXCIKBJF-UHFFFAOYSA-N 1 2 338.367 2.814 20 5 EFBDLO CCOC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC000439701342 478019585 /nfs/dbraw/zinc/01/95/85/478019585.db2.gz JPTGIWUHIPKLSC-UHFFFAOYSA-N 1 2 341.327 2.797 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nccs1 ZINC000451547270 478081965 /nfs/dbraw/zinc/08/19/65/478081965.db2.gz KYRVPSIWIBKQGC-ZDUSSCGKSA-N 1 2 346.412 2.869 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nccs1 ZINC000451547270 478081974 /nfs/dbraw/zinc/08/19/74/478081974.db2.gz KYRVPSIWIBKQGC-ZDUSSCGKSA-N 1 2 346.412 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncnn3CCF)C2)cc1 ZINC000451551745 478087261 /nfs/dbraw/zinc/08/72/61/478087261.db2.gz UZJQHHAKYYQMPX-AWEZNQCLSA-N 1 2 333.367 2.535 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncnn3CCF)C2)cc1 ZINC000451551745 478087264 /nfs/dbraw/zinc/08/72/64/478087264.db2.gz UZJQHHAKYYQMPX-AWEZNQCLSA-N 1 2 333.367 2.535 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000451554066 478089758 /nfs/dbraw/zinc/08/97/58/478089758.db2.gz YYNQMXBTSOESEU-AWEZNQCLSA-N 1 2 327.388 2.970 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000451554066 478089764 /nfs/dbraw/zinc/08/97/64/478089764.db2.gz YYNQMXBTSOESEU-AWEZNQCLSA-N 1 2 327.388 2.970 20 5 EFBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533784352 478112622 /nfs/dbraw/zinc/11/26/22/478112622.db2.gz JNMFHSYTUYTCKN-UHFFFAOYSA-N 1 2 336.355 2.618 20 5 EFBDLO O=C(NCCCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000517796493 478124808 /nfs/dbraw/zinc/12/48/08/478124808.db2.gz KHRYWIYWXZLFLR-UHFFFAOYSA-N 1 2 328.328 2.748 20 5 EFBDLO CCc1cc(NC[C@H](O)[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488183870 478127181 /nfs/dbraw/zinc/12/71/81/478127181.db2.gz XRNIOSOQLRJOOQ-WBMJQRKESA-N 1 2 344.415 2.855 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000534270011 478132860 /nfs/dbraw/zinc/13/28/60/478132860.db2.gz HLHYDNGLOOVKAE-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000518030347 478139604 /nfs/dbraw/zinc/13/96/04/478139604.db2.gz RWDGEQQKVRIALG-ZDUSSCGKSA-N 1 2 338.367 2.971 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(C2CCC2)C1 ZINC000451679602 478154503 /nfs/dbraw/zinc/15/45/03/478154503.db2.gz ZNMHZZRZRKYVOE-UHFFFAOYSA-N 1 2 326.356 2.653 20 5 EFBDLO CC(C)CN1C[C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741878 478177372 /nfs/dbraw/zinc/17/73/72/478177372.db2.gz CSDUQBPKHKQTNW-LSDHHAIUSA-N 1 2 346.431 2.734 20 5 EFBDLO CC(C)CN1C[C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741878 478177377 /nfs/dbraw/zinc/17/73/77/478177377.db2.gz CSDUQBPKHKQTNW-LSDHHAIUSA-N 1 2 346.431 2.734 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440952370 478179518 /nfs/dbraw/zinc/17/95/18/478179518.db2.gz FWNDFDVSSRSXLR-HZPDHXFCSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440952370 478179522 /nfs/dbraw/zinc/17/95/22/478179522.db2.gz FWNDFDVSSRSXLR-HZPDHXFCSA-N 1 2 347.415 2.874 20 5 EFBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561615808 478196647 /nfs/dbraw/zinc/19/66/47/478196647.db2.gz NJKCWDSGLKSSDR-GFCCVEGCSA-N 1 2 333.413 2.976 20 5 EFBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561615808 478196653 /nfs/dbraw/zinc/19/66/53/478196653.db2.gz NJKCWDSGLKSSDR-GFCCVEGCSA-N 1 2 333.413 2.976 20 5 EFBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000535721330 478221982 /nfs/dbraw/zinc/22/19/82/478221982.db2.gz IKFYZTIXYBZHFI-ZDUSSCGKSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000535721330 478221984 /nfs/dbraw/zinc/22/19/84/478221984.db2.gz IKFYZTIXYBZHFI-ZDUSSCGKSA-N 1 2 337.420 2.905 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000597347136 478304462 /nfs/dbraw/zinc/30/44/62/478304462.db2.gz ABARLEZMGSGUCU-IACUBPJLSA-N 1 2 328.372 2.618 20 5 EFBDLO CC1(C)CC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590739638 478313763 /nfs/dbraw/zinc/31/37/63/478313763.db2.gz OQICQUXKALOCNX-UHFFFAOYSA-N 1 2 328.372 2.947 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594511780 478419221 /nfs/dbraw/zinc/41/92/21/478419221.db2.gz OTHNSWQZPPGALF-SMDDNHRTSA-N 1 2 331.376 2.724 20 5 EFBDLO Cc1c([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cccc1[N+](=O)[O-] ZINC000594511406 478419767 /nfs/dbraw/zinc/41/97/67/478419767.db2.gz MWPDAUBFUYXUEB-RISCZKNCSA-N 1 2 331.376 2.724 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594512635 478419830 /nfs/dbraw/zinc/41/98/30/478419830.db2.gz VESSMZYDSKSFEP-LDCOFTPGSA-N 1 2 343.387 2.758 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594512635 478419839 /nfs/dbraw/zinc/41/98/39/478419839.db2.gz VESSMZYDSKSFEP-LDCOFTPGSA-N 1 2 343.387 2.758 20 5 EFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1SC ZINC000570887912 478469190 /nfs/dbraw/zinc/46/91/90/478469190.db2.gz OWKCZMYOJWNFKP-MRVPVSSYSA-N 1 2 336.373 2.539 20 5 EFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCOC2)O1 ZINC000591157983 478479073 /nfs/dbraw/zinc/47/90/73/478479073.db2.gz DVEDEPNPLSBLQS-PXAZEXFGSA-N 1 2 329.356 2.527 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491353441 478521016 /nfs/dbraw/zinc/52/10/16/478521016.db2.gz WLCHWAVTQMHIEX-DUXPYHPUSA-N 1 2 344.346 2.876 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597830051 478532157 /nfs/dbraw/zinc/53/21/57/478532157.db2.gz MAHPFPYUWVXDAR-KBPBESRZSA-N 1 2 326.356 2.795 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220435 478540903 /nfs/dbraw/zinc/54/09/03/478540903.db2.gz UBEUYLVRQYPGHF-MLGOLLRUSA-N 1 2 340.387 2.751 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220435 478540907 /nfs/dbraw/zinc/54/09/07/478540907.db2.gz UBEUYLVRQYPGHF-MLGOLLRUSA-N 1 2 340.387 2.751 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591529003 478574743 /nfs/dbraw/zinc/57/47/43/478574743.db2.gz JAGZEVJGLQTPJR-UHFFFAOYSA-N 1 2 339.395 2.957 20 5 EFBDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc([N+](=O)[O-])c1 ZINC000597941343 478587470 /nfs/dbraw/zinc/58/74/70/478587470.db2.gz OHYHNWNWEPOJKQ-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000597941973 478588845 /nfs/dbraw/zinc/58/88/45/478588845.db2.gz UKVQXXBOHYURLF-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C\c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000491624490 478602640 /nfs/dbraw/zinc/60/26/40/478602640.db2.gz BOJJPTVCSNDGLJ-FPLPWBNLSA-N 1 2 336.351 2.881 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000563667355 478613615 /nfs/dbraw/zinc/61/36/15/478613615.db2.gz RHOFQLCRYWACFR-CQSZACIVSA-N 1 2 345.384 2.532 20 5 EFBDLO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020461 478631898 /nfs/dbraw/zinc/63/18/98/478631898.db2.gz YVYSDPVXYWKFRW-BLLLJJGKSA-N 1 2 346.383 2.996 20 5 EFBDLO COC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000542623625 478665987 /nfs/dbraw/zinc/66/59/87/478665987.db2.gz WUKKMWIFDPYJFG-MRXNPFEDSA-N 1 2 336.388 2.685 20 5 EFBDLO Cc1noc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595290053 478715577 /nfs/dbraw/zinc/71/55/77/478715577.db2.gz TWELNAFKNPJZHD-UHFFFAOYSA-N 1 2 329.356 2.986 20 5 EFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595320309 478731019 /nfs/dbraw/zinc/73/10/19/478731019.db2.gz SWRXPTAUTBWHHI-OAHLLOKOSA-N 1 2 347.346 2.608 20 5 EFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595320309 478731028 /nfs/dbraw/zinc/73/10/28/478731028.db2.gz SWRXPTAUTBWHHI-OAHLLOKOSA-N 1 2 347.346 2.608 20 5 EFBDLO C[C@@H]1SCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000592002336 478741102 /nfs/dbraw/zinc/74/11/02/478741102.db2.gz IIQNHIJNFFLBHL-JSGCOSHPSA-N 1 2 337.445 2.733 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cn2c(cccc2C)[nH+]1 ZINC000592006685 478742539 /nfs/dbraw/zinc/74/25/39/478742539.db2.gz SRGMGCPTMBTAHX-UHFFFAOYSA-N 1 2 328.376 2.730 20 5 EFBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595375622 478752137 /nfs/dbraw/zinc/75/21/37/478752137.db2.gz CIKMUBUDLACGLS-HIFRSBDPSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595375622 478752147 /nfs/dbraw/zinc/75/21/47/478752147.db2.gz CIKMUBUDLACGLS-HIFRSBDPSA-N 1 2 344.408 2.522 20 5 EFBDLO Cc1noc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595373819 478753550 /nfs/dbraw/zinc/75/35/50/478753550.db2.gz USJHMAGDESCGNG-UHFFFAOYSA-N 1 2 335.335 2.826 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000601314518 478781176 /nfs/dbraw/zinc/78/11/76/478781176.db2.gz IPAFNPNXLOORHX-BXUZGUMPSA-N 1 2 332.335 2.654 20 5 EFBDLO C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000601314519 478781372 /nfs/dbraw/zinc/78/13/72/478781372.db2.gz IPAFNPNXLOORHX-FZMZJTMJSA-N 1 2 332.335 2.654 20 5 EFBDLO Cc1noc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000595438856 478782926 /nfs/dbraw/zinc/78/29/26/478782926.db2.gz IMJMXFYZHGOSBK-LBPRGKRZSA-N 1 2 336.417 2.832 20 5 EFBDLO Cc1noc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595494897 478819102 /nfs/dbraw/zinc/81/91/02/478819102.db2.gz DAKZGWNVNKFGGX-QWHCGFSZSA-N 1 2 349.412 2.892 20 5 EFBDLO Cc1noc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595494897 478819111 /nfs/dbraw/zinc/81/91/11/478819111.db2.gz DAKZGWNVNKFGGX-QWHCGFSZSA-N 1 2 349.412 2.892 20 5 EFBDLO CC(C)(CO)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000595501628 478822064 /nfs/dbraw/zinc/82/20/64/478822064.db2.gz UVBHJCNUEJBLNL-MRXNPFEDSA-N 1 2 333.363 2.978 20 5 EFBDLO COC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000502733258 478828092 /nfs/dbraw/zinc/82/80/92/478828092.db2.gz UPLZTXGSNLVOIL-UHFFFAOYSA-N 1 2 336.388 2.829 20 5 EFBDLO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466118 478837400 /nfs/dbraw/zinc/83/74/00/478837400.db2.gz XWHRSGLWCLAARR-MRVPVSSYSA-N 1 2 342.277 2.838 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)Cc1ccccc1 ZINC000595591414 478873163 /nfs/dbraw/zinc/87/31/63/478873163.db2.gz HDFDGJSPEDVNFU-CQSZACIVSA-N 1 2 336.338 2.908 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)Cc1ccccc1 ZINC000595591414 478873166 /nfs/dbraw/zinc/87/31/66/478873166.db2.gz HDFDGJSPEDVNFU-CQSZACIVSA-N 1 2 336.338 2.908 20 5 EFBDLO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572592158 478873775 /nfs/dbraw/zinc/87/37/75/478873775.db2.gz DEDMRGKTFAZEQS-JSGCOSHPSA-N 1 2 348.428 2.753 20 5 EFBDLO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572592158 478873780 /nfs/dbraw/zinc/87/37/80/478873780.db2.gz DEDMRGKTFAZEQS-JSGCOSHPSA-N 1 2 348.428 2.753 20 5 EFBDLO CN(C)c1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507176052 478909005 /nfs/dbraw/zinc/90/90/05/478909005.db2.gz WVKTVUWMJPQIPL-UHFFFAOYSA-N 1 2 327.388 2.615 20 5 EFBDLO CN(C)c1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507176052 478909011 /nfs/dbraw/zinc/90/90/11/478909011.db2.gz WVKTVUWMJPQIPL-UHFFFAOYSA-N 1 2 327.388 2.615 20 5 EFBDLO CCN(CC)C(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000507230990 478909457 /nfs/dbraw/zinc/90/94/57/478909457.db2.gz PGKSKAGJMDTCAA-CLFYSBASSA-N 1 2 346.431 2.687 20 5 EFBDLO CC(C)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000565105562 478916301 /nfs/dbraw/zinc/91/63/01/478916301.db2.gz MRVQZGZYUDCWEA-UHFFFAOYSA-N 1 2 331.376 2.562 20 5 EFBDLO CC(C)Cn1nccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592498198 478916972 /nfs/dbraw/zinc/91/69/72/478916972.db2.gz NJSVNHPCFABEBX-UHFFFAOYSA-N 1 2 343.431 2.770 20 5 EFBDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000598621087 478930004 /nfs/dbraw/zinc/93/00/04/478930004.db2.gz TYFSCKLUMACSSR-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598633471 478935620 /nfs/dbraw/zinc/93/56/20/478935620.db2.gz AEVUDMRBVJMZIU-DOMZBBRYSA-N 1 2 342.399 2.815 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794059 478941664 /nfs/dbraw/zinc/94/16/64/478941664.db2.gz JZSAKVAIUCGZOA-XJKSGUPXSA-N 1 2 338.429 2.557 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794059 478941666 /nfs/dbraw/zinc/94/16/66/478941666.db2.gz JZSAKVAIUCGZOA-XJKSGUPXSA-N 1 2 338.429 2.557 20 5 EFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592571389 478944267 /nfs/dbraw/zinc/94/42/67/478944267.db2.gz YZTMNCAGPOAHLJ-LLVKDONJSA-N 1 2 342.380 2.751 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584061275 479007861 /nfs/dbraw/zinc/00/78/61/479007861.db2.gz GCEQHLCLXYEPCP-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584061275 479007866 /nfs/dbraw/zinc/00/78/66/479007866.db2.gz GCEQHLCLXYEPCP-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584061276 479008110 /nfs/dbraw/zinc/00/81/10/479008110.db2.gz GCEQHLCLXYEPCP-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584061276 479008122 /nfs/dbraw/zinc/00/81/22/479008122.db2.gz GCEQHLCLXYEPCP-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO COc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595822629 479017030 /nfs/dbraw/zinc/01/70/30/479017030.db2.gz YJDXBMQWLOXOIL-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO COc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595822629 479017039 /nfs/dbraw/zinc/01/70/39/479017039.db2.gz YJDXBMQWLOXOIL-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000595886314 479052422 /nfs/dbraw/zinc/05/24/22/479052422.db2.gz UJNRJCKBZDEKEA-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000595886314 479052431 /nfs/dbraw/zinc/05/24/31/479052431.db2.gz UJNRJCKBZDEKEA-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO O=c1[nH]ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000596057157 479111093 /nfs/dbraw/zinc/11/10/93/479111093.db2.gz INCNKJUFDBEIGZ-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO CCn1nncc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598986091 479115032 /nfs/dbraw/zinc/11/50/32/479115032.db2.gz LMLZKRULPDUZCU-UHFFFAOYSA-N 1 2 344.400 2.620 20 5 EFBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC(n2cc[nH+]c2)C1 ZINC000547711836 479119265 /nfs/dbraw/zinc/11/92/65/479119265.db2.gz PMXCOQNNOXXYFQ-UHFFFAOYSA-N 1 2 344.374 2.575 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[N@@H+]1CCc2sccc2C1 ZINC000596088602 479130019 /nfs/dbraw/zinc/13/00/19/479130019.db2.gz LPYYJXZOLPFHIQ-UHFFFAOYSA-N 1 2 338.820 2.597 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[N@H+]1CCc2sccc2C1 ZINC000596088602 479130025 /nfs/dbraw/zinc/13/00/25/479130025.db2.gz LPYYJXZOLPFHIQ-UHFFFAOYSA-N 1 2 338.820 2.597 20 5 EFBDLO CCC(=O)N[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599035715 479133526 /nfs/dbraw/zinc/13/35/26/479133526.db2.gz MLKSJQABWKGUNU-ZDUSSCGKSA-N 1 2 328.372 2.638 20 5 EFBDLO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000596129999 479154532 /nfs/dbraw/zinc/15/45/32/479154532.db2.gz UDHVOXLNPXZSHM-LBPRGKRZSA-N 1 2 338.314 2.688 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3cc4n(n3)CCCO4)c2c1 ZINC000599107544 479162693 /nfs/dbraw/zinc/16/26/93/479162693.db2.gz LMLKDZQFPCORRJ-UHFFFAOYSA-N 1 2 325.328 2.734 20 5 EFBDLO Cc1noc([C@@H]2OCC[C@@H]2Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])n1 ZINC000599195313 479203886 /nfs/dbraw/zinc/20/38/86/479203886.db2.gz KQXLPUAMDKBBAM-DZGCQCFKSA-N 1 2 341.327 2.777 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053594 479207530 /nfs/dbraw/zinc/20/75/30/479207530.db2.gz QADRAWBLMMSQET-HIFRSBDPSA-N 1 2 342.399 2.903 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053594 479207535 /nfs/dbraw/zinc/20/75/35/479207535.db2.gz QADRAWBLMMSQET-HIFRSBDPSA-N 1 2 342.399 2.903 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](CC(F)F)CC1 ZINC000596240299 479219414 /nfs/dbraw/zinc/21/94/14/479219414.db2.gz WETPFWPJKISPKE-UHFFFAOYSA-N 1 2 331.367 2.509 20 5 EFBDLO CC[N@H+](Cc1ccoc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610944065 479238692 /nfs/dbraw/zinc/23/86/92/479238692.db2.gz ZVGSTNLQWGRUKK-MRXNPFEDSA-N 1 2 329.356 2.815 20 5 EFBDLO CC[N@@H+](Cc1ccoc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610944065 479238697 /nfs/dbraw/zinc/23/86/97/479238697.db2.gz ZVGSTNLQWGRUKK-MRXNPFEDSA-N 1 2 329.356 2.815 20 5 EFBDLO Cc1c(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610971739 479248479 /nfs/dbraw/zinc/24/84/79/479248479.db2.gz XNQBQPFQKCXECW-HNNXBMFYSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596434504 479293948 /nfs/dbraw/zinc/29/39/48/479293948.db2.gz YRUFECHKURAERE-ZJUUUORDSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596434504 479293955 /nfs/dbraw/zinc/29/39/55/479293955.db2.gz YRUFECHKURAERE-ZJUUUORDSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191126 479307169 /nfs/dbraw/zinc/30/71/69/479307169.db2.gz OZHBPTXQCAOFOU-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599511866 479317601 /nfs/dbraw/zinc/31/76/01/479317601.db2.gz CMVFUTNDSJPJED-PHIMTYICSA-N 1 2 327.331 2.756 20 5 EFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599511866 479317607 /nfs/dbraw/zinc/31/76/07/479317607.db2.gz CMVFUTNDSJPJED-PHIMTYICSA-N 1 2 327.331 2.756 20 5 EFBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611266489 479328943 /nfs/dbraw/zinc/32/89/43/479328943.db2.gz DSFYZXUUZXUKJP-MOTZXUDYSA-N 1 2 337.379 2.693 20 5 EFBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611266489 479328948 /nfs/dbraw/zinc/32/89/48/479328948.db2.gz DSFYZXUUZXUKJP-MOTZXUDYSA-N 1 2 337.379 2.693 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551479 479329949 /nfs/dbraw/zinc/32/99/49/479329949.db2.gz NOSHWKCPJHQYFJ-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599551479 479329952 /nfs/dbraw/zinc/32/99/52/479329952.db2.gz NOSHWKCPJHQYFJ-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271379 479331749 /nfs/dbraw/zinc/33/17/49/479331749.db2.gz KKETXNXVGZVABH-CQSZACIVSA-N 1 2 336.388 2.613 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271379 479331754 /nfs/dbraw/zinc/33/17/54/479331754.db2.gz KKETXNXVGZVABH-CQSZACIVSA-N 1 2 336.388 2.613 20 5 EFBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(CO)CC2)cc1Br ZINC000602437005 479331894 /nfs/dbraw/zinc/33/18/94/479331894.db2.gz CMVDXBMQSMIYDV-UHFFFAOYSA-N 1 2 335.223 2.623 20 5 EFBDLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000602440067 479332332 /nfs/dbraw/zinc/33/23/32/479332332.db2.gz NKLKUJRAWWRKFS-UHFFFAOYSA-N 1 2 343.383 2.885 20 5 EFBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000602440067 479332339 /nfs/dbraw/zinc/33/23/39/479332339.db2.gz NKLKUJRAWWRKFS-UHFFFAOYSA-N 1 2 343.383 2.885 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000611287302 479338315 /nfs/dbraw/zinc/33/83/15/479338315.db2.gz KQGQXHVFKDWONE-SUMWQHHRSA-N 1 2 331.416 2.749 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000611287302 479338318 /nfs/dbraw/zinc/33/83/18/479338318.db2.gz KQGQXHVFKDWONE-SUMWQHHRSA-N 1 2 331.416 2.749 20 5 EFBDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762465 479345742 /nfs/dbraw/zinc/34/57/42/479345742.db2.gz SBOGONREBZVGEQ-SNVBAGLBSA-N 1 2 328.315 2.791 20 5 EFBDLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762465 479345746 /nfs/dbraw/zinc/34/57/46/479345746.db2.gz SBOGONREBZVGEQ-SNVBAGLBSA-N 1 2 328.315 2.791 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000596590185 479350457 /nfs/dbraw/zinc/35/04/57/479350457.db2.gz CJXBNRMOKGOBHU-MRXNPFEDSA-N 1 2 340.383 2.672 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000596590185 479350464 /nfs/dbraw/zinc/35/04/64/479350464.db2.gz CJXBNRMOKGOBHU-MRXNPFEDSA-N 1 2 340.383 2.672 20 5 EFBDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599621617 479356334 /nfs/dbraw/zinc/35/63/34/479356334.db2.gz BWWWSUDAXHONJI-NSHDSACASA-N 1 2 339.342 2.604 20 5 EFBDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599621617 479356341 /nfs/dbraw/zinc/35/63/41/479356341.db2.gz BWWWSUDAXHONJI-NSHDSACASA-N 1 2 339.342 2.604 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000593522730 479376484 /nfs/dbraw/zinc/37/64/84/479376484.db2.gz NSWFCTSTCPTHMV-LRDDRELGSA-N 1 2 346.362 2.583 20 5 EFBDLO CC[C@]1(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000588041247 479386783 /nfs/dbraw/zinc/38/67/83/479386783.db2.gz AVMBDBLOQHLSCU-KRWDZBQOSA-N 1 2 328.372 2.763 20 5 EFBDLO O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000575047902 479394595 /nfs/dbraw/zinc/39/45/95/479394595.db2.gz FWUBIGXBSYEXHX-OLZOCXBDSA-N 1 2 332.335 2.791 20 5 EFBDLO Cc1nc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611560383 479415715 /nfs/dbraw/zinc/41/57/15/479415715.db2.gz LWVHTEXRDLZOAT-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603684608 479419768 /nfs/dbraw/zinc/41/97/68/479419768.db2.gz PTZKFFIEKFQAHR-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603684608 479419773 /nfs/dbraw/zinc/41/97/73/479419773.db2.gz PTZKFFIEKFQAHR-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1O ZINC000602622735 479429563 /nfs/dbraw/zinc/42/95/63/479429563.db2.gz LSZJVIZHBRCCNM-XCBNKYQSSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1O ZINC000602622735 479429569 /nfs/dbraw/zinc/42/95/69/479429569.db2.gz LSZJVIZHBRCCNM-XCBNKYQSSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000602626399 479432214 /nfs/dbraw/zinc/43/22/14/479432214.db2.gz YHHJKPWBEWZXLI-TVQRCGJNSA-N 1 2 345.321 2.699 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000602626399 479432222 /nfs/dbraw/zinc/43/22/22/479432222.db2.gz YHHJKPWBEWZXLI-TVQRCGJNSA-N 1 2 345.321 2.699 20 5 EFBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611682887 479445033 /nfs/dbraw/zinc/44/50/33/479445033.db2.gz QEKLDPLCLLHISU-AWEZNQCLSA-N 1 2 343.339 2.568 20 5 EFBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611682888 479445258 /nfs/dbraw/zinc/44/52/58/479445258.db2.gz QEKLDPLCLLHISU-CQSZACIVSA-N 1 2 343.339 2.568 20 5 EFBDLO O=[N+]([O-])c1sc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1Br ZINC000602653112 479448650 /nfs/dbraw/zinc/44/86/50/479448650.db2.gz YXEMXEWMMNSVKD-MRVPVSSYSA-N 1 2 347.234 2.887 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(NCCCc3[nH]c4ccccc4[nH+]3)c2c1 ZINC000611699493 479449195 /nfs/dbraw/zinc/44/91/95/479449195.db2.gz DKCVTILMQCVAGW-UHFFFAOYSA-N 1 2 348.366 2.881 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@]1(C)CO ZINC000602726058 479507207 /nfs/dbraw/zinc/50/72/07/479507207.db2.gz YXTTXLYSARARNI-QPUJVOFHSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@]1(C)CO ZINC000602726058 479507216 /nfs/dbraw/zinc/50/72/16/479507216.db2.gz YXTTXLYSARARNI-QPUJVOFHSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@]1(C)CO ZINC000602726059 479507601 /nfs/dbraw/zinc/50/76/01/479507601.db2.gz YXTTXLYSARARNI-UFBFGSQYSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@]1(C)CO ZINC000602726059 479507607 /nfs/dbraw/zinc/50/76/07/479507607.db2.gz YXTTXLYSARARNI-UFBFGSQYSA-N 1 2 349.250 2.869 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000604484799 479525583 /nfs/dbraw/zinc/52/55/83/479525583.db2.gz NEJFVTXYKOSQMY-UHFFFAOYSA-N 1 2 326.356 2.732 20 5 EFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000604525161 479533959 /nfs/dbraw/zinc/53/39/59/479533959.db2.gz CDOSRLYDKQROLE-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000604525161 479533966 /nfs/dbraw/zinc/53/39/66/479533966.db2.gz CDOSRLYDKQROLE-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000602788803 479553959 /nfs/dbraw/zinc/55/39/59/479553959.db2.gz RKEJOVLPPRGMAR-JTQLQIEISA-N 1 2 336.342 2.997 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000602788803 479553966 /nfs/dbraw/zinc/55/39/66/479553966.db2.gz RKEJOVLPPRGMAR-JTQLQIEISA-N 1 2 336.342 2.997 20 5 EFBDLO CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OCC ZINC000600181862 479567870 /nfs/dbraw/zinc/56/78/70/479567870.db2.gz ZZZNRJXMYLCAGR-CQSZACIVSA-N 1 2 346.387 2.716 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612132403 479592902 /nfs/dbraw/zinc/59/29/02/479592902.db2.gz HRPRKUAIOBQCMN-HNNXBMFYSA-N 1 2 347.415 2.590 20 5 EFBDLO COCc1csc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000597148291 479593604 /nfs/dbraw/zinc/59/36/04/479593604.db2.gz BFDLRAXGJMNTJB-UHFFFAOYSA-N 1 2 348.428 2.520 20 5 EFBDLO CC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590156353 479610679 /nfs/dbraw/zinc/61/06/79/479610679.db2.gz GWQDUTHNYZIQEK-UHFFFAOYSA-N 1 2 345.321 2.714 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000590174912 479614466 /nfs/dbraw/zinc/61/44/66/479614466.db2.gz GEEPTZXDSFTCJV-GFCCVEGCSA-N 1 2 341.293 2.652 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000590174912 479614470 /nfs/dbraw/zinc/61/44/70/479614470.db2.gz GEEPTZXDSFTCJV-GFCCVEGCSA-N 1 2 341.293 2.652 20 5 EFBDLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000590216016 479617269 /nfs/dbraw/zinc/61/72/69/479617269.db2.gz JBUDDAROHYUQKE-CQSZACIVSA-N 1 2 342.399 2.933 20 5 EFBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1COCCO1 ZINC000597204934 479619794 /nfs/dbraw/zinc/61/97/94/479619794.db2.gz HQRVYVUEVZDKJH-HNNXBMFYSA-N 1 2 349.412 2.566 20 5 EFBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1COCCO1 ZINC000597204934 479619797 /nfs/dbraw/zinc/61/97/97/479619797.db2.gz HQRVYVUEVZDKJH-HNNXBMFYSA-N 1 2 349.412 2.566 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)OCCO2 ZINC000590381006 479636686 /nfs/dbraw/zinc/63/66/86/479636686.db2.gz UDCSRKPDBLWQNU-QZTJIDSGSA-N 1 2 346.383 2.509 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)OCCO2 ZINC000590381006 479636693 /nfs/dbraw/zinc/63/66/93/479636693.db2.gz UDCSRKPDBLWQNU-QZTJIDSGSA-N 1 2 346.383 2.509 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253669 479645496 /nfs/dbraw/zinc/64/54/96/479645496.db2.gz HFBLRSDAGCAGTE-HWKANZROSA-N 1 2 335.314 2.653 20 5 EFBDLO 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/nfs/dbraw/zinc/96/08/03/1290960803.db2.gz MRSWQKGGULQAJF-UHFFFAOYSA-N 1 2 346.456 2.986 20 5 EFBDLO CC(=O)OC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093454176 1291144549 /nfs/dbraw/zinc/14/45/49/1291144549.db2.gz SPEJUOGVHCLHDU-UHFFFAOYSA-N 1 2 344.314 2.724 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000878096491 1291492085 /nfs/dbraw/zinc/49/20/85/1291492085.db2.gz RZDSZMQGKYFZSN-HBUWYVDXSA-N 1 2 344.415 2.950 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000878096491 1291492091 /nfs/dbraw/zinc/49/20/91/1291492091.db2.gz RZDSZMQGKYFZSN-HBUWYVDXSA-N 1 2 344.415 2.950 20 5 EFBDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879761772 1292259928 /nfs/dbraw/zinc/25/99/28/1292259928.db2.gz QOOLBYYHDIBVHM-UHFFFAOYSA-N 1 2 337.395 2.814 20 5 EFBDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879761772 1292259936 /nfs/dbraw/zinc/25/99/36/1292259936.db2.gz QOOLBYYHDIBVHM-UHFFFAOYSA-N 1 2 337.395 2.814 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128950578 1292835879 /nfs/dbraw/zinc/83/58/79/1292835879.db2.gz DBRAMGGPDIKDRT-GFCCVEGCSA-N 1 2 347.444 2.964 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128950578 1292835896 /nfs/dbraw/zinc/83/58/96/1292835896.db2.gz DBRAMGGPDIKDRT-GFCCVEGCSA-N 1 2 347.444 2.964 20 5 EFBDLO O=C(OC[C@H](F)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000800217865 1293961971 /nfs/dbraw/zinc/96/19/71/1293961971.db2.gz JPBGBZRWNWAOOD-NSHDSACASA-N 1 2 347.224 2.838 20 5 EFBDLO CNC(=O)c1ccc(C[N@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000885926594 1294563454 /nfs/dbraw/zinc/56/34/54/1294563454.db2.gz GLBGWXRSUQVMQR-UHFFFAOYSA-N 1 2 340.383 2.514 20 5 EFBDLO CNC(=O)c1ccc(C[N@@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000885926594 1294563464 /nfs/dbraw/zinc/56/34/64/1294563464.db2.gz GLBGWXRSUQVMQR-UHFFFAOYSA-N 1 2 340.383 2.514 20 5 EFBDLO COC(=O)c1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000930141157 1297240316 /nfs/dbraw/zinc/24/03/16/1297240316.db2.gz SHXHXTOXZZBZJU-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO COC(=O)c1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000930141157 1297240327 /nfs/dbraw/zinc/24/03/27/1297240327.db2.gz SHXHXTOXZZBZJU-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO CC(=O)CCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000778325263 1297629472 /nfs/dbraw/zinc/62/94/72/1297629472.db2.gz ILMUCCBCVYEYEL-UHFFFAOYSA-N 1 2 331.328 2.697 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-] ZINC000851897252 1299453967 /nfs/dbraw/zinc/45/39/67/1299453967.db2.gz JUPWRBXVZWKPNP-LLVKDONJSA-N 1 2 344.371 2.869 20 5 EFBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776578782 1299622566 /nfs/dbraw/zinc/62/25/66/1299622566.db2.gz JGRIEACKGLQLLM-KRWDZBQOSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776578782 1299622568 /nfs/dbraw/zinc/62/25/68/1299622568.db2.gz JGRIEACKGLQLLM-KRWDZBQOSA-N 1 2 343.383 2.507 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000776587489 1299661719 /nfs/dbraw/zinc/66/17/19/1299661719.db2.gz IKCAJROBFOADIM-QZTJIDSGSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000776587489 1299661733 /nfs/dbraw/zinc/66/17/33/1299661733.db2.gz IKCAJROBFOADIM-QZTJIDSGSA-N 1 2 328.368 2.702 20 5 EFBDLO CC(C)OC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853493263 1300135571 /nfs/dbraw/zinc/13/55/71/1300135571.db2.gz AJHLSYIUQNPILD-UHFFFAOYSA-N 1 2 345.403 2.700 20 5 EFBDLO C[C@@H]([N@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)(C)C ZINC000794616352 1302858833 /nfs/dbraw/zinc/85/88/33/1302858833.db2.gz FYCXLFOPIOXTCR-LLVKDONJSA-N 1 2 334.376 2.735 20 5 EFBDLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)(C)C ZINC000794616352 1302858851 /nfs/dbraw/zinc/85/88/51/1302858851.db2.gz FYCXLFOPIOXTCR-LLVKDONJSA-N 1 2 334.376 2.735 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000794630096 1302872738 /nfs/dbraw/zinc/87/27/38/1302872738.db2.gz CLCZMCMRSAJZGP-RISCZKNCSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000794630096 1302872752 /nfs/dbraw/zinc/87/27/52/1302872752.db2.gz CLCZMCMRSAJZGP-RISCZKNCSA-N 1 2 349.412 2.820 20 5 EFBDLO C[C@H](C[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1nccs1 ZINC000794638288 1302880487 /nfs/dbraw/zinc/88/04/87/1302880487.db2.gz CEYZVRIFUZQVAT-SNVBAGLBSA-N 1 2 348.384 2.652 20 5 EFBDLO C[C@H](C[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1nccs1 ZINC000794638288 1302880500 /nfs/dbraw/zinc/88/05/00/1302880500.db2.gz CEYZVRIFUZQVAT-SNVBAGLBSA-N 1 2 348.384 2.652 20 5 EFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653014 1302902928 /nfs/dbraw/zinc/90/29/28/1302902928.db2.gz KXCNPKVWUFWFTI-APPDUMDISA-N 1 2 330.388 2.710 20 5 EFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653014 1302902939 /nfs/dbraw/zinc/90/29/39/1302902939.db2.gz KXCNPKVWUFWFTI-APPDUMDISA-N 1 2 330.388 2.710 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)c2cc(F)c([N+](=O)[O-])cc2CO)c1C ZINC000865481212 1303280438 /nfs/dbraw/zinc/28/04/38/1303280438.db2.gz NJMJCQJZYYLKQZ-UHFFFAOYSA-N 1 2 349.362 2.883 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000866583036 1303696701 /nfs/dbraw/zinc/69/67/01/1303696701.db2.gz RTAUWRYNLPHUGB-SWLSCSKDSA-N 1 2 346.362 2.583 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000801519768 1310444640 /nfs/dbraw/zinc/44/46/40/1310444640.db2.gz WBXMQCGELDKQBK-LSDHHAIUSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000801519768 1310444651 /nfs/dbraw/zinc/44/46/51/1310444651.db2.gz WBXMQCGELDKQBK-LSDHHAIUSA-N 1 2 337.395 2.955 20 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C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)[C@H]1CC(=O)C2 ZINC001226195915 1311628390 /nfs/dbraw/zinc/62/83/90/1311628390.db2.gz MUODWODLARXSIX-AAAAQAOESA-N 1 2 328.727 2.570 20 5 EFBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)[C@H]1CC(=O)C2 ZINC001226195915 1311628393 /nfs/dbraw/zinc/62/83/93/1311628393.db2.gz MUODWODLARXSIX-AAAAQAOESA-N 1 2 328.727 2.570 20 5 EFBDLO C[C@H](Oc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226710752 1311711385 /nfs/dbraw/zinc/71/13/85/1311711385.db2.gz UNTUZMVTOZZSGN-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226710752 1311711387 /nfs/dbraw/zinc/71/13/87/1311711387.db2.gz UNTUZMVTOZZSGN-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226760577 1311719694 /nfs/dbraw/zinc/71/96/94/1311719694.db2.gz BQMCVQZZQYTMHW-KRWDZBQOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226760577 1311719698 /nfs/dbraw/zinc/71/96/98/1311719698.db2.gz BQMCVQZZQYTMHW-KRWDZBQOSA-N 1 2 343.383 2.578 20 5 EFBDLO O=C(/C=C\C1CC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226778872 1311722369 /nfs/dbraw/zinc/72/23/69/1311722369.db2.gz UEAXJAYQZPNFBF-ARJAWSKDSA-N 1 2 335.429 2.703 20 5 EFBDLO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227222972 1311779079 /nfs/dbraw/zinc/77/90/79/1311779079.db2.gz YQQKFNMLDBYOBI-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227222972 1311779082 /nfs/dbraw/zinc/77/90/82/1311779082.db2.gz YQQKFNMLDBYOBI-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227235025 1311780901 /nfs/dbraw/zinc/78/09/01/1311780901.db2.gz NEYHNQBJGJWWGF-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cnc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227235025 1311780904 /nfs/dbraw/zinc/78/09/04/1311780904.db2.gz NEYHNQBJGJWWGF-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO N[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001206675083 1311899859 /nfs/dbraw/zinc/89/98/59/1311899859.db2.gz GVMZQZGFYJQOGE-OAHLLOKOSA-N 1 2 328.366 2.951 20 5 EFBDLO N[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001206675083 1311899862 /nfs/dbraw/zinc/89/98/62/1311899862.db2.gz GVMZQZGFYJQOGE-OAHLLOKOSA-N 1 2 328.366 2.951 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)ncnc2OC1C[NH+](Cc2ccccc2)C1 ZINC001229399866 1312089557 /nfs/dbraw/zinc/08/95/57/1312089557.db2.gz OFNMQTQOQAUSOV-UHFFFAOYSA-N 1 2 336.351 2.801 20 5 EFBDLO Cc1c(Br)cnc(OC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001230034458 1312175194 /nfs/dbraw/zinc/17/51/94/1312175194.db2.gz IOWHPLZKPBPSLT-UHFFFAOYSA-N 1 2 344.209 2.922 20 5 EFBDLO Cc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001162848717 1312189474 /nfs/dbraw/zinc/18/94/74/1312189474.db2.gz AZKGLCUVGYJGLH-ZDUSSCGKSA-N 1 2 346.387 2.532 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231253975 1312464355 /nfs/dbraw/zinc/46/43/55/1312464355.db2.gz PVCJQXQMBFBYGD-MRXNPFEDSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231253975 1312464359 /nfs/dbraw/zinc/46/43/59/1312464359.db2.gz PVCJQXQMBFBYGD-MRXNPFEDSA-N 1 2 328.368 2.971 20 5 EFBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c1F ZINC001215292072 1314810439 /nfs/dbraw/zinc/81/04/39/1314810439.db2.gz KXDZKAAAYXTSKL-JTQLQIEISA-N 1 2 336.298 2.583 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000401685069 1314819753 /nfs/dbraw/zinc/81/97/53/1314819753.db2.gz BMQVPAISPHCCRG-KOLCDFICSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000401685069 1314819756 /nfs/dbraw/zinc/81/97/56/1314819756.db2.gz BMQVPAISPHCCRG-KOLCDFICSA-N 1 2 329.194 2.560 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CC[NH2+]CC1(F)F ZINC001218004486 1315131594 /nfs/dbraw/zinc/13/15/94/1315131594.db2.gz AAEIATFLNXYNPV-NSHDSACASA-N 1 2 344.705 2.567 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218004441 1315131637 /nfs/dbraw/zinc/13/16/37/1315131637.db2.gz DMRIYJHRYUEMCM-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005358 1315131667 /nfs/dbraw/zinc/13/16/67/1315131667.db2.gz FCLPGTPBJALFPW-JTQLQIEISA-N 1 2 326.221 2.990 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC2(F)F)cc(C(F)(F)F)c1 ZINC001218009883 1315133309 /nfs/dbraw/zinc/13/33/09/1315133309.db2.gz JXWIYMQPUNAMKY-JTQLQIEISA-N 1 2 326.221 2.990 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[NH2+]1 ZINC001218173180 1315158497 /nfs/dbraw/zinc/15/84/97/1315158497.db2.gz UCANZCIRSSDIMH-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218347638 1315182739 /nfs/dbraw/zinc/18/27/39/1315182739.db2.gz LFAYAUZKJQDJIC-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001254560053 1315723269 /nfs/dbraw/zinc/72/32/69/1315723269.db2.gz OUXAYJQHJYXTSU-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001254560053 1315723271 /nfs/dbraw/zinc/72/32/71/1315723271.db2.gz OUXAYJQHJYXTSU-KBXCAEBGSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001254560056 1315723657 /nfs/dbraw/zinc/72/36/57/1315723657.db2.gz OUXAYJQHJYXTSU-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001254560056 1315723661 /nfs/dbraw/zinc/72/36/61/1315723661.db2.gz OUXAYJQHJYXTSU-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)F)CC1 ZINC001254560266 1315723674 /nfs/dbraw/zinc/72/36/74/1315723674.db2.gz QVMCLKXBBYIRLN-GFCCVEGCSA-N 1 2 331.338 2.706 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001254564127 1315724150 /nfs/dbraw/zinc/72/41/50/1315724150.db2.gz ISOKHJDAGHNBJH-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001254564127 1315724154 /nfs/dbraw/zinc/72/41/54/1315724154.db2.gz ISOKHJDAGHNBJH-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC001254563234 1315724335 /nfs/dbraw/zinc/72/43/35/1315724335.db2.gz VJUYWHMLOYYDPT-INIZCTEOSA-N 1 2 340.427 2.739 20 5 EFBDLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000133270215 1316025740 /nfs/dbraw/zinc/02/57/40/1316025740.db2.gz FDXYOYDHFPWQFD-QWHCGFSZSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000133270215 1316025742 /nfs/dbraw/zinc/02/57/42/1316025742.db2.gz FDXYOYDHFPWQFD-QWHCGFSZSA-N 1 2 346.387 2.880 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(-c3ccncc3)o2)ccc1-n1cc[nH+]c1 ZINC001322068411 1329426088 /nfs/dbraw/zinc/42/60/88/1329426088.db2.gz LGICWJVJQXXAPX-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO CCc1csc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001329336872 1330695247 /nfs/dbraw/zinc/69/52/47/1330695247.db2.gz LWJLIOVNLZXEGE-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO CC(C)(C)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC001341437763 1332259274 /nfs/dbraw/zinc/25/92/74/1332259274.db2.gz JFNMPQSZHYBIKA-UHFFFAOYSA-N 1 2 343.225 2.673 20 5 EFBDLO CCc1ncoc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001343663279 1332367697 /nfs/dbraw/zinc/36/76/97/1332367697.db2.gz DGWOJBJBKKKBIA-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO CCc1ncoc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001343663279 1332367699 /nfs/dbraw/zinc/36/76/99/1332367699.db2.gz DGWOJBJBKKKBIA-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCCCc2c[nH+]cn2C)c1 ZINC001343725023 1332373630 /nfs/dbraw/zinc/37/36/30/1332373630.db2.gz MGCRCUQVUZNSRS-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO C[C@H](C(=O)OCCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1F ZINC001343738155 1332374662 /nfs/dbraw/zinc/37/46/62/1332374662.db2.gz HDZFNDWANRRYOY-NSHDSACASA-N 1 2 335.335 2.747 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC001347278230 1332731012 /nfs/dbraw/zinc/73/10/12/1332731012.db2.gz CXURBIKMXAZMQG-INIZCTEOSA-N 1 2 343.358 2.829 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1C ZINC001347725308 1332768831 /nfs/dbraw/zinc/76/88/31/1332768831.db2.gz LHQSAJBFKHTAJZ-UHFFFAOYSA-N 1 2 348.428 2.803 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001347748884 1332770857 /nfs/dbraw/zinc/77/08/57/1332770857.db2.gz LHLHTWVTIKJMCE-UHFFFAOYSA-N 1 2 347.350 2.879 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC001347891233 1332782051 /nfs/dbraw/zinc/78/20/51/1332782051.db2.gz SQFGOORREROQLC-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO CC[N@@H+]1CCO[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609732 1332853012 /nfs/dbraw/zinc/85/30/12/1332853012.db2.gz XPWKSBWIZGIPTR-AWEZNQCLSA-N 1 2 332.360 2.655 20 5 EFBDLO CC[N@H+]1CCO[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609732 1332853017 /nfs/dbraw/zinc/85/30/17/1332853017.db2.gz XPWKSBWIZGIPTR-AWEZNQCLSA-N 1 2 332.360 2.655 20 5 EFBDLO Cc1c(CC(=O)N2CCC(c3c[nH+]cn3C)CC2)cccc1[N+](=O)[O-] ZINC001348677022 1332858980 /nfs/dbraw/zinc/85/89/80/1332858980.db2.gz AEPYPKMLGYKKHT-UHFFFAOYSA-N 1 2 342.399 2.585 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304941 1333514123 /nfs/dbraw/zinc/51/41/23/1333514123.db2.gz AKPYNPLPFKEEDW-SNVBAGLBSA-N 1 2 336.779 2.809 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304941 1333514129 /nfs/dbraw/zinc/51/41/29/1333514129.db2.gz AKPYNPLPFKEEDW-SNVBAGLBSA-N 1 2 336.779 2.809 20 5 EFBDLO COc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001355215213 1334719061 /nfs/dbraw/zinc/71/90/61/1334719061.db2.gz SWEMWFFDSACPDG-UHFFFAOYSA-N 1 2 343.387 2.996 20 5 EFBDLO CC(=O)[C@@H](C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849766354 1335742733 /nfs/dbraw/zinc/74/27/33/1335742733.db2.gz GNMVEMOGXIDRDC-NSHDSACASA-N 1 2 331.328 2.553 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1[N+](=O)[O-] ZINC000892223089 715373394 /nfs/dbraw/zinc/37/33/94/715373394.db2.gz FELJPXJIMQZFPY-AWEZNQCLSA-N 1 2 346.387 2.688 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1[N+](=O)[O-] ZINC000892223089 715373397 /nfs/dbraw/zinc/37/33/97/715373397.db2.gz FELJPXJIMQZFPY-AWEZNQCLSA-N 1 2 346.387 2.688 20 5 EFBDLO C[C@H]1CCC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000052085580 715981961 /nfs/dbraw/zinc/98/19/61/715981961.db2.gz AIEZDGCIYVKWHZ-AWEZNQCLSA-N 1 2 342.399 2.898 20 5 EFBDLO C[C@H]1CCC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000052085580 715981963 /nfs/dbraw/zinc/98/19/63/715981963.db2.gz AIEZDGCIYVKWHZ-AWEZNQCLSA-N 1 2 342.399 2.898 20 5 EFBDLO C[C@H]([N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1(C)CC1 ZINC000176832921 716752863 /nfs/dbraw/zinc/75/28/63/716752863.db2.gz CTHRCQXGGYOAST-ZDUSSCGKSA-N 1 2 342.399 2.896 20 5 EFBDLO C[C@H]([N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1(C)CC1 ZINC000176832921 716752867 /nfs/dbraw/zinc/75/28/67/716752867.db2.gz CTHRCQXGGYOAST-ZDUSSCGKSA-N 1 2 342.399 2.896 20 5 EFBDLO CCOC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000896962289 723916599 /nfs/dbraw/zinc/91/65/99/723916599.db2.gz KBPYKNBUPSMTFO-JTQLQIEISA-N 1 2 344.314 2.581 20 5 EFBDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000896962289 723916601 /nfs/dbraw/zinc/91/66/01/723916601.db2.gz KBPYKNBUPSMTFO-JTQLQIEISA-N 1 2 344.314 2.581 20 5 EFBDLO O=C(C1CCC1)N1CC2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981572250 718819441 /nfs/dbraw/zinc/81/94/41/718819441.db2.gz YJETZMFBGKMVJK-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO O=C(C1CCC1)N1CC2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981572250 718819446 /nfs/dbraw/zinc/81/94/46/718819446.db2.gz YJETZMFBGKMVJK-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO CC1(C(=O)N2CC3(C2)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C3)CC1 ZINC000981786788 719034641 /nfs/dbraw/zinc/03/46/41/719034641.db2.gz VUVOFYPVTBYSHU-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO CC1(C(=O)N2CC3(C2)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C3)CC1 ZINC000981786788 719034643 /nfs/dbraw/zinc/03/46/43/719034643.db2.gz VUVOFYPVTBYSHU-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)C1 ZINC001025764709 719310546 /nfs/dbraw/zinc/31/05/46/719310546.db2.gz AVCHBRZBFLIEIT-NHAGDIPZSA-N 1 2 349.456 2.639 20 5 EFBDLO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)C1 ZINC001025764709 719310548 /nfs/dbraw/zinc/31/05/48/719310548.db2.gz AVCHBRZBFLIEIT-NHAGDIPZSA-N 1 2 349.456 2.639 20 5 EFBDLO CC1(C)CC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000840519261 724803200 /nfs/dbraw/zinc/80/32/00/724803200.db2.gz PMMPQSVPAMGDQH-CQSZACIVSA-N 1 2 343.339 2.695 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535144 722774846 /nfs/dbraw/zinc/77/48/46/722774846.db2.gz IGEQUUOCWNBXIJ-BBRMVZONSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535144 722774847 /nfs/dbraw/zinc/77/48/47/722774847.db2.gz IGEQUUOCWNBXIJ-BBRMVZONSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535145 722774928 /nfs/dbraw/zinc/77/49/28/722774928.db2.gz IGEQUUOCWNBXIJ-CJNGLKHVSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535145 722774930 /nfs/dbraw/zinc/77/49/30/722774930.db2.gz IGEQUUOCWNBXIJ-CJNGLKHVSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(OC)n1 ZINC000894554450 722781192 /nfs/dbraw/zinc/78/11/92/722781192.db2.gz DFZRHQMRCQWYBT-UHFFFAOYSA-N 1 2 337.763 2.950 20 5 EFBDLO Cn1cc(C[NH+]2CC(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894891669 723008300 /nfs/dbraw/zinc/00/83/00/723008300.db2.gz BKQLKOYMZTYDJL-UHFFFAOYSA-N 1 2 340.305 2.989 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1C ZINC000896133752 723152678 /nfs/dbraw/zinc/15/26/78/723152678.db2.gz VEOSIULLNUHHCU-UHFFFAOYSA-N 1 2 327.340 2.510 20 5 EFBDLO CC[C@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000727825422 723178855 /nfs/dbraw/zinc/17/88/55/723178855.db2.gz QRFHRCFGNZXMTN-AWEZNQCLSA-N 1 2 328.372 2.650 20 5 EFBDLO CC[C@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000727825422 723178858 /nfs/dbraw/zinc/17/88/58/723178858.db2.gz QRFHRCFGNZXMTN-AWEZNQCLSA-N 1 2 328.372 2.650 20 5 EFBDLO O=C(/C=C/C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029253429 723181935 /nfs/dbraw/zinc/18/19/35/723181935.db2.gz NGQJGELOKAWBEM-NWOVIEQLSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(/C=C/C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029253429 723181940 /nfs/dbraw/zinc/18/19/40/723181940.db2.gz NGQJGELOKAWBEM-NWOVIEQLSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(C1=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029269264 723211675 /nfs/dbraw/zinc/21/16/75/723211675.db2.gz NOPIARBPBFVRHQ-HDICACEKSA-N 1 2 341.411 2.880 20 5 EFBDLO O=C(C1=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029269264 723211680 /nfs/dbraw/zinc/21/16/80/723211680.db2.gz NOPIARBPBFVRHQ-HDICACEKSA-N 1 2 341.411 2.880 20 5 EFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1Br ZINC000728197290 723843796 /nfs/dbraw/zinc/84/37/96/723843796.db2.gz UATGYXBMPKHJMZ-LLVKDONJSA-N 1 2 329.198 2.776 20 5 EFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2C2CCC2)cc1Br ZINC000728197290 723843798 /nfs/dbraw/zinc/84/37/98/723843798.db2.gz UATGYXBMPKHJMZ-LLVKDONJSA-N 1 2 329.198 2.776 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029560106 723939198 /nfs/dbraw/zinc/93/91/98/723939198.db2.gz MXTSKZWQPZTZCU-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029560106 723939203 /nfs/dbraw/zinc/93/92/03/723939203.db2.gz MXTSKZWQPZTZCU-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO Cc1cn(C[NH+]2CCC(C)(C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709034 724142839 /nfs/dbraw/zinc/14/28/39/724142839.db2.gz NQDPBZDMALQFFC-UHFFFAOYSA-N 1 2 344.415 2.935 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC(C)(C)O1 ZINC000728899126 724876972 /nfs/dbraw/zinc/87/69/72/724876972.db2.gz ORADGTSCCMWAPY-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC(C)(C)O1 ZINC000728899126 724876975 /nfs/dbraw/zinc/87/69/75/724876975.db2.gz ORADGTSCCMWAPY-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913684041 725813721 /nfs/dbraw/zinc/81/37/21/725813721.db2.gz CPBISTSBESKVHM-KBPBESRZSA-N 1 2 343.408 2.755 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913684041 725813724 /nfs/dbraw/zinc/81/37/24/725813724.db2.gz CPBISTSBESKVHM-KBPBESRZSA-N 1 2 343.408 2.755 20 5 EFBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000729339187 726316339 /nfs/dbraw/zinc/31/63/39/726316339.db2.gz VDJWMLBVVUQVDR-HNNXBMFYSA-N 1 2 346.387 2.645 20 5 EFBDLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000732211834 727005512 /nfs/dbraw/zinc/00/55/12/727005512.db2.gz HFNKSLGKBDLJMI-CYBMUJFWSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000732211834 727005516 /nfs/dbraw/zinc/00/55/16/727005516.db2.gz HFNKSLGKBDLJMI-CYBMUJFWSA-N 1 2 335.379 2.711 20 5 EFBDLO Cc1cn(C[N@@H+]2CCCC(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000732979559 727614856 /nfs/dbraw/zinc/61/48/56/727614856.db2.gz GPUUAPRGKPEBRJ-UHFFFAOYSA-N 1 2 344.415 2.935 20 5 EFBDLO Cc1cn(C[N@H+]2CCCC(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000732979559 727614859 /nfs/dbraw/zinc/61/48/59/727614859.db2.gz GPUUAPRGKPEBRJ-UHFFFAOYSA-N 1 2 344.415 2.935 20 5 EFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653945 727732846 /nfs/dbraw/zinc/73/28/46/727732846.db2.gz XFBGFLIHLZDUDR-AWEZNQCLSA-N 1 2 340.383 2.723 20 5 EFBDLO COc1cccc(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000913055626 727775371 /nfs/dbraw/zinc/77/53/71/727775371.db2.gz RNMOXYTZIBDUEA-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO COc1cccc(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000913055626 727775373 /nfs/dbraw/zinc/77/53/73/727775373.db2.gz RNMOXYTZIBDUEA-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO CNC(=O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000917366422 727798094 /nfs/dbraw/zinc/79/80/94/727798094.db2.gz WVQWDENCPNRBTL-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000917366422 727798096 /nfs/dbraw/zinc/79/80/96/727798096.db2.gz WVQWDENCPNRBTL-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO COc1ccc(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000044756185 727928864 /nfs/dbraw/zinc/92/88/64/727928864.db2.gz SJRWMCHEBQYSNA-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000044756185 727928868 /nfs/dbraw/zinc/92/88/68/727928868.db2.gz SJRWMCHEBQYSNA-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000058519124 728188160 /nfs/dbraw/zinc/18/81/60/728188160.db2.gz NWLOWYZVEJRDCP-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO O=C(OCc1cncs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000129922367 728420516 /nfs/dbraw/zinc/42/05/16/728420516.db2.gz VQELVUZGJGOFPO-UHFFFAOYSA-N 1 2 330.325 2.594 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)cc1 ZINC000172715145 728604056 /nfs/dbraw/zinc/60/40/56/728604056.db2.gz IPTOFTBQBUQEBZ-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO COc1ccc2c(c1)C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000064028735 728667826 /nfs/dbraw/zinc/66/78/26/728667826.db2.gz PERYSVYKRBLLMW-UHFFFAOYSA-N 1 2 338.367 2.969 20 5 EFBDLO COc1ccc2c(c1)C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000064028735 728667827 /nfs/dbraw/zinc/66/78/27/728667827.db2.gz PERYSVYKRBLLMW-UHFFFAOYSA-N 1 2 338.367 2.969 20 5 EFBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000174920013 729465645 /nfs/dbraw/zinc/46/56/45/729465645.db2.gz ZUTKMILHECWRKB-MRVPVSSYSA-N 1 2 329.234 2.888 20 5 EFBDLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(N)c([N+](=O)[O-])c1 ZINC000175321946 729494149 /nfs/dbraw/zinc/49/41/49/729494149.db2.gz YUIVCRRGTPLYBA-UHFFFAOYSA-N 1 2 337.339 2.923 20 5 EFBDLO C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001576179207 1088981083 /nfs/dbraw/zinc/98/10/83/1088981083.db2.gz AVKNNCSEXJJYCS-RFAUZJTJSA-N 1 2 335.310 2.750 20 5 EFBDLO COCc1ccccc1COC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579093994 1090517057 /nfs/dbraw/zinc/51/70/57/1090517057.db2.gz SUZJJVPAGAGJDM-SFHVURJKSA-N 1 2 344.367 2.659 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cc[nH+]c(N)c1 ZINC001167618856 1093120469 /nfs/dbraw/zinc/12/04/69/1093120469.db2.gz OCYBCESPMKMGNT-UHFFFAOYSA-N 1 2 336.735 2.624 20 5 EFBDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038483 1093232690 /nfs/dbraw/zinc/23/26/90/1093232690.db2.gz AWFZUXWSTMXTQT-LLVKDONJSA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001590038483 1093232695 /nfs/dbraw/zinc/23/26/95/1093232695.db2.gz AWFZUXWSTMXTQT-LLVKDONJSA-N 1 2 336.355 2.852 20 5 EFBDLO Cc1cc(NCc2c[nH]c(C(C)C)[nH+]2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592052411 1093967026 /nfs/dbraw/zinc/96/70/26/1093967026.db2.gz JVDRGHQXCCTPJW-UHFFFAOYSA-N 1 2 342.363 2.542 20 5 EFBDLO O=[N+]([O-])c1cc(Oc2cccc(-n3cc[nH+]c3)c2)ccc1-c1nn[nH]n1 ZINC001593474652 1094317379 /nfs/dbraw/zinc/31/73/79/1094317379.db2.gz ROQPCRCDHPOABB-UHFFFAOYSA-N 1 2 349.310 2.753 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1Br ZINC000690774475 1094571079 /nfs/dbraw/zinc/57/10/79/1094571079.db2.gz FISXMYUYBCECPK-YPMHNXCESA-N 1 2 341.205 2.968 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1Br ZINC000690774475 1094571085 /nfs/dbraw/zinc/57/10/85/1094571085.db2.gz FISXMYUYBCECPK-YPMHNXCESA-N 1 2 341.205 2.968 20 5 EFBDLO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218008459 1095383506 /nfs/dbraw/zinc/38/35/06/1095383506.db2.gz YHLLQVWYKVQCEU-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914558 1098069741 /nfs/dbraw/zinc/06/97/41/1098069741.db2.gz XJTTYZNPDXUWMY-CQSZACIVSA-N 1 2 347.415 2.601 20 5 EFBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914558 1098069749 /nfs/dbraw/zinc/06/97/49/1098069749.db2.gz XJTTYZNPDXUWMY-CQSZACIVSA-N 1 2 347.415 2.601 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CO)c(Br)c1 ZINC000050104295 1100683786 /nfs/dbraw/zinc/68/37/86/1100683786.db2.gz RNCPWBARGGVWMK-LBPRGKRZSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CO)c(Br)c1 ZINC000050104295 1100683789 /nfs/dbraw/zinc/68/37/89/1100683789.db2.gz RNCPWBARGGVWMK-LBPRGKRZSA-N 1 2 329.194 2.704 20 5 EFBDLO CC1(C)CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000840579123 1101145965 /nfs/dbraw/zinc/14/59/65/1101145965.db2.gz BJJMPKHGVWWEMP-CQSZACIVSA-N 1 2 343.339 2.695 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1Cl ZINC000192935926 1103154402 /nfs/dbraw/zinc/15/44/02/1103154402.db2.gz YHQNOGKSLYAGOV-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO C[C@H]1[C@@H](C)[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C ZINC000841694952 1104627252 /nfs/dbraw/zinc/62/72/52/1104627252.db2.gz YRYSDRFHTOVRRL-MGPQQGTHSA-N 1 2 342.399 2.752 20 5 EFBDLO C[C@H]1[C@@H](C)[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C ZINC000841694952 1104627255 /nfs/dbraw/zinc/62/72/55/1104627255.db2.gz YRYSDRFHTOVRRL-MGPQQGTHSA-N 1 2 342.399 2.752 20 5 EFBDLO O=C1CCCN1C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000897785847 1106095568 /nfs/dbraw/zinc/09/55/68/1106095568.db2.gz AHDQOPDDVRMGJU-UHFFFAOYSA-N 1 2 341.367 2.661 20 5 EFBDLO CC(C)(C)c1cnc(NCC2([NH+]3CCCC3)COC2)c([N+](=O)[O-])c1 ZINC001168443152 1108459849 /nfs/dbraw/zinc/45/98/49/1108459849.db2.gz BCAIXRVLLUPDHW-UHFFFAOYSA-N 1 2 334.420 2.564 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1C ZINC000128542634 1109347774 /nfs/dbraw/zinc/34/77/74/1109347774.db2.gz JREFDVSAHCXEFV-UHFFFAOYSA-N 1 2 347.346 2.993 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000914785583 1111376926 /nfs/dbraw/zinc/37/69/26/1111376926.db2.gz KIDITNXMOJQYAW-ZDUSSCGKSA-N 1 2 336.779 2.946 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000914785583 1111376931 /nfs/dbraw/zinc/37/69/31/1111376931.db2.gz KIDITNXMOJQYAW-ZDUSSCGKSA-N 1 2 336.779 2.946 20 5 EFBDLO Cn1ncc2c1nc[nH+]c2SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000054916190 214261232 /nfs/dbraw/zinc/26/12/32/214261232.db2.gz YCVSOSGFGZLEPJ-UHFFFAOYSA-N 1 2 345.384 2.833 20 5 EFBDLO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000174663777 231273414 /nfs/dbraw/zinc/27/34/14/231273414.db2.gz UDIDSUVXRSMUPK-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000174663777 231273418 /nfs/dbraw/zinc/27/34/18/231273418.db2.gz UDIDSUVXRSMUPK-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000174812966 231316629 /nfs/dbraw/zinc/31/66/29/231316629.db2.gz BAFJMXGHHBWPOQ-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154336270 529717919 /nfs/dbraw/zinc/71/79/19/529717919.db2.gz TWRGTYSBUXEJCH-IRXDYDNUSA-N 1 2 346.383 2.857 20 5 EFBDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154336270 529717920 /nfs/dbraw/zinc/71/79/20/529717920.db2.gz TWRGTYSBUXEJCH-IRXDYDNUSA-N 1 2 346.383 2.857 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000101558127 219136836 /nfs/dbraw/zinc/13/68/36/219136836.db2.gz YAGOOFNBPPRIAO-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@H](N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178271507 232122039 /nfs/dbraw/zinc/12/20/39/232122039.db2.gz LMBAOZCWXCTUOF-LBPRGKRZSA-N 1 2 331.338 2.706 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067400174 215140304 /nfs/dbraw/zinc/14/03/04/215140304.db2.gz RZARCJPYLHCDEH-CQSZACIVSA-N 1 2 346.412 2.597 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067400174 215140308 /nfs/dbraw/zinc/14/03/08/215140308.db2.gz RZARCJPYLHCDEH-CQSZACIVSA-N 1 2 346.412 2.597 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000068422461 215306429 /nfs/dbraw/zinc/30/64/29/215306429.db2.gz GZVYZDQCLVXVPP-UHFFFAOYSA-N 1 2 332.335 2.751 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC(C)(C)O1 ZINC000068475475 215311048 /nfs/dbraw/zinc/31/10/48/215311048.db2.gz OSGZHTPLPILTAJ-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC(C)(C)O1 ZINC000068475475 215311051 /nfs/dbraw/zinc/31/10/51/215311051.db2.gz OSGZHTPLPILTAJ-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO Cc1c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181792983 234323687 /nfs/dbraw/zinc/32/36/87/234323687.db2.gz ZXPWZDSDKJUUQC-INIZCTEOSA-N 1 2 348.424 2.779 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000182638042 234701625 /nfs/dbraw/zinc/70/16/25/234701625.db2.gz KMQROHAFJBPEAZ-GFCCVEGCSA-N 1 2 332.360 2.831 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000182638042 234701627 /nfs/dbraw/zinc/70/16/27/234701627.db2.gz KMQROHAFJBPEAZ-GFCCVEGCSA-N 1 2 332.360 2.831 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2[nH+]ccn21 ZINC000456441679 291077748 /nfs/dbraw/zinc/07/77/48/291077748.db2.gz ZIUKLAROCMJKRM-JOYOIKCWSA-N 1 2 325.328 2.708 20 5 EFBDLO Cc1c(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000130145387 223126478 /nfs/dbraw/zinc/12/64/78/223126478.db2.gz MOWINPXINUIVPZ-CXAGYDPISA-N 1 2 342.399 2.752 20 5 EFBDLO Cc1c(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000130145523 223126828 /nfs/dbraw/zinc/12/68/28/223126828.db2.gz MOWINPXINUIVPZ-GUYCJALGSA-N 1 2 342.399 2.752 20 5 EFBDLO CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nccs1 ZINC000130858876 223182468 /nfs/dbraw/zinc/18/24/68/223182468.db2.gz KTCMKVGMONLEDE-UHFFFAOYSA-N 1 2 346.412 2.679 20 5 EFBDLO CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nccs1 ZINC000130858876 223182471 /nfs/dbraw/zinc/18/24/71/223182471.db2.gz KTCMKVGMONLEDE-UHFFFAOYSA-N 1 2 346.412 2.679 20 5 EFBDLO CN(C(=O)C[NH+]1CCC(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000072802065 216308798 /nfs/dbraw/zinc/30/87/98/216308798.db2.gz QVPYQGNZNSQPEK-UHFFFAOYSA-N 1 2 345.321 2.832 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000072836261 216313291 /nfs/dbraw/zinc/31/32/91/216313291.db2.gz JNVXWIRZGOORHN-HNNXBMFYSA-N 1 2 337.445 2.915 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072836261 216313294 /nfs/dbraw/zinc/31/32/94/216313294.db2.gz JNVXWIRZGOORHN-HNNXBMFYSA-N 1 2 337.445 2.915 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000072862969 216321020 /nfs/dbraw/zinc/32/10/20/216321020.db2.gz YEQVARFKBAIDNB-ZDUSSCGKSA-N 1 2 334.401 2.972 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000072862969 216321023 /nfs/dbraw/zinc/32/10/23/216321023.db2.gz YEQVARFKBAIDNB-ZDUSSCGKSA-N 1 2 334.401 2.972 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072978669 216335692 /nfs/dbraw/zinc/33/56/92/216335692.db2.gz NKSLXHFDSXSUMD-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072978669 216335696 /nfs/dbraw/zinc/33/56/96/216335696.db2.gz NKSLXHFDSXSUMD-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160878397 239060147 /nfs/dbraw/zinc/06/01/47/239060147.db2.gz CMIHCFFSPKMGMR-CYBMUJFWSA-N 1 2 343.387 2.554 20 5 EFBDLO Cc1cc(C)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000175102585 239256801 /nfs/dbraw/zinc/25/68/01/239256801.db2.gz ZUUWVQVMXZJBFM-UHFFFAOYSA-N 1 2 328.372 2.990 20 5 EFBDLO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1 ZINC000193438773 240165088 /nfs/dbraw/zinc/16/50/88/240165088.db2.gz UUGDIMHBSFQKRI-UHFFFAOYSA-N 1 2 347.806 2.548 20 5 EFBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193632157 240242089 /nfs/dbraw/zinc/24/20/89/240242089.db2.gz HIBHZAIXCAMZSC-UHFFFAOYSA-N 1 2 345.311 2.864 20 5 EFBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193632157 240242096 /nfs/dbraw/zinc/24/20/96/240242096.db2.gz HIBHZAIXCAMZSC-UHFFFAOYSA-N 1 2 345.311 2.864 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000075594820 216642376 /nfs/dbraw/zinc/64/23/76/216642376.db2.gz ASCIDPQCWLMMHG-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H](C)[NH+]1C ZINC000358693539 242130904 /nfs/dbraw/zinc/13/09/04/242130904.db2.gz ZESTZJMDBYGMPB-ZIAGYGMSSA-N 1 2 349.434 2.846 20 5 EFBDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245440617 243114202 /nfs/dbraw/zinc/11/42/02/243114202.db2.gz GQCQEIKRPNLDSG-IUODEOHRSA-N 1 2 337.445 2.995 20 5 EFBDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245440617 243114212 /nfs/dbraw/zinc/11/42/12/243114212.db2.gz GQCQEIKRPNLDSG-IUODEOHRSA-N 1 2 337.445 2.995 20 5 EFBDLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000412274794 243242660 /nfs/dbraw/zinc/24/26/60/243242660.db2.gz CQTRXAKZRDQSQC-ZNMIVQPWSA-N 1 2 328.372 2.935 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412371615 243293125 /nfs/dbraw/zinc/29/31/25/243293125.db2.gz YGSBKCKXTVEZGT-UHFFFAOYSA-N 1 2 345.355 2.716 20 5 EFBDLO CCn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000414485699 244192558 /nfs/dbraw/zinc/19/25/58/244192558.db2.gz RRQMFJCYQNZBBM-UHFFFAOYSA-N 1 2 326.303 2.702 20 5 EFBDLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414537874 244216963 /nfs/dbraw/zinc/21/69/63/244216963.db2.gz AFAZTFURXLGWPK-NSHDSACASA-N 1 2 348.428 2.721 20 5 EFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000111631020 220172480 /nfs/dbraw/zinc/17/24/80/220172480.db2.gz XQVHWEWQNMASSB-ZDUSSCGKSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC000111631020 220172483 /nfs/dbraw/zinc/17/24/83/220172483.db2.gz XQVHWEWQNMASSB-ZDUSSCGKSA-N 1 2 343.383 2.551 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576740 246021755 /nfs/dbraw/zinc/02/17/55/246021755.db2.gz NHCVBDPFQOTTPQ-UHFFFAOYSA-N 1 2 329.356 2.935 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000421552059 246014900 /nfs/dbraw/zinc/01/49/00/246014900.db2.gz JUWCPKXEEBDYJP-UHFFFAOYSA-N 1 2 334.401 2.982 20 5 EFBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462024 247095015 /nfs/dbraw/zinc/09/50/15/247095015.db2.gz TYLQYPZYTZCPKT-HOGDKLEQSA-N 1 2 349.250 2.556 20 5 EFBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462024 247095020 /nfs/dbraw/zinc/09/50/20/247095020.db2.gz TYLQYPZYTZCPKT-HOGDKLEQSA-N 1 2 349.250 2.556 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000426079738 247233486 /nfs/dbraw/zinc/23/34/86/247233486.db2.gz OKUBIADBKYEKME-SECBINFHSA-N 1 2 335.751 2.581 20 5 EFBDLO Cc1ccnc(NCCc2[nH+]c3ccc(F)cc3n2C)c1[N+](=O)[O-] ZINC000266205246 248171899 /nfs/dbraw/zinc/17/18/99/248171899.db2.gz FDDBPHGPKVWNIF-UHFFFAOYSA-N 1 2 329.335 2.979 20 5 EFBDLO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266547812 248354915 /nfs/dbraw/zinc/35/49/15/248354915.db2.gz SEDMNZMSAZZAIG-CHWSQXEVSA-N 1 2 345.403 2.726 20 5 EFBDLO CO[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000091772408 218063598 /nfs/dbraw/zinc/06/35/98/218063598.db2.gz BDYNJJKHRRNHTJ-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000091772408 218063601 /nfs/dbraw/zinc/06/36/01/218063601.db2.gz BDYNJJKHRRNHTJ-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000432049924 284727995 /nfs/dbraw/zinc/72/79/95/284727995.db2.gz XJMRDYKXEOTPRF-CABCVRRESA-N 1 2 349.431 2.931 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000092550099 218149501 /nfs/dbraw/zinc/14/95/01/218149501.db2.gz XNZXJQQCCCKQHU-GFCCVEGCSA-N 1 2 333.388 2.894 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000092550099 218149504 /nfs/dbraw/zinc/14/95/04/218149504.db2.gz XNZXJQQCCCKQHU-GFCCVEGCSA-N 1 2 333.388 2.894 20 5 EFBDLO Cc1cc(C)n2c(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc2n1 ZINC000093338313 218215751 /nfs/dbraw/zinc/21/57/51/218215751.db2.gz RIOFKUNMUDHHBU-UHFFFAOYSA-N 1 2 337.383 2.813 20 5 EFBDLO Cc1cc(C)n2c(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc2n1 ZINC000093338313 218215754 /nfs/dbraw/zinc/21/57/54/218215754.db2.gz RIOFKUNMUDHHBU-UHFFFAOYSA-N 1 2 337.383 2.813 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093646728 218237979 /nfs/dbraw/zinc/23/79/79/218237979.db2.gz SPVXKFFXXHCBFR-ZBFHGGJFSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093646728 218237982 /nfs/dbraw/zinc/23/79/82/218237982.db2.gz SPVXKFFXXHCBFR-ZBFHGGJFSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000094167147 218267400 /nfs/dbraw/zinc/26/74/00/218267400.db2.gz YSPPBAGXWLGNGX-NSHDSACASA-N 1 2 330.388 2.783 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095401833 218336360 /nfs/dbraw/zinc/33/63/60/218336360.db2.gz AFWKVZSNVGWCQX-HNNXBMFYSA-N 1 2 330.388 2.565 20 5 EFBDLO C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448566291 250720204 /nfs/dbraw/zinc/72/02/04/250720204.db2.gz OTKUHFQBVNXRAG-BETUJISGSA-N 1 2 328.372 2.899 20 5 EFBDLO CCC[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449373435 251002272 /nfs/dbraw/zinc/00/22/72/251002272.db2.gz BUSPCFKNSSKWCS-JKSUJKDBSA-N 1 2 332.404 2.822 20 5 EFBDLO CSCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449944149 251206663 /nfs/dbraw/zinc/20/66/63/251206663.db2.gz GCEZHCJKVXFUBT-LBPRGKRZSA-N 1 2 348.428 2.994 20 5 EFBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000450418485 251381088 /nfs/dbraw/zinc/38/10/88/251381088.db2.gz MCRMAVFEHVIBSP-ZDUSSCGKSA-N 1 2 345.378 2.716 20 5 EFBDLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452835447 251981643 /nfs/dbraw/zinc/98/16/43/251981643.db2.gz CMFWALHQWVQSIK-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268694336 252145986 /nfs/dbraw/zinc/14/59/86/252145986.db2.gz PTDJHRHHIJSQQC-MOPGFXCFSA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268694336 252145991 /nfs/dbraw/zinc/14/59/91/252145991.db2.gz PTDJHRHHIJSQQC-MOPGFXCFSA-N 1 2 342.395 2.919 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000454129656 252150328 /nfs/dbraw/zinc/15/03/28/252150328.db2.gz GDDWEZLRDXIYGI-JTQLQIEISA-N 1 2 333.348 2.703 20 5 EFBDLO Cc1cc(N2CCO[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268800507 252254014 /nfs/dbraw/zinc/25/40/14/252254014.db2.gz JGBLIIGWZMTXTQ-QWHCGFSZSA-N 1 2 328.372 2.974 20 5 EFBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000093390851 285098502 /nfs/dbraw/zinc/09/85/02/285098502.db2.gz MFJRXSQQANCUAH-CYBMUJFWSA-N 1 2 342.461 2.973 20 5 EFBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000093390851 285098503 /nfs/dbraw/zinc/09/85/03/285098503.db2.gz MFJRXSQQANCUAH-CYBMUJFWSA-N 1 2 342.461 2.973 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000182194384 285112581 /nfs/dbraw/zinc/11/25/81/285112581.db2.gz XYDRNWVLAVOJLJ-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000174013136 285116214 /nfs/dbraw/zinc/11/62/14/285116214.db2.gz BZXAJDAVPMCMEL-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926004 224177022 /nfs/dbraw/zinc/17/70/22/224177022.db2.gz VOYQUSOMOKXVKE-NXEZZACHSA-N 1 2 334.825 2.502 20 5 EFBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926004 224177024 /nfs/dbraw/zinc/17/70/24/224177024.db2.gz VOYQUSOMOKXVKE-NXEZZACHSA-N 1 2 334.825 2.502 20 5 EFBDLO CO[C@@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000467006538 256007957 /nfs/dbraw/zinc/00/79/57/256007957.db2.gz OYCYPGYIESQPEI-HNNXBMFYSA-N 1 2 330.388 2.865 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000119733540 221389424 /nfs/dbraw/zinc/38/94/24/221389424.db2.gz YZTDXXMGGRPYEE-UHFFFAOYSA-N 1 2 326.303 2.562 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000119733540 221389426 /nfs/dbraw/zinc/38/94/26/221389426.db2.gz YZTDXXMGGRPYEE-UHFFFAOYSA-N 1 2 326.303 2.562 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000155090843 224356345 /nfs/dbraw/zinc/35/63/45/224356345.db2.gz NZEINTGJCIPESL-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345004105 142110401 /nfs/dbraw/zinc/11/04/01/142110401.db2.gz CUPQIQFWPZGAMP-UHFFFAOYSA-N 1 2 340.792 2.722 20 5 EFBDLO Cc1sc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000346027601 142135976 /nfs/dbraw/zinc/13/59/76/142135976.db2.gz BVSORQLJYRFARV-GFCCVEGCSA-N 1 2 333.369 2.653 20 5 EFBDLO CN(C)c1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000346164282 142159131 /nfs/dbraw/zinc/15/91/31/142159131.db2.gz HZEGGPAEZDVBAR-UHFFFAOYSA-N 1 2 334.763 2.639 20 5 EFBDLO COC(=O)C(C)(C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347952777 142299115 /nfs/dbraw/zinc/29/91/15/142299115.db2.gz APTDJVPPDFGRRB-UHFFFAOYSA-N 1 2 347.371 2.676 20 5 EFBDLO COC(=O)C(C)(C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347952777 142299116 /nfs/dbraw/zinc/29/91/16/142299116.db2.gz APTDJVPPDFGRRB-UHFFFAOYSA-N 1 2 347.371 2.676 20 5 EFBDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 ZINC000349543136 142336139 /nfs/dbraw/zinc/33/61/39/142336139.db2.gz FLDYASVDQZEIRF-CQSZACIVSA-N 1 2 342.399 2.995 20 5 EFBDLO CN(Cc1ccco1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349548496 142336646 /nfs/dbraw/zinc/33/66/46/142336646.db2.gz VYZXQGMUHLTGBL-UHFFFAOYSA-N 1 2 331.372 2.656 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349848200 142367071 /nfs/dbraw/zinc/36/70/71/142367071.db2.gz IIXHQQHVRCWLJW-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349848200 142367073 /nfs/dbraw/zinc/36/70/73/142367073.db2.gz IIXHQQHVRCWLJW-AWEZNQCLSA-N 1 2 332.360 2.735 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(C2CCC2)C1 ZINC000341296270 145028841 /nfs/dbraw/zinc/02/88/41/145028841.db2.gz JCXBMXFEIPIOTM-UHFFFAOYSA-N 1 2 326.356 2.653 20 5 EFBDLO O=C(Nc1ccc2[nH]cnc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342769342 145188528 /nfs/dbraw/zinc/18/85/28/145188528.db2.gz OATGLKWPGRJNGZ-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO COc1cc(NCc2ccccc2[N+](=O)[O-])[nH+]cc1Br ZINC000342819403 145201212 /nfs/dbraw/zinc/20/12/12/145201212.db2.gz BJXOWRSVNTYSSX-UHFFFAOYSA-N 1 2 338.161 2.795 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000343574009 145242263 /nfs/dbraw/zinc/24/22/63/145242263.db2.gz KUFOGRWRXSLHPN-QGZVFWFLSA-N 1 2 346.408 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000343574009 145242265 /nfs/dbraw/zinc/24/22/65/145242265.db2.gz KUFOGRWRXSLHPN-QGZVFWFLSA-N 1 2 346.408 2.816 20 5 EFBDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000349237906 146068600 /nfs/dbraw/zinc/06/86/00/146068600.db2.gz JBJXQZNABBTHLL-IUCAKERBSA-N 1 2 338.751 2.914 20 5 EFBDLO COc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000350690086 146080738 /nfs/dbraw/zinc/08/07/38/146080738.db2.gz HLKPLHJIYLIZDJ-AWEZNQCLSA-N 1 2 345.359 2.610 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)c2cccc(F)c2)c(F)c1 ZINC000351722168 146187353 /nfs/dbraw/zinc/18/73/53/146187353.db2.gz VLBQUFNBFPYNTC-OAHLLOKOSA-N 1 2 326.274 2.835 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352896247 146343683 /nfs/dbraw/zinc/34/36/83/146343683.db2.gz ZTJXMWPYHUZUAB-STQMWFEESA-N 1 2 339.823 2.543 20 5 EFBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352954254 146358410 /nfs/dbraw/zinc/35/84/10/146358410.db2.gz FCYLVWPIXMBJLC-UHFFFAOYSA-N 1 2 325.284 2.758 20 5 EFBDLO CCc1nn(C)cc1N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353600593 146520919 /nfs/dbraw/zinc/52/09/19/146520919.db2.gz YUBJAFCUWKSFJH-INIZCTEOSA-N 1 2 340.387 2.826 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)s1 ZINC000355744422 147051317 /nfs/dbraw/zinc/05/13/17/147051317.db2.gz DKNHDYHHXIGXGH-UHFFFAOYSA-N 1 2 327.325 2.945 20 5 EFBDLO COC(=O)COc1ccc(C[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355765132 147056841 /nfs/dbraw/zinc/05/68/41/147056841.db2.gz XSYPGCIHLCVDOX-UHFFFAOYSA-N 1 2 342.351 2.662 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000355788773 147063919 /nfs/dbraw/zinc/06/39/19/147063919.db2.gz QMRZJBMBKDNMSL-GFCCVEGCSA-N 1 2 336.417 2.571 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000355788773 147063923 /nfs/dbraw/zinc/06/39/23/147063923.db2.gz QMRZJBMBKDNMSL-GFCCVEGCSA-N 1 2 336.417 2.571 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)[nH]1 ZINC000356006166 147121360 /nfs/dbraw/zinc/12/13/60/147121360.db2.gz HXEUDDYCONUTSD-UHFFFAOYSA-N 1 2 336.311 2.885 20 5 EFBDLO Cc1cccc2[nH+]cc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)n21 ZINC000356502218 147262042 /nfs/dbraw/zinc/26/20/42/147262042.db2.gz AJFCXVNDLCCPDY-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO CCc1nn(C)c(CC)c1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356526310 147267841 /nfs/dbraw/zinc/26/78/41/147267841.db2.gz MZEWIAHYKWHZCV-UHFFFAOYSA-N 1 2 344.415 2.848 20 5 EFBDLO CCc1nn(C)c(CC)c1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356526310 147267845 /nfs/dbraw/zinc/26/78/45/147267845.db2.gz MZEWIAHYKWHZCV-UHFFFAOYSA-N 1 2 344.415 2.848 20 5 EFBDLO CC(=O)Nc1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530278 147268687 /nfs/dbraw/zinc/26/86/87/147268687.db2.gz RECUDUWMDBYKOI-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO CC(=O)Nc1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530278 147268689 /nfs/dbraw/zinc/26/86/89/147268689.db2.gz RECUDUWMDBYKOI-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000358786359 147898374 /nfs/dbraw/zinc/89/83/74/147898374.db2.gz VZAVHYZLYLOWRK-OAHLLOKOSA-N 1 2 325.368 2.850 20 5 EFBDLO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000358786359 147898376 /nfs/dbraw/zinc/89/83/76/147898376.db2.gz VZAVHYZLYLOWRK-OAHLLOKOSA-N 1 2 325.368 2.850 20 5 EFBDLO Cc1ccc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660010 148153974 /nfs/dbraw/zinc/15/39/74/148153974.db2.gz IYQNBGDINXIZHM-CABCVRRESA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660010 148153976 /nfs/dbraw/zinc/15/39/76/148153976.db2.gz IYQNBGDINXIZHM-CABCVRRESA-N 1 2 347.394 2.661 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944515 149035554 /nfs/dbraw/zinc/03/55/54/149035554.db2.gz HKRSANRVYJGYGO-PSTGCABASA-N 1 2 347.371 2.504 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000363944515 149035556 /nfs/dbraw/zinc/03/55/56/149035556.db2.gz HKRSANRVYJGYGO-PSTGCABASA-N 1 2 347.371 2.504 20 5 EFBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000364945325 149281392 /nfs/dbraw/zinc/28/13/92/149281392.db2.gz CKGZOHSOTCMVME-JPQUEUOBSA-N 1 2 330.384 2.678 20 5 EFBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000364945325 149281394 /nfs/dbraw/zinc/28/13/94/149281394.db2.gz CKGZOHSOTCMVME-JPQUEUOBSA-N 1 2 330.384 2.678 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000368464117 150124496 /nfs/dbraw/zinc/12/44/96/150124496.db2.gz BOPLXYQRQLDAPA-UHFFFAOYSA-N 1 2 332.335 2.539 20 5 EFBDLO Cc1nccnc1N1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000374131687 151288589 /nfs/dbraw/zinc/28/85/89/151288589.db2.gz WCQWXZMNEPOZOA-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO COc1cccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn2C)c1 ZINC000374496343 151357120 /nfs/dbraw/zinc/35/71/20/151357120.db2.gz NMOGRBRWURYXOF-CYBMUJFWSA-N 1 2 345.384 2.995 20 5 EFBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+](C)C)cc1 ZINC000436867112 292254910 /nfs/dbraw/zinc/25/49/10/292254910.db2.gz AQWLPHRJITZWDQ-INIZCTEOSA-N 1 2 343.383 2.642 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3sccn3c1[N+](=O)[O-])CCC2 ZINC000378237717 152038854 /nfs/dbraw/zinc/03/88/54/152038854.db2.gz WCLLXEKNCJTHBI-SNVBAGLBSA-N 1 2 332.389 2.798 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456382256 286729443 /nfs/dbraw/zinc/72/94/43/286729443.db2.gz NASZAXKTVFDQAN-BXKDBHETSA-N 1 2 332.385 2.949 20 5 EFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122335321 222063892 /nfs/dbraw/zinc/06/38/92/222063892.db2.gz SZAZYBJSLCKQNP-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122335321 222063896 /nfs/dbraw/zinc/06/38/96/222063896.db2.gz SZAZYBJSLCKQNP-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO Cc1cc(C[NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000122344078 222067003 /nfs/dbraw/zinc/06/70/03/222067003.db2.gz TUIDSVXZQGAPFK-GQCTYLIASA-N 1 2 342.399 2.722 20 5 EFBDLO Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122451923 222090485 /nfs/dbraw/zinc/09/04/85/222090485.db2.gz XGWFKBDDCGTISX-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123131780 222221235 /nfs/dbraw/zinc/22/12/35/222221235.db2.gz SSTDFRAAEJQCEJ-CJNGLKHVSA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000123258271 222245640 /nfs/dbraw/zinc/24/56/40/222245640.db2.gz NAVLHCLIKKDQRV-HNNXBMFYSA-N 1 2 341.415 2.885 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123706784 222321504 /nfs/dbraw/zinc/32/15/04/222321504.db2.gz MTJNWBNJFLJTGA-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123706784 222321506 /nfs/dbraw/zinc/32/15/06/222321506.db2.gz MTJNWBNJFLJTGA-CYBMUJFWSA-N 1 2 343.383 2.652 20 5 EFBDLO C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124239754 222397560 /nfs/dbraw/zinc/39/75/60/222397560.db2.gz YUZFYUKRHIXBDR-YOEHRIQHSA-N 1 2 342.399 2.834 20 5 EFBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181952765 544938494 /nfs/dbraw/zinc/93/84/94/544938494.db2.gz WSVQRPZQXNKCEH-VIFPVBQESA-N 1 2 335.310 2.823 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(F)c1 ZINC000270918525 265845334 /nfs/dbraw/zinc/84/53/34/265845334.db2.gz ORFSPGQDPUHCGE-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO Cc1cc(N2CC[C@H]([C@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272411958 266256927 /nfs/dbraw/zinc/25/69/27/266256927.db2.gz CHKPRICCJIRSPT-JSGCOSHPSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1noc(C)c1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272472844 266275615 /nfs/dbraw/zinc/27/56/15/266275615.db2.gz APGFQPCCHLINDI-MRXNPFEDSA-N 1 2 341.371 2.812 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000272561501 266307813 /nfs/dbraw/zinc/30/78/13/266307813.db2.gz SFBUQTVUQCXWMX-UHFFFAOYSA-N 1 2 349.394 2.992 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272623992 266329237 /nfs/dbraw/zinc/32/92/37/266329237.db2.gz JHADAPJXXPBCJF-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272623992 266329239 /nfs/dbraw/zinc/32/92/39/266329239.db2.gz JHADAPJXXPBCJF-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc(N[C@H](C)c2ncn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275825698 266882115 /nfs/dbraw/zinc/88/21/15/266882115.db2.gz NQESTXIREDNTPT-LLVKDONJSA-N 1 2 339.359 2.662 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277346586 267160972 /nfs/dbraw/zinc/16/09/72/267160972.db2.gz GASJPDRSTYVJFV-UHFFFAOYSA-N 1 2 329.360 2.606 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277346586 267160975 /nfs/dbraw/zinc/16/09/75/267160975.db2.gz GASJPDRSTYVJFV-UHFFFAOYSA-N 1 2 329.360 2.606 20 5 EFBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000277754710 267254430 /nfs/dbraw/zinc/25/44/30/267254430.db2.gz KBULMKBKKAAOKS-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000277754710 267254433 /nfs/dbraw/zinc/25/44/33/267254433.db2.gz KBULMKBKKAAOKS-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000119295560 273017024 /nfs/dbraw/zinc/01/70/24/273017024.db2.gz XXKKNCLVGMYSFX-OCCSQVGLSA-N 1 2 328.372 2.540 20 5 EFBDLO CC[N@H+](Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1)C1CC1 ZINC000277908863 267295704 /nfs/dbraw/zinc/29/57/04/267295704.db2.gz MEUXSHYSUKRXRK-UHFFFAOYSA-N 1 2 332.360 2.562 20 5 EFBDLO CC[N@@H+](Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1)C1CC1 ZINC000277908863 267295707 /nfs/dbraw/zinc/29/57/07/267295707.db2.gz MEUXSHYSUKRXRK-UHFFFAOYSA-N 1 2 332.360 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278046996 267328286 /nfs/dbraw/zinc/32/82/86/267328286.db2.gz LORAQMKTODURLI-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278046996 267328289 /nfs/dbraw/zinc/32/82/89/267328289.db2.gz LORAQMKTODURLI-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278156542 267355883 /nfs/dbraw/zinc/35/58/83/267355883.db2.gz TWIXMYAVMKTIEP-BXUZGUMPSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278156542 267355885 /nfs/dbraw/zinc/35/58/85/267355885.db2.gz TWIXMYAVMKTIEP-BXUZGUMPSA-N 1 2 330.344 2.571 20 5 EFBDLO C[C@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000177403840 273036945 /nfs/dbraw/zinc/03/69/45/273036945.db2.gz RBJPSOXMSQRYSJ-MRXNPFEDSA-N 1 2 333.775 2.739 20 5 EFBDLO C[C@@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000177403858 273036962 /nfs/dbraw/zinc/03/69/62/273036962.db2.gz RBJPSOXMSQRYSJ-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ncc1[N+](=O)[O-] ZINC000274285433 273130338 /nfs/dbraw/zinc/13/03/38/273130338.db2.gz JCOXJAUFXWQUPS-GFCCVEGCSA-N 1 2 333.417 2.638 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000276968771 273144175 /nfs/dbraw/zinc/14/41/75/273144175.db2.gz AELLTFSFLZGPSC-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C2CC2)O1 ZINC000279384416 273209507 /nfs/dbraw/zinc/20/95/07/273209507.db2.gz TUPOLUQEXLKHFE-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C2CC2)O1 ZINC000279384416 273209509 /nfs/dbraw/zinc/20/95/09/273209509.db2.gz TUPOLUQEXLKHFE-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C2CC2)O1 ZINC000279384407 273209572 /nfs/dbraw/zinc/20/95/72/273209572.db2.gz TUPOLUQEXLKHFE-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C2CC2)O1 ZINC000279384407 273209574 /nfs/dbraw/zinc/20/95/74/273209574.db2.gz TUPOLUQEXLKHFE-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279393275 273210410 /nfs/dbraw/zinc/21/04/10/273210410.db2.gz ULHFZRLJBDSBKO-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279393275 273210411 /nfs/dbraw/zinc/21/04/11/273210411.db2.gz ULHFZRLJBDSBKO-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280122693 273293344 /nfs/dbraw/zinc/29/33/44/273293344.db2.gz BTSPABBSISJBBA-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280122693 273293345 /nfs/dbraw/zinc/29/33/45/273293345.db2.gz BTSPABBSISJBBA-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490897 273333603 /nfs/dbraw/zinc/33/36/03/273333603.db2.gz QEUBQPLCEOHYMZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490897 273333605 /nfs/dbraw/zinc/33/36/05/273333605.db2.gz QEUBQPLCEOHYMZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000281884011 273482068 /nfs/dbraw/zinc/48/20/68/273482068.db2.gz GLOIUCPTRIDCIW-UHFFFAOYSA-N 1 2 347.375 2.744 20 5 EFBDLO COc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1C ZINC000283164871 273679876 /nfs/dbraw/zinc/67/98/76/273679876.db2.gz ZOHAXQUREGLQKN-AWEZNQCLSA-N 1 2 332.360 2.762 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1F ZINC000283510696 273724490 /nfs/dbraw/zinc/72/44/90/273724490.db2.gz KXHMZPPIMWUYLW-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285320489 273978941 /nfs/dbraw/zinc/97/89/41/273978941.db2.gz FPXMANDRBOVBFX-UHFFFAOYSA-N 1 2 340.343 2.646 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)c1 ZINC000285581831 274030626 /nfs/dbraw/zinc/03/06/26/274030626.db2.gz SOKUQSODGMSUGM-OAHLLOKOSA-N 1 2 344.371 2.961 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)c1 ZINC000285581831 274030627 /nfs/dbraw/zinc/03/06/27/274030627.db2.gz SOKUQSODGMSUGM-OAHLLOKOSA-N 1 2 344.371 2.961 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801248 274077647 /nfs/dbraw/zinc/07/76/47/274077647.db2.gz FUQNZCRCPJUHEE-SWLSCSKDSA-N 1 2 339.823 2.543 20 5 EFBDLO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000286052018 274124045 /nfs/dbraw/zinc/12/40/45/274124045.db2.gz AXQPHKHWIFDNKX-UHFFFAOYSA-N 1 2 335.404 2.639 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000286194289 274151502 /nfs/dbraw/zinc/15/15/02/274151502.db2.gz RCAWGHNPXZRBMJ-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO CC(=O)c1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000286230664 274158358 /nfs/dbraw/zinc/15/83/58/274158358.db2.gz OBUKOVJIYFNKSF-UHFFFAOYSA-N 1 2 349.431 2.592 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000286233268 274158621 /nfs/dbraw/zinc/15/86/21/274158621.db2.gz OHAXMTMKRWVGHT-JTQLQIEISA-N 1 2 342.384 2.685 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286416133 274196692 /nfs/dbraw/zinc/19/66/92/274196692.db2.gz QPNWLRWSTMGSOY-AAEUAGOBSA-N 1 2 325.796 2.548 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286416135 274196845 /nfs/dbraw/zinc/19/68/45/274196845.db2.gz QPNWLRWSTMGSOY-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000287095835 274340981 /nfs/dbraw/zinc/34/09/81/274340981.db2.gz WBFWBCGVANWYSA-UHFFFAOYSA-N 1 2 345.399 2.773 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000287095835 274340982 /nfs/dbraw/zinc/34/09/82/274340982.db2.gz WBFWBCGVANWYSA-UHFFFAOYSA-N 1 2 345.399 2.773 20 5 EFBDLO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287325633 274394793 /nfs/dbraw/zinc/39/47/93/274394793.db2.gz KFKIZSHYYQFFNG-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287325633 274394797 /nfs/dbraw/zinc/39/47/97/274394797.db2.gz KFKIZSHYYQFFNG-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362356816 274897159 /nfs/dbraw/zinc/89/71/59/274897159.db2.gz BOBNDJBBOPSTKJ-UHFFFAOYSA-N 1 2 327.319 2.563 20 5 EFBDLO O=C1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000413284828 275019990 /nfs/dbraw/zinc/01/99/90/275019990.db2.gz PPXLDEFIQUYPNT-HUUCEWRRSA-N 1 2 326.356 2.708 20 5 EFBDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045397 277118258 /nfs/dbraw/zinc/11/82/58/277118258.db2.gz ONURQGGEPYZKKN-PXAZEXFGSA-N 1 2 344.367 2.940 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455174684 277389994 /nfs/dbraw/zinc/38/99/94/277389994.db2.gz VMXJGDVIHOIVOJ-CABZTGNLSA-N 1 2 331.332 2.627 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000113942839 279042935 /nfs/dbraw/zinc/04/29/35/279042935.db2.gz NBSAORMTJGZTOP-MRXNPFEDSA-N 1 2 336.388 2.708 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000113942839 279042936 /nfs/dbraw/zinc/04/29/36/279042936.db2.gz NBSAORMTJGZTOP-MRXNPFEDSA-N 1 2 336.388 2.708 20 5 EFBDLO Cc1ncc(C[NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC000110555917 279152347 /nfs/dbraw/zinc/15/23/47/279152347.db2.gz DRUOAZYGPYXIFC-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO Cc1c(Br)c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000347429488 280198448 /nfs/dbraw/zinc/19/84/48/280198448.db2.gz ZRZOGGISHVLBJK-IUCAKERBSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1c(Br)c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000347429488 280198450 /nfs/dbraw/zinc/19/84/50/280198450.db2.gz ZRZOGGISHVLBJK-IUCAKERBSA-N 1 2 343.225 2.590 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000425346160 280364350 /nfs/dbraw/zinc/36/43/50/280364350.db2.gz FSXGVVWHYZJORY-GASCZTMLSA-N 1 2 348.305 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000425346160 280364352 /nfs/dbraw/zinc/36/43/52/280364352.db2.gz FSXGVVWHYZJORY-GASCZTMLSA-N 1 2 348.305 2.897 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242756 280399394 /nfs/dbraw/zinc/39/93/94/280399394.db2.gz SWGUIYYGQMAIMC-CVEARBPZSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242756 280399396 /nfs/dbraw/zinc/39/93/96/280399396.db2.gz SWGUIYYGQMAIMC-CVEARBPZSA-N 1 2 349.431 2.825 20 5 EFBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419002910 288257284 /nfs/dbraw/zinc/25/72/84/288257284.db2.gz CPTDIAFSNBAJTQ-ILXRZTDVSA-N 1 2 333.432 2.908 20 5 EFBDLO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000068104146 292700602 /nfs/dbraw/zinc/70/06/02/292700602.db2.gz PAMDYWBGAIJCOO-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000072751546 290032506 /nfs/dbraw/zinc/03/25/06/290032506.db2.gz HOMHRLXNHWRTQP-KRWDZBQOSA-N 1 2 325.368 2.724 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000072751546 290032511 /nfs/dbraw/zinc/03/25/11/290032511.db2.gz HOMHRLXNHWRTQP-KRWDZBQOSA-N 1 2 325.368 2.724 20 5 EFBDLO Cc1c(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000127387077 293068138 /nfs/dbraw/zinc/06/81/38/293068138.db2.gz UCEMZKCSBCJFDO-AWEZNQCLSA-N 1 2 342.355 2.983 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127486915 293070621 /nfs/dbraw/zinc/07/06/21/293070621.db2.gz XTFAUQGWBCCBSC-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127486915 293070624 /nfs/dbraw/zinc/07/06/24/293070624.db2.gz XTFAUQGWBCCBSC-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000128391374 293102091 /nfs/dbraw/zinc/10/20/91/293102091.db2.gz BFOLZGOYIGHAAX-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000128391374 293102094 /nfs/dbraw/zinc/10/20/94/293102094.db2.gz BFOLZGOYIGHAAX-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO CCn1c2ccc(F)cc2[nH+]c1Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000129831285 293145023 /nfs/dbraw/zinc/14/50/23/293145023.db2.gz JZBWRAUZYWULIZ-UHFFFAOYSA-N 1 2 330.319 2.622 20 5 EFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncccc1F ZINC000130804936 293178174 /nfs/dbraw/zinc/17/81/74/293178174.db2.gz BOYILLRLGUXMMM-UHFFFAOYSA-N 1 2 341.302 2.591 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130985885 293184114 /nfs/dbraw/zinc/18/41/14/293184114.db2.gz RPOXTWXIYXTMMZ-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130985885 293184115 /nfs/dbraw/zinc/18/41/15/293184115.db2.gz RPOXTWXIYXTMMZ-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000294170727 295122305 /nfs/dbraw/zinc/12/23/05/295122305.db2.gz WKJZOAAYRXZURS-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294324636 295147673 /nfs/dbraw/zinc/14/76/73/295147673.db2.gz DKXICRDSCQDZHV-VIFPVBQESA-N 1 2 342.277 2.629 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000294359766 295153524 /nfs/dbraw/zinc/15/35/24/295153524.db2.gz IOJKPNHMVNSMHL-HNNXBMFYSA-N 1 2 348.378 2.600 20 5 EFBDLO COC(=O)Cc1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000295562148 295341354 /nfs/dbraw/zinc/34/13/54/295341354.db2.gz QKLCJGPQXZOOTP-UHFFFAOYSA-N 1 2 344.371 2.619 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000295813867 295379930 /nfs/dbraw/zinc/37/99/30/295379930.db2.gz SWSSVTKUNQFZIE-UHFFFAOYSA-N 1 2 342.277 2.760 20 5 EFBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000295909078 295395251 /nfs/dbraw/zinc/39/52/51/295395251.db2.gz IUPQUNQDOMIPJJ-INIZCTEOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000295909078 295395253 /nfs/dbraw/zinc/39/52/53/295395253.db2.gz IUPQUNQDOMIPJJ-INIZCTEOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000295909078 295395255 /nfs/dbraw/zinc/39/52/55/295395255.db2.gz IUPQUNQDOMIPJJ-INIZCTEOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000295909078 295395257 /nfs/dbraw/zinc/39/52/57/295395257.db2.gz IUPQUNQDOMIPJJ-INIZCTEOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000295927999 295398306 /nfs/dbraw/zinc/39/83/06/295398306.db2.gz FLZUAJZECMQQFT-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CCOc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296055710 295418440 /nfs/dbraw/zinc/41/84/40/295418440.db2.gz QACYXJCVPYSMSQ-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000175236248 310769625 /nfs/dbraw/zinc/76/96/25/310769625.db2.gz GKOHYWHPEJJVSV-FZMZJTMJSA-N 1 2 346.412 2.816 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298004380 310947693 /nfs/dbraw/zinc/94/76/93/310947693.db2.gz OHAWUASZMJOMLX-UHFFFAOYSA-N 1 2 344.371 2.733 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000298889945 311032356 /nfs/dbraw/zinc/03/23/56/311032356.db2.gz VNCZHHKVJQDKEM-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000299118052 311053190 /nfs/dbraw/zinc/05/31/90/311053190.db2.gz HQJAYACUUQDHOC-SNVBAGLBSA-N 1 2 349.416 2.864 20 5 EFBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000299118052 311053193 /nfs/dbraw/zinc/05/31/93/311053193.db2.gz HQJAYACUUQDHOC-SNVBAGLBSA-N 1 2 349.416 2.864 20 5 EFBDLO O=[N+]([O-])c1c(F)cccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000299130520 311054361 /nfs/dbraw/zinc/05/43/61/311054361.db2.gz DAPAUCLGWDJSQG-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO Cc1cc(N[C@@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299390206 311079960 /nfs/dbraw/zinc/07/99/60/311079960.db2.gz GYXCTRNEVHGAKT-NSHDSACASA-N 1 2 339.359 2.662 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301250722 311126823 /nfs/dbraw/zinc/12/68/23/311126823.db2.gz PLWWGXGLBMCWOR-UHFFFAOYSA-N 1 2 343.387 2.996 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301250722 311126824 /nfs/dbraw/zinc/12/68/24/311126824.db2.gz PLWWGXGLBMCWOR-UHFFFAOYSA-N 1 2 343.387 2.996 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000301276630 311128681 /nfs/dbraw/zinc/12/86/81/311128681.db2.gz MDFVZONKIWPBGJ-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000301282937 311128913 /nfs/dbraw/zinc/12/89/13/311128913.db2.gz PEWXAQKGPAQHNP-PHIMTYICSA-N 1 2 342.827 2.943 20 5 EFBDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000301282937 311128915 /nfs/dbraw/zinc/12/89/15/311128915.db2.gz PEWXAQKGPAQHNP-PHIMTYICSA-N 1 2 342.827 2.943 20 5 EFBDLO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301354195 311133185 /nfs/dbraw/zinc/13/31/85/311133185.db2.gz NXJXPDKALCPLRJ-UHFFFAOYSA-N 1 2 328.210 2.888 20 5 EFBDLO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301547169 311143720 /nfs/dbraw/zinc/14/37/20/311143720.db2.gz PRFOTUKAYCGKSK-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301547169 311143722 /nfs/dbraw/zinc/14/37/22/311143722.db2.gz PRFOTUKAYCGKSK-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301623791 311148124 /nfs/dbraw/zinc/14/81/24/311148124.db2.gz GLUOSHBRRNMVNQ-MRXNPFEDSA-N 1 2 342.399 2.784 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301647412 311149818 /nfs/dbraw/zinc/14/98/18/311149818.db2.gz QELMJHZDWBVKDK-CYBMUJFWSA-N 1 2 330.300 2.556 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000301815881 311160287 /nfs/dbraw/zinc/16/02/87/311160287.db2.gz DIGHPTZDZOHWCE-UHFFFAOYSA-N 1 2 346.343 2.662 20 5 EFBDLO Cc1cc(N[C@@](C)(CO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821799 311160385 /nfs/dbraw/zinc/16/03/85/311160385.db2.gz KHINHNUILPTQJH-KRWDZBQOSA-N 1 2 328.372 2.933 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000301942215 311168017 /nfs/dbraw/zinc/16/80/17/311168017.db2.gz WTPGHNINKDZXOM-LLVKDONJSA-N 1 2 334.401 2.889 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000302613264 311194381 /nfs/dbraw/zinc/19/43/81/311194381.db2.gz BEGPBLGVZBTFLE-AWEZNQCLSA-N 1 2 338.314 2.546 20 5 EFBDLO COC(=O)c1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000302767257 311200150 /nfs/dbraw/zinc/20/01/50/311200150.db2.gz LYENBRWFHLLPNQ-UHFFFAOYSA-N 1 2 340.295 2.754 20 5 EFBDLO Cc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2c([nH+]1)CCCC2 ZINC000302783384 311200754 /nfs/dbraw/zinc/20/07/54/311200754.db2.gz TZDPGHHPMHZKBJ-UHFFFAOYSA-N 1 2 340.383 2.840 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412394704 311985044 /nfs/dbraw/zinc/98/50/44/311985044.db2.gz FWSQYBSVBZHOPK-TUKIKUTGSA-N 1 2 328.372 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc3ncccn3n1)CCCC2 ZINC000417376530 312216292 /nfs/dbraw/zinc/21/62/92/312216292.db2.gz QZHCPKYSZUMFKI-HNNXBMFYSA-N 1 2 338.371 2.590 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420697161 312385038 /nfs/dbraw/zinc/38/50/38/312385038.db2.gz IPSLPKQYJBOQAB-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO Cc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420798919 312392537 /nfs/dbraw/zinc/39/25/37/312392537.db2.gz OYGCRKAUCVSQBV-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000450803883 312750464 /nfs/dbraw/zinc/75/04/64/312750464.db2.gz LRTWETZOEQVMGJ-GXTWGEPZSA-N 1 2 326.356 2.795 20 5 EFBDLO CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457989601 313049891 /nfs/dbraw/zinc/04/98/91/313049891.db2.gz KBKNLJJCOADVOM-ZIAGYGMSSA-N 1 2 328.372 2.945 20 5 EFBDLO CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458092396 313069575 /nfs/dbraw/zinc/06/95/75/313069575.db2.gz GPRVBUTZCWACSZ-WBVHZDCISA-N 1 2 328.372 2.945 20 5 EFBDLO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000458220117 313086165 /nfs/dbraw/zinc/08/61/65/313086165.db2.gz IYBKRZQCPPRWQH-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000470211013 313129820 /nfs/dbraw/zinc/12/98/20/313129820.db2.gz FKOGMDILLNEWDJ-SHRNQRGKSA-N 1 2 331.416 2.845 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000470211013 313129825 /nfs/dbraw/zinc/12/98/25/313129825.db2.gz FKOGMDILLNEWDJ-SHRNQRGKSA-N 1 2 331.416 2.845 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1C(C)=O ZINC000472348015 313187976 /nfs/dbraw/zinc/18/79/76/313187976.db2.gz JBNSCIPJFQRLGJ-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1C(C)=O ZINC000472348015 313187980 /nfs/dbraw/zinc/18/79/80/313187980.db2.gz JBNSCIPJFQRLGJ-JKSUJKDBSA-N 1 2 349.431 2.825 20 5 EFBDLO CCc1cc(NC[C@](C)(O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000484645008 313321211 /nfs/dbraw/zinc/32/12/11/313321211.db2.gz QVYNWEQSXQWQKL-SFHVURJKSA-N 1 2 342.399 2.609 20 5 EFBDLO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000487081858 313363877 /nfs/dbraw/zinc/36/38/77/313363877.db2.gz BKIWUYGKGVXQTG-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000487081858 313363880 /nfs/dbraw/zinc/36/38/80/313363880.db2.gz BKIWUYGKGVXQTG-LBPRGKRZSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487095413 313365462 /nfs/dbraw/zinc/36/54/62/313365462.db2.gz CNBFMJHSEITOMY-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487095413 313365465 /nfs/dbraw/zinc/36/54/65/313365465.db2.gz CNBFMJHSEITOMY-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2CC(F)F)cc1[N+](=O)[O-] ZINC000488131728 313460729 /nfs/dbraw/zinc/46/07/29/313460729.db2.gz ZMKIXJADOMTIFM-SNVBAGLBSA-N 1 2 325.319 2.611 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491435333 313748662 /nfs/dbraw/zinc/74/86/62/313748662.db2.gz KEFYINKVJXLABR-PODYEWJSSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492068639 313864552 /nfs/dbraw/zinc/86/45/52/313864552.db2.gz ORDVQQYMXMHGMU-VOKGJARPSA-N 1 2 344.346 2.635 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799326 314130252 /nfs/dbraw/zinc/13/02/52/314130252.db2.gz LPMWSVVAWSNTAI-ROJDOSBLSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000492931567 314182561 /nfs/dbraw/zinc/18/25/61/314182561.db2.gz ROSDQFKUTLPZPQ-OWOJBTEDSA-N 1 2 337.133 2.732 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492930819 314182858 /nfs/dbraw/zinc/18/28/58/314182858.db2.gz WHOVXPVRHJQJBT-FNORWQNLSA-N 1 2 349.350 2.887 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000492993037 314204829 /nfs/dbraw/zinc/20/48/29/314204829.db2.gz YMBACZUDLMCWND-GPCFVJJQSA-N 1 2 339.351 2.683 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493295487 314307645 /nfs/dbraw/zinc/30/76/45/314307645.db2.gz PKFZOAKLYCNLQA-KTKRTIGZSA-N 1 2 328.372 2.876 20 5 EFBDLO O=C(NC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)C1CC1 ZINC000494174576 314556678 /nfs/dbraw/zinc/55/66/78/314556678.db2.gz AKKLAUYXXLHOLA-UHFFFAOYSA-N 1 2 337.807 2.739 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000495599246 314768818 /nfs/dbraw/zinc/76/88/18/314768818.db2.gz YBIBEEXARWVIMI-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cc[nH]n3)o2)c([N+](=O)[O-])c1 ZINC000522254900 316084050 /nfs/dbraw/zinc/08/40/50/316084050.db2.gz XBSLCPXORMKTID-UHFFFAOYSA-N 1 2 328.328 2.876 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000531203152 317235489 /nfs/dbraw/zinc/23/54/89/317235489.db2.gz YYLBGOSWHIEYSL-AWEZNQCLSA-N 1 2 345.403 2.940 20 5 EFBDLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533016820 317463556 /nfs/dbraw/zinc/46/35/56/317463556.db2.gz KSJHTLNBTYDVJV-CYBMUJFWSA-N 1 2 335.404 2.811 20 5 EFBDLO Cc1ccc(F)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000534336800 317547530 /nfs/dbraw/zinc/54/75/30/317547530.db2.gz WCAWJSKVXDUKRK-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540850462 317752856 /nfs/dbraw/zinc/75/28/56/317752856.db2.gz GXXNNFOGCDJAQV-UHFFFAOYSA-N 1 2 336.351 2.844 20 5 EFBDLO CCc1cc(N[C@H](C)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000541921420 317799102 /nfs/dbraw/zinc/79/91/02/317799102.db2.gz HDOKZWXLPQVGCX-TZMCWYRMSA-N 1 2 342.399 2.873 20 5 EFBDLO Cc1cccn2cc(CC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000548093841 318072415 /nfs/dbraw/zinc/07/24/15/318072415.db2.gz MYHBXGUKHNHFMO-UHFFFAOYSA-N 1 2 328.303 2.871 20 5 EFBDLO CCCCc1[nH]c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2[nH+]1 ZINC000554867237 318338733 /nfs/dbraw/zinc/33/87/33/318338733.db2.gz PCSFNHPMKPNRPD-UHFFFAOYSA-N 1 2 328.332 2.789 20 5 EFBDLO CC[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000555244990 318350431 /nfs/dbraw/zinc/35/04/31/318350431.db2.gz WISHSTRVDCAVFE-JTQLQIEISA-N 1 2 343.225 2.591 20 5 EFBDLO CC[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000555244990 318350434 /nfs/dbraw/zinc/35/04/34/318350434.db2.gz WISHSTRVDCAVFE-JTQLQIEISA-N 1 2 343.225 2.591 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000555364852 318354698 /nfs/dbraw/zinc/35/46/98/318354698.db2.gz ZUENQLBUCYXGMG-GFCCVEGCSA-N 1 2 334.294 2.844 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000555364852 318354701 /nfs/dbraw/zinc/35/47/01/318354701.db2.gz ZUENQLBUCYXGMG-GFCCVEGCSA-N 1 2 334.294 2.844 20 5 EFBDLO C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000565204189 318946151 /nfs/dbraw/zinc/94/61/51/318946151.db2.gz LMUACXUYDHCUDG-SECBINFHSA-N 1 2 342.193 2.636 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000566426595 319073567 /nfs/dbraw/zinc/07/35/67/319073567.db2.gz VERRCEIFDYHZAO-ZDUSSCGKSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000566426595 319073569 /nfs/dbraw/zinc/07/35/69/319073569.db2.gz VERRCEIFDYHZAO-ZDUSSCGKSA-N 1 2 339.823 2.545 20 5 EFBDLO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(OC(C)C)n3)[nH+]c2c1 ZINC000566985802 319128824 /nfs/dbraw/zinc/12/88/24/319128824.db2.gz YOANJUPNKQIBJZ-UHFFFAOYSA-N 1 2 341.371 2.767 20 5 EFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000567974614 319232073 /nfs/dbraw/zinc/23/20/73/319232073.db2.gz COUYIWRZVFTDKT-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO COC(=O)c1cc(OCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000568429751 319282897 /nfs/dbraw/zinc/28/28/97/319282897.db2.gz QRMYJDQLBKLIRN-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO CC(C)Oc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000569584134 319394867 /nfs/dbraw/zinc/39/48/67/319394867.db2.gz MCJDMDIVQWIZRE-UHFFFAOYSA-N 1 2 332.360 2.770 20 5 EFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000574706698 319886928 /nfs/dbraw/zinc/88/69/28/319886928.db2.gz CBSGEMOPXUXDMX-UHFFFAOYSA-N 1 2 337.339 2.868 20 5 EFBDLO CO[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000574835660 319898895 /nfs/dbraw/zinc/89/88/95/319898895.db2.gz CJLYKKPBFFTBEJ-DLBZAZTESA-N 1 2 349.431 2.652 20 5 EFBDLO O=C(N[C@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000575125628 319927496 /nfs/dbraw/zinc/92/74/96/319927496.db2.gz JRZNEVCXPXGHMZ-STQMWFEESA-N 1 2 332.335 2.791 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000577188079 320086357 /nfs/dbraw/zinc/08/63/57/320086357.db2.gz HIASIYGFSJBUCB-OAHLLOKOSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000577188079 320086360 /nfs/dbraw/zinc/08/63/60/320086360.db2.gz HIASIYGFSJBUCB-OAHLLOKOSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1csc2nc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000026347283 323212881 /nfs/dbraw/zinc/21/28/81/323212881.db2.gz WFXADLXLUMAQGE-UHFFFAOYSA-N 1 2 344.396 2.605 20 5 EFBDLO Cc1csc2nc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000026347283 323212883 /nfs/dbraw/zinc/21/28/83/323212883.db2.gz WFXADLXLUMAQGE-UHFFFAOYSA-N 1 2 344.396 2.605 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581287374 324342889 /nfs/dbraw/zinc/34/28/89/324342889.db2.gz AEPWNHALCKLTJL-OCCSQVGLSA-N 1 2 328.372 2.828 20 5 EFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000139254392 473229722 /nfs/dbraw/zinc/22/97/22/473229722.db2.gz TXAZODKQHXIZCD-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000081644487 473238376 /nfs/dbraw/zinc/23/83/76/473238376.db2.gz ZFFRZLBRPJELDX-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000095984471 473243543 /nfs/dbraw/zinc/24/35/43/473243543.db2.gz TZEDWCSDFKPUBP-SNVBAGLBSA-N 1 2 345.330 2.916 20 5 EFBDLO Cc1cc(N2CCCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171046762 473262805 /nfs/dbraw/zinc/26/28/05/473262805.db2.gz WCDSYQJTGFKFGY-CYBMUJFWSA-N 1 2 328.372 2.975 20 5 EFBDLO Cc1cc(N2CCCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171046766 473263197 /nfs/dbraw/zinc/26/31/97/473263197.db2.gz WCDSYQJTGFKFGY-ZDUSSCGKSA-N 1 2 328.372 2.975 20 5 EFBDLO CN(C)c1[nH+]cccc1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486928039 468013718 /nfs/dbraw/zinc/01/37/18/468013718.db2.gz RWPJRCRBZXGQDF-UHFFFAOYSA-N 1 2 340.343 2.718 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124766392 473300288 /nfs/dbraw/zinc/30/02/88/473300288.db2.gz PLNQZZYYKCNLCI-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124766392 473300293 /nfs/dbraw/zinc/30/02/93/473300293.db2.gz PLNQZZYYKCNLCI-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO COCCCNc1ccc(-c2ccc(C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000600786492 468657736 /nfs/dbraw/zinc/65/77/36/468657736.db2.gz QJAHPWPRUKVSDO-UHFFFAOYSA-N 1 2 345.355 2.892 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190525155 473306762 /nfs/dbraw/zinc/30/67/62/473306762.db2.gz HOBCIHMERIDNOA-LBPRGKRZSA-N 1 2 335.404 2.811 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000601239739 468793489 /nfs/dbraw/zinc/79/34/89/468793489.db2.gz BGUDABNCJCQLBP-UHFFFAOYSA-N 1 2 337.430 2.612 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000348136766 475419449 /nfs/dbraw/zinc/41/94/49/475419449.db2.gz BNXQIJJDZFOKED-AWEZNQCLSA-N 1 2 345.359 2.610 20 5 EFBDLO CC(C)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000439825691 478033010 /nfs/dbraw/zinc/03/30/10/478033010.db2.gz JLPUTLDSMPVYGR-UHFFFAOYSA-N 1 2 328.372 2.947 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000005728735 471518707 /nfs/dbraw/zinc/51/87/07/471518707.db2.gz VZPNAFAOAUHUII-CYBMUJFWSA-N 1 2 327.340 2.693 20 5 EFBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000007683536 471629536 /nfs/dbraw/zinc/62/95/36/471629536.db2.gz BKVFTBKRAKHLMM-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000007683536 471629532 /nfs/dbraw/zinc/62/95/32/471629532.db2.gz BKVFTBKRAKHLMM-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CSc1[nH+]cnc2c1cnn2C ZINC000011680443 471756133 /nfs/dbraw/zinc/75/61/33/471756133.db2.gz JQNFXVPPWHDXGL-UHFFFAOYSA-N 1 2 331.357 2.572 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000013010150 471812122 /nfs/dbraw/zinc/81/21/22/471812122.db2.gz VANWOLVROAVVSC-OAHLLOKOSA-N 1 2 344.367 2.875 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000013010150 471812129 /nfs/dbraw/zinc/81/21/29/471812129.db2.gz VANWOLVROAVVSC-OAHLLOKOSA-N 1 2 344.367 2.875 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000014933250 471883092 /nfs/dbraw/zinc/88/30/92/471883092.db2.gz KOAZLMVYHKCQDW-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000014933250 471883095 /nfs/dbraw/zinc/88/30/95/471883095.db2.gz KOAZLMVYHKCQDW-LLVKDONJSA-N 1 2 333.344 2.655 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000015375679 471902724 /nfs/dbraw/zinc/90/27/24/471902724.db2.gz UMJOZXBYGGZHOR-IJLUTSLNSA-N 1 2 332.360 2.815 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000016586856 471943450 /nfs/dbraw/zinc/94/34/50/471943450.db2.gz PLBNRYPLBMDGHL-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000016586856 471943455 /nfs/dbraw/zinc/94/34/55/471943455.db2.gz PLBNRYPLBMDGHL-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067139258 471996740 /nfs/dbraw/zinc/99/67/40/471996740.db2.gz OIHINJPSTRTNFU-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO CNC(=O)c1ccc(NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000053576324 472020965 /nfs/dbraw/zinc/02/09/65/472020965.db2.gz OBZZSPDRFRARPC-UHFFFAOYSA-N 1 2 339.355 2.523 20 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472120624 /nfs/dbraw/zinc/12/06/24/472120624.db2.gz QOMYRMPECBDXMZ-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348283 472133516 /nfs/dbraw/zinc/13/35/16/472133516.db2.gz UBCLUOYUDBOZAF-UHFFFAOYSA-N 1 2 341.411 2.694 20 5 EFBDLO Cc1ccccc1CCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348283 472133521 /nfs/dbraw/zinc/13/35/21/472133521.db2.gz UBCLUOYUDBOZAF-UHFFFAOYSA-N 1 2 341.411 2.694 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055060105 472136494 /nfs/dbraw/zinc/13/64/94/472136494.db2.gz KEPBNHOGHPKPES-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055060105 472136498 /nfs/dbraw/zinc/13/64/98/472136498.db2.gz KEPBNHOGHPKPES-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccccc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026718805 472145838 /nfs/dbraw/zinc/14/58/38/472145838.db2.gz LEJRKBOJDNONRM-UHFFFAOYSA-N 1 2 339.395 2.595 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000055170019 472146450 /nfs/dbraw/zinc/14/64/50/472146450.db2.gz RUTWQPKVXWSZCY-UHFFFAOYSA-N 1 2 325.328 2.607 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534147 472152738 /nfs/dbraw/zinc/15/27/38/472152738.db2.gz DPMIUMIJIHHLHX-LBPRGKRZSA-N 1 2 339.355 2.819 20 5 EFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000075574749 472160740 /nfs/dbraw/zinc/16/07/40/472160740.db2.gz IHCWTZBJDORIRL-UHFFFAOYSA-N 1 2 329.341 2.514 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000055531693 472199884 /nfs/dbraw/zinc/19/98/84/472199884.db2.gz CRKOFJDOZHFYEA-UHFFFAOYSA-N 1 2 349.350 2.696 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000043126861 472201086 /nfs/dbraw/zinc/20/10/86/472201086.db2.gz PJKIPZBTINNUOR-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO Cc1cccc2[nH+]c(CNc3nc4sccn4c3[N+](=O)[O-])cn21 ZINC000068772477 472238570 /nfs/dbraw/zinc/23/85/70/472238570.db2.gz ICJBFOUUTLMPJT-UHFFFAOYSA-N 1 2 328.357 2.872 20 5 EFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055798687 472240831 /nfs/dbraw/zinc/24/08/31/472240831.db2.gz MSCBAWBSBRMICZ-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000055816573 472242583 /nfs/dbraw/zinc/24/25/83/472242583.db2.gz WSXLXMWJHWCMQG-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000055900438 472254595 /nfs/dbraw/zinc/25/45/95/472254595.db2.gz YNCHGFWKCFZNRZ-UHFFFAOYSA-N 1 2 347.337 2.544 20 5 EFBDLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029150502 472254768 /nfs/dbraw/zinc/25/47/68/472254768.db2.gz DJCRETSVTWEOOO-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029150502 472254772 /nfs/dbraw/zinc/25/47/72/472254772.db2.gz DJCRETSVTWEOOO-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000029584699 472282169 /nfs/dbraw/zinc/28/21/69/472282169.db2.gz OVQDPAKMZJUQFS-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO Cc1cccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029626639 472285497 /nfs/dbraw/zinc/28/54/97/472285497.db2.gz IKQUKTAGJQFGKX-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951593 472307608 /nfs/dbraw/zinc/30/76/08/472307608.db2.gz WKLQQRQVKNVAFC-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000056353387 472310526 /nfs/dbraw/zinc/31/05/26/472310526.db2.gz KTJFEWMGUGQVFC-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO CO[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000076290963 472314728 /nfs/dbraw/zinc/31/47/28/472314728.db2.gz YWGQNNXVVCHUIX-OAHLLOKOSA-N 1 2 328.372 2.975 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076494319 472356773 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O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134573045 472930962 /nfs/dbraw/zinc/93/09/62/472930962.db2.gz GZHHFIDLXBIJFX-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC(C)(C)O1 ZINC000065422853 472938659 /nfs/dbraw/zinc/93/86/59/472938659.db2.gz CQLZFJSJILRNHB-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC(C)(C)O1 ZINC000065422853 472938662 /nfs/dbraw/zinc/93/86/62/472938662.db2.gz CQLZFJSJILRNHB-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO CCOC(=O)c1cc(C(=O)Nc2cc[nH+]cc2C)cc([N+](=O)[O-])c1 ZINC000107288870 472939716 /nfs/dbraw/zinc/93/97/16/472939716.db2.gz BOULEVHIUDGYJF-UHFFFAOYSA-N 1 2 329.312 2.727 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000065501608 472958656 /nfs/dbraw/zinc/95/86/56/472958656.db2.gz ZGTRVRUEJFTCHH-UHFFFAOYSA-N 1 2 343.387 2.654 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000092761760 472981037 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5 EFBDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236015 473040360 /nfs/dbraw/zinc/04/03/60/473040360.db2.gz JGWCEMXRRCDTJH-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236015 473040367 /nfs/dbraw/zinc/04/03/67/473040367.db2.gz JGWCEMXRRCDTJH-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000080552878 473046643 /nfs/dbraw/zinc/04/66/43/473046643.db2.gz QYADMNMKAAUHAR-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000080598480 473052356 /nfs/dbraw/zinc/05/23/56/473052356.db2.gz AEPDLJSRRMQDJM-CYBMUJFWSA-N 1 2 343.387 2.530 20 5 EFBDLO Cc1c(C[NH+]2CCN(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000051506510 473053634 /nfs/dbraw/zinc/05/36/34/473053634.db2.gz VHMCHJKECIEIIK-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1c(CN2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000051506510 473053639 /nfs/dbraw/zinc/05/36/39/473053639.db2.gz VHMCHJKECIEIIK-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1cc(N(C)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000074775662 473062551 /nfs/dbraw/zinc/06/25/51/473062551.db2.gz FNAVVHIHFZJXJA-UHFFFAOYSA-N 1 2 328.372 2.975 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000051824096 473067750 /nfs/dbraw/zinc/06/77/50/473067750.db2.gz MROZHIVUXFTSOX-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO COCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000122998608 473084607 /nfs/dbraw/zinc/08/46/07/473084607.db2.gz IFEWICJFMUHRSI-UHFFFAOYSA-N 1 2 345.399 2.619 20 5 EFBDLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000109281095 473092783 /nfs/dbraw/zinc/09/27/83/473092783.db2.gz ZGJVCWUPRQDDKB-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(O)c1 ZINC000080918709 473100547 /nfs/dbraw/zinc/10/05/47/473100547.db2.gz BORSHYXZJRADFJ-UHFFFAOYSA-N 1 2 340.339 2.982 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(O)c1 ZINC000080918709 473100553 /nfs/dbraw/zinc/10/05/53/473100553.db2.gz BORSHYXZJRADFJ-UHFFFAOYSA-N 1 2 340.339 2.982 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080923122 473101913 /nfs/dbraw/zinc/10/19/13/473101913.db2.gz AZMDVACYPTYDGN-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080923122 473101921 /nfs/dbraw/zinc/10/19/21/473101921.db2.gz AZMDVACYPTYDGN-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000080948259 473108418 /nfs/dbraw/zinc/10/84/18/473108418.db2.gz KPUPSUHUBWZIRD-RYUDHWBXSA-N 1 2 346.412 2.747 20 5 EFBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066565096 473114085 /nfs/dbraw/zinc/11/40/85/473114085.db2.gz SYQFHILVVXNQPI-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066565096 473114093 /nfs/dbraw/zinc/11/40/93/473114093.db2.gz SYQFHILVVXNQPI-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc[nH+]cc1O ZINC000109889016 473133902 /nfs/dbraw/zinc/13/39/02/473133902.db2.gz JVMQGBJNAKHZDO-UHFFFAOYSA-N 1 2 345.358 2.894 20 5 EFBDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000123451205 473142950 /nfs/dbraw/zinc/14/29/50/473142950.db2.gz XPLYHZPBIQYWAG-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000123451205 473142954 /nfs/dbraw/zinc/14/29/54/473142954.db2.gz XPLYHZPBIQYWAG-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000052750800 473143306 /nfs/dbraw/zinc/14/33/06/473143306.db2.gz TZLKDHBPEOEANZ-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000052926734 473164280 /nfs/dbraw/zinc/16/42/80/473164280.db2.gz QMDMGAMAHWJBIF-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000162973974 473402266 /nfs/dbraw/zinc/40/22/66/473402266.db2.gz CFWFQLJYIGMQKR-UHFFFAOYSA-N 1 2 343.387 2.800 20 5 EFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc[nH+]1 ZINC000185618462 473470246 /nfs/dbraw/zinc/47/02/46/473470246.db2.gz XDRDSQJRYPURFZ-UHFFFAOYSA-N 1 2 344.352 2.647 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178210052 473475798 /nfs/dbraw/zinc/47/57/98/473475798.db2.gz HFSZAEYNBILBLK-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO Cc1c(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000164065249 473477035 /nfs/dbraw/zinc/47/70/35/473477035.db2.gz MBMGXHOPSORIPF-OAHLLOKOSA-N 1 2 328.372 2.923 20 5 EFBDLO C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126313201 473507552 /nfs/dbraw/zinc/50/75/52/473507552.db2.gz ZOGHZEVZGNNOTR-NHYWBVRUSA-N 1 2 332.335 2.654 20 5 EFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000165533692 473511841 /nfs/dbraw/zinc/51/18/41/473511841.db2.gz JUJLNDHASGBLDH-UHFFFAOYSA-N 1 2 339.311 2.768 20 5 EFBDLO Cc1c(Br)c(NCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000165717082 473514479 /nfs/dbraw/zinc/51/44/79/473514479.db2.gz TZVTYPMOYJQHCS-UHFFFAOYSA-N 1 2 340.181 2.759 20 5 EFBDLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185860179 473533040 /nfs/dbraw/zinc/53/30/40/473533040.db2.gz NDGNBMRFCHWRLU-ZDUSSCGKSA-N 1 2 333.388 2.509 20 5 EFBDLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185860179 473533044 /nfs/dbraw/zinc/53/30/44/473533044.db2.gz NDGNBMRFCHWRLU-ZDUSSCGKSA-N 1 2 333.388 2.509 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152207799 473536881 /nfs/dbraw/zinc/53/68/81/473536881.db2.gz LPIHCFVMVUTYDQ-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152207799 473536886 /nfs/dbraw/zinc/53/68/86/473536886.db2.gz LPIHCFVMVUTYDQ-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186043461 473578740 /nfs/dbraw/zinc/57/87/40/473578740.db2.gz MUYFLBJNNODKFV-UHFFFAOYSA-N 1 2 346.305 2.947 20 5 EFBDLO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)CC1 ZINC000115723761 473597551 /nfs/dbraw/zinc/59/75/51/473597551.db2.gz CAHXWAKEDUVDQZ-UHFFFAOYSA-N 1 2 347.415 2.637 20 5 EFBDLO CSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172500429 473625648 /nfs/dbraw/zinc/62/56/48/473625648.db2.gz AQZHUHXFNAJUPF-GFCCVEGCSA-N 1 2 348.428 2.994 20 5 EFBDLO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)[nH+]1 ZINC000116260074 473642754 /nfs/dbraw/zinc/64/27/54/473642754.db2.gz RIDJYRHFJYEHIX-UHFFFAOYSA-N 1 2 339.399 2.897 20 5 EFBDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116274029 473644678 /nfs/dbraw/zinc/64/46/78/473644678.db2.gz NUNFBCCXPYHTDX-UHFFFAOYSA-N 1 2 325.796 2.691 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000192258380 473659010 /nfs/dbraw/zinc/65/90/10/473659010.db2.gz BTXLZMHUQPLDDC-UHFFFAOYSA-N 1 2 330.388 2.906 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179264128 473664808 /nfs/dbraw/zinc/66/48/08/473664808.db2.gz VHPIQOQBDGSTHE-UHFFFAOYSA-N 1 2 347.334 2.721 20 5 EFBDLO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000192450778 473681375 /nfs/dbraw/zinc/68/13/75/473681375.db2.gz DQWBHDFNXIAMJS-GFCCVEGCSA-N 1 2 348.428 2.943 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000192498370 473685930 /nfs/dbraw/zinc/68/59/30/473685930.db2.gz HDCUIGYVBBFZBT-UHFFFAOYSA-N 1 2 345.403 2.824 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000192575281 473693324 /nfs/dbraw/zinc/69/33/24/473693324.db2.gz HQSTZGPIKKEXSL-UHFFFAOYSA-N 1 2 332.408 2.539 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269121710 473701165 /nfs/dbraw/zinc/70/11/65/473701165.db2.gz XSYTVUBVAUWMIK-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO CCc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000274010436 473703325 /nfs/dbraw/zinc/70/33/25/473703325.db2.gz ZDYQEYDFBGVUAH-HNNXBMFYSA-N 1 2 344.371 2.743 20 5 EFBDLO CCc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000274010436 473703332 /nfs/dbraw/zinc/70/33/32/473703332.db2.gz ZDYQEYDFBGVUAH-HNNXBMFYSA-N 1 2 344.371 2.743 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000269631547 473848094 /nfs/dbraw/zinc/84/80/94/473848094.db2.gz FTVRGEZRODZBQC-KRWDZBQOSA-N 1 2 334.322 2.965 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000269631547 473848100 /nfs/dbraw/zinc/84/81/00/473848100.db2.gz FTVRGEZRODZBQC-KRWDZBQOSA-N 1 2 334.322 2.965 20 5 EFBDLO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187703770 473905906 /nfs/dbraw/zinc/90/59/06/473905906.db2.gz VVOFEFLOGXIXII-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000288628925 474004679 /nfs/dbraw/zinc/00/46/79/474004679.db2.gz YJLXZQVACMKJJQ-NSHDSACASA-N 1 2 333.413 2.976 20 5 EFBDLO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000288628925 474004682 /nfs/dbraw/zinc/00/46/82/474004682.db2.gz YJLXZQVACMKJJQ-NSHDSACASA-N 1 2 333.413 2.976 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC(=O)N1C ZINC000282295060 474012044 /nfs/dbraw/zinc/01/20/44/474012044.db2.gz SHJNZKSFXDOOFA-CYBMUJFWSA-N 1 2 336.391 2.609 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC(=O)N1C ZINC000282295060 474012048 /nfs/dbraw/zinc/01/20/48/474012048.db2.gz SHJNZKSFXDOOFA-CYBMUJFWSA-N 1 2 336.391 2.609 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000282338722 474028660 /nfs/dbraw/zinc/02/86/60/474028660.db2.gz LZEFANRTIQONFL-PWSUYJOCSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000282338722 474028666 /nfs/dbraw/zinc/02/86/66/474028666.db2.gz 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ZINC000289759652 474413351 /nfs/dbraw/zinc/41/33/51/474413351.db2.gz LOEYWLNJTQEMGY-WBVHZDCISA-N 1 2 347.415 2.731 20 5 EFBDLO COc1cc(CSc2[nH+]cnc3c2cnn3C)c([N+](=O)[O-])cc1F ZINC000183847867 474438083 /nfs/dbraw/zinc/43/80/83/474438083.db2.gz TYFHTXZFWZMQDV-UHFFFAOYSA-N 1 2 349.347 2.712 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000276246094 474466523 /nfs/dbraw/zinc/46/65/23/474466523.db2.gz PZFRORUVEQRZQZ-CYBMUJFWSA-N 1 2 325.796 2.549 20 5 EFBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184296967 474496599 /nfs/dbraw/zinc/49/65/99/474496599.db2.gz IDQLYTZOKVLNMW-UHFFFAOYSA-N 1 2 329.356 2.509 20 5 EFBDLO Nc1c(F)c(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266834248 474498554 /nfs/dbraw/zinc/49/85/54/474498554.db2.gz DQJGPVALVGJROM-UHFFFAOYSA-N 1 2 331.351 2.923 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289972381 474508064 /nfs/dbraw/zinc/50/80/64/474508064.db2.gz XHCMMFAUHGTOMM-DAXOMENPSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289972381 474508067 /nfs/dbraw/zinc/50/80/67/474508067.db2.gz XHCMMFAUHGTOMM-DAXOMENPSA-N 1 2 347.415 2.811 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)oc1C ZINC000266939102 474539256 /nfs/dbraw/zinc/53/92/56/474539256.db2.gz AQFYQICVIADRLZ-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000267005214 474562738 /nfs/dbraw/zinc/56/27/38/474562738.db2.gz JOMCCSVEHBFMAP-AWEZNQCLSA-N 1 2 344.408 2.523 20 5 EFBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000267005214 474562745 /nfs/dbraw/zinc/56/27/45/474562745.db2.gz JOMCCSVEHBFMAP-AWEZNQCLSA-N 1 2 344.408 2.523 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249371155 474562793 /nfs/dbraw/zinc/56/27/93/474562793.db2.gz BNLIMMOLLXEIOJ-QWHCGFSZSA-N 1 2 343.387 2.525 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249371155 474562800 /nfs/dbraw/zinc/56/28/00/474562800.db2.gz BNLIMMOLLXEIOJ-QWHCGFSZSA-N 1 2 343.387 2.525 20 5 EFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184664712 474577840 /nfs/dbraw/zinc/57/78/40/474577840.db2.gz HIZQOFTWURHIAH-TZMCWYRMSA-N 1 2 347.371 2.801 20 5 EFBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000184664285 474578204 /nfs/dbraw/zinc/57/82/04/474578204.db2.gz DOHXXPKUOHLGBN-OAHLLOKOSA-N 1 2 347.371 2.720 20 5 EFBDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000184708678 474590708 /nfs/dbraw/zinc/59/07/08/474590708.db2.gz MUPWGIOUFYYGFX-VIFPVBQESA-N 1 2 334.401 2.563 20 5 EFBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184736661 474597288 /nfs/dbraw/zinc/59/72/88/474597288.db2.gz IGZIRYUHCHPRSE-DOMZBBRYSA-N 1 2 347.371 2.801 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723551 474606268 /nfs/dbraw/zinc/60/62/68/474606268.db2.gz OERMPYGFMBYVMF-YCPHGPKFSA-N 1 2 348.399 2.910 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723551 474606272 /nfs/dbraw/zinc/60/62/72/474606272.db2.gz OERMPYGFMBYVMF-YCPHGPKFSA-N 1 2 348.399 2.910 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131626 480115176 /nfs/dbraw/zinc/11/51/76/480115176.db2.gz UOMNDEUNNGRTQS-GFCCVEGCSA-N 1 2 334.763 2.922 20 5 EFBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249823976 474618062 /nfs/dbraw/zinc/61/80/62/474618062.db2.gz OZGMPQIQJGZNPU-UMVBOHGHSA-N 1 2 339.461 2.730 20 5 EFBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249823976 474618065 /nfs/dbraw/zinc/61/80/65/474618065.db2.gz OZGMPQIQJGZNPU-UMVBOHGHSA-N 1 2 339.461 2.730 20 5 EFBDLO COc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000272888649 474635224 /nfs/dbraw/zinc/63/52/24/474635224.db2.gz YBDJXUZEOGEFLC-UHFFFAOYSA-N 1 2 345.359 2.622 20 5 EFBDLO CCc1cc(NC[C@@H](COC)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272919657 474641535 /nfs/dbraw/zinc/64/15/35/474641535.db2.gz KESGDHCJARLCHT-HNNXBMFYSA-N 1 2 346.387 2.688 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000272942770 474647343 /nfs/dbraw/zinc/64/73/43/474647343.db2.gz MMNLNBJDIXQWSJ-UHFFFAOYSA-N 1 2 341.415 2.632 20 5 EFBDLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272947398 474647591 /nfs/dbraw/zinc/64/75/91/474647591.db2.gz OYDDEQGRHAYWIH-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272947398 474647595 /nfs/dbraw/zinc/64/75/95/474647595.db2.gz OYDDEQGRHAYWIH-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO Cc1cc(N[C@@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273010391 474670509 /nfs/dbraw/zinc/67/05/09/474670509.db2.gz AVLUQKLLGRJHTD-RULNZOCKSA-N 1 2 334.401 2.539 20 5 EFBDLO CC(C)[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1[nH]cc[nH+]1 ZINC000278588512 474721975 /nfs/dbraw/zinc/72/19/75/474721975.db2.gz KDQRYMYYLZVOOY-CQSZACIVSA-N 1 2 327.344 2.926 20 5 EFBDLO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267969982 474729769 /nfs/dbraw/zinc/72/97/69/474729769.db2.gz ZJKFJQWRGBXVGV-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267969982 474729783 /nfs/dbraw/zinc/72/97/83/474729783.db2.gz ZJKFJQWRGBXVGV-ZDUSSCGKSA-N 1 2 328.372 2.839 20 5 EFBDLO CCc1cc(N[C@@H](C)C[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273203704 474776351 /nfs/dbraw/zinc/77/63/51/474776351.db2.gz SRZLVEZYVWOCJT-APXPCNQMSA-N 1 2 348.428 2.793 20 5 EFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293065314 474793486 /nfs/dbraw/zinc/79/34/86/474793486.db2.gz NTOZMKFSOHJIDR-UHFFFAOYSA-N 1 2 332.360 2.670 20 5 EFBDLO Cc1cc(C[NH+]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000255067038 474798792 /nfs/dbraw/zinc/79/87/92/474798792.db2.gz TUIDSVXZQGAPFK-XQRVVYSFSA-N 1 2 342.399 2.722 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163849 474846913 /nfs/dbraw/zinc/84/69/13/474846913.db2.gz COKBSBROJVBACR-KGLIPLIRSA-N 1 2 340.445 2.721 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163849 474846919 /nfs/dbraw/zinc/84/69/19/474846919.db2.gz COKBSBROJVBACR-KGLIPLIRSA-N 1 2 340.445 2.721 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000617219555 480129644 /nfs/dbraw/zinc/12/96/44/480129644.db2.gz WCDIKJQVDVUDFS-HNNXBMFYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOc1cc(C[N@H+]2CCCCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000617219555 480129649 /nfs/dbraw/zinc/12/96/49/480129649.db2.gz WCDIKJQVDVUDFS-HNNXBMFYSA-N 1 2 336.388 2.911 20 5 EFBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292177576 474889608 /nfs/dbraw/zinc/88/96/08/474889608.db2.gz QGHAPBCDBTYJNU-ZWNOBZJWSA-N 1 2 345.321 2.626 20 5 EFBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292177576 474889614 /nfs/dbraw/zinc/88/96/14/474889614.db2.gz QGHAPBCDBTYJNU-ZWNOBZJWSA-N 1 2 345.321 2.626 20 5 EFBDLO Cc1noc(C2(C)CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000339080516 474909684 /nfs/dbraw/zinc/90/96/84/474909684.db2.gz FDSMQNZGWXUZJM-UHFFFAOYSA-N 1 2 332.360 2.546 20 5 EFBDLO CCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339084140 474912645 /nfs/dbraw/zinc/91/26/45/474912645.db2.gz QUFJBOYOKAURIQ-CQSZACIVSA-N 1 2 341.371 2.974 20 5 EFBDLO CC(C)([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000292251324 474923385 /nfs/dbraw/zinc/92/33/85/474923385.db2.gz XRUIMZQXTQMAAV-UHFFFAOYSA-N 1 2 329.404 2.938 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000273504372 474933599 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EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000609312285 480142505 /nfs/dbraw/zinc/14/25/05/480142505.db2.gz MHZYVWXRPGQNKG-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000609312285 480142512 /nfs/dbraw/zinc/14/25/12/480142512.db2.gz MHZYVWXRPGQNKG-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000337444706 475026736 /nfs/dbraw/zinc/02/67/36/475026736.db2.gz HVEPZSRKSZMNSN-UHFFFAOYSA-N 1 2 343.358 2.700 20 5 EFBDLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000337444706 475026742 /nfs/dbraw/zinc/02/67/42/475026742.db2.gz HVEPZSRKSZMNSN-UHFFFAOYSA-N 1 2 343.358 2.700 20 5 EFBDLO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339231041 475061409 /nfs/dbraw/zinc/06/14/09/475061409.db2.gz MQTHOUILILFIFC-LSDHHAIUSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339231041 475061418 /nfs/dbraw/zinc/06/14/18/475061418.db2.gz MQTHOUILILFIFC-LSDHHAIUSA-N 1 2 335.404 2.731 20 5 EFBDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337545590 475112606 /nfs/dbraw/zinc/11/26/06/475112606.db2.gz NWIMZOVLGJWCHU-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000337545590 475112614 /nfs/dbraw/zinc/11/26/14/475112614.db2.gz NWIMZOVLGJWCHU-UHFFFAOYSA-N 1 2 329.356 2.565 20 5 EFBDLO COc1cc[nH+]cc1COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000292669265 475143534 /nfs/dbraw/zinc/14/35/34/475143534.db2.gz DICSGLVNNSLUJC-UHFFFAOYSA-N 1 2 349.318 2.561 20 5 EFBDLO COc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295984328 475155645 /nfs/dbraw/zinc/15/56/45/475155645.db2.gz UDMHFSNFENDATN-CQSZACIVSA-N 1 2 344.371 2.560 20 5 EFBDLO COc1coc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1=O ZINC000269073404 475161725 /nfs/dbraw/zinc/16/17/25/475161725.db2.gz BCLFVMSVZHYGBK-UHFFFAOYSA-N 1 2 330.340 2.721 20 5 EFBDLO COc1coc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1=O ZINC000269073404 475161735 /nfs/dbraw/zinc/16/17/35/475161735.db2.gz BCLFVMSVZHYGBK-UHFFFAOYSA-N 1 2 330.340 2.721 20 5 EFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281314749 475166933 /nfs/dbraw/zinc/16/69/33/475166933.db2.gz IJBZMTSQNHEXLV-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281314749 475166939 /nfs/dbraw/zinc/16/69/39/475166939.db2.gz IJBZMTSQNHEXLV-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000292768344 475188178 /nfs/dbraw/zinc/18/81/78/475188178.db2.gz KCVQRXKRZOVMTB-UHFFFAOYSA-N 1 2 333.417 2.645 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296149089 475208769 /nfs/dbraw/zinc/20/87/69/475208769.db2.gz KJBKRJASMHOHAS-FDMDGMSGSA-N 1 2 340.383 2.951 20 5 EFBDLO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000341698086 475231201 /nfs/dbraw/zinc/23/12/01/475231201.db2.gz VZCZRZKLFGUYSK-CYBMUJFWSA-N 1 2 334.401 2.537 20 5 EFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)Cn1cc[nH+]c1 ZINC000296272911 475248884 /nfs/dbraw/zinc/24/88/84/475248884.db2.gz GXVQNSKUWJBVCY-NSHDSACASA-N 1 2 327.344 2.849 20 5 EFBDLO NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000339488684 475250857 /nfs/dbraw/zinc/25/08/57/475250857.db2.gz BLKGTIWUSUVWLH-UHFFFAOYSA-N 1 2 346.412 2.520 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000347357015 475263272 /nfs/dbraw/zinc/26/32/72/475263272.db2.gz DVIHNCZYCMHOJD-RCBBPTIPSA-N 1 2 327.388 2.964 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000347357015 475263279 /nfs/dbraw/zinc/26/32/79/475263279.db2.gz DVIHNCZYCMHOJD-RCBBPTIPSA-N 1 2 327.388 2.964 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC000347403029 475298419 /nfs/dbraw/zinc/29/84/19/475298419.db2.gz HUHWYFOKFZMHSR-LBPRGKRZSA-N 1 2 336.355 2.624 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339674758 475398318 /nfs/dbraw/zinc/39/83/18/475398318.db2.gz AQQDVGAFWJDACC-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339674758 475398326 /nfs/dbraw/zinc/39/83/26/475398326.db2.gz AQQDVGAFWJDACC-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331783557 475412291 /nfs/dbraw/zinc/41/22/91/475412291.db2.gz IEOVOWCUXWDIMM-MRXNPFEDSA-N 1 2 330.388 2.988 20 5 EFBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331783557 475412296 /nfs/dbraw/zinc/41/22/96/475412296.db2.gz IEOVOWCUXWDIMM-MRXNPFEDSA-N 1 2 330.388 2.988 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1-c1ccccc1 ZINC000352565303 475417292 /nfs/dbraw/zinc/41/72/92/475417292.db2.gz XJOPREWBOQWQCH-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1-c1ccccc1 ZINC000352565303 475417301 /nfs/dbraw/zinc/41/73/01/475417301.db2.gz XJOPREWBOQWQCH-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800503 475420949 /nfs/dbraw/zinc/42/09/49/475420949.db2.gz FDBAQNODJVSVEJ-XHPSBEMXSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800503 475420959 /nfs/dbraw/zinc/42/09/59/475420959.db2.gz FDBAQNODJVSVEJ-XHPSBEMXSA-N 1 2 344.371 2.930 20 5 EFBDLO COC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339702391 475425135 /nfs/dbraw/zinc/42/51/35/475425135.db2.gz NNKJKKGFFIKPJA-NSHDSACASA-N 1 2 344.371 2.606 20 5 EFBDLO Cc1c(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000331835443 475429029 /nfs/dbraw/zinc/42/90/29/475429029.db2.gz ATFXJPCMSCYWGL-UHFFFAOYSA-N 1 2 343.387 2.716 20 5 EFBDLO Cc1c(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000331835443 475429037 /nfs/dbraw/zinc/42/90/37/475429037.db2.gz ATFXJPCMSCYWGL-UHFFFAOYSA-N 1 2 343.387 2.716 20 5 EFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccncc1F ZINC000337954716 475457879 /nfs/dbraw/zinc/45/78/79/475457879.db2.gz SYAIVWVDSIXAMW-JTQLQIEISA-N 1 2 333.319 2.846 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[S@@](=O)c1ccccc1)CCO2 ZINC000352621543 475466415 /nfs/dbraw/zinc/46/64/15/475466415.db2.gz QTOULBGHFDNGIN-XMMPIXPASA-N 1 2 346.408 2.597 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[S@@](=O)c1ccccc1)CCO2 ZINC000352621543 475466424 /nfs/dbraw/zinc/46/64/24/475466424.db2.gz QTOULBGHFDNGIN-XMMPIXPASA-N 1 2 346.408 2.597 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953484 475467421 /nfs/dbraw/zinc/46/74/21/475467421.db2.gz KVIFXSBTXDXFCJ-PJODQICGSA-N 1 2 334.372 2.607 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953484 475467428 /nfs/dbraw/zinc/46/74/28/475467428.db2.gz KVIFXSBTXDXFCJ-PJODQICGSA-N 1 2 334.372 2.607 20 5 EFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361468176 475472773 /nfs/dbraw/zinc/47/27/73/475472773.db2.gz IJUQOIHCEAFNCE-INIZCTEOSA-N 1 2 331.347 2.782 20 5 EFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361468176 475472778 /nfs/dbraw/zinc/47/27/78/475472778.db2.gz IJUQOIHCEAFNCE-INIZCTEOSA-N 1 2 331.347 2.782 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352671255 475514868 /nfs/dbraw/zinc/51/48/68/475514868.db2.gz MLBDYGJWQZHZCW-GXSJLCMTSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352671255 475514873 /nfs/dbraw/zinc/51/48/73/475514873.db2.gz MLBDYGJWQZHZCW-GXSJLCMTSA-N 1 2 336.285 2.727 20 5 EFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342076764 475550330 /nfs/dbraw/zinc/55/03/30/475550330.db2.gz YQZRRXUKWSDPJQ-UHFFFAOYSA-N 1 2 338.323 2.621 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297020692 475577739 /nfs/dbraw/zinc/57/77/39/475577739.db2.gz AGVHEFROPWVHED-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)[NH+]1CCOCC1 ZINC000354985608 475578744 /nfs/dbraw/zinc/57/87/44/475578744.db2.gz ROESUAPGVUZRMM-GFCCVEGCSA-N 1 2 345.355 2.833 20 5 EFBDLO CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000348366829 475624491 /nfs/dbraw/zinc/62/44/91/475624491.db2.gz JACFULRSQLOYRV-HNNXBMFYSA-N 1 2 349.822 2.850 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352791169 475628496 /nfs/dbraw/zinc/62/84/96/475628496.db2.gz XYKMTGZENNGHNK-HNNXBMFYSA-N 1 2 339.355 2.518 20 5 EFBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cn1 ZINC000339959344 475641096 /nfs/dbraw/zinc/64/10/96/475641096.db2.gz XMMGWWNDUPICHC-INIZCTEOSA-N 1 2 346.362 2.614 20 5 EFBDLO CC(=O)c1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000339977558 475655699 /nfs/dbraw/zinc/65/56/99/475655699.db2.gz NMZWPZQGFGWTRO-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO Cc1nc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000297294093 475694148 /nfs/dbraw/zinc/69/41/48/475694148.db2.gz YCCWDCZVGMWYBZ-CYBMUJFWSA-N 1 2 337.330 2.686 20 5 EFBDLO Cc1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc[nH+]1 ZINC000346613360 475698866 /nfs/dbraw/zinc/69/88/66/475698866.db2.gz XMFIAIBZLXKTHC-UHFFFAOYSA-N 1 2 341.293 2.658 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361770005 475736692 /nfs/dbraw/zinc/73/66/92/475736692.db2.gz DCZXUUWSAXKPGX-UHFFFAOYSA-N 1 2 328.250 2.609 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000348572997 475766421 /nfs/dbraw/zinc/76/64/21/475766421.db2.gz VABADNKCHXUHQU-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000348572997 475766432 /nfs/dbraw/zinc/76/64/32/475766432.db2.gz VABADNKCHXUHQU-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO CCN1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000355333093 475836758 /nfs/dbraw/zinc/83/67/58/475836758.db2.gz PIXDBXSNFMSQSD-QQOXCAACSA-N 1 2 341.415 2.710 20 5 EFBDLO CCN1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000355333093 475836763 /nfs/dbraw/zinc/83/67/63/475836763.db2.gz PIXDBXSNFMSQSD-QQOXCAACSA-N 1 2 341.415 2.710 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000343238668 475877668 /nfs/dbraw/zinc/87/76/68/475877668.db2.gz ZGHQZMDNSLWQLC-NSHDSACASA-N 1 2 334.401 2.722 20 5 EFBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341429 475909764 /nfs/dbraw/zinc/90/97/64/475909764.db2.gz PAQHZIISIYTROW-ZIAGYGMSSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341429 475909770 /nfs/dbraw/zinc/90/97/70/475909770.db2.gz PAQHZIISIYTROW-ZIAGYGMSSA-N 1 2 349.434 2.846 20 5 EFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358782823 475934430 /nfs/dbraw/zinc/93/44/30/475934430.db2.gz SFBDBZFIZBRLEL-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000346972948 476000730 /nfs/dbraw/zinc/00/07/30/476000730.db2.gz OASNYPHMGGESQB-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000346972948 476000733 /nfs/dbraw/zinc/00/07/33/476000733.db2.gz OASNYPHMGGESQB-QGZVFWFLSA-N 1 2 340.383 2.790 20 5 EFBDLO Cc1ccc(C[N@H+](C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000353484787 476009381 /nfs/dbraw/zinc/00/93/81/476009381.db2.gz YGTBGNIWVVQFMB-UHFFFAOYSA-N 1 2 333.413 2.713 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000353484787 476009386 /nfs/dbraw/zinc/00/93/86/476009386.db2.gz YGTBGNIWVVQFMB-UHFFFAOYSA-N 1 2 333.413 2.713 20 5 EFBDLO Cc1noc(C)c1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499607 476023315 /nfs/dbraw/zinc/02/33/15/476023315.db2.gz VNWSVXPSDPNUGX-MRXNPFEDSA-N 1 2 341.371 2.812 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000355549072 476024675 /nfs/dbraw/zinc/02/46/75/476024675.db2.gz VEUOFHQAMBYTDD-HNNXBMFYSA-N 1 2 348.378 2.649 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000355549072 476024683 /nfs/dbraw/zinc/02/46/83/476024683.db2.gz VEUOFHQAMBYTDD-HNNXBMFYSA-N 1 2 348.378 2.649 20 5 EFBDLO Cn1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000353520302 476042264 /nfs/dbraw/zinc/04/22/64/476042264.db2.gz NYBOHHXELRZZOY-INIZCTEOSA-N 1 2 325.372 2.546 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353531277 476050857 /nfs/dbraw/zinc/05/08/57/476050857.db2.gz NZSQELIXLFYSMR-CVEARBPZSA-N 1 2 346.431 2.804 20 5 EFBDLO CCc1nn(C)cc1N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353584850 476101594 /nfs/dbraw/zinc/10/15/94/476101594.db2.gz LURTYTINKKUIOU-MRXNPFEDSA-N 1 2 340.387 2.826 20 5 EFBDLO CCn1cc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353647988 476154206 /nfs/dbraw/zinc/15/42/06/476154206.db2.gz NIYMGYZSNJQNDT-HNNXBMFYSA-N 1 2 326.360 2.746 20 5 EFBDLO CCn1cc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353647989 476154888 /nfs/dbraw/zinc/15/48/88/476154888.db2.gz NIYMGYZSNJQNDT-OAHLLOKOSA-N 1 2 326.360 2.746 20 5 EFBDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000357034574 476175841 /nfs/dbraw/zinc/17/58/41/476175841.db2.gz ZTMXBXRINNIABA-INIZCTEOSA-N 1 2 348.378 2.744 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680875 476183220 /nfs/dbraw/zinc/18/32/20/476183220.db2.gz VJYKDRCPRFQTCG-UHFFFAOYSA-N 1 2 325.328 2.906 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)nc1-c1ccc(F)cc1 ZINC000362348203 476185711 /nfs/dbraw/zinc/18/57/11/476185711.db2.gz FRZMGMCFKBTZOK-UHFFFAOYSA-N 1 2 341.346 2.917 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000359103171 476191011 /nfs/dbraw/zinc/19/10/11/476191011.db2.gz ADJODTZREYULDS-UHFFFAOYSA-N 1 2 345.424 2.543 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347254470 476206625 /nfs/dbraw/zinc/20/66/25/476206625.db2.gz HYJRIKMICDBVHY-UHFFFAOYSA-N 1 2 347.350 2.631 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279098 476225665 /nfs/dbraw/zinc/22/56/65/476225665.db2.gz WNPKXRHRKZZQPU-UHFFFAOYSA-N 1 2 335.339 2.908 20 5 EFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344298405 476227677 /nfs/dbraw/zinc/22/76/77/476227677.db2.gz MVLBVVUZSUYXEK-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO CC[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000362493521 476282174 /nfs/dbraw/zinc/28/21/74/476282174.db2.gz WUMCSOPLVQTHFB-UHFFFAOYSA-N 1 2 342.399 2.823 20 5 EFBDLO CC[N@@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000362493521 476282177 /nfs/dbraw/zinc/28/21/77/476282177.db2.gz WUMCSOPLVQTHFB-UHFFFAOYSA-N 1 2 342.399 2.823 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362596592 476322098 /nfs/dbraw/zinc/32/20/98/476322098.db2.gz OQBSTWXIOJKBNS-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362596592 476322100 /nfs/dbraw/zinc/32/21/00/476322100.db2.gz OQBSTWXIOJKBNS-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO Cc1cc(N2CC[C@@H](CO)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362682217 476349835 /nfs/dbraw/zinc/34/98/35/476349835.db2.gz XJODYDDHRIZLMO-JSGCOSHPSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(N2CC[C@H](CO)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362682216 476350003 /nfs/dbraw/zinc/35/00/03/476350003.db2.gz XJODYDDHRIZLMO-GXTWGEPZSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(Cc2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207037 476360382 /nfs/dbraw/zinc/36/03/82/476360382.db2.gz AFYGBHSQPNPDOI-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1cc(Cc2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207037 476360387 /nfs/dbraw/zinc/36/03/87/476360387.db2.gz AFYGBHSQPNPDOI-HNNXBMFYSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1cc(Cc2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207038 476360652 /nfs/dbraw/zinc/36/06/52/476360652.db2.gz AFYGBHSQPNPDOI-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1cc(Cc2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207038 476360657 /nfs/dbraw/zinc/36/06/57/476360657.db2.gz AFYGBHSQPNPDOI-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1c(Cc2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286879 476397017 /nfs/dbraw/zinc/39/70/17/476397017.db2.gz PGRAWTJOBRTSAE-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1c(Cc2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286879 476397022 /nfs/dbraw/zinc/39/70/22/476397022.db2.gz PGRAWTJOBRTSAE-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000360840853 476421123 /nfs/dbraw/zinc/42/11/23/476421123.db2.gz DBYPTBMCVLJDIR-UHFFFAOYSA-N 1 2 326.356 2.519 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000354100002 476425042 /nfs/dbraw/zinc/42/50/42/476425042.db2.gz JBJILQMYERDKNA-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000354100002 476425048 /nfs/dbraw/zinc/42/50/48/476425048.db2.gz JBJILQMYERDKNA-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354108680 476433471 /nfs/dbraw/zinc/43/34/71/476433471.db2.gz GKIYQWWFPQXOCF-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354108680 476433473 /nfs/dbraw/zinc/43/34/73/476433473.db2.gz GKIYQWWFPQXOCF-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CSc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000362839597 476433888 /nfs/dbraw/zinc/43/38/88/476433888.db2.gz 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Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000370119251 476673253 /nfs/dbraw/zinc/67/32/53/476673253.db2.gz FVIIYPHEIPGJPM-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO C[C@@H]1COCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000370182916 476687278 /nfs/dbraw/zinc/68/72/78/476687278.db2.gz JRGBREVBXQGXGT-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@@H]1COCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000370182916 476687282 /nfs/dbraw/zinc/68/72/82/476687282.db2.gz JRGBREVBXQGXGT-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878758 476694438 /nfs/dbraw/zinc/69/44/38/476694438.db2.gz OCAWQDCIFIVLSL-INIZCTEOSA-N 1 2 340.387 2.895 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878758 476694442 /nfs/dbraw/zinc/69/44/42/476694442.db2.gz OCAWQDCIFIVLSL-INIZCTEOSA-N 1 2 340.387 2.895 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000375179376 476705334 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Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000370392394 476788825 /nfs/dbraw/zinc/78/88/25/476788825.db2.gz YPBMBWXJZCXTGO-GXTWGEPZSA-N 1 2 328.372 2.540 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CC)CN1C(C)=O ZINC000430242760 476789075 /nfs/dbraw/zinc/78/90/75/476789075.db2.gz SWGUIYYGQMAIMC-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CC)CN1C(C)=O ZINC000430242760 476789081 /nfs/dbraw/zinc/78/90/81/476789081.db2.gz SWGUIYYGQMAIMC-HZPDHXFCSA-N 1 2 349.431 2.825 20 5 EFBDLO CCNc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000396998199 476852985 /nfs/dbraw/zinc/85/29/85/476852985.db2.gz YMJHLFFCTMTWCH-UHFFFAOYSA-N 1 2 328.372 2.968 20 5 EFBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000446842672 476927969 /nfs/dbraw/zinc/92/79/69/476927969.db2.gz GYNWHLVONBLJGF-LYASGUKUSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000446842672 476927975 /nfs/dbraw/zinc/92/79/75/476927975.db2.gz GYNWHLVONBLJGF-LYASGUKUSA-N 1 2 338.429 2.507 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1c[nH+]ccc1OC ZINC000431414215 477025332 /nfs/dbraw/zinc/02/53/32/477025332.db2.gz LBVTVYIDJDGAIO-UHFFFAOYSA-N 1 2 331.328 2.706 20 5 EFBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000370925983 477040399 /nfs/dbraw/zinc/04/03/99/477040399.db2.gz YFBXAAFJQABMBY-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000370925983 477040401 /nfs/dbraw/zinc/04/04/01/477040401.db2.gz YFBXAAFJQABMBY-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000370952623 477053380 /nfs/dbraw/zinc/05/33/80/477053380.db2.gz HLMJSJGZKGXCBN-LLVKDONJSA-N 1 2 334.401 2.777 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC(F)(F)F ZINC000447801972 477058330 /nfs/dbraw/zinc/05/83/30/477058330.db2.gz GGWZYIKPGAUAAE-UHFFFAOYSA-N 1 2 333.310 2.791 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1CCOCC1 ZINC000447802300 477060607 /nfs/dbraw/zinc/06/06/07/477060607.db2.gz JKAXSRPLJMLHON-UHFFFAOYSA-N 1 2 349.431 2.656 20 5 EFBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000447827520 477068095 /nfs/dbraw/zinc/06/80/95/477068095.db2.gz BXTDNNZRZKBXAK-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000447827520 477068103 /nfs/dbraw/zinc/06/81/03/477068103.db2.gz BXTDNNZRZKBXAK-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833614 477071070 /nfs/dbraw/zinc/07/10/70/477071070.db2.gz UDVXWPYOOHKPLK-CJNGLKHVSA-N 1 2 349.431 2.977 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833614 477071076 /nfs/dbraw/zinc/07/10/76/477071076.db2.gz UDVXWPYOOHKPLK-CJNGLKHVSA-N 1 2 349.431 2.977 20 5 EFBDLO COCC[N@H+](Cc1cncs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000447849837 477075040 /nfs/dbraw/zinc/07/50/40/477075040.db2.gz JLHAFKYGXQKAKC-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO COCC[N@@H+](Cc1cncs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000447849837 477075048 /nfs/dbraw/zinc/07/50/48/477075048.db2.gz JLHAFKYGXQKAKC-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCCOC2)O1 ZINC000366579429 477078244 /nfs/dbraw/zinc/07/82/44/477078244.db2.gz QWGQGLFSPWZSLG-SJKOYZFVSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCCOC2)O1 ZINC000366579429 477078252 /nfs/dbraw/zinc/07/82/52/477078252.db2.gz QWGQGLFSPWZSLG-SJKOYZFVSA-N 1 2 347.371 2.506 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000371020820 477084843 /nfs/dbraw/zinc/08/48/43/477084843.db2.gz ZKHOOYOVDDBGCG-OAHLLOKOSA-N 1 2 342.399 2.791 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000375930876 477089543 /nfs/dbraw/zinc/08/95/43/477089543.db2.gz HEQUBDIXFRKREG-AWEZNQCLSA-N 1 2 328.372 2.657 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411136327 477124198 /nfs/dbraw/zinc/12/41/98/477124198.db2.gz SLPNBBHJUVYXFB-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411136327 477124202 /nfs/dbraw/zinc/12/42/02/477124202.db2.gz SLPNBBHJUVYXFB-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457721395 477161737 /nfs/dbraw/zinc/16/17/37/477161737.db2.gz MDGJKQVVMXCKIB-UHFFFAOYSA-N 1 2 337.445 2.918 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366762545 477174445 /nfs/dbraw/zinc/17/44/45/477174445.db2.gz XIPVJEMJCCKJKF-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000411297679 477184814 /nfs/dbraw/zinc/18/48/14/477184814.db2.gz MQDNEKBHGZYYEK-NSHDSACASA-N 1 2 331.376 2.626 20 5 EFBDLO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000453407725 477223044 /nfs/dbraw/zinc/22/30/44/477223044.db2.gz MMDFRVDEFIAPAT-KCXAZCMYSA-N 1 2 330.388 2.575 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000453604320 477248758 /nfs/dbraw/zinc/24/87/58/477248758.db2.gz YTMGXUPJIJINDV-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000453604320 477248765 /nfs/dbraw/zinc/24/87/65/477248765.db2.gz YTMGXUPJIJINDV-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000376380911 477307619 /nfs/dbraw/zinc/30/76/19/477307619.db2.gz CRGUMIYFHWTMKS-UHFFFAOYSA-N 1 2 344.400 2.769 20 5 EFBDLO CC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000376394709 477313307 /nfs/dbraw/zinc/31/33/07/477313307.db2.gz IEUBQAXLTFRKEB-AEFFLSMTSA-N 1 2 347.415 2.853 20 5 EFBDLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000371429717 477315878 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341.367 2.742 20 5 EFBDLO O=C1[C@@H]([N@H+]2CCCc3occc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367321401 477452544 /nfs/dbraw/zinc/45/25/44/477452544.db2.gz GQJLUBMVGHOLQS-INIZCTEOSA-N 1 2 341.367 2.742 20 5 EFBDLO CCOC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413023719 477474370 /nfs/dbraw/zinc/47/43/70/477474370.db2.gz KECYEYKKANUDGQ-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO CCN(CC)C(=O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413055860 477489980 /nfs/dbraw/zinc/48/99/80/477489980.db2.gz BWTIIGCWVWPRTF-UHFFFAOYSA-N 1 2 330.388 2.625 20 5 EFBDLO C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000413055816 477490518 /nfs/dbraw/zinc/49/05/18/477490518.db2.gz BRDDMIIFQNWAFS-QWRGUYRKSA-N 1 2 347.350 2.881 20 5 EFBDLO CN(CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000413057705 477491319 /nfs/dbraw/zinc/49/13/19/477491319.db2.gz YOQJAAGTFGNFHG-UHFFFAOYSA-N 1 2 342.321 2.861 20 5 EFBDLO COc1ccc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000455106744 477501619 /nfs/dbraw/zinc/50/16/19/477501619.db2.gz SPBOCVLNIIFZMU-KOLCDFICSA-N 1 2 331.332 2.627 20 5 EFBDLO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000413090641 477510686 /nfs/dbraw/zinc/51/06/86/477510686.db2.gz AQWUXEJGQMFZNG-UHFFFAOYSA-N 1 2 332.335 2.705 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455174690 477530971 /nfs/dbraw/zinc/53/09/71/477530971.db2.gz VMXJGDVIHOIVOJ-JOYOIKCWSA-N 1 2 331.332 2.627 20 5 EFBDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449333232 477551248 /nfs/dbraw/zinc/55/12/48/477551248.db2.gz FXVJZOOUNMSVPK-VXGBXAGGSA-N 1 2 334.376 2.796 20 5 EFBDLO CN(C)C(=O)CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413250288 477590110 /nfs/dbraw/zinc/59/01/10/477590110.db2.gz UTUXHBFCDGWHNE-UHFFFAOYSA-N 1 2 342.399 2.838 20 5 EFBDLO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436871926 477621741 /nfs/dbraw/zinc/62/17/41/477621741.db2.gz 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CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455457573 477640895 /nfs/dbraw/zinc/64/08/95/477640895.db2.gz FQVYXVNPQUFWRQ-LBPRGKRZSA-N 1 2 343.387 2.640 20 5 EFBDLO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436954310 477647598 /nfs/dbraw/zinc/64/75/98/477647598.db2.gz VJRSNLVICZEOHX-ZIAGYGMSSA-N 1 2 349.431 2.788 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000377149400 477666963 /nfs/dbraw/zinc/66/69/63/477666963.db2.gz IQKIAJWUXOUTMJ-UHFFFAOYSA-N 1 2 328.372 2.967 20 5 EFBDLO CC[C@@](C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450717253 477694272 /nfs/dbraw/zinc/69/42/72/477694272.db2.gz POUMCWDCMIGGOQ-KRWDZBQOSA-N 1 2 337.420 2.654 20 5 EFBDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000450758598 477706412 /nfs/dbraw/zinc/70/64/12/477706412.db2.gz LZXIWGUCFPIMJD-CYBMUJFWSA-N 1 2 338.371 2.656 20 5 EFBDLO C[C@@H]1C[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000413534616 477717801 /nfs/dbraw/zinc/71/78/01/477717801.db2.gz PCDDUXZABJOGQF-FMKPAKJESA-N 1 2 349.431 2.652 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372305245 477746396 /nfs/dbraw/zinc/74/63/96/477746396.db2.gz NWVRTAVMAAUMFN-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(C)[nH+]1 ZINC000420703331 477766879 /nfs/dbraw/zinc/76/68/79/477766879.db2.gz VBLMWROQOSPHAD-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000451014259 477790806 /nfs/dbraw/zinc/79/08/06/477790806.db2.gz IGPZKPUTCXBGLB-HNNXBMFYSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000451014259 477790810 /nfs/dbraw/zinc/79/08/10/477790810.db2.gz IGPZKPUTCXBGLB-HNNXBMFYSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000451014259 477790815 /nfs/dbraw/zinc/79/08/15/477790815.db2.gz IGPZKPUTCXBGLB-HNNXBMFYSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000451014259 477790817 /nfs/dbraw/zinc/79/08/17/477790817.db2.gz IGPZKPUTCXBGLB-HNNXBMFYSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1cc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420851867 477795406 /nfs/dbraw/zinc/79/54/06/477795406.db2.gz RSBAJURFMLVMNM-UHFFFAOYSA-N 1 2 343.387 2.518 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000456173439 477807568 /nfs/dbraw/zinc/80/75/68/477807568.db2.gz GIBKKYIXGYMLKJ-LBPRGKRZSA-N 1 2 343.387 2.813 20 5 EFBDLO CCOC(=O)c1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000459303047 477829091 /nfs/dbraw/zinc/82/90/91/477829091.db2.gz MHJFNXOTZNIDPT-UHFFFAOYSA-N 1 2 348.359 2.565 20 5 EFBDLO CCOC(=O)c1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000459303047 477829099 /nfs/dbraw/zinc/82/90/99/477829099.db2.gz MHJFNXOTZNIDPT-UHFFFAOYSA-N 1 2 348.359 2.565 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](CC)O1 ZINC000420961271 477857308 /nfs/dbraw/zinc/85/73/08/477857308.db2.gz SDSVQONJPBBGGM-BBWFWOEESA-N 1 2 347.415 2.590 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](CC)O1 ZINC000420961271 477857317 /nfs/dbraw/zinc/85/73/17/477857317.db2.gz SDSVQONJPBBGGM-BBWFWOEESA-N 1 2 347.415 2.590 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420960086 477857605 /nfs/dbraw/zinc/85/76/05/477857605.db2.gz RAHUQZVWMKNWEO-VBNZEHGJSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420960086 477857612 /nfs/dbraw/zinc/85/76/12/477857612.db2.gz RAHUQZVWMKNWEO-VBNZEHGJSA-N 1 2 335.404 2.811 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456352919 477882001 /nfs/dbraw/zinc/88/20/01/477882001.db2.gz MDAJMHFWPXGSDH-NSHDSACASA-N 1 2 341.371 2.712 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456362269 477887147 /nfs/dbraw/zinc/88/71/47/477887147.db2.gz DVFRHWHSYKYVQO-DOMZBBRYSA-N 1 2 343.387 2.806 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456382259 477900321 /nfs/dbraw/zinc/90/03/21/477900321.db2.gz NASZAXKTVFDQAN-SKDRFNHKSA-N 1 2 332.385 2.949 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000456402127 477913936 /nfs/dbraw/zinc/91/39/36/477913936.db2.gz VZRVQOUYKANIRW-LLVKDONJSA-N 1 2 343.387 2.877 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2[nH+]ccn21 ZINC000456401677 477914018 /nfs/dbraw/zinc/91/40/18/477914018.db2.gz VXSHEGQEHVFPGE-SMDDNHRTSA-N 1 2 339.355 2.568 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000439005486 477918975 /nfs/dbraw/zinc/91/89/75/477918975.db2.gz FBTIILJBNZZZNG-CQSZACIVSA-N 1 2 331.347 2.920 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000439005486 477918985 /nfs/dbraw/zinc/91/89/85/477918985.db2.gz FBTIILJBNZZZNG-CQSZACIVSA-N 1 2 331.347 2.920 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000439005484 477919867 /nfs/dbraw/zinc/91/98/67/477919867.db2.gz FBTIILJBNZZZNG-AWEZNQCLSA-N 1 2 331.347 2.920 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000439005484 477919874 /nfs/dbraw/zinc/91/98/74/477919874.db2.gz FBTIILJBNZZZNG-AWEZNQCLSA-N 1 2 331.347 2.920 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456410338 477920601 /nfs/dbraw/zinc/92/06/01/477920601.db2.gz GGYIQDYVIDWCPO-BXUZGUMPSA-N 1 2 342.355 2.576 20 5 EFBDLO C[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1F ZINC000456418548 477925051 /nfs/dbraw/zinc/92/50/51/477925051.db2.gz LBNREYNQLTXWIL-ISTVAULSSA-N 1 2 332.335 2.856 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456425483 477926897 /nfs/dbraw/zinc/92/68/97/477926897.db2.gz QANCUOXHXYSGAX-WCQYABFASA-N 1 2 328.372 2.891 20 5 EFBDLO NC(=O)c1cccc(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000439174665 477939781 /nfs/dbraw/zinc/93/97/81/477939781.db2.gz YHBXBRHIZOZYBF-UHFFFAOYSA-N 1 2 339.355 2.615 20 5 EFBDLO Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2n1C1CC1 ZINC000559277899 477972471 /nfs/dbraw/zinc/97/24/71/477972471.db2.gz XNGCJRRSQVXOIF-UHFFFAOYSA-N 1 2 339.355 2.846 20 5 EFBDLO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(N)=O ZINC000428848502 477994700 /nfs/dbraw/zinc/99/47/00/477994700.db2.gz IINDQAWNFRUDKR-QFYYESIMSA-N 1 2 349.337 2.620 20 5 EFBDLO C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451433128 478017143 /nfs/dbraw/zinc/01/71/43/478017143.db2.gz QXPWMIQDJUTORI-TZMCWYRMSA-N 1 2 328.372 2.947 20 5 EFBDLO C[C@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451433114 478018051 /nfs/dbraw/zinc/01/80/51/478018051.db2.gz QXPWMIQDJUTORI-GXTWGEPZSA-N 1 2 328.372 2.947 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000421251694 478020839 /nfs/dbraw/zinc/02/08/39/478020839.db2.gz NRLPQDJGUGRKHY-HNNXBMFYSA-N 1 2 344.371 2.797 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000421251694 478020850 /nfs/dbraw/zinc/02/08/50/478020850.db2.gz NRLPQDJGUGRKHY-HNNXBMFYSA-N 1 2 344.371 2.797 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494655176 478035533 /nfs/dbraw/zinc/03/55/33/478035533.db2.gz ZXKGUNUFRUCVQQ-MRXNPFEDSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494655176 478035539 /nfs/dbraw/zinc/03/55/39/478035539.db2.gz ZXKGUNUFRUCVQQ-MRXNPFEDSA-N 1 2 347.415 2.733 20 5 EFBDLO COCc1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451547265 478082898 /nfs/dbraw/zinc/08/28/98/478082898.db2.gz KYIWNAPMIKCNGO-ZDUSSCGKSA-N 1 2 332.360 2.504 20 5 EFBDLO COCc1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451547265 478082905 /nfs/dbraw/zinc/08/29/05/478082905.db2.gz KYIWNAPMIKCNGO-ZDUSSCGKSA-N 1 2 332.360 2.504 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1(C)C ZINC000451565218 478096985 /nfs/dbraw/zinc/09/69/85/478096985.db2.gz MYDOXBIOBCRRJG-CQSZACIVSA-N 1 2 335.404 2.589 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1(C)C ZINC000451565218 478096993 /nfs/dbraw/zinc/09/69/93/478096993.db2.gz MYDOXBIOBCRRJG-CQSZACIVSA-N 1 2 335.404 2.589 20 5 EFBDLO CCC[C@@H](O)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488275069 478135744 /nfs/dbraw/zinc/13/57/44/478135744.db2.gz XBEOPHISBIWMLT-OAHLLOKOSA-N 1 2 330.388 2.609 20 5 EFBDLO CCC[C@H](O)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488275068 478136105 /nfs/dbraw/zinc/13/61/05/478136105.db2.gz XBEOPHISBIWMLT-HNNXBMFYSA-N 1 2 330.388 2.609 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CC(F)(F)C1 ZINC000488452483 478150659 /nfs/dbraw/zinc/15/06/59/478150659.db2.gz YCZPOCRRSFQWRD-UHFFFAOYSA-N 1 2 341.358 2.884 20 5 EFBDLO Cc1cc(N[C@@H](CO)C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534495507 478155007 /nfs/dbraw/zinc/15/50/07/478155007.db2.gz YVGCMDSQIXGQAQ-AWEZNQCLSA-N 1 2 330.388 2.601 20 5 EFBDLO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000518310264 478156584 /nfs/dbraw/zinc/15/65/84/478156584.db2.gz ALWFKQHRLUUHHR-JTQLQIEISA-N 1 2 343.225 2.673 20 5 EFBDLO CC[C@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000518310264 478156589 /nfs/dbraw/zinc/15/65/89/478156589.db2.gz ALWFKQHRLUUHHR-JTQLQIEISA-N 1 2 343.225 2.673 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCCSC1 ZINC000488535497 478157893 /nfs/dbraw/zinc/15/78/93/478157893.db2.gz UHKNDVMZPCLVMD-AWEZNQCLSA-N 1 2 337.445 2.735 20 5 EFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000535528407 478214500 /nfs/dbraw/zinc/21/45/00/478214500.db2.gz IAIUUMNTCDPJID-UHFFFAOYSA-N 1 2 339.355 2.950 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CC2)CC1 ZINC000590635415 478272645 /nfs/dbraw/zinc/27/26/45/478272645.db2.gz SMJQIDNTYJVTJP-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000495732555 478288182 /nfs/dbraw/zinc/28/81/82/478288182.db2.gz VHVBDCVDSRLNLB-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000597347137 478304991 /nfs/dbraw/zinc/30/49/91/478304991.db2.gz ABARLEZMGSGUCU-MRVWCRGKSA-N 1 2 328.372 2.618 20 5 EFBDLO C[C@H]1C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000520500546 478317226 /nfs/dbraw/zinc/31/72/26/478317226.db2.gz BEDBBOZFKULRMO-LSDHHAIUSA-N 1 2 349.431 2.654 20 5 EFBDLO C[C@@H]1C[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000520500543 478317544 /nfs/dbraw/zinc/31/75/44/478317544.db2.gz BEDBBOZFKULRMO-CABCVRRESA-N 1 2 349.431 2.654 20 5 EFBDLO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1n[nH]cc1Br ZINC000538415029 478358670 /nfs/dbraw/zinc/35/86/70/478358670.db2.gz ZKCFIVNWSRVDCB-HYXAFXHYSA-N 1 2 337.177 2.883 20 5 EFBDLO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1n[nH]cc1Br ZINC000538415028 478359067 /nfs/dbraw/zinc/35/90/67/478359067.db2.gz ZKCFIVNWSRVDCB-HWKANZROSA-N 1 2 337.177 2.883 20 5 EFBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000521301524 478372346 /nfs/dbraw/zinc/37/23/46/478372346.db2.gz SUWVMOVKKUPUIH-HNNXBMFYSA-N 1 2 349.434 2.848 20 5 EFBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000521301524 478372349 /nfs/dbraw/zinc/37/23/49/478372349.db2.gz SUWVMOVKKUPUIH-HNNXBMFYSA-N 1 2 349.434 2.848 20 5 EFBDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000563069670 478439231 /nfs/dbraw/zinc/43/92/31/478439231.db2.gz XWNICDDXXPCGPB-GFCCVEGCSA-N 1 2 341.795 2.686 20 5 EFBDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000563069670 478439237 /nfs/dbraw/zinc/43/92/37/478439237.db2.gz XWNICDDXXPCGPB-GFCCVEGCSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563082296 478443082 /nfs/dbraw/zinc/44/30/82/478443082.db2.gz ZISRLDWGIOPQBL-CHWSQXEVSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563082296 478443092 /nfs/dbraw/zinc/44/30/92/478443092.db2.gz ZISRLDWGIOPQBL-CHWSQXEVSA-N 1 2 333.388 2.565 20 5 EFBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C)c1 ZINC000594596164 478455993 /nfs/dbraw/zinc/45/59/93/478455993.db2.gz OHCDKTOYMZAAAR-UHFFFAOYSA-N 1 2 349.412 2.665 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597726427 478481644 /nfs/dbraw/zinc/48/16/44/478481644.db2.gz BTKFVWBTHIUQHM-GFCCVEGCSA-N 1 2 343.387 2.813 20 5 EFBDLO COCCN(C)c1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000600787590 478520781 /nfs/dbraw/zinc/52/07/81/478520781.db2.gz BGGNDNIYNLTMRJ-UHFFFAOYSA-N 1 2 345.355 2.526 20 5 EFBDLO Cc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000600792505 478524084 /nfs/dbraw/zinc/52/40/84/478524084.db2.gz ZABBGXBOJIRFKA-UHFFFAOYSA-N 1 2 340.383 2.667 20 5 EFBDLO CCCNC(=O)C[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541549985 478566422 /nfs/dbraw/zinc/56/64/22/478566422.db2.gz NTIAJVDGXRGEHB-GOSISDBHSA-N 1 2 345.399 2.955 20 5 EFBDLO CC[C@@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](CC)O1 ZINC000591505210 478569755 /nfs/dbraw/zinc/56/97/55/478569755.db2.gz LKIONUYULDWXQY-ZIAGYGMSSA-N 1 2 336.388 2.755 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1c[nH+]c2n1CCCC2 ZINC000595052270 478641824 /nfs/dbraw/zinc/64/18/24/478641824.db2.gz WMYGQPMSGNRGSK-GFCCVEGCSA-N 1 2 330.388 2.987 20 5 EFBDLO CCC[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595083130 478655570 /nfs/dbraw/zinc/65/55/70/478655570.db2.gz UXFPPVGVSPNGAS-LBPRGKRZSA-N 1 2 334.401 2.781 20 5 EFBDLO Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000601143195 478685142 /nfs/dbraw/zinc/68/51/42/478685142.db2.gz BFZUXVOHEZCCPJ-UHFFFAOYSA-N 1 2 339.193 2.689 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542809930 478692571 /nfs/dbraw/zinc/69/25/71/478692571.db2.gz IBCIXPXDFFAJOW-UHFFFAOYSA-N 1 2 346.412 2.991 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895173 478703310 /nfs/dbraw/zinc/70/33/10/478703310.db2.gz MIWOWCGKFLWJHF-BZNIZROVSA-N 1 2 346.412 2.771 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895173 478703318 /nfs/dbraw/zinc/70/33/18/478703318.db2.gz MIWOWCGKFLWJHF-BZNIZROVSA-N 1 2 346.412 2.771 20 5 EFBDLO Cc1c(Br)c(N2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000601186776 478713091 /nfs/dbraw/zinc/71/30/91/478713091.db2.gz AFQUOGWNKHQJIT-UHFFFAOYSA-N 1 2 343.225 2.591 20 5 EFBDLO Cc1c(Br)c(N2CC[N@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000601186776 478713100 /nfs/dbraw/zinc/71/31/00/478713100.db2.gz AFQUOGWNKHQJIT-UHFFFAOYSA-N 1 2 343.225 2.591 20 5 EFBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000595304842 478723319 /nfs/dbraw/zinc/72/33/19/478723319.db2.gz CYVQOOXOXKTCSC-UHFFFAOYSA-N 1 2 346.387 2.615 20 5 EFBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000595304842 478723324 /nfs/dbraw/zinc/72/33/24/478723324.db2.gz CYVQOOXOXKTCSC-UHFFFAOYSA-N 1 2 346.387 2.615 20 5 EFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595316925 478728449 /nfs/dbraw/zinc/72/84/49/478728449.db2.gz BREGLSZZFBOWHV-QGZVFWFLSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595316925 478728456 /nfs/dbraw/zinc/72/84/56/478728456.db2.gz BREGLSZZFBOWHV-QGZVFWFLSA-N 1 2 334.347 2.908 20 5 EFBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595375625 478752378 /nfs/dbraw/zinc/75/23/78/478752378.db2.gz CIKMUBUDLACGLS-ZFWWWQNUSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595375625 478752385 /nfs/dbraw/zinc/75/23/85/478752385.db2.gz CIKMUBUDLACGLS-ZFWWWQNUSA-N 1 2 344.408 2.522 20 5 EFBDLO Cc1noc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1[N+](=O)[O-] ZINC000595424875 478773979 /nfs/dbraw/zinc/77/39/79/478773979.db2.gz IFUHYZIIVACTCR-UHFFFAOYSA-N 1 2 332.360 2.638 20 5 EFBDLO Cc1noc(C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccccc2)n1 ZINC000595458621 478796159 /nfs/dbraw/zinc/79/61/59/478796159.db2.gz JFEHEUIOPSDEPY-CYBMUJFWSA-N 1 2 343.343 2.656 20 5 EFBDLO Cc1noc(C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])c2ccccc2)n1 ZINC000595458622 478797270 /nfs/dbraw/zinc/79/72/70/478797270.db2.gz JFEHEUIOPSDEPY-ZDUSSCGKSA-N 1 2 343.343 2.656 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000595465479 478799581 /nfs/dbraw/zinc/79/95/81/478799581.db2.gz OAYVRHRALSSTTE-ZWNOBZJWSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000595465479 478799587 /nfs/dbraw/zinc/79/95/87/478799587.db2.gz OAYVRHRALSSTTE-ZWNOBZJWSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000595465478 478800532 /nfs/dbraw/zinc/80/05/32/478800532.db2.gz OAYVRHRALSSTTE-MFKMUULPSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000595465478 478800534 /nfs/dbraw/zinc/80/05/34/478800534.db2.gz OAYVRHRALSSTTE-MFKMUULPSA-N 1 2 336.285 2.869 20 5 EFBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000492068622 478809859 /nfs/dbraw/zinc/80/98/59/478809859.db2.gz OQELXTCPACAZSN-UTCJRWHESA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000492068622 478809866 /nfs/dbraw/zinc/80/98/66/478809866.db2.gz OQELXTCPACAZSN-UTCJRWHESA-N 1 2 326.356 2.737 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000595485256 478815286 /nfs/dbraw/zinc/81/52/86/478815286.db2.gz WUTLXXVWPGCFKK-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000595489401 478817900 /nfs/dbraw/zinc/81/79/00/478817900.db2.gz ANNANSWERPEIOY-JQWIXIFHSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000595489401 478817903 /nfs/dbraw/zinc/81/79/03/478817903.db2.gz ANNANSWERPEIOY-JQWIXIFHSA-N 1 2 336.285 2.727 20 5 EFBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592192703 478820310 /nfs/dbraw/zinc/82/03/10/478820310.db2.gz JOTGAVHSFLDRAC-AWEZNQCLSA-N 1 2 347.415 2.591 20 5 EFBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592192703 478820320 /nfs/dbraw/zinc/82/03/20/478820320.db2.gz JOTGAVHSFLDRAC-AWEZNQCLSA-N 1 2 347.415 2.591 20 5 EFBDLO NC(=O)c1cccc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c1 ZINC000595506590 478825534 /nfs/dbraw/zinc/82/55/34/478825534.db2.gz IZOUVCWZSHZWRZ-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO NC(=O)c1cccc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c1 ZINC000595506590 478825540 /nfs/dbraw/zinc/82/55/40/478825540.db2.gz IZOUVCWZSHZWRZ-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO Cc1noc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595510590 478826868 /nfs/dbraw/zinc/82/68/68/478826868.db2.gz NKFXUAGSLNZMGX-LBPRGKRZSA-N 1 2 325.752 2.710 20 5 EFBDLO Cc1noc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595510590 478826879 /nfs/dbraw/zinc/82/68/79/478826879.db2.gz NKFXUAGSLNZMGX-LBPRGKRZSA-N 1 2 325.752 2.710 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595522197 478833492 /nfs/dbraw/zinc/83/34/92/478833492.db2.gz JHYRXJFFFQIRSF-AWEZNQCLSA-N 1 2 337.401 2.946 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598466110 478838046 /nfs/dbraw/zinc/83/80/46/478838046.db2.gz XOCVZUQQUHRTHK-OCCSQVGLSA-N 1 2 330.388 2.774 20 5 EFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)c1 ZINC000572465860 478841904 /nfs/dbraw/zinc/84/19/04/478841904.db2.gz HGRPWDJEUVPLGH-UHFFFAOYSA-N 1 2 329.337 2.944 20 5 EFBDLO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])cn4C)n3)[nH+]c12 ZINC000544633248 478854356 /nfs/dbraw/zinc/85/43/56/478854356.db2.gz MQBJBFTYWBLBPR-UHFFFAOYSA-N 1 2 338.327 2.530 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928342 478862361 /nfs/dbraw/zinc/86/23/61/478862361.db2.gz ARTPFMZKFZPRPC-STQMWFEESA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928342 478862365 /nfs/dbraw/zinc/86/23/65/478862365.db2.gz ARTPFMZKFZPRPC-STQMWFEESA-N 1 2 333.388 2.565 20 5 EFBDLO CN(C[C@@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598549470 478889875 /nfs/dbraw/zinc/88/98/75/478889875.db2.gz BIEGEKBXAYQLGJ-ZDUSSCGKSA-N 1 2 328.372 2.899 20 5 EFBDLO CC(C)Cn1nccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592497268 478915663 /nfs/dbraw/zinc/91/56/63/478915663.db2.gz YBTMWKSCGIJAAG-UHFFFAOYSA-N 1 2 343.431 2.770 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598608636 478923892 /nfs/dbraw/zinc/92/38/92/478923892.db2.gz OHJBFEQHGDBSSM-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565212393 478953265 /nfs/dbraw/zinc/95/32/65/478953265.db2.gz HZJBCTYJGKKBDM-NSHDSACASA-N 1 2 331.376 2.956 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565212393 478953267 /nfs/dbraw/zinc/95/32/67/478953267.db2.gz HZJBCTYJGKKBDM-NSHDSACASA-N 1 2 331.376 2.956 20 5 EFBDLO CCOc1cncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000598678290 478966324 /nfs/dbraw/zinc/96/63/24/478966324.db2.gz GHQMJEFWKHLYIS-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511120050 478975315 /nfs/dbraw/zinc/97/53/15/478975315.db2.gz GYPJDFYWBQQDHL-KRWDZBQOSA-N 1 2 328.368 2.983 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511120050 478975319 /nfs/dbraw/zinc/97/53/19/478975319.db2.gz GYPJDFYWBQQDHL-KRWDZBQOSA-N 1 2 328.368 2.983 20 5 EFBDLO Cn1c2ccc(CNc3ncc([N+](=O)[O-])s3)cc2[nH+]c1C1CC1 ZINC000583945223 478977924 /nfs/dbraw/zinc/97/79/24/478977924.db2.gz MKAYINNLCDCEDX-UHFFFAOYSA-N 1 2 329.385 2.849 20 5 EFBDLO O=C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595790490 479000536 /nfs/dbraw/zinc/00/05/36/479000536.db2.gz WCCVJZJAZOILNC-KRWDZBQOSA-N 1 2 347.415 2.814 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807486 479010315 /nfs/dbraw/zinc/01/03/15/479010315.db2.gz PNASKENDJDHCPB-ZDUSSCGKSA-N 1 2 345.399 2.757 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595867056 479041074 /nfs/dbraw/zinc/04/10/74/479041074.db2.gz KDLLPRLTAKTZEE-OAHLLOKOSA-N 1 2 338.310 2.705 20 5 EFBDLO Cc1cc(NC[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573468884 479075031 /nfs/dbraw/zinc/07/50/31/479075031.db2.gz UJLORHFAWMXXNB-IUODEOHRSA-N 1 2 342.399 2.867 20 5 EFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592947513 479105775 /nfs/dbraw/zinc/10/57/75/479105775.db2.gz LKEAFHSMVXWNAY-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO CCCCn1nnnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673935 479117097 /nfs/dbraw/zinc/11/70/97/479117097.db2.gz VRSNVINQFWHWIB-HNNXBMFYSA-N 1 2 344.419 2.761 20 5 EFBDLO CCCCn1nnnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673935 479117100 /nfs/dbraw/zinc/11/71/00/479117100.db2.gz VRSNVINQFWHWIB-HNNXBMFYSA-N 1 2 344.419 2.761 20 5 EFBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000599014604 479126185 /nfs/dbraw/zinc/12/61/85/479126185.db2.gz CSMTWBVDGIHGTC-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO Cc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])s1 ZINC000596079679 479126620 /nfs/dbraw/zinc/12/66/20/479126620.db2.gz VVJPYBVTEZHYLU-UHFFFAOYSA-N 1 2 336.417 2.892 20 5 EFBDLO Cc1nnc2n1C[C@@H](CNc1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599038854 479135558 /nfs/dbraw/zinc/13/55/58/479135558.db2.gz MQAJYFVFJPJHBR-GFCCVEGCSA-N 1 2 338.371 2.717 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102696 479139352 /nfs/dbraw/zinc/13/93/52/479139352.db2.gz VVDZWWSXGCVSNV-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102696 479139354 /nfs/dbraw/zinc/13/93/54/479139354.db2.gz VVDZWWSXGCVSNV-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1C[N@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102695 479139769 /nfs/dbraw/zinc/13/97/69/479139769.db2.gz VVDZWWSXGCVSNV-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102695 479139779 /nfs/dbraw/zinc/13/97/79/479139779.db2.gz VVDZWWSXGCVSNV-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054158 479145065 /nfs/dbraw/zinc/14/50/65/479145065.db2.gz BKYGHYJHVLLNLD-ZIAGYGMSSA-N 1 2 335.404 2.811 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054158 479145069 /nfs/dbraw/zinc/14/50/69/479145069.db2.gz BKYGHYJHVLLNLD-ZIAGYGMSSA-N 1 2 335.404 2.811 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055715 479146381 /nfs/dbraw/zinc/14/63/81/479146381.db2.gz NFPBJIPMEXQTFF-OAHLLOKOSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055715 479146388 /nfs/dbraw/zinc/14/63/88/479146388.db2.gz NFPBJIPMEXQTFF-OAHLLOKOSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057582 479149079 /nfs/dbraw/zinc/14/90/79/479149079.db2.gz ULGVTTKHSKTNSX-ZDUSSCGKSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593057582 479149084 /nfs/dbraw/zinc/14/90/84/479149084.db2.gz ULGVTTKHSKTNSX-ZDUSSCGKSA-N 1 2 335.404 2.731 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1 ZINC000599071285 479149954 /nfs/dbraw/zinc/14/99/54/479149954.db2.gz SOIXWSPVJRMWRA-HNNXBMFYSA-N 1 2 344.350 2.696 20 5 EFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CO1 ZINC000593059990 479150863 /nfs/dbraw/zinc/15/08/63/479150863.db2.gz URKMMMWKWYSIGU-UKRRQHHQSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CO1 ZINC000593059990 479150867 /nfs/dbraw/zinc/15/08/67/479150867.db2.gz URKMMMWKWYSIGU-UKRRQHHQSA-N 1 2 335.404 2.731 20 5 EFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596128758 479154466 /nfs/dbraw/zinc/15/44/66/479154466.db2.gz LCWFQLAOMJQPAZ-LBPRGKRZSA-N 1 2 347.806 2.921 20 5 EFBDLO Cn1c2ccccc2[nH+]c1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596146975 479164000 /nfs/dbraw/zinc/16/40/00/479164000.db2.gz JSTLAHGBOGAEBT-UHFFFAOYSA-N 1 2 327.344 2.627 20 5 EFBDLO CCc1[nH]nc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1[N+](=O)[O-] ZINC000569777769 479171263 /nfs/dbraw/zinc/17/12/63/479171263.db2.gz XFIUZJYYEHPRJA-UHFFFAOYSA-N 1 2 326.316 2.523 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@@H+]3CC(F)F)ccc2c1 ZINC000599134311 479174937 /nfs/dbraw/zinc/17/49/37/479174937.db2.gz SORVHMQGYUGBSS-CYBMUJFWSA-N 1 2 336.342 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@H+]3CC(F)F)ccc2c1 ZINC000599134311 479174942 /nfs/dbraw/zinc/17/49/42/479174942.db2.gz SORVHMQGYUGBSS-CYBMUJFWSA-N 1 2 336.342 2.706 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584566400 479176257 /nfs/dbraw/zinc/17/62/57/479176257.db2.gz ZXZCOKHWUDMBKK-CYBMUJFWSA-N 1 2 331.376 2.517 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602992774 479185406 /nfs/dbraw/zinc/18/54/06/479185406.db2.gz FTRYLTUVQRXECH-NSHDSACASA-N 1 2 339.367 2.754 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596216879 479206186 /nfs/dbraw/zinc/20/61/86/479206186.db2.gz UWNLNISBIUZDFT-OAHLLOKOSA-N 1 2 343.387 2.642 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053596 479206755 /nfs/dbraw/zinc/20/67/55/479206755.db2.gz QADRAWBLMMSQET-ZFWWWQNUSA-N 1 2 342.399 2.903 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053596 479206758 /nfs/dbraw/zinc/20/67/58/479206758.db2.gz QADRAWBLMMSQET-ZFWWWQNUSA-N 1 2 342.399 2.903 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610859637 479210899 /nfs/dbraw/zinc/21/08/99/479210899.db2.gz DNSFWUJWFMFODV-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610859637 479210909 /nfs/dbraw/zinc/21/09/09/479210909.db2.gz DNSFWUJWFMFODV-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO Cc1noc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1[N+](=O)[O-] ZINC000596263741 479230226 /nfs/dbraw/zinc/23/02/26/479230226.db2.gz FGEDVNRFPXXKBG-UHFFFAOYSA-N 1 2 327.222 2.703 20 5 EFBDLO C[N@H+](Cc1cccc(O)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610930403 479236078 /nfs/dbraw/zinc/23/60/78/479236078.db2.gz PYZVHOQYXPCIOB-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610930403 479236082 /nfs/dbraw/zinc/23/60/82/479236082.db2.gz PYZVHOQYXPCIOB-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3Cl)C2)nc1 ZINC000599325243 479254360 /nfs/dbraw/zinc/25/43/60/479254360.db2.gz BBDWXBKMAMTOJF-LLVKDONJSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3Cl)C2)nc1 ZINC000599325243 479254366 /nfs/dbraw/zinc/25/43/66/479254366.db2.gz BBDWXBKMAMTOJF-LLVKDONJSA-N 1 2 333.779 2.725 20 5 EFBDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000557491039 479283053 /nfs/dbraw/zinc/28/30/53/479283053.db2.gz FSFVJWLVJOGANS-ABAIWWIYSA-N 1 2 328.372 2.699 20 5 EFBDLO O=C(NC1(C2CCC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593307351 479286495 /nfs/dbraw/zinc/28/64/95/479286495.db2.gz NZLNMELKGGVXAQ-UHFFFAOYSA-N 1 2 326.356 2.843 20 5 EFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611195838 479307930 /nfs/dbraw/zinc/30/79/30/479307930.db2.gz WCFVRKDPQUYMCT-GFCCVEGCSA-N 1 2 339.355 2.750 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000611209032 479311167 /nfs/dbraw/zinc/31/11/67/479311167.db2.gz CLQIMMVMHLUJKI-UHFFFAOYSA-N 1 2 328.328 2.772 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000611209032 479311174 /nfs/dbraw/zinc/31/11/74/479311174.db2.gz CLQIMMVMHLUJKI-UHFFFAOYSA-N 1 2 328.328 2.772 20 5 EFBDLO Cc1cc(NC[C@H](CO)CC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596493943 479316332 /nfs/dbraw/zinc/31/63/32/479316332.db2.gz RTGGSKALJUBLEO-CQSZACIVSA-N 1 2 342.399 2.603 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000611253511 479324777 /nfs/dbraw/zinc/32/47/77/479324777.db2.gz VZVSSENYGKYQCT-UHFFFAOYSA-N 1 2 346.431 2.627 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000611263421 479328973 /nfs/dbraw/zinc/32/89/73/479328973.db2.gz CPSYSCQAUSNWQC-HOTGVXAUSA-N 1 2 339.395 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3c(cn2)OCCO3)C2CC2)cc1 ZINC000602439742 479332740 /nfs/dbraw/zinc/33/27/40/479332740.db2.gz MQNKXAKXWGXPBO-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc3c(cn2)OCCO3)C2CC2)cc1 ZINC000602439742 479332744 /nfs/dbraw/zinc/33/27/44/479332744.db2.gz MQNKXAKXWGXPBO-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO Cc1c(Br)c(N[C@@H](C)c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000596539951 479333172 /nfs/dbraw/zinc/33/31/72/479333172.db2.gz CBHVWKJAZHHSCW-QMMMGPOBSA-N 1 2 340.181 2.967 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000599582509 479339761 /nfs/dbraw/zinc/33/97/61/479339761.db2.gz MSIIJQLTRUSWRE-PWSUYJOCSA-N 1 2 339.392 2.691 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000599582509 479339764 /nfs/dbraw/zinc/33/97/64/479339764.db2.gz MSIIJQLTRUSWRE-PWSUYJOCSA-N 1 2 339.392 2.691 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599582508 479339814 /nfs/dbraw/zinc/33/98/14/479339814.db2.gz MSIIJQLTRUSWRE-JQWIXIFHSA-N 1 2 339.392 2.691 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599582508 479339818 /nfs/dbraw/zinc/33/98/18/479339818.db2.gz MSIIJQLTRUSWRE-JQWIXIFHSA-N 1 2 339.392 2.691 20 5 EFBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762464 479345952 /nfs/dbraw/zinc/34/59/52/479345952.db2.gz SBOGONREBZVGEQ-JTQLQIEISA-N 1 2 328.315 2.791 20 5 EFBDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762464 479345956 /nfs/dbraw/zinc/34/59/56/479345956.db2.gz SBOGONREBZVGEQ-JTQLQIEISA-N 1 2 328.315 2.791 20 5 EFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000593450167 479346244 /nfs/dbraw/zinc/34/62/44/479346244.db2.gz GAPRXRJPFFCOJT-UHFFFAOYSA-N 1 2 346.362 2.680 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574768210 479346638 /nfs/dbraw/zinc/34/66/38/479346638.db2.gz IOHWTELLEAUIAB-ZDUSSCGKSA-N 1 2 330.388 2.934 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574768210 479346642 /nfs/dbraw/zinc/34/66/42/479346642.db2.gz IOHWTELLEAUIAB-ZDUSSCGKSA-N 1 2 330.388 2.934 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574768209 479346816 /nfs/dbraw/zinc/34/68/16/479346816.db2.gz IOHWTELLEAUIAB-CYBMUJFWSA-N 1 2 330.388 2.934 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574768209 479346824 /nfs/dbraw/zinc/34/68/24/479346824.db2.gz IOHWTELLEAUIAB-CYBMUJFWSA-N 1 2 330.388 2.934 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@]2(CO)CCc3ccccc32)c(F)c1 ZINC000586767921 479348534 /nfs/dbraw/zinc/34/85/34/479348534.db2.gz YNMQRMWINVFLBZ-KRWDZBQOSA-N 1 2 334.322 2.797 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000586773392 479349097 /nfs/dbraw/zinc/34/90/97/479349097.db2.gz NJNSBBOMGGXLBF-UHFFFAOYSA-N 1 2 338.367 2.918 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000586773392 479349103 /nfs/dbraw/zinc/34/91/03/479349103.db2.gz NJNSBBOMGGXLBF-UHFFFAOYSA-N 1 2 338.367 2.918 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCC3)CC2)cc1 ZINC000586783061 479353224 /nfs/dbraw/zinc/35/32/24/479353224.db2.gz QHUXRONQFATALA-UHFFFAOYSA-N 1 2 338.429 2.635 20 5 EFBDLO C[N@H+](CCn1cccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602476078 479355887 /nfs/dbraw/zinc/35/58/87/479355887.db2.gz VVUBNGGIVDXKED-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO C[N@@H+](CCn1cccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602476078 479355893 /nfs/dbraw/zinc/35/58/93/479355893.db2.gz VVUBNGGIVDXKED-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599621848 479355978 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O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135633470 527332898 /nfs/dbraw/zinc/33/28/98/527332898.db2.gz ISCVSZSPGYVVQY-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)o2)c1 ZINC000195014993 527381961 /nfs/dbraw/zinc/38/19/61/527381961.db2.gz GYHQXDCSGDJOSE-GOSISDBHSA-N 1 2 344.367 2.846 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)o2)c1 ZINC000195014993 527381969 /nfs/dbraw/zinc/38/19/69/527381969.db2.gz GYHQXDCSGDJOSE-GOSISDBHSA-N 1 2 344.367 2.846 20 5 EFBDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078518574 527512980 /nfs/dbraw/zinc/51/29/80/527512980.db2.gz IXFNLYKXMYOGRM-UHFFFAOYSA-N 1 2 346.431 2.755 20 5 EFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180684304 527521783 /nfs/dbraw/zinc/52/17/83/527521783.db2.gz MIRRTVOJXTZQDI-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO CC1CCN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130901198 528219492 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EFBDLO CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347998209 535800407 /nfs/dbraw/zinc/80/04/07/535800407.db2.gz ZEITVRVLTWTDPR-CYBMUJFWSA-N 1 2 343.387 2.799 20 5 EFBDLO CCc1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000346195196 536037483 /nfs/dbraw/zinc/03/74/83/536037483.db2.gz HJEWVLJAAVAWHJ-LLVKDONJSA-N 1 2 333.417 2.695 20 5 EFBDLO CCc1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000346195196 536037487 /nfs/dbraw/zinc/03/74/87/536037487.db2.gz HJEWVLJAAVAWHJ-LLVKDONJSA-N 1 2 333.417 2.695 20 5 EFBDLO COc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000414501146 536893986 /nfs/dbraw/zinc/89/39/86/536893986.db2.gz DHORSZZXDOSPBS-UHFFFAOYSA-N 1 2 342.277 2.702 20 5 EFBDLO O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424974854 546219096 /nfs/dbraw/zinc/21/90/96/546219096.db2.gz BFQCQRZEQNLPAP-UONOGXRCSA-N 1 2 326.356 2.699 20 5 EFBDLO O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 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C[NH+]1CCC(Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)CC1 ZINC001227307288 1311791570 /nfs/dbraw/zinc/79/15/70/1311791570.db2.gz VBCGOKSNTJNZBV-UHFFFAOYSA-N 1 2 341.363 2.830 20 5 EFBDLO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1C(=O)c1ccc(O)cc1O ZINC001228123483 1311903646 /nfs/dbraw/zinc/90/36/46/1311903646.db2.gz TYKYWBIUZCXSQL-GFCCVEGCSA-O 1 2 346.403 2.508 20 5 EFBDLO Cc1nc(Cl)nc(NCc2c[nH+]cn2CC2CCC2)c1[N+](=O)[O-] ZINC001161529339 1311908179 /nfs/dbraw/zinc/90/81/79/1311908179.db2.gz HQQUNNLQYJPIHR-UHFFFAOYSA-N 1 2 336.783 2.955 20 5 EFBDLO CC(C)[N@@H+]1CCC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228858084 1312010678 /nfs/dbraw/zinc/01/06/78/1312010678.db2.gz CFLNNCROPYGWMH-SECBINFHSA-N 1 2 349.309 2.966 20 5 EFBDLO CC(C)[N@H+]1CCC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228858084 1312010681 /nfs/dbraw/zinc/01/06/81/1312010681.db2.gz CFLNNCROPYGWMH-SECBINFHSA-N 1 2 349.309 2.966 20 5 EFBDLO CC(C)[N@@H+]1CC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228860300 1312010858 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2.969 20 5 EFBDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001162877494 1312195045 /nfs/dbraw/zinc/19/50/45/1312195045.db2.gz HFDNOOOVBUTHBJ-CYBMUJFWSA-N 1 2 342.827 2.802 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903066065 1312321218 /nfs/dbraw/zinc/32/12/18/1312321218.db2.gz SXKSBYAZIXTVSL-ABAIWWIYSA-N 1 2 333.392 2.780 20 5 EFBDLO C[N@@H+]1CCO[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941090 1312397328 /nfs/dbraw/zinc/39/73/28/1312397328.db2.gz KULKHOIXTRNDCZ-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941090 1312397330 /nfs/dbraw/zinc/39/73/30/1312397330.db2.gz KULKHOIXTRNDCZ-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001164312028 1312490534 /nfs/dbraw/zinc/49/05/34/1312490534.db2.gz KCVSOYILUKGLEK-RDJZCZTQSA-N 1 2 341.367 2.577 20 5 EFBDLO O=C1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]2CCCN12 ZINC001232223169 1312651805 /nfs/dbraw/zinc/65/18/05/1312651805.db2.gz KYTWCZHJENELEW-QGZVFWFLSA-N 1 2 332.407 2.590 20 5 EFBDLO O=C1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]2CCCN12 ZINC001232223169 1312651807 /nfs/dbraw/zinc/65/18/07/1312651807.db2.gz KYTWCZHJENELEW-QGZVFWFLSA-N 1 2 332.407 2.590 20 5 EFBDLO COc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC001248460729 1314937345 /nfs/dbraw/zinc/93/73/45/1314937345.db2.gz CAHJSIMIIOMVMM-UHFFFAOYSA-N 1 2 330.344 2.579 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218012291 1315133697 /nfs/dbraw/zinc/13/36/97/1315133697.db2.gz NXJDFWXFRHMDRL-OAHLLOKOSA-N 1 2 341.358 2.961 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[NH2+]1 ZINC001218172768 1315158334 /nfs/dbraw/zinc/15/83/34/1315158334.db2.gz NLIDHYYIRCFHBP-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CC2(F)F)c2ccccc21 ZINC001218236097 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O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@H]1c1cccnc1)C2 ZINC001254606859 1315730418 /nfs/dbraw/zinc/73/04/18/1315730418.db2.gz IRMKPYUQBCXTMQ-ROUUACIJSA-N 1 2 325.368 2.531 20 5 EFBDLO C[N@H+](CC(=O)OCc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606584 1315730546 /nfs/dbraw/zinc/73/05/46/1315730546.db2.gz GPWIEAKYIULZPS-SFHVURJKSA-N 1 2 340.379 2.737 20 5 EFBDLO C[N@@H+](CC(=O)OCc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606584 1315730549 /nfs/dbraw/zinc/73/05/49/1315730549.db2.gz GPWIEAKYIULZPS-SFHVURJKSA-N 1 2 340.379 2.737 20 5 EFBDLO C[C@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133269890 1316025590 /nfs/dbraw/zinc/02/55/90/1316025590.db2.gz FDXYOYDHFPWQFD-STQMWFEESA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133269890 1316025592 /nfs/dbraw/zinc/02/55/92/1316025592.db2.gz FDXYOYDHFPWQFD-STQMWFEESA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@H](C)[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133269705 1316025615 /nfs/dbraw/zinc/02/56/15/1316025615.db2.gz FDXYOYDHFPWQFD-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133269705 1316025616 /nfs/dbraw/zinc/02/56/16/1316025616.db2.gz FDXYOYDHFPWQFD-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2noc(-c3cccs3)n2)cc1 ZINC001262557649 1316472067 /nfs/dbraw/zinc/47/20/67/1316472067.db2.gz IBGQJPWPIHLINK-LBPRGKRZSA-N 1 2 346.368 2.530 20 5 EFBDLO Cc1nn(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(C)c1[N+](=O)[O-] ZINC001319927993 1329038188 /nfs/dbraw/zinc/03/81/88/1329038188.db2.gz MPMMBPLINMJAAV-UHFFFAOYSA-N 1 2 338.799 2.553 20 5 EFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC001331220015 1330807062 /nfs/dbraw/zinc/80/70/62/1330807062.db2.gz AVZQBPZEFZDBGR-OAHLLOKOSA-N 1 2 344.415 2.656 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001331904192 1330888571 /nfs/dbraw/zinc/88/85/71/1330888571.db2.gz LIUURLJZFFZRMB-UHFFFAOYSA-N 1 2 328.372 2.941 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001332695011 1331003907 /nfs/dbraw/zinc/00/39/07/1331003907.db2.gz JLGAZLUECBHLKB-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001332695011 1331003909 /nfs/dbraw/zinc/00/39/09/1331003909.db2.gz JLGAZLUECBHLKB-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CCOCc1ccccc1)C2 ZINC001333833495 1331222945 /nfs/dbraw/zinc/22/29/45/1331222945.db2.gz KTQRSIULBLYROU-IBGZPJMESA-N 1 2 342.395 2.878 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CCOCc1ccccc1)C2 ZINC001333833495 1331222948 /nfs/dbraw/zinc/22/29/48/1331222948.db2.gz KTQRSIULBLYROU-IBGZPJMESA-N 1 2 342.395 2.878 20 5 EFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001337680949 1331591912 /nfs/dbraw/zinc/59/19/12/1331591912.db2.gz YHEDTJNWPAUYGF-CYBMUJFWSA-N 1 2 346.318 2.814 20 5 EFBDLO CNc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001343601642 1332361631 /nfs/dbraw/zinc/36/16/31/1332361631.db2.gz MMQDEDGUSDYFEZ-UHFFFAOYSA-N 1 2 344.371 2.569 20 5 EFBDLO Cc1c(CC(=O)OCCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC001344818687 1332485376 /nfs/dbraw/zinc/48/53/76/1332485376.db2.gz APSUARMKFMLDDG-UHFFFAOYSA-N 1 2 343.383 2.764 20 5 EFBDLO COc1cc(C(=O)OCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001346112292 1332600354 /nfs/dbraw/zinc/60/03/54/1332600354.db2.gz QWNVGUHRVMBSPE-UHFFFAOYSA-N 1 2 345.355 2.536 20 5 EFBDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001347150109 1332720472 /nfs/dbraw/zinc/72/04/72/1332720472.db2.gz XHRZXKGWUDUKRK-HNNXBMFYSA-N 1 2 342.399 2.667 20 5 EFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)OCCCc1c[nH+]cn1C ZINC001348636965 1332855599 /nfs/dbraw/zinc/85/55/99/1332855599.db2.gz AOOJWJCOEBJRNW-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356498370 1335044506 /nfs/dbraw/zinc/04/45/06/1335044506.db2.gz DJYPTRNEODTPAZ-NSHDSACASA-N 1 2 346.353 2.661 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804808619 713476994 /nfs/dbraw/zinc/47/69/94/713476994.db2.gz KGDFVBSLBXDUDU-WCQYABFASA-N 1 2 348.428 2.504 20 5 EFBDLO O=C(OCC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177908787 714461259 /nfs/dbraw/zinc/46/12/59/714461259.db2.gz JOWHHDONAVOEIA-ZDUSSCGKSA-N 1 2 331.328 2.506 20 5 EFBDLO CCOc1cc(CN2CCc3c([nH+]cn3CC)C2)ccc1[N+](=O)[O-] ZINC000933254735 714574387 /nfs/dbraw/zinc/57/43/87/714574387.db2.gz SONLDXPDRMFBNY-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO Cc1cc(F)ncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000891462091 714767527 /nfs/dbraw/zinc/76/75/27/714767527.db2.gz PFJUKFZQQRNBKR-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO COc1c(O)ccc(C[NH+]2CCN(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000892120833 715263053 /nfs/dbraw/zinc/26/30/53/715263053.db2.gz JWPXCXRESSYCIR-UHFFFAOYSA-N 1 2 349.412 2.693 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176646292 715284576 /nfs/dbraw/zinc/28/45/76/715284576.db2.gz BJJNBNBRROVNAQ-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000051504449 715363056 /nfs/dbraw/zinc/36/30/56/715363056.db2.gz WRFRKLKDMOUYPT-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000051504449 715363060 /nfs/dbraw/zinc/36/30/60/715363060.db2.gz WRFRKLKDMOUYPT-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000026900102 715539986 /nfs/dbraw/zinc/53/99/86/715539986.db2.gz UTJVTHVBHQKOPD-SFHVURJKSA-N 1 2 345.374 2.590 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000980665144 717565836 /nfs/dbraw/zinc/56/58/36/717565836.db2.gz DKGRUVNMZHWCOC-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000980665144 717565840 /nfs/dbraw/zinc/56/58/40/717565840.db2.gz DKGRUVNMZHWCOC-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)co1 ZINC000981042716 718090412 /nfs/dbraw/zinc/09/04/12/718090412.db2.gz TUPLQCWCTDZZHK-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)co1 ZINC000981042716 718090416 /nfs/dbraw/zinc/09/04/16/718090416.db2.gz TUPLQCWCTDZZHK-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO O=C(N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(F)CCCC1 ZINC000981510659 718772327 /nfs/dbraw/zinc/77/23/27/718772327.db2.gz VQJHRRCHORHXFK-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO O=C(N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(F)CCCC1 ZINC000981510659 718772331 /nfs/dbraw/zinc/77/23/31/718772331.db2.gz VQJHRRCHORHXFK-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981770871 719029673 /nfs/dbraw/zinc/02/96/73/719029673.db2.gz ZPEKYVSRSVICMJ-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981770871 719029676 /nfs/dbraw/zinc/02/96/76/719029676.db2.gz ZPEKYVSRSVICMJ-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1cc([N+](=O)[O-])cnc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000892772000 719151489 /nfs/dbraw/zinc/15/14/89/719151489.db2.gz OMDDJZMTABLQKR-UHFFFAOYSA-N 1 2 327.344 2.609 20 5 EFBDLO O=C(Nc1ccc(F)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178594002 719877942 /nfs/dbraw/zinc/87/79/42/719877942.db2.gz QOVWGYCRIJAARC-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO CCOc1cc(N2CC[NH+](Cc3ocnc3C)CC2)ccc1[N+](=O)[O-] ZINC000894614771 722797252 /nfs/dbraw/zinc/79/72/52/722797252.db2.gz YFUKWVCDAMBMED-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029196224 723058147 /nfs/dbraw/zinc/05/81/47/723058147.db2.gz VVBNOGZHWPNQEZ-IYBDPMFKSA-N 1 2 329.400 2.736 20 5 EFBDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029196224 723058149 /nfs/dbraw/zinc/05/81/49/723058149.db2.gz VVBNOGZHWPNQEZ-IYBDPMFKSA-N 1 2 329.400 2.736 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000896009932 723092769 /nfs/dbraw/zinc/09/27/69/723092769.db2.gz NWMOVPGJLISRIP-UHFFFAOYSA-N 1 2 328.372 2.885 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001029467140 723142014 /nfs/dbraw/zinc/14/20/14/723142014.db2.gz AJKOHUYWBPPORW-IYBDPMFKSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001029467140 723142015 /nfs/dbraw/zinc/14/20/15/723142015.db2.gz AJKOHUYWBPPORW-IYBDPMFKSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(/C=C\C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029253430 723182065 /nfs/dbraw/zinc/18/20/65/723182065.db2.gz NGQJGELOKAWBEM-WPIRLOTFSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(/C=C\C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029253430 723182066 /nfs/dbraw/zinc/18/20/66/723182066.db2.gz NGQJGELOKAWBEM-WPIRLOTFSA-N 1 2 341.411 2.736 20 5 EFBDLO COc1c(O)ccc(C[NH2+]Cc2nc3c(s2)CCC3)c1[N+](=O)[O-] ZINC000896287225 723235893 /nfs/dbraw/zinc/23/58/93/723235893.db2.gz CMUJQPXXTFERFR-UHFFFAOYSA-N 1 2 335.385 2.544 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029317766 723341333 /nfs/dbraw/zinc/34/13/33/723341333.db2.gz NAHXHJMZEZTIRM-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029317766 723341337 /nfs/dbraw/zinc/34/13/37/723341337.db2.gz NAHXHJMZEZTIRM-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029394895 723804929 /nfs/dbraw/zinc/80/49/29/723804929.db2.gz AIZPZESWKRKABN-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029394895 723804932 /nfs/dbraw/zinc/80/49/32/723804932.db2.gz AIZPZESWKRKABN-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@H]2C2CCC2)cc1Br ZINC000728197291 723844071 /nfs/dbraw/zinc/84/40/71/723844071.db2.gz UATGYXBMPKHJMZ-NSHDSACASA-N 1 2 329.198 2.776 20 5 EFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@H]2C2CCC2)cc1Br ZINC000728197291 723844072 /nfs/dbraw/zinc/84/40/72/723844072.db2.gz UATGYXBMPKHJMZ-NSHDSACASA-N 1 2 329.198 2.776 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001029423992 724037392 /nfs/dbraw/zinc/03/73/92/724037392.db2.gz MQIJKZIKWAJUQP-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001029423992 724037394 /nfs/dbraw/zinc/03/73/94/724037394.db2.gz MQIJKZIKWAJUQP-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728543285 724084709 /nfs/dbraw/zinc/08/47/09/724084709.db2.gz UVQPXWWIBUJPRM-WHWKNOJMSA-N 1 2 326.356 2.668 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728560996 724095639 /nfs/dbraw/zinc/09/56/39/724095639.db2.gz XBKLLOIKHKOCAK-KRWDZBQOSA-N 1 2 340.383 2.650 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728560996 724095643 /nfs/dbraw/zinc/09/56/43/724095643.db2.gz XBKLLOIKHKOCAK-KRWDZBQOSA-N 1 2 340.383 2.650 20 5 EFBDLO Cc1c(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000152269294 725984715 /nfs/dbraw/zinc/98/47/15/725984715.db2.gz CZXCVYBOHYQGAB-UHFFFAOYSA-N 1 2 328.434 2.548 20 5 EFBDLO Cc1c(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000152269294 725984716 /nfs/dbraw/zinc/98/47/16/725984716.db2.gz CZXCVYBOHYQGAB-UHFFFAOYSA-N 1 2 328.434 2.548 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCc2sccc2C1 ZINC000730458763 726136482 /nfs/dbraw/zinc/13/64/82/726136482.db2.gz SQTBHDBHWRXSBA-UHFFFAOYSA-N 1 2 345.380 2.970 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCc2sccc2C1 ZINC000730458763 726136485 /nfs/dbraw/zinc/13/64/85/726136485.db2.gz SQTBHDBHWRXSBA-UHFFFAOYSA-N 1 2 345.380 2.970 20 5 EFBDLO CN(C)c1cc(COC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000910028049 727404532 /nfs/dbraw/zinc/40/45/32/727404532.db2.gz PFSINOPGYLXOPN-CVEARBPZSA-N 1 2 341.367 2.903 20 5 EFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910783923 727463333 /nfs/dbraw/zinc/46/33/33/727463333.db2.gz NOJXIDCQXLITNI-UHFFFAOYSA-N 1 2 343.408 2.757 20 5 EFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910783923 727463334 /nfs/dbraw/zinc/46/33/34/727463334.db2.gz NOJXIDCQXLITNI-UHFFFAOYSA-N 1 2 343.408 2.757 20 5 EFBDLO CN(C[Si](C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000911730657 727593593 /nfs/dbraw/zinc/59/35/93/727593593.db2.gz JJJIUKYONKKAFK-UHFFFAOYSA-N 1 2 332.436 2.730 20 5 EFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653968 727732982 /nfs/dbraw/zinc/73/29/82/727732982.db2.gz XYFAZPIZVPZOQK-HUUCEWRRSA-N 1 2 340.383 2.801 20 5 EFBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156433218 727917399 /nfs/dbraw/zinc/91/73/99/727917399.db2.gz SNGVISDNTUWTQC-CABCVRRESA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156433218 727917401 /nfs/dbraw/zinc/91/74/01/727917401.db2.gz SNGVISDNTUWTQC-CABCVRRESA-N 1 2 349.387 2.596 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145892 728090163 /nfs/dbraw/zinc/09/01/63/728090163.db2.gz BLDINQCUMNPCPL-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145892 728090168 /nfs/dbraw/zinc/09/01/68/728090168.db2.gz BLDINQCUMNPCPL-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000172926798 728610710 /nfs/dbraw/zinc/61/07/10/728610710.db2.gz UXRYKZGIBWVUHD-LBPRGKRZSA-N 1 2 339.351 2.907 20 5 EFBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000172926798 728610712 /nfs/dbraw/zinc/61/07/12/728610712.db2.gz UXRYKZGIBWVUHD-LBPRGKRZSA-N 1 2 339.351 2.907 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000919955606 729116220 /nfs/dbraw/zinc/11/62/20/729116220.db2.gz WSDMZPDLPUNARH-CQSZACIVSA-N 1 2 340.339 2.692 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000919955606 729116221 /nfs/dbraw/zinc/11/62/21/729116221.db2.gz WSDMZPDLPUNARH-CQSZACIVSA-N 1 2 340.339 2.692 20 5 EFBDLO C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001576179206 1088980658 /nfs/dbraw/zinc/98/06/58/1088980658.db2.gz AVKNNCSEXJJYCS-PSLIRLAXSA-N 1 2 335.310 2.750 20 5 EFBDLO Nc1cc(CNc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)cc[nH+]1 ZINC001167617882 1093116662 /nfs/dbraw/zinc/11/66/62/1093116662.db2.gz ZWYKNLUPMFGROY-UHFFFAOYSA-N 1 2 338.327 2.766 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+](Cc1ccoc1)C1CC1 ZINC001607084012 1097510498 /nfs/dbraw/zinc/51/04/98/1097510498.db2.gz QIHDBXVNJODXDN-UHFFFAOYSA-N 1 2 340.343 2.533 20 5 EFBDLO CCOC(=O)c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001167995170 1099757547 /nfs/dbraw/zinc/75/75/47/1099757547.db2.gz VFFAVISEWZMZOH-UHFFFAOYSA-N 1 2 346.318 2.942 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000843774470 1099938049 /nfs/dbraw/zinc/93/80/49/1099938049.db2.gz VKOXAIUMPYPBBW-UHFFFAOYSA-N 1 2 343.358 2.788 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1C ZINC000843780853 1100570770 /nfs/dbraw/zinc/57/07/70/1100570770.db2.gz SEVCZXSZQUZMSB-UHFFFAOYSA-N 1 2 347.346 2.993 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319649 1101725722 /nfs/dbraw/zinc/72/57/22/1101725722.db2.gz XJOFEIGZIYSMAD-UHFFFAOYSA-N 1 2 340.170 2.992 20 5 EFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000077221042 1103132562 /nfs/dbraw/zinc/13/25/62/1103132562.db2.gz ORXJZVNMESRERD-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677411 1103747149 /nfs/dbraw/zinc/74/71/49/1103747149.db2.gz LWISMSILRGZGOK-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677411 1103747156 /nfs/dbraw/zinc/74/71/56/1103747156.db2.gz LWISMSILRGZGOK-SNVBAGLBSA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000300485922 1105216278 /nfs/dbraw/zinc/21/62/78/1105216278.db2.gz CGPNCCUVDOBVTK-BXKDBHETSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000300485922 1105216280 /nfs/dbraw/zinc/21/62/80/1105216280.db2.gz CGPNCCUVDOBVTK-BXKDBHETSA-N 1 2 329.194 2.560 20 5 EFBDLO O=C(OCCOC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000918517610 1112139343 /nfs/dbraw/zinc/13/93/43/1112139343.db2.gz ZUFYUNOCTGENIR-UHFFFAOYSA-N 1 2 345.355 2.897 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(F)c1 ZINC000027348887 202154048 /nfs/dbraw/zinc/15/40/48/202154048.db2.gz YXGLXOQOXRUIOR-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(F)c1 ZINC000027348887 202154052 /nfs/dbraw/zinc/15/40/52/202154052.db2.gz YXGLXOQOXRUIOR-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO O=c1ccc([N+](=O)[O-])cn1Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC000060333883 201145282 /nfs/dbraw/zinc/14/52/82/201145282.db2.gz VPALJSOTDXBLGT-UHFFFAOYSA-N 1 2 339.138 2.759 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000067523211 201161493 /nfs/dbraw/zinc/16/14/93/201161493.db2.gz IWZQAHGZUOVLFI-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000268533348 201228015 /nfs/dbraw/zinc/22/80/15/201228015.db2.gz IVSASHNAVDWTSK-CYBMUJFWSA-N 1 2 336.388 2.910 20 5 EFBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000268533348 201228019 /nfs/dbraw/zinc/22/80/19/201228019.db2.gz IVSASHNAVDWTSK-CYBMUJFWSA-N 1 2 336.388 2.910 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000176346362 239315894 /nfs/dbraw/zinc/31/58/94/239315894.db2.gz PXELTFJHJIDBPL-UHFFFAOYSA-N 1 2 338.367 2.800 20 5 EFBDLO C[C@@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000177390120 239371944 /nfs/dbraw/zinc/37/19/44/239371944.db2.gz IFQGGZXLOQHGBD-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000193241256 240073983 /nfs/dbraw/zinc/07/39/83/240073983.db2.gz MSBLMIBADKVZDC-CYBMUJFWSA-N 1 2 340.445 2.863 20 5 EFBDLO Cn1nnc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)n1 ZINC000193046949 240081265 /nfs/dbraw/zinc/08/12/65/240081265.db2.gz RFFDEXROVXMAEH-UHFFFAOYSA-N 1 2 347.407 2.852 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000194038066 240136079 /nfs/dbraw/zinc/13/60/79/240136079.db2.gz WZWHAOQSPIUPAC-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cn21 ZINC000209955082 241075694 /nfs/dbraw/zinc/07/56/94/241075694.db2.gz DIYRXSANDYMBND-YFHOEESVSA-N 1 2 336.351 2.881 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1occc1C ZINC000412025146 243076223 /nfs/dbraw/zinc/07/62/23/243076223.db2.gz HTIWLXGYOZLJDC-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1occc1C ZINC000412025146 243076231 /nfs/dbraw/zinc/07/62/31/243076231.db2.gz HTIWLXGYOZLJDC-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1occc1C ZINC000412027090 243078256 /nfs/dbraw/zinc/07/82/56/243078256.db2.gz NUYQWFRWCZAVOC-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1occc1C ZINC000412027090 243078262 /nfs/dbraw/zinc/07/82/62/243078262.db2.gz NUYQWFRWCZAVOC-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000412032723 243080728 /nfs/dbraw/zinc/08/07/28/243080728.db2.gz REGDSTFKIQDPJD-CYBMUJFWSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000412032723 243080735 /nfs/dbraw/zinc/08/07/35/243080735.db2.gz REGDSTFKIQDPJD-CYBMUJFWSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000412032723 243080742 /nfs/dbraw/zinc/08/07/42/243080742.db2.gz REGDSTFKIQDPJD-CYBMUJFWSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000412032723 243080747 /nfs/dbraw/zinc/08/07/47/243080747.db2.gz REGDSTFKIQDPJD-CYBMUJFWSA-N 1 2 345.403 2.798 20 5 EFBDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412063902 243108117 /nfs/dbraw/zinc/10/81/17/243108117.db2.gz JNICMJCKPUUZRL-OAHLLOKOSA-N 1 2 328.315 2.648 20 5 EFBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412063902 243108126 /nfs/dbraw/zinc/10/81/26/243108126.db2.gz JNICMJCKPUUZRL-OAHLLOKOSA-N 1 2 328.315 2.648 20 5 EFBDLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412361739 243286749 /nfs/dbraw/zinc/28/67/49/243286749.db2.gz ACCUXDNROHKAND-UONOGXRCSA-N 1 2 326.356 2.870 20 5 EFBDLO CCc1cc(NCCC[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000069739071 203043596 /nfs/dbraw/zinc/04/35/96/203043596.db2.gz JDNDZEFDWYIBJE-DEOSSOPVSA-N 1 2 348.428 2.795 20 5 EFBDLO Cc1nn(C)c(NCCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000071890233 203139238 /nfs/dbraw/zinc/13/92/38/203139238.db2.gz VTRMZOKXKLNHLV-UHFFFAOYSA-N 1 2 328.376 2.797 20 5 EFBDLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000072802309 203245316 /nfs/dbraw/zinc/24/53/16/203245316.db2.gz VSNGWFWLZDENIP-UHFFFAOYSA-N 1 2 331.294 2.808 20 5 EFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072978670 203252984 /nfs/dbraw/zinc/25/29/84/203252984.db2.gz NKSLXHFDSXSUMD-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072978670 203252988 /nfs/dbraw/zinc/25/29/88/203252988.db2.gz NKSLXHFDSXSUMD-HNNXBMFYSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076494324 203354556 /nfs/dbraw/zinc/35/45/56/203354556.db2.gz AAZQESPBMHULGA-ZDUSSCGKSA-N 1 2 329.356 2.534 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076494324 203354559 /nfs/dbraw/zinc/35/45/59/203354559.db2.gz AAZQESPBMHULGA-ZDUSSCGKSA-N 1 2 329.356 2.534 20 5 EFBDLO COC(=O)c1cccc(OCc2cc(OC)cc(C)[nH+]2)c1[N+](=O)[O-] ZINC000419108839 245343586 /nfs/dbraw/zinc/34/35/86/245343586.db2.gz GODZENRLIQZUGU-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419360890 245388701 /nfs/dbraw/zinc/38/87/01/245388701.db2.gz ACOYQWYWPVRXCM-HNNXBMFYSA-N 1 2 335.429 2.751 20 5 EFBDLO O=C(C[N@H+]1CCSC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419360890 245388707 /nfs/dbraw/zinc/38/87/07/245388707.db2.gz ACOYQWYWPVRXCM-HNNXBMFYSA-N 1 2 335.429 2.751 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000127941492 205125151 /nfs/dbraw/zinc/12/51/51/205125151.db2.gz UNTSHPNKJWDFOZ-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127941492 205125154 /nfs/dbraw/zinc/12/51/54/205125154.db2.gz UNTSHPNKJWDFOZ-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1 ZINC000130904974 205263723 /nfs/dbraw/zinc/26/37/23/205263723.db2.gz XMHUBKTWASMNTA-UHFFFAOYSA-N 1 2 339.395 2.876 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1 ZINC000130904974 205263727 /nfs/dbraw/zinc/26/37/27/205263727.db2.gz XMHUBKTWASMNTA-UHFFFAOYSA-N 1 2 339.395 2.876 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111277372 220130909 /nfs/dbraw/zinc/13/09/09/220130909.db2.gz VHQNGTGRAIYBOC-SMDDNHRTSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111277372 220130910 /nfs/dbraw/zinc/13/09/10/220130910.db2.gz VHQNGTGRAIYBOC-SMDDNHRTSA-N 1 2 332.360 2.644 20 5 EFBDLO Cc1csc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000133838108 205380382 /nfs/dbraw/zinc/38/03/82/205380382.db2.gz BIBZZKBPZKEDSV-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000421552767 246015448 /nfs/dbraw/zinc/01/54/48/246015448.db2.gz CBWQPRBQWPECOT-UHFFFAOYSA-N 1 2 345.355 2.554 20 5 EFBDLO CSC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157527776 206142541 /nfs/dbraw/zinc/14/25/41/206142541.db2.gz GCIYDOZXIRBIMG-ZDUSSCGKSA-N 1 2 346.412 2.748 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000157740646 206154813 /nfs/dbraw/zinc/15/48/13/206154813.db2.gz AJKQNKWQLPPYQG-OAHLLOKOSA-N 1 2 336.779 2.518 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000157740646 206154818 /nfs/dbraw/zinc/15/48/18/206154818.db2.gz AJKQNKWQLPPYQG-OAHLLOKOSA-N 1 2 336.779 2.518 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000426079739 247233367 /nfs/dbraw/zinc/23/33/67/247233367.db2.gz OKUBIADBKYEKME-VIFPVBQESA-N 1 2 335.751 2.581 20 5 EFBDLO Cc1ccnc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000265196264 247289130 /nfs/dbraw/zinc/28/91/30/247289130.db2.gz LYOIXJQQQFGHOD-ZDUSSCGKSA-N 1 2 343.387 2.530 20 5 EFBDLO Cc1[nH]c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c[nH+]1 ZINC000427603540 247369879 /nfs/dbraw/zinc/36/98/79/247369879.db2.gz VHZOCQVLQXCFAU-UHFFFAOYSA-N 1 2 328.250 2.575 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000241465970 296240237 /nfs/dbraw/zinc/24/02/37/296240237.db2.gz NTOQFQOHKYASIZ-GWCFXTLKSA-N 1 2 345.321 2.751 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000241465970 296240240 /nfs/dbraw/zinc/24/02/40/296240240.db2.gz NTOQFQOHKYASIZ-GWCFXTLKSA-N 1 2 345.321 2.751 20 5 EFBDLO CCCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160765846 206313085 /nfs/dbraw/zinc/31/30/85/206313085.db2.gz MKLIIYMRWWPBCS-OAHLLOKOSA-N 1 2 340.445 2.692 20 5 EFBDLO CCCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160765846 206313088 /nfs/dbraw/zinc/31/30/88/206313088.db2.gz MKLIIYMRWWPBCS-OAHLLOKOSA-N 1 2 340.445 2.692 20 5 EFBDLO Cc1c(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000162337706 206396155 /nfs/dbraw/zinc/39/61/55/206396155.db2.gz OLNLIWVEHPLFBK-UHFFFAOYSA-N 1 2 346.412 2.529 20 5 EFBDLO Cc1c(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000162337706 206396161 /nfs/dbraw/zinc/39/61/61/206396161.db2.gz OLNLIWVEHPLFBK-UHFFFAOYSA-N 1 2 346.412 2.529 20 5 EFBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000433802095 248090283 /nfs/dbraw/zinc/09/02/83/248090283.db2.gz NZOHDUUYVSWCEA-UHFFFAOYSA-N 1 2 345.321 2.890 20 5 EFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000435189569 248217286 /nfs/dbraw/zinc/21/72/86/248217286.db2.gz VAWWEPSTKIGVGZ-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266547815 248354697 /nfs/dbraw/zinc/35/46/97/248354697.db2.gz SEDMNZMSAZZAIG-STQMWFEESA-N 1 2 345.403 2.726 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436104795 249466281 /nfs/dbraw/zinc/46/62/81/249466281.db2.gz CFRCTDSJFNTAHO-CYBMUJFWSA-N 1 2 346.390 2.696 20 5 EFBDLO COc1ccc(OCC[N@H+](C)Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC000441284883 250015581 /nfs/dbraw/zinc/01/55/81/250015581.db2.gz DJKBTWKNPMPNQG-UHFFFAOYSA-N 1 2 337.401 2.879 20 5 EFBDLO COc1ccc(OCC[N@@H+](C)Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC000441284883 250015584 /nfs/dbraw/zinc/01/55/84/250015584.db2.gz DJKBTWKNPMPNQG-UHFFFAOYSA-N 1 2 337.401 2.879 20 5 EFBDLO CC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000442790492 250117302 /nfs/dbraw/zinc/11/73/02/250117302.db2.gz GXYWFSQHUTWEMD-CYBMUJFWSA-N 1 2 327.344 2.609 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444008766 250248848 /nfs/dbraw/zinc/24/88/48/250248848.db2.gz KEZXNADXUHKXBF-UHFFFAOYSA-N 1 2 332.363 2.677 20 5 EFBDLO CN1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc21 ZINC000444605444 250316537 /nfs/dbraw/zinc/31/65/37/250316537.db2.gz DSFYIOHIOFURLN-UHFFFAOYSA-N 1 2 337.383 2.923 20 5 EFBDLO CN1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc21 ZINC000444605444 250316541 /nfs/dbraw/zinc/31/65/41/250316541.db2.gz DSFYIOHIOFURLN-UHFFFAOYSA-N 1 2 337.383 2.923 20 5 EFBDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000444670951 250326215 /nfs/dbraw/zinc/32/62/15/250326215.db2.gz BYLUEGZRALECRQ-UHFFFAOYSA-N 1 2 341.371 2.515 20 5 EFBDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000444670951 250326218 /nfs/dbraw/zinc/32/62/18/250326218.db2.gz BYLUEGZRALECRQ-UHFFFAOYSA-N 1 2 341.371 2.515 20 5 EFBDLO CCC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449373432 251002511 /nfs/dbraw/zinc/00/25/11/251002511.db2.gz BUSPCFKNSSKWCS-CVEARBPZSA-N 1 2 332.404 2.822 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174877896 207067460 /nfs/dbraw/zinc/06/74/60/207067460.db2.gz GEZJTFNDKYHRAF-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1 ZINC000449520941 251051334 /nfs/dbraw/zinc/05/13/34/251051334.db2.gz GAZSFJIJAVPDNU-NSHDSACASA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1 ZINC000449520941 251051340 /nfs/dbraw/zinc/05/13/40/251051340.db2.gz GAZSFJIJAVPDNU-NSHDSACASA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1 ZINC000449526844 251053224 /nfs/dbraw/zinc/05/32/24/251053224.db2.gz XXACFFVJJFLXGL-JTQLQIEISA-N 1 2 349.774 2.829 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1 ZINC000449526844 251053227 /nfs/dbraw/zinc/05/32/27/251053227.db2.gz XXACFFVJJFLXGL-JTQLQIEISA-N 1 2 349.774 2.829 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449600332 251078824 /nfs/dbraw/zinc/07/88/24/251078824.db2.gz JMZLHRPNMFUEOF-ZDUSSCGKSA-N 1 2 341.358 2.639 20 5 EFBDLO Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449600332 251078825 /nfs/dbraw/zinc/07/88/25/251078825.db2.gz JMZLHRPNMFUEOF-ZDUSSCGKSA-N 1 2 341.358 2.639 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000449762539 251145743 /nfs/dbraw/zinc/14/57/43/251145743.db2.gz IZRIFNRKJFPVAM-UHFFFAOYSA-N 1 2 345.399 2.522 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000449762539 251145746 /nfs/dbraw/zinc/14/57/46/251145746.db2.gz IZRIFNRKJFPVAM-UHFFFAOYSA-N 1 2 345.399 2.522 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000267585840 251170744 /nfs/dbraw/zinc/17/07/44/251170744.db2.gz DJXLCLIHHJNYRV-CYBMUJFWSA-N 1 2 343.387 2.771 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000267632579 251208428 /nfs/dbraw/zinc/20/84/28/251208428.db2.gz JWPAAYPELZAIHS-CHWSQXEVSA-N 1 2 331.376 2.549 20 5 EFBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCS1 ZINC000450104044 251261871 /nfs/dbraw/zinc/26/18/71/251261871.db2.gz HLEOXWFHESOJKJ-INIZCTEOSA-N 1 2 346.412 2.796 20 5 EFBDLO O=C(CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000450369277 251363060 /nfs/dbraw/zinc/36/30/60/251363060.db2.gz NXEYKQKTYYMXJM-CQSZACIVSA-N 1 2 342.355 2.645 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3[nH]cc[nH+]3)cc2N1 ZINC000371594973 296331843 /nfs/dbraw/zinc/33/18/43/296331843.db2.gz AIWJIDGWFTZVLF-GFCCVEGCSA-N 1 2 327.344 2.544 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000268818229 252268539 /nfs/dbraw/zinc/26/85/39/252268539.db2.gz IZAYGYARXXRGFP-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000154054001 285086688 /nfs/dbraw/zinc/08/66/88/285086688.db2.gz AAVNEPSDZOHISQ-AWEZNQCLSA-N 1 2 339.823 2.545 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000191870363 533433285 /nfs/dbraw/zinc/43/32/85/533433285.db2.gz GSTOTIPDVKMKHP-MFKMUULPSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000191870363 533433286 /nfs/dbraw/zinc/43/32/86/533433286.db2.gz GSTOTIPDVKMKHP-MFKMUULPSA-N 1 2 326.780 2.879 20 5 EFBDLO COc1cc(C(=O)NCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1C ZINC000191913561 533532782 /nfs/dbraw/zinc/53/27/82/533532782.db2.gz GBXMSGIIBNUMTF-UHFFFAOYSA-N 1 2 344.371 2.539 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000125994441 141364356 /nfs/dbraw/zinc/36/43/56/141364356.db2.gz KYGSHDICFAOQNM-ABAIWWIYSA-N 1 2 332.335 2.654 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cn21 ZINC000344959399 142103930 /nfs/dbraw/zinc/10/39/30/142103930.db2.gz SKXDHOKBBCXGCX-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000345030639 142113800 /nfs/dbraw/zinc/11/38/00/142113800.db2.gz XICVLEQKKRCKDZ-GFCCVEGCSA-N 1 2 332.360 2.663 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346040136 142137949 /nfs/dbraw/zinc/13/79/49/142137949.db2.gz RFVQNHYRMVQCSQ-OAHLLOKOSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000346139859 142153573 /nfs/dbraw/zinc/15/35/73/142153573.db2.gz LQQXGWFFOURKKE-UHFFFAOYSA-N 1 2 337.339 2.761 20 5 EFBDLO Cc1ccc(NCCCNC(=O)C(C)(C)c2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000346436276 142204085 /nfs/dbraw/zinc/20/40/85/142204085.db2.gz NPKQSEJUJQDIAC-UHFFFAOYSA-N 1 2 345.403 2.522 20 5 EFBDLO CCNC(=O)[C@H](C)[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000346469399 142208756 /nfs/dbraw/zinc/20/87/56/142208756.db2.gz BKKLDDIXKAEHHH-SJCJKPOMSA-N 1 2 345.399 2.954 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000348002224 142306770 /nfs/dbraw/zinc/30/67/70/142306770.db2.gz SSIURJQKMLGOSA-ZDUSSCGKSA-N 1 2 325.328 2.777 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cn2ccccc2[nH+]1 ZINC000341371382 145041489 /nfs/dbraw/zinc/04/14/89/145041489.db2.gz YZDXVQLMXCZFRQ-UHFFFAOYSA-N 1 2 340.339 2.950 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342665015 145169033 /nfs/dbraw/zinc/16/90/33/145169033.db2.gz YBYQMNYPORWXDB-UHFFFAOYSA-N 1 2 349.778 2.555 20 5 EFBDLO COc1cc(NCc2ccc([N+](=O)[O-])cc2)[nH+]cc1Br ZINC000342820054 145201241 /nfs/dbraw/zinc/20/12/41/145201241.db2.gz GHBGNGGNWOCICA-UHFFFAOYSA-N 1 2 338.161 2.795 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000343829465 145303770 /nfs/dbraw/zinc/30/37/70/145303770.db2.gz ILGMHVQTQXXOCN-CQSZACIVSA-N 1 2 326.356 2.653 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344177074 145385641 /nfs/dbraw/zinc/38/56/41/145385641.db2.gz HUVFRBOXAHGDJL-UHFFFAOYSA-N 1 2 342.330 2.822 20 5 EFBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344231363 145397779 /nfs/dbraw/zinc/39/77/79/145397779.db2.gz ZEPOSOYUFPTHDD-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344231363 145397781 /nfs/dbraw/zinc/39/77/81/145397781.db2.gz ZEPOSOYUFPTHDD-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO Cc1ccc(NCCCNC(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000348860657 146014846 /nfs/dbraw/zinc/01/48/46/146014846.db2.gz PDYWXYVAWHHQHS-UHFFFAOYSA-N 1 2 343.387 2.652 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351882862 146225585 /nfs/dbraw/zinc/22/55/85/146225585.db2.gz LUVHRNLKJULEFD-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351994006 146257849 /nfs/dbraw/zinc/25/78/49/146257849.db2.gz JFAWIEJTUJVSRV-JTQLQIEISA-N 1 2 343.330 2.519 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351994006 146257852 /nfs/dbraw/zinc/25/78/52/146257852.db2.gz JFAWIEJTUJVSRV-JTQLQIEISA-N 1 2 343.330 2.519 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000353410167 146472905 /nfs/dbraw/zinc/47/29/05/146472905.db2.gz WJYHBTGGLWMAEW-MRXNPFEDSA-N 1 2 341.346 2.742 20 5 EFBDLO Cc1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353520241 146502109 /nfs/dbraw/zinc/50/21/09/146502109.db2.gz NMCUTUXKZJLGHS-HNNXBMFYSA-N 1 2 327.344 2.504 20 5 EFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000355579480 147002622 /nfs/dbraw/zinc/00/26/22/147002622.db2.gz WTAGEHLTGOADHT-LLVKDONJSA-N 1 2 343.391 2.623 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355609388 147011490 /nfs/dbraw/zinc/01/14/90/147011490.db2.gz QITUZIQGEZBPPQ-GFCCVEGCSA-N 1 2 329.360 2.545 20 5 EFBDLO COc1c(C(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000355668631 147030160 /nfs/dbraw/zinc/03/01/60/147030160.db2.gz BXOUEIDGWYNJEZ-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO Cc1[nH+]c2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2n1C ZINC000356196102 147173608 /nfs/dbraw/zinc/17/36/08/147173608.db2.gz AJRGPZRFGGWPTI-UHFFFAOYSA-N 1 2 338.367 2.762 20 5 EFBDLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000359221634 148027157 /nfs/dbraw/zinc/02/71/57/148027157.db2.gz HJVNSAWLGBCBAU-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000359221634 148027162 /nfs/dbraw/zinc/02/71/62/148027162.db2.gz HJVNSAWLGBCBAU-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000359700722 148165453 /nfs/dbraw/zinc/16/54/53/148165453.db2.gz QVAATUIJYXESME-UHFFFAOYSA-N 1 2 337.339 2.992 20 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/nfs/dbraw/zinc/23/96/95/149239695.db2.gz RIRNQWIPDOOBAO-UHFFFAOYSA-N 1 2 346.350 2.758 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000364827989 149253742 /nfs/dbraw/zinc/25/37/42/149253742.db2.gz CJVGJPCUFQVIMV-LBPRGKRZSA-N 1 2 329.360 2.740 20 5 EFBDLO Cc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccccn2)cc1 ZINC000369289966 150320314 /nfs/dbraw/zinc/32/03/14/150320314.db2.gz HCDCOHCPVNJPSP-KRWDZBQOSA-N 1 2 337.383 2.911 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000369366182 150336871 /nfs/dbraw/zinc/33/68/71/150336871.db2.gz LAFFOUIHCYMLSM-HNNXBMFYSA-N 1 2 342.399 2.667 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000369463384 150361876 /nfs/dbraw/zinc/36/18/76/150361876.db2.gz OKGRBBXWXWLSAE-OAHLLOKOSA-N 1 2 344.327 2.551 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000369463384 150361879 /nfs/dbraw/zinc/36/18/79/150361879.db2.gz OKGRBBXWXWLSAE-OAHLLOKOSA-N 1 2 344.327 2.551 20 5 EFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372443746 151006998 /nfs/dbraw/zinc/00/69/98/151006998.db2.gz VFHDYTCYSHUFGY-SFHVURJKSA-N 1 2 339.395 2.576 20 5 EFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372443746 151006999 /nfs/dbraw/zinc/00/69/99/151006999.db2.gz VFHDYTCYSHUFGY-SFHVURJKSA-N 1 2 339.395 2.576 20 5 EFBDLO Cc1cccc(NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000372719595 151051643 /nfs/dbraw/zinc/05/16/43/151051643.db2.gz WARSIPAXLXPADF-UHFFFAOYSA-N 1 2 329.404 2.713 20 5 EFBDLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC000372998989 151095927 /nfs/dbraw/zinc/09/59/27/151095927.db2.gz RDICSDDGAPICOR-UHFFFAOYSA-N 1 2 348.378 2.907 20 5 EFBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000374026982 151269633 /nfs/dbraw/zinc/26/96/33/151269633.db2.gz MBLQXWXIZRAGHA-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000374026982 151269635 /nfs/dbraw/zinc/26/96/35/151269635.db2.gz MBLQXWXIZRAGHA-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000374026983 151270154 /nfs/dbraw/zinc/27/01/54/151270154.db2.gz MBLQXWXIZRAGHA-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000374026983 151270159 /nfs/dbraw/zinc/27/01/59/151270159.db2.gz MBLQXWXIZRAGHA-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374341730 151327116 /nfs/dbraw/zinc/32/71/16/151327116.db2.gz PXAANSIONANVHZ-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000374434433 151347271 /nfs/dbraw/zinc/34/72/71/151347271.db2.gz AXLLQJCQUYTSAT-CQSZACIVSA-N 1 2 328.372 2.716 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374572933 151373238 /nfs/dbraw/zinc/37/32/38/151373238.db2.gz RTUOZTDEIXBNFT-MRXNPFEDSA-N 1 2 332.331 2.662 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374572933 151373239 /nfs/dbraw/zinc/37/32/39/151373239.db2.gz RTUOZTDEIXBNFT-MRXNPFEDSA-N 1 2 332.331 2.662 20 5 EFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153779772 287155363 /nfs/dbraw/zinc/15/53/63/287155363.db2.gz DNFILIMNVROHEW-LBPRGKRZSA-N 1 2 347.806 2.921 20 5 EFBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041858 544539822 /nfs/dbraw/zinc/53/98/22/544539822.db2.gz NULISLRUDUBLKO-QWHCGFSZSA-N 1 2 348.424 2.905 20 5 EFBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041858 544539826 /nfs/dbraw/zinc/53/98/26/544539826.db2.gz NULISLRUDUBLKO-QWHCGFSZSA-N 1 2 348.424 2.905 20 5 EFBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179597765 264939300 /nfs/dbraw/zinc/93/93/00/264939300.db2.gz BQCHMVCOFORVBQ-AWEZNQCLSA-N 1 2 340.445 2.727 20 5 EFBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179597765 264939304 /nfs/dbraw/zinc/93/93/04/264939304.db2.gz BQCHMVCOFORVBQ-AWEZNQCLSA-N 1 2 340.445 2.727 20 5 EFBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189544296 265194180 /nfs/dbraw/zinc/19/41/80/265194180.db2.gz GLPYIFXIEBXQDW-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189544296 265194182 /nfs/dbraw/zinc/19/41/82/265194182.db2.gz GLPYIFXIEBXQDW-NSHDSACASA-N 1 2 326.702 2.993 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000192249666 265289799 /nfs/dbraw/zinc/28/97/99/265289799.db2.gz JMWUOXCTHYTZKG-UHFFFAOYSA-N 1 2 336.417 2.968 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000271998054 266119179 /nfs/dbraw/zinc/11/91/79/266119179.db2.gz GRRSQUOJENVCGV-RBUKOAKNSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000271998054 266119182 /nfs/dbraw/zinc/11/91/82/266119182.db2.gz GRRSQUOJENVCGV-RBUKOAKNSA-N 1 2 342.395 2.572 20 5 EFBDLO COc1c(O)cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272234555 266198421 /nfs/dbraw/zinc/19/84/21/266198421.db2.gz FJGJEJGWOBCUSX-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO COc1c(O)cccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000272231613 266198976 /nfs/dbraw/zinc/19/89/76/266198976.db2.gz DVQYMPZKEHIOID-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272668063 266344574 /nfs/dbraw/zinc/34/45/74/266344574.db2.gz PUAIGEKTYGXXNY-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272668063 266344578 /nfs/dbraw/zinc/34/45/78/266344578.db2.gz PUAIGEKTYGXXNY-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1c(Cc2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272688078 266351563 /nfs/dbraw/zinc/35/15/63/266351563.db2.gz TXJULORNFVSVJQ-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO Cc1c(Cc2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000272688078 266351567 /nfs/dbraw/zinc/35/15/67/266351567.db2.gz TXJULORNFVSVJQ-OAHLLOKOSA-N 1 2 346.387 2.659 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272707917 266358888 /nfs/dbraw/zinc/35/88/88/266358888.db2.gz XKQLHWWSWWQTOB-PXTSUWAFSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272707917 266358892 /nfs/dbraw/zinc/35/88/92/266358892.db2.gz XKQLHWWSWWQTOB-PXTSUWAFSA-N 1 2 344.371 2.930 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103470392 273001840 /nfs/dbraw/zinc/00/18/40/273001840.db2.gz SVICIYKJMHWTBM-UHFFFAOYSA-N 1 2 348.378 2.657 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ncnn1C ZINC000276684662 267035149 /nfs/dbraw/zinc/03/51/49/267035149.db2.gz LZQMLDKOZPTPFY-LLVKDONJSA-N 1 2 327.344 2.834 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000276948772 267083537 /nfs/dbraw/zinc/08/35/37/267083537.db2.gz TYDHMNSVDJPCPU-AWEZNQCLSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000276948772 267083540 /nfs/dbraw/zinc/08/35/40/267083540.db2.gz TYDHMNSVDJPCPU-AWEZNQCLSA-N 1 2 345.403 2.800 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121037044 273017440 /nfs/dbraw/zinc/01/74/40/273017440.db2.gz HYJZUTQCRREQBE-LAQIPUCWSA-N 1 2 339.351 2.683 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277866356 267285015 /nfs/dbraw/zinc/28/50/15/267285015.db2.gz UMFMRZLRWPPXLZ-STQMWFEESA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277866356 267285018 /nfs/dbraw/zinc/28/50/18/267285018.db2.gz UMFMRZLRWPPXLZ-STQMWFEESA-N 1 2 326.418 2.555 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc([N+](=O)[O-])c1 ZINC000277986094 267315880 /nfs/dbraw/zinc/31/58/80/267315880.db2.gz HPUKCWUMEACJSH-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc([N+](=O)[O-])c1 ZINC000277986094 267315882 /nfs/dbraw/zinc/31/58/82/267315882.db2.gz HPUKCWUMEACJSH-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO O=C(CCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278508252 267464817 /nfs/dbraw/zinc/46/48/17/267464817.db2.gz MNRGBFKNSWZEPZ-UHFFFAOYSA-N 1 2 342.277 2.517 20 5 EFBDLO CCc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000174253573 273027506 /nfs/dbraw/zinc/02/75/06/273027506.db2.gz MQRWLTJUIIRJMR-UHFFFAOYSA-N 1 2 328.372 2.784 20 5 EFBDLO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183040623 273047009 /nfs/dbraw/zinc/04/70/09/273047009.db2.gz CJUOZVKXVVEREF-UHFFFAOYSA-N 1 2 329.356 2.923 20 5 EFBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ncc1[N+](=O)[O-] ZINC000274285438 273130336 /nfs/dbraw/zinc/13/03/36/273130336.db2.gz JCOXJAUFXWQUPS-LBPRGKRZSA-N 1 2 333.417 2.638 20 5 EFBDLO COc1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274355139 273133545 /nfs/dbraw/zinc/13/35/45/273133545.db2.gz XWQRIRSYHIHCSB-INIZCTEOSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274355139 273133547 /nfs/dbraw/zinc/13/35/47/273133547.db2.gz XWQRIRSYHIHCSB-INIZCTEOSA-N 1 2 334.347 2.908 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C2CC2)O1 ZINC000279334044 273204007 /nfs/dbraw/zinc/20/40/07/273204007.db2.gz PCEUXZALIUHWGG-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C2CC2)O1 ZINC000279334044 273204009 /nfs/dbraw/zinc/20/40/09/273204009.db2.gz PCEUXZALIUHWGG-XHDPSFHLSA-N 1 2 344.371 2.644 20 5 EFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000279863602 273261994 /nfs/dbraw/zinc/26/19/94/273261994.db2.gz SSRDUOUAAFEKKN-CQSZACIVSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000279863602 273261995 /nfs/dbraw/zinc/26/19/95/273261995.db2.gz SSRDUOUAAFEKKN-CQSZACIVSA-N 1 2 346.387 2.892 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000280172315 273298533 /nfs/dbraw/zinc/29/85/33/273298533.db2.gz HHHBQSBAYIPQLM-UHFFFAOYSA-N 1 2 340.387 2.828 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280284447 273311448 /nfs/dbraw/zinc/31/14/48/273311448.db2.gz NQMBQAWXJDXOJZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280284447 273311450 /nfs/dbraw/zinc/31/14/50/273311450.db2.gz NQMBQAWXJDXOJZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280833435 273371825 /nfs/dbraw/zinc/37/18/25/273371825.db2.gz TZPNBTGPJKBATA-LLVKDONJSA-N 1 2 341.358 2.749 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000282815149 273622559 /nfs/dbraw/zinc/62/25/59/273622559.db2.gz YEVSBKWIBKRHSW-UHFFFAOYSA-N 1 2 333.392 2.630 20 5 EFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000284293392 273820344 /nfs/dbraw/zinc/82/03/44/273820344.db2.gz YTKSTWRIYVCVQE-ZDUSSCGKSA-N 1 2 335.316 2.882 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285478410 274007812 /nfs/dbraw/zinc/00/78/12/274007812.db2.gz BHGWJEWBSCRAKH-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285478410 274007813 /nfs/dbraw/zinc/00/78/13/274007813.db2.gz BHGWJEWBSCRAKH-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649318 274045084 /nfs/dbraw/zinc/04/50/84/274045084.db2.gz MEXBBTXOJOYHBM-LSDHHAIUSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649318 274045086 /nfs/dbraw/zinc/04/50/86/274045086.db2.gz MEXBBTXOJOYHBM-LSDHHAIUSA-N 1 2 332.360 2.547 20 5 EFBDLO CN(C)C(=O)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285677167 274051018 /nfs/dbraw/zinc/05/10/18/274051018.db2.gz QIHFHLGQFCFGTG-UHFFFAOYSA-N 1 2 341.358 2.563 20 5 EFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000285779590 274073214 /nfs/dbraw/zinc/07/32/14/274073214.db2.gz JZESDKXUODPYLL-NSHDSACASA-N 1 2 344.375 2.652 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000286102627 274134025 /nfs/dbraw/zinc/13/40/25/274134025.db2.gz FKPXYFMIVMSIIJ-ZDUSSCGKSA-N 1 2 326.356 2.883 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000286148633 274142946 /nfs/dbraw/zinc/14/29/46/274142946.db2.gz OAKDUJWJPMVTPW-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO CC(=O)c1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000286149437 274143236 /nfs/dbraw/zinc/14/32/36/274143236.db2.gz IQATXMIJVLLWRM-CQSZACIVSA-N 1 2 326.356 2.883 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000286163783 274145632 /nfs/dbraw/zinc/14/56/32/274145632.db2.gz CHFNEZQXXIFERL-GFCCVEGCSA-N 1 2 346.362 2.966 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000286250203 274162257 /nfs/dbraw/zinc/16/22/57/274162257.db2.gz FXFDESICSPXGPF-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO CCN(CC)c1ccc(CNc2c([N+](=O)[O-])nc(C)n2CC)c[nH+]1 ZINC000288135775 274533190 /nfs/dbraw/zinc/53/31/90/274533190.db2.gz MXUIFOGXZPXZGY-UHFFFAOYSA-N 1 2 332.408 2.973 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000428700996 276997552 /nfs/dbraw/zinc/99/75/52/276997552.db2.gz POFPPHBGGZDHEY-UHFFFAOYSA-N 1 2 347.350 2.931 20 5 EFBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000355141851 277060947 /nfs/dbraw/zinc/06/09/47/277060947.db2.gz YJOGLLNENIZTGY-UHFFFAOYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000355141851 277060950 /nfs/dbraw/zinc/06/09/50/277060950.db2.gz YJOGLLNENIZTGY-UHFFFAOYSA-N 1 2 330.340 2.992 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344598496 277533432 /nfs/dbraw/zinc/53/34/32/277533432.db2.gz PQXGUGVMHWULGL-AWEZNQCLSA-N 1 2 346.412 2.931 20 5 EFBDLO Cc1cccn2c(CN3CCOc4ccc([N+](=O)[O-])cc4C3)c[nH+]c12 ZINC000356530825 278969002 /nfs/dbraw/zinc/96/90/02/278969002.db2.gz QZFREDUEUJYRMD-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000178580710 280364287 /nfs/dbraw/zinc/36/42/87/280364287.db2.gz QDXRXILHKQNAJQ-KBPBESRZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000178580710 280364290 /nfs/dbraw/zinc/36/42/90/280364290.db2.gz QDXRXILHKQNAJQ-KBPBESRZSA-N 1 2 328.821 2.955 20 5 EFBDLO Cc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2c([nH+]1)CCCC2 ZINC000368472200 282009297 /nfs/dbraw/zinc/00/92/97/282009297.db2.gz VSUSHVQQTDONBR-UHFFFAOYSA-N 1 2 342.403 2.610 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455492293 288738445 /nfs/dbraw/zinc/73/84/45/288738445.db2.gz YEYJBKXWQLVAGH-ABAIWWIYSA-N 1 2 341.371 2.565 20 5 EFBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000429695900 290047781 /nfs/dbraw/zinc/04/77/81/290047781.db2.gz IEJVBSIAPLQHMV-GOSISDBHSA-N 1 2 327.384 2.789 20 5 EFBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000429695900 290047783 /nfs/dbraw/zinc/04/77/83/290047783.db2.gz IEJVBSIAPLQHMV-GOSISDBHSA-N 1 2 327.384 2.789 20 5 EFBDLO C[C@H](O)C[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429204258 290117488 /nfs/dbraw/zinc/11/74/88/290117488.db2.gz OKIGYGSYPDFMAF-ZJUUUORDSA-N 1 2 348.230 2.793 20 5 EFBDLO C[C@H](O)C[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429204258 290117491 /nfs/dbraw/zinc/11/74/91/290117491.db2.gz OKIGYGSYPDFMAF-ZJUUUORDSA-N 1 2 348.230 2.793 20 5 EFBDLO Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000130660113 293173726 /nfs/dbraw/zinc/17/37/26/293173726.db2.gz ZYQZERQZTUGASQ-UHFFFAOYSA-N 1 2 338.323 2.700 20 5 EFBDLO NC(=O)c1ccnc(Nc2ccc(NC3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000290491896 294101053 /nfs/dbraw/zinc/10/10/53/294101053.db2.gz CPOHQHIKDNVNKW-UHFFFAOYSA-N 1 2 342.359 2.582 20 5 EFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291119663 294281812 /nfs/dbraw/zinc/28/18/12/294281812.db2.gz CVKDBMCJHSIBNS-UHFFFAOYSA-N 1 2 331.372 2.660 20 5 EFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291119663 294281813 /nfs/dbraw/zinc/28/18/13/294281813.db2.gz CVKDBMCJHSIBNS-UHFFFAOYSA-N 1 2 331.372 2.660 20 5 EFBDLO COc1ccncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292728653 294769699 /nfs/dbraw/zinc/76/96/99/294769699.db2.gz PWQCCVSCGVCNHF-UHFFFAOYSA-N 1 2 339.298 2.890 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292947875 294834102 /nfs/dbraw/zinc/83/41/02/294834102.db2.gz BKABWYQTNLPGEE-SECBINFHSA-N 1 2 342.277 2.629 20 5 EFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293618103 295012338 /nfs/dbraw/zinc/01/23/38/295012338.db2.gz VZTRDYBVROCAAI-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293618103 295012339 /nfs/dbraw/zinc/01/23/39/295012339.db2.gz VZTRDYBVROCAAI-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293658324 295021365 /nfs/dbraw/zinc/02/13/65/295021365.db2.gz YNCPESXCTICMRY-UHFFFAOYSA-N 1 2 333.310 2.572 20 5 EFBDLO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293658324 295021368 /nfs/dbraw/zinc/02/13/68/295021368.db2.gz YNCPESXCTICMRY-UHFFFAOYSA-N 1 2 333.310 2.572 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000294383786 295157871 /nfs/dbraw/zinc/15/78/71/295157871.db2.gz CZZSRILAVWFEOS-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO CC(C)(CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[N+](=O)[O-] ZINC000294528142 295180819 /nfs/dbraw/zinc/18/08/19/295180819.db2.gz ZDPRPIDEJDLIJX-RMKNXTFCSA-N 1 2 345.443 2.680 20 5 EFBDLO CC(C)(CCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[N+](=O)[O-] ZINC000294545919 295183924 /nfs/dbraw/zinc/18/39/24/295183924.db2.gz QNYFBCRONGTNHU-UHFFFAOYSA-N 1 2 334.420 2.524 20 5 EFBDLO CC(C)(CCC(=O)NCc1[nH+]ccn1CCc1ccccc1)[N+](=O)[O-] ZINC000294802258 295230174 /nfs/dbraw/zinc/23/01/74/295230174.db2.gz BXJNRMXBGIASPG-UHFFFAOYSA-N 1 2 344.415 2.578 20 5 EFBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000294924039 295246644 /nfs/dbraw/zinc/24/66/44/295246644.db2.gz GUBSMGHIDGDIOT-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]2C ZINC000359636263 295262716 /nfs/dbraw/zinc/26/27/16/295262716.db2.gz NZVKLAAHYJEIPO-RYUDHWBXSA-N 1 2 330.388 2.845 20 5 EFBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]2C ZINC000359636263 295262718 /nfs/dbraw/zinc/26/27/18/295262718.db2.gz NZVKLAAHYJEIPO-RYUDHWBXSA-N 1 2 330.388 2.845 20 5 EFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295397537 295313070 /nfs/dbraw/zinc/31/30/70/295313070.db2.gz YZLHNBKPEOMZBT-NSHDSACASA-N 1 2 334.763 2.991 20 5 EFBDLO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295574669 295343137 /nfs/dbraw/zinc/34/31/37/295343137.db2.gz ZWLQXYGUPOQYEV-OAHLLOKOSA-N 1 2 330.388 2.793 20 5 EFBDLO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000295681941 295359700 /nfs/dbraw/zinc/35/97/00/295359700.db2.gz HDCPQZGGTMTSPG-UHFFFAOYSA-N 1 2 342.355 2.909 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1F ZINC000295868919 295389022 /nfs/dbraw/zinc/38/90/22/295389022.db2.gz AHCSKIJFEKNTCP-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000295904804 295394418 /nfs/dbraw/zinc/39/44/18/295394418.db2.gz FJQCMRMHDCONQY-JTQLQIEISA-N 1 2 343.225 2.673 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)c(NCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000296033072 295414419 /nfs/dbraw/zinc/41/44/19/295414419.db2.gz PGIZYMRFDYSRSM-UHFFFAOYSA-N 1 2 334.203 2.770 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296238876 295446293 /nfs/dbraw/zinc/44/62/93/295446293.db2.gz KGOCPABUQQOHAG-CQSZACIVSA-N 1 2 343.387 2.621 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2N1 ZINC000152230621 304636527 /nfs/dbraw/zinc/63/65/27/304636527.db2.gz WRLCEAHNLIANIH-CYBMUJFWSA-N 1 2 341.371 2.934 20 5 EFBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 ZINC000173964621 310765454 /nfs/dbraw/zinc/76/54/54/310765454.db2.gz JOVBHUURFSLQHU-STQMWFEESA-N 1 2 338.371 2.982 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000175236206 310769716 /nfs/dbraw/zinc/76/97/16/310769716.db2.gz GKOHYWHPEJJVSV-SMDDNHRTSA-N 1 2 346.412 2.816 20 5 EFBDLO CC(C)(O)C1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000297426919 310893704 /nfs/dbraw/zinc/89/37/04/310893704.db2.gz OCQJBDWGUUTFJJ-UHFFFAOYSA-N 1 2 333.413 2.921 20 5 EFBDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297803928 310931133 /nfs/dbraw/zinc/93/11/33/310931133.db2.gz YFVQOJWEJPMBMM-JSGCOSHPSA-N 1 2 343.387 2.968 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000299511076 311092072 /nfs/dbraw/zinc/09/20/72/311092072.db2.gz JMZORXATPHJLPX-UHFFFAOYSA-N 1 2 346.412 2.991 20 5 EFBDLO C[C@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000301282938 311128858 /nfs/dbraw/zinc/12/88/58/311128858.db2.gz PEWXAQKGPAQHNP-QWRGUYRKSA-N 1 2 342.827 2.943 20 5 EFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301329179 311131469 /nfs/dbraw/zinc/13/14/69/311131469.db2.gz CXLAWRANWRADLN-UHFFFAOYSA-N 1 2 339.355 2.934 20 5 EFBDLO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301490762 311140565 /nfs/dbraw/zinc/14/05/65/311140565.db2.gz BACCLTVAZCUCLL-UHFFFAOYSA-N 1 2 343.225 2.530 20 5 EFBDLO Cc1ccc(CCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c[nH+]1 ZINC000301601428 311147101 /nfs/dbraw/zinc/14/71/01/311147101.db2.gz ZQQSPWPEKGDMAM-UHFFFAOYSA-N 1 2 346.343 2.662 20 5 EFBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)o1 ZINC000301619786 311147947 /nfs/dbraw/zinc/14/79/47/311147947.db2.gz DNPNEBFCFCDBOD-HNNXBMFYSA-N 1 2 346.387 2.685 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301728762 311155230 /nfs/dbraw/zinc/15/52/30/311155230.db2.gz CBNYXSOBJVRSAO-UHFFFAOYSA-N 1 2 330.735 2.836 20 5 EFBDLO Cc1cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301728217 311155277 /nfs/dbraw/zinc/15/52/77/311155277.db2.gz BPPUIQXUHSUKFW-UHFFFAOYSA-N 1 2 334.445 2.907 20 5 EFBDLO CC(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000301758682 311156931 /nfs/dbraw/zinc/15/69/31/311156931.db2.gz APTILSOMQFXCFA-CQSZACIVSA-N 1 2 329.347 2.642 20 5 EFBDLO Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302403589 311189262 /nfs/dbraw/zinc/18/92/62/311189262.db2.gz KLCKKJMVSVEWDH-ZIAGYGMSSA-N 1 2 328.372 2.932 20 5 EFBDLO CCc1nn(C)c(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000302683070 311196570 /nfs/dbraw/zinc/19/65/70/311196570.db2.gz SOFVUUWOUJXYMP-UHFFFAOYSA-N 1 2 326.360 2.689 20 5 EFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000315028461 311234050 /nfs/dbraw/zinc/23/40/50/311234050.db2.gz WLNDCMYKSOJTTN-SNVBAGLBSA-N 1 2 335.385 2.997 20 5 EFBDLO CC(C)SCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330451469 311318286 /nfs/dbraw/zinc/31/82/86/311318286.db2.gz YVPNLVMOYQVCAC-UHFFFAOYSA-N 1 2 343.474 2.556 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330525321 311320656 /nfs/dbraw/zinc/32/06/56/311320656.db2.gz QBYJQWMFOJBZNX-UHFFFAOYSA-N 1 2 348.321 2.883 20 5 EFBDLO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330599889 311323667 /nfs/dbraw/zinc/32/36/67/311323667.db2.gz GQFXETBLKFJTOA-DVOMOZLQSA-N 1 2 335.404 2.667 20 5 EFBDLO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330599889 311323669 /nfs/dbraw/zinc/32/36/69/311323669.db2.gz GQFXETBLKFJTOA-DVOMOZLQSA-N 1 2 335.404 2.667 20 5 EFBDLO C[C@H]1[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1(C)C ZINC000331047564 311351074 /nfs/dbraw/zinc/35/10/74/311351074.db2.gz JBDPSBWOFBDIDR-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1(C)C ZINC000331047564 311351075 /nfs/dbraw/zinc/35/10/75/311351075.db2.gz JBDPSBWOFBDIDR-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H]1[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1(C)C ZINC000331052639 311351138 /nfs/dbraw/zinc/35/11/38/311351138.db2.gz JGGWAIIOKAPVDU-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H]1[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1(C)C ZINC000331052639 311351139 /nfs/dbraw/zinc/35/11/39/311351139.db2.gz JGGWAIIOKAPVDU-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000332103330 311455482 /nfs/dbraw/zinc/45/54/82/311455482.db2.gz GDQXRLXIYXLDFR-UHFFFAOYSA-N 1 2 347.415 2.639 20 5 EFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000332369366 311494880 /nfs/dbraw/zinc/49/48/80/311494880.db2.gz AFTOUKPDOLBSSV-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C3CCOCC3)no2)cc1-n1cc[nH+]c1 ZINC000351054722 311847012 /nfs/dbraw/zinc/84/70/12/311847012.db2.gz RGELKQVYHNGDHB-UHFFFAOYSA-N 1 2 341.327 2.725 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)n3cc[nH+]c3)n2)c1 ZINC000351497253 311885323 /nfs/dbraw/zinc/88/53/23/311885323.db2.gz FAWKZWVLPIVWQY-NSHDSACASA-N 1 2 343.343 2.577 20 5 EFBDLO Cc1cc(N2C[C@H](C)C[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420629592 312376722 /nfs/dbraw/zinc/37/67/22/312376722.db2.gz PCZCVOHFQQEMFM-OCCSQVGLSA-N 1 2 342.399 2.815 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000420700485 312385444 /nfs/dbraw/zinc/38/54/44/312385444.db2.gz OTUPTLTYRPKDFD-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420787520 312390525 /nfs/dbraw/zinc/39/05/25/312390525.db2.gz WCIDFZSYXHMUIR-UHFFFAOYSA-N 1 2 344.371 2.615 20 5 EFBDLO O=[N+]([O-])c1cccc2c(N3CCN(c4cccc[nH+]4)CC3)ccnc21 ZINC000432342852 312558220 /nfs/dbraw/zinc/55/82/20/312558220.db2.gz OOSYBRVGORIALV-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO CCC[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450584486 312714536 /nfs/dbraw/zinc/71/45/36/312714536.db2.gz OJYTWZOFLZGFKF-HNNXBMFYSA-N 1 2 337.420 2.654 20 5 EFBDLO COC(=O)Cc1ccc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000450904524 312771316 /nfs/dbraw/zinc/77/13/16/312771316.db2.gz FRVSNVDENMWQHH-UHFFFAOYSA-N 1 2 329.356 2.934 20 5 EFBDLO CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458092394 313069835 /nfs/dbraw/zinc/06/98/35/313069835.db2.gz GPRVBUTZCWACSZ-RDJZCZTQSA-N 1 2 328.372 2.945 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)CCc3ccccc3)C2)cc1 ZINC000470038288 313127982 /nfs/dbraw/zinc/12/79/82/313127982.db2.gz JUIXBARVKQDTFR-KRWDZBQOSA-N 1 2 342.395 2.652 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000470180130 313130319 /nfs/dbraw/zinc/13/03/19/313130319.db2.gz IOKBTVHAAHUKKX-BGXJKKHCSA-N 1 2 329.400 2.741 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000470180130 313130323 /nfs/dbraw/zinc/13/03/23/313130323.db2.gz IOKBTVHAAHUKKX-BGXJKKHCSA-N 1 2 329.400 2.741 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000470211011 313130411 /nfs/dbraw/zinc/13/04/11/313130411.db2.gz FKOGMDILLNEWDJ-OOXMNIKJSA-N 1 2 331.416 2.845 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000470211011 313130413 /nfs/dbraw/zinc/13/04/13/313130413.db2.gz FKOGMDILLNEWDJ-OOXMNIKJSA-N 1 2 331.416 2.845 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000472327516 313185766 /nfs/dbraw/zinc/18/57/66/313185766.db2.gz MYPQVCMYOJVKPV-KGLIPLIRSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000472327516 313185769 /nfs/dbraw/zinc/18/57/69/313185769.db2.gz MYPQVCMYOJVKPV-KGLIPLIRSA-N 1 2 337.395 2.955 20 5 EFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000486933657 313349100 /nfs/dbraw/zinc/34/91/00/313349100.db2.gz GGQVMBDRCYJCMW-CYBMUJFWSA-N 1 2 336.298 2.502 20 5 EFBDLO Cc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)[nH+]1 ZINC000488947893 313528387 /nfs/dbraw/zinc/52/83/87/313528387.db2.gz XYUMSAIZYXURIW-UHFFFAOYSA-N 1 2 344.375 2.672 20 5 EFBDLO Cc1cc(N2CCC[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489987628 313622852 /nfs/dbraw/zinc/62/28/52/313622852.db2.gz ADCVQLULIVDASJ-AWEZNQCLSA-N 1 2 328.372 2.711 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C\c3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000491235983 313720006 /nfs/dbraw/zinc/72/00/06/313720006.db2.gz DMEQJQAXMCJHNI-WAYWQWQTSA-N 1 2 336.351 2.881 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000491743217 313777224 /nfs/dbraw/zinc/77/72/24/313777224.db2.gz LZZDPCRGMFRSOR-TWGQIWQCSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000491874859 313798835 /nfs/dbraw/zinc/79/88/35/313798835.db2.gz WXTMGSDGDRKKSA-GQCTYLIASA-N 1 2 332.335 2.540 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000492112860 313877872 /nfs/dbraw/zinc/87/78/72/313877872.db2.gz OHMCVWQVWHUVBB-DUXPYHPUSA-N 1 2 340.314 2.711 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CCC2 ZINC000492204454 313911023 /nfs/dbraw/zinc/91/10/23/313911023.db2.gz KJJPDBQCPHJDGZ-CDNLZTBQSA-N 1 2 340.383 2.807 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492916300 314175642 /nfs/dbraw/zinc/17/56/42/314175642.db2.gz AONWWPFARFVXGG-CDVVCGDMSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000493041943 314221170 /nfs/dbraw/zinc/22/11/70/314221170.db2.gz AWIIERMVPBKCPD-WAYWQWQTSA-N 1 2 326.356 2.737 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000493131919 314252719 /nfs/dbraw/zinc/25/27/19/314252719.db2.gz LFSCRNDSDLMAAS-KGLIPLIRSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000493131919 314252723 /nfs/dbraw/zinc/25/27/23/314252723.db2.gz LFSCRNDSDLMAAS-KGLIPLIRSA-N 1 2 328.821 2.955 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000493221549 314281762 /nfs/dbraw/zinc/28/17/62/314281762.db2.gz PJKXMNVTNFXGAR-VFQAQYNWSA-N 1 2 330.369 2.605 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493548650 314396219 /nfs/dbraw/zinc/39/62/19/314396219.db2.gz GFNMZOLJJRCABV-UPHRSURJSA-N 1 2 340.261 2.666 20 5 EFBDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000494371817 314579420 /nfs/dbraw/zinc/57/94/20/314579420.db2.gz UBVYOXWWXMPWPI-JTQLQIEISA-N 1 2 344.400 2.698 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000496415428 315058686 /nfs/dbraw/zinc/05/86/86/315058686.db2.gz KQZNRIMWYACSGG-NSHDSACASA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000496415428 315058687 /nfs/dbraw/zinc/05/86/87/315058687.db2.gz KQZNRIMWYACSGG-NSHDSACASA-N 1 2 327.768 2.521 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(CCCC2)OC1=O ZINC000496530309 315100336 /nfs/dbraw/zinc/10/03/36/315100336.db2.gz VVRZUIACGWXSAG-UHFFFAOYSA-N 1 2 333.388 2.792 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(CCCC2)OC1=O ZINC000496530309 315100339 /nfs/dbraw/zinc/10/03/39/315100339.db2.gz VVRZUIACGWXSAG-UHFFFAOYSA-N 1 2 333.388 2.792 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000496746800 315180685 /nfs/dbraw/zinc/18/06/85/315180685.db2.gz XXRVCICCUDQFRX-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000526063344 316285294 /nfs/dbraw/zinc/28/52/94/316285294.db2.gz OXFZWOZKAVVYSW-LCYFTJDESA-N 1 2 327.388 2.668 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000526063344 316285297 /nfs/dbraw/zinc/28/52/97/316285297.db2.gz OXFZWOZKAVVYSW-LCYFTJDESA-N 1 2 327.388 2.668 20 5 EFBDLO Cc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000531776904 317312373 /nfs/dbraw/zinc/31/23/73/317312373.db2.gz YZHOPSRHRQYLPF-UHFFFAOYSA-N 1 2 330.344 2.807 20 5 EFBDLO Cc1ccc(CCNc2c(Br)cncc2[N+](=O)[O-])c[nH+]1 ZINC000535749377 317606022 /nfs/dbraw/zinc/60/60/22/317606022.db2.gz OMTAKYYAVMCSFN-UHFFFAOYSA-N 1 2 337.177 2.532 20 5 EFBDLO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000540526235 317746389 /nfs/dbraw/zinc/74/63/89/317746389.db2.gz SBXWBBCEEDDEKG-OAHLLOKOSA-N 1 2 338.404 2.930 20 5 EFBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548413472 318105018 /nfs/dbraw/zinc/10/50/18/318105018.db2.gz LKVWRBXQYLUPAO-UHFFFAOYSA-N 1 2 340.343 2.646 20 5 EFBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548420368 318106061 /nfs/dbraw/zinc/10/60/61/318106061.db2.gz RXXNVKHDYSRXTB-UHFFFAOYSA-N 1 2 325.284 2.758 20 5 EFBDLO Cn1c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH+]c1C1CC1 ZINC000549768092 318181685 /nfs/dbraw/zinc/18/16/85/318181685.db2.gz GHSVDUWECOQFDU-UHFFFAOYSA-N 1 2 339.355 2.617 20 5 EFBDLO Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000551872623 318220258 /nfs/dbraw/zinc/22/02/58/318220258.db2.gz YEHDZBXOQUAHKL-UHFFFAOYSA-N 1 2 326.356 2.855 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000552265150 318250391 /nfs/dbraw/zinc/25/03/91/318250391.db2.gz LTVSGFLTWOJJLW-INIZCTEOSA-N 1 2 341.346 2.742 20 5 EFBDLO C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000555726667 318367082 /nfs/dbraw/zinc/36/70/82/318367082.db2.gz WCVPSRZXPZVZBX-CYBMUJFWSA-N 1 2 342.399 2.590 20 5 EFBDLO CCc1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000556868652 318416665 /nfs/dbraw/zinc/41/66/65/318416665.db2.gz VGXPSXLZQZDHHV-MRXNPFEDSA-N 1 2 341.371 2.758 20 5 EFBDLO CC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000566414353 319071752 /nfs/dbraw/zinc/07/17/52/319071752.db2.gz OCGBIBXLCHVPEF-UHFFFAOYSA-N 1 2 345.355 2.829 20 5 EFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000567974615 319232024 /nfs/dbraw/zinc/23/20/24/319232024.db2.gz COUYIWRZVFTDKT-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO CC(C)(C(=O)NCCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000571779453 319606934 /nfs/dbraw/zinc/60/69/34/319606934.db2.gz HRRQBQQKFNSEJG-UHFFFAOYSA-N 1 2 330.388 2.666 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000576311838 320004064 /nfs/dbraw/zinc/00/40/64/320004064.db2.gz JMSKECWUKUZYER-UHFFFAOYSA-N 1 2 349.822 2.694 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000576311838 320004065 /nfs/dbraw/zinc/00/40/65/320004065.db2.gz JMSKECWUKUZYER-UHFFFAOYSA-N 1 2 349.822 2.694 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026346071 323212577 /nfs/dbraw/zinc/21/25/77/323212577.db2.gz LRTFHBPSLHWWSW-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026346071 323212578 /nfs/dbraw/zinc/21/25/78/323212578.db2.gz LRTFHBPSLHWWSW-UHFFFAOYSA-N 1 2 335.310 2.944 20 5 EFBDLO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000184698453 323372300 /nfs/dbraw/zinc/37/23/00/323372300.db2.gz NIZSIRQTFOCUTM-HNNXBMFYSA-N 1 2 347.371 2.720 20 5 EFBDLO CC1(C)CN(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C(=O)O1 ZINC000124234424 473223001 /nfs/dbraw/zinc/22/30/01/473223001.db2.gz XLTHFYPZMCPKOS-UHFFFAOYSA-N 1 2 349.387 2.626 20 5 EFBDLO CSc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000171065462 473269607 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EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000083171080 473326839 /nfs/dbraw/zinc/32/68/39/473326839.db2.gz PXLRWSSXGDLEFU-MFKMUULPSA-N 1 2 345.277 2.624 20 5 EFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162842442 473388952 /nfs/dbraw/zinc/38/89/52/473388952.db2.gz PDVWGOGSTSWEBD-UHFFFAOYSA-N 1 2 340.343 2.519 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000348136768 475419394 /nfs/dbraw/zinc/41/93/94/475419394.db2.gz BNXQIJJDZFOKED-CQSZACIVSA-N 1 2 345.359 2.610 20 5 EFBDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452043940 476792814 /nfs/dbraw/zinc/79/28/14/476792814.db2.gz VJJMSRSQIHAJKG-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452043940 476792821 /nfs/dbraw/zinc/79/28/21/476792821.db2.gz VJJMSRSQIHAJKG-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO COc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000459624539 478015281 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O=C(NCCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032478203 472439234 /nfs/dbraw/zinc/43/92/34/472439234.db2.gz YQTQJTBEZMDSPM-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154612175 472451062 /nfs/dbraw/zinc/45/10/62/472451062.db2.gz RCISXPQYTYVDJO-UHFFFAOYSA-N 1 2 343.383 2.682 20 5 EFBDLO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154612175 472451070 /nfs/dbraw/zinc/45/10/70/472451070.db2.gz RCISXPQYTYVDJO-UHFFFAOYSA-N 1 2 343.383 2.682 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000128485376 472457530 /nfs/dbraw/zinc/45/75/30/472457530.db2.gz BGLCOGLFNCWSRD-BLLLJJGKSA-N 1 2 346.362 2.583 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000057754957 472471601 /nfs/dbraw/zinc/47/16/01/472471601.db2.gz DSDQCWHGBDLADC-UHFFFAOYSA-N 1 2 342.277 2.626 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000154970944 472491140 /nfs/dbraw/zinc/49/11/40/472491140.db2.gz VYDQFPZSPXPNJF-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO C[C@H](c1cccnc1)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118836403 472509620 /nfs/dbraw/zinc/50/96/20/472509620.db2.gz RXYRSGOPCLFQNX-MRXNPFEDSA-N 1 2 340.427 2.911 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000070902338 472522082 /nfs/dbraw/zinc/52/20/82/472522082.db2.gz NZUCJRWZODUZIL-ZDUSSCGKSA-N 1 2 331.397 2.785 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000070902338 472522089 /nfs/dbraw/zinc/52/20/89/472522089.db2.gz NZUCJRWZODUZIL-ZDUSSCGKSA-N 1 2 331.397 2.785 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000058267521 472529435 /nfs/dbraw/zinc/52/94/35/472529435.db2.gz PIFZXIRJQRRKHS-GJZGRUSLSA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000058267521 472529439 /nfs/dbraw/zinc/52/94/39/472529439.db2.gz PIFZXIRJQRRKHS-GJZGRUSLSA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000119373539 472550571 /nfs/dbraw/zinc/55/05/71/472550571.db2.gz LFSCRNDSDLMAAS-KBPBESRZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000119373539 472550577 /nfs/dbraw/zinc/55/05/77/472550577.db2.gz LFSCRNDSDLMAAS-KBPBESRZSA-N 1 2 328.821 2.955 20 5 EFBDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598885 472575284 /nfs/dbraw/zinc/57/52/84/472575284.db2.gz ZHCCNKMAUVFOMY-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598885 472575288 /nfs/dbraw/zinc/57/52/88/472575288.db2.gz ZHCCNKMAUVFOMY-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@H]3C3CC3)co2)cc1 ZINC000090007341 472579497 /nfs/dbraw/zinc/57/94/97/472579497.db2.gz QWNOZSFUHKIBSL-INIZCTEOSA-N 1 2 329.356 2.861 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@H]3C3CC3)co2)cc1 ZINC000090007341 472579502 /nfs/dbraw/zinc/57/95/02/472579502.db2.gz QWNOZSFUHKIBSL-INIZCTEOSA-N 1 2 329.356 2.861 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119815379 472586632 /nfs/dbraw/zinc/58/66/32/472586632.db2.gz QVPCZGXFJATTJJ-UONOGXRCSA-N 1 2 335.404 2.669 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119815379 472586637 /nfs/dbraw/zinc/58/66/37/472586637.db2.gz QVPCZGXFJATTJJ-UONOGXRCSA-N 1 2 335.404 2.669 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000058958595 472616688 /nfs/dbraw/zinc/61/66/88/472616688.db2.gz JDPUJSNAWLMIRX-UHFFFAOYSA-N 1 2 335.385 2.949 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC4(C3)OCCO4)co2)cc1 ZINC000090564428 472638169 /nfs/dbraw/zinc/63/81/69/472638169.db2.gz VMJBMHDMRPXUAV-UHFFFAOYSA-N 1 2 345.355 2.589 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC4(C3)OCCO4)co2)cc1 ZINC000090564428 472638174 /nfs/dbraw/zinc/63/81/74/472638174.db2.gz VMJBMHDMRPXUAV-UHFFFAOYSA-N 1 2 345.355 2.589 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000090614735 472643186 /nfs/dbraw/zinc/64/31/86/472643186.db2.gz DDWYKPKBHFJANP-UHFFFAOYSA-N 1 2 345.786 2.905 20 5 EFBDLO NC(=O)c1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000090614735 472643193 /nfs/dbraw/zinc/64/31/93/472643193.db2.gz DDWYKPKBHFJANP-UHFFFAOYSA-N 1 2 345.786 2.905 20 5 EFBDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120173306 472643714 /nfs/dbraw/zinc/64/37/14/472643714.db2.gz ACHOYDTVJYQPRX-UHFFFAOYSA-N 1 2 336.779 2.657 20 5 EFBDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120173306 472643718 /nfs/dbraw/zinc/64/37/18/472643718.db2.gz ACHOYDTVJYQPRX-UHFFFAOYSA-N 1 2 336.779 2.657 20 5 EFBDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000131268348 472661186 /nfs/dbraw/zinc/66/11/86/472661186.db2.gz SIBIUHBDUCWMOR-ZDUSSCGKSA-N 1 2 343.427 2.742 20 5 EFBDLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000131268348 472661192 /nfs/dbraw/zinc/66/11/92/472661192.db2.gz SIBIUHBDUCWMOR-ZDUSSCGKSA-N 1 2 343.427 2.742 20 5 EFBDLO CCCCCCN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000072312216 472661766 /nfs/dbraw/zinc/66/17/66/472661766.db2.gz YRZTXKMIHFLLOZ-UHFFFAOYSA-N 1 2 336.436 2.709 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131451476 472671992 /nfs/dbraw/zinc/67/19/92/472671992.db2.gz OTVFZGFTUBYMRA-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131451476 472671995 /nfs/dbraw/zinc/67/19/95/472671995.db2.gz OTVFZGFTUBYMRA-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000104678094 472683002 /nfs/dbraw/zinc/68/30/02/472683002.db2.gz OIXSTCWUCKLYNM-VIFPVBQESA-N 1 2 349.309 2.815 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000104678094 472683009 /nfs/dbraw/zinc/68/30/09/472683009.db2.gz OIXSTCWUCKLYNM-VIFPVBQESA-N 1 2 349.309 2.815 20 5 EFBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131911285 472702628 /nfs/dbraw/zinc/70/26/28/472702628.db2.gz KKDBHFDDWPMBHP-SFHVURJKSA-N 1 2 345.399 2.776 20 5 EFBDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131911285 472702633 /nfs/dbraw/zinc/70/26/33/472702633.db2.gz KKDBHFDDWPMBHP-SFHVURJKSA-N 1 2 345.399 2.776 20 5 EFBDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072982843 472753390 /nfs/dbraw/zinc/75/33/90/472753390.db2.gz WCMRWGSZUGFZMI-CYBMUJFWSA-N 1 2 345.403 2.579 20 5 EFBDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072982843 472753397 /nfs/dbraw/zinc/75/33/97/472753397.db2.gz WCMRWGSZUGFZMI-CYBMUJFWSA-N 1 2 345.403 2.579 20 5 EFBDLO Cc1nn(C)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000063254688 472762016 /nfs/dbraw/zinc/76/20/16/472762016.db2.gz BVTCQTGZVVEVBQ-UHFFFAOYSA-N 1 2 330.323 2.574 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063502234 472782868 /nfs/dbraw/zinc/78/28/68/472782868.db2.gz GRNYVGPPBSWLNV-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091701766 472796770 /nfs/dbraw/zinc/79/67/70/472796770.db2.gz JJNDRYYNVLRGJG-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091701766 472796777 /nfs/dbraw/zinc/79/67/77/472796777.db2.gz JJNDRYYNVLRGJG-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO CO[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000091772409 472805793 /nfs/dbraw/zinc/80/57/93/472805793.db2.gz BDYNJJKHRRNHTJ-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000091772409 472805798 /nfs/dbraw/zinc/80/57/98/472805798.db2.gz BDYNJJKHRRNHTJ-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000157362140 472812827 /nfs/dbraw/zinc/81/28/27/472812827.db2.gz ICCFWCZUUDJXSZ-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO Cc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000079063230 472813204 /nfs/dbraw/zinc/81/32/04/472813204.db2.gz YVNBGJGBXWWXAG-UHFFFAOYSA-N 1 2 343.387 2.800 20 5 EFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000121320519 472834435 /nfs/dbraw/zinc/83/44/35/472834435.db2.gz MSEURJBPELVSHY-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000121320519 472834442 /nfs/dbraw/zinc/83/44/42/472834442.db2.gz MSEURJBPELVSHY-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988709 472838666 /nfs/dbraw/zinc/83/86/66/472838666.db2.gz HVLDZLDLTKSLEO-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988709 472838673 /nfs/dbraw/zinc/83/86/73/472838673.db2.gz HVLDZLDLTKSLEO-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC000121401239 472846635 /nfs/dbraw/zinc/84/66/35/472846635.db2.gz AUIYACMTRNICTR-CYBMUJFWSA-N 1 2 343.387 2.530 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048316656 472855664 /nfs/dbraw/zinc/85/56/64/472855664.db2.gz PGNHHSKFHPACKO-UHFFFAOYSA-N 1 2 349.350 2.696 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000065208387 472907383 /nfs/dbraw/zinc/90/73/83/472907383.db2.gz NLPLXFAKCFMIKE-UHFFFAOYSA-N 1 2 341.411 2.791 20 5 EFBDLO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092606992 472945271 /nfs/dbraw/zinc/94/52/71/472945271.db2.gz ANOOVVUZPRZPCS-UHFFFAOYSA-N 1 2 343.431 2.583 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000074250226 472970344 /nfs/dbraw/zinc/97/03/44/472970344.db2.gz KDTDTIBDNLJFML-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730257 472973784 /nfs/dbraw/zinc/97/37/84/472973784.db2.gz MBDPUCXDLQSCEG-KGLIPLIRSA-N 1 2 349.431 2.817 20 5 EFBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730257 472973789 /nfs/dbraw/zinc/97/37/89/472973789.db2.gz MBDPUCXDLQSCEG-KGLIPLIRSA-N 1 2 349.431 2.817 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093050095 473033637 /nfs/dbraw/zinc/03/36/37/473033637.db2.gz JSEBORMSDZPKSB-AWEZNQCLSA-N 1 2 329.356 2.565 20 5 EFBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093050095 473033639 /nfs/dbraw/zinc/03/36/39/473033639.db2.gz JSEBORMSDZPKSB-AWEZNQCLSA-N 1 2 329.356 2.565 20 5 EFBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(C1CC1)C1CC1 ZINC000135224532 473038800 /nfs/dbraw/zinc/03/88/00/473038800.db2.gz UIRNVCHBXKTIRP-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(C1CC1)C1CC1 ZINC000135224532 473038807 /nfs/dbraw/zinc/03/88/07/473038807.db2.gz UIRNVCHBXKTIRP-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO C[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135233720 473040414 /nfs/dbraw/zinc/04/04/14/473040414.db2.gz VBHDUKLLZJGSFB-CQSZACIVSA-N 1 2 331.416 2.818 20 5 EFBDLO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135233720 473040421 /nfs/dbraw/zinc/04/04/21/473040421.db2.gz VBHDUKLLZJGSFB-CQSZACIVSA-N 1 2 331.416 2.818 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235885 473040739 /nfs/dbraw/zinc/04/07/39/473040739.db2.gz GCQQTRRRMNMZQA-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235885 473040746 /nfs/dbraw/zinc/04/07/46/473040746.db2.gz GCQQTRRRMNMZQA-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000159689178 473051946 /nfs/dbraw/zinc/05/19/46/473051946.db2.gz ZHOSJRDETYKULM-UHFFFAOYSA-N 1 2 343.339 2.645 20 5 EFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000051532099 473054369 /nfs/dbraw/zinc/05/43/69/473054369.db2.gz MHOWTZUCDMGIGF-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000051532099 473054372 /nfs/dbraw/zinc/05/43/72/473054372.db2.gz MHOWTZUCDMGIGF-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074739346 473055017 /nfs/dbraw/zinc/05/50/17/473055017.db2.gz OYJKGTOOVHUMFB-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)ncc1[N+](=O)[O-] ZINC000074763940 473058631 /nfs/dbraw/zinc/05/86/31/473058631.db2.gz GMTXEQGIHOEJDH-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cs1 ZINC000051594369 473059096 /nfs/dbraw/zinc/05/90/96/473059096.db2.gz OCMJNLWQNHKCPA-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000122965899 473081060 /nfs/dbraw/zinc/08/10/60/473081060.db2.gz FZLMLAGCWINONQ-SNVBAGLBSA-N 1 2 347.327 2.548 20 5 EFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000122965899 473081067 /nfs/dbraw/zinc/08/10/67/473081067.db2.gz FZLMLAGCWINONQ-SNVBAGLBSA-N 1 2 347.327 2.548 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC000080916712 473098849 /nfs/dbraw/zinc/09/88/49/473098849.db2.gz FVRRSELESOTDIE-LBPRGKRZSA-N 1 2 329.356 2.759 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC000080916712 473098856 /nfs/dbraw/zinc/09/88/56/473098856.db2.gz FVRRSELESOTDIE-LBPRGKRZSA-N 1 2 329.356 2.759 20 5 EFBDLO Cc1nn(C)c(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000052314786 473100204 /nfs/dbraw/zinc/10/02/04/473100204.db2.gz QGYOMUGSZOHKIH-UHFFFAOYSA-N 1 2 330.392 2.634 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(O)c1 ZINC000080918653 473100458 /nfs/dbraw/zinc/10/04/58/473100458.db2.gz HCNSBRNHIPZKOK-LBPRGKRZSA-N 1 2 329.356 2.759 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080918653 473100473 /nfs/dbraw/zinc/10/04/73/473100473.db2.gz HCNSBRNHIPZKOK-LBPRGKRZSA-N 1 2 329.356 2.759 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080923126 473101566 /nfs/dbraw/zinc/10/15/66/473101566.db2.gz WUKWAZLNXPIOOQ-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080923126 473101571 /nfs/dbraw/zinc/10/15/71/473101571.db2.gz WUKWAZLNXPIOOQ-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO Cc1noc(C)c1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000080945078 473108753 /nfs/dbraw/zinc/10/87/53/473108753.db2.gz FWOZSOCVPARIFL-UHFFFAOYSA-N 1 2 341.327 2.662 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066565902 473114488 /nfs/dbraw/zinc/11/44/88/473114488.db2.gz XERRKYBBUVYNAM-NSHDSACASA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066565902 473114493 /nfs/dbraw/zinc/11/44/93/473114493.db2.gz XERRKYBBUVYNAM-NSHDSACASA-N 1 2 334.401 2.819 20 5 EFBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000135884646 473117381 /nfs/dbraw/zinc/11/73/81/473117381.db2.gz GIKBRPPNTPHCDS-UHFFFAOYSA-N 1 2 348.428 2.969 20 5 EFBDLO O=C(Nc1cc[nH+]cc1O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109889798 473133023 /nfs/dbraw/zinc/13/30/23/473133023.db2.gz MWIYMZCVEJAOHQ-UHFFFAOYSA-N 1 2 342.355 2.551 20 5 EFBDLO CCc1nn(C)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000094150171 473180990 /nfs/dbraw/zinc/18/09/90/473180990.db2.gz BRCNTNFQXLYUBJ-UHFFFAOYSA-N 1 2 344.350 2.828 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163314501 473432607 /nfs/dbraw/zinc/43/26/07/473432607.db2.gz FHDPKVRQOWHAQG-NSHDSACASA-N 1 2 341.795 2.959 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163314501 473432613 /nfs/dbraw/zinc/43/26/13/473432613.db2.gz FHDPKVRQOWHAQG-NSHDSACASA-N 1 2 341.795 2.959 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000125844126 473463344 /nfs/dbraw/zinc/46/33/44/473463344.db2.gz ZYNSXPSFNJSANF-IUODEOHRSA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178074704 473464658 /nfs/dbraw/zinc/46/46/58/473464658.db2.gz HNNQLSFHJXJABF-CYBMUJFWSA-N 1 2 338.371 2.730 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178144981 473469274 /nfs/dbraw/zinc/46/92/74/473469274.db2.gz AUCITUWUVQBQHV-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178144981 473469278 /nfs/dbraw/zinc/46/92/78/473469278.db2.gz AUCITUWUVQBQHV-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO Cc1c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000191170326 473497545 /nfs/dbraw/zinc/49/75/45/473497545.db2.gz DGYSAWUPWXDKAY-MRXNPFEDSA-N 1 2 332.429 2.927 20 5 EFBDLO Cc1c(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000191170326 473497550 /nfs/dbraw/zinc/49/75/50/473497550.db2.gz DGYSAWUPWXDKAY-MRXNPFEDSA-N 1 2 332.429 2.927 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152114824 473525868 /nfs/dbraw/zinc/52/58/68/473525868.db2.gz NYGYEHXDURDZBY-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152114824 473525874 /nfs/dbraw/zinc/52/58/74/473525874.db2.gz NYGYEHXDURDZBY-CQSZACIVSA-N 1 2 327.388 2.970 20 5 EFBDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000185832937 473526604 /nfs/dbraw/zinc/52/66/04/473526604.db2.gz XHWNROHRKTYKKE-UHFFFAOYSA-N 1 2 341.415 2.830 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000115161795 473540895 /nfs/dbraw/zinc/54/08/95/473540895.db2.gz JNCSPOLVTLRXFH-UHFFFAOYSA-N 1 2 346.412 2.944 20 5 EFBDLO CC(C)c1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000127013186 473568184 /nfs/dbraw/zinc/56/81/84/473568184.db2.gz RVWYZKYIDZFPEY-LBPRGKRZSA-N 1 2 328.376 2.594 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170772373 473609519 /nfs/dbraw/zinc/60/95/19/473609519.db2.gz HGHUTBRBUFEJJK-QWRGUYRKSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCO[C@@H](C)C1 ZINC000170772373 473609522 /nfs/dbraw/zinc/60/95/22/473609522.db2.gz HGHUTBRBUFEJJK-QWRGUYRKSA-N 1 2 341.795 2.686 20 5 EFBDLO Cc1cccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000172517812 473631327 /nfs/dbraw/zinc/63/13/27/473631327.db2.gz BVQIFJKYBGWAFJ-UHFFFAOYSA-N 1 2 337.339 2.761 20 5 EFBDLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000170899216 473643203 /nfs/dbraw/zinc/64/32/03/473643203.db2.gz VJEBSBZPMHTOBY-CYBMUJFWSA-N 1 2 343.387 2.899 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116273152 473643677 /nfs/dbraw/zinc/64/36/77/473643677.db2.gz UIBDDXHKUWIMML-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116273152 473643682 /nfs/dbraw/zinc/64/36/82/473643682.db2.gz UIBDDXHKUWIMML-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO O=C1CCCN1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277712 473645249 /nfs/dbraw/zinc/64/52/49/473645249.db2.gz MPIGGTBUQCAKID-UHFFFAOYSA-N 1 2 337.807 2.835 20 5 EFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153938063 473652687 /nfs/dbraw/zinc/65/26/87/473652687.db2.gz DCDYPHYWDBSOOM-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153938063 473652690 /nfs/dbraw/zinc/65/26/90/473652690.db2.gz DCDYPHYWDBSOOM-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172594994 473653311 /nfs/dbraw/zinc/65/33/11/473653311.db2.gz GXWGVSZXWHGZIQ-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172594994 473653313 /nfs/dbraw/zinc/65/33/13/473653313.db2.gz GXWGVSZXWHGZIQ-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000127826401 473653991 /nfs/dbraw/zinc/65/39/91/473653991.db2.gz WMZBLYAOSOFAAY-WFASDCNBSA-N 1 2 329.360 2.906 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000192695173 473707718 /nfs/dbraw/zinc/70/77/18/473707718.db2.gz LVVIBBMAAZDJPQ-UHFFFAOYSA-N 1 2 347.394 2.581 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000274029949 473709817 /nfs/dbraw/zinc/70/98/17/473709817.db2.gz WVDPNTCMDDMPDG-CYBMUJFWSA-N 1 2 338.371 2.712 20 5 EFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000192766110 473721396 /nfs/dbraw/zinc/72/13/96/473721396.db2.gz AZMFXORZDLNQPG-HNNXBMFYSA-N 1 2 348.428 2.724 20 5 EFBDLO CC(C)c1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245792855 473748996 /nfs/dbraw/zinc/74/89/96/473748996.db2.gz WNJFELGFAQEBNW-STQMWFEESA-N 1 2 342.461 2.972 20 5 EFBDLO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245792855 473749003 /nfs/dbraw/zinc/74/90/03/473749003.db2.gz WNJFELGFAQEBNW-STQMWFEESA-N 1 2 342.461 2.972 20 5 EFBDLO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000180041498 473782776 /nfs/dbraw/zinc/78/27/76/473782776.db2.gz TWISAXAMBYGWDR-OAHLLOKOSA-N 1 2 338.404 2.930 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269682040 473858458 /nfs/dbraw/zinc/85/84/58/473858458.db2.gz YKPCZLSCVUQCJL-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269682040 473858466 /nfs/dbraw/zinc/85/84/66/473858466.db2.gz YKPCZLSCVUQCJL-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO COc1cc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000180410019 473870990 /nfs/dbraw/zinc/87/09/90/473870990.db2.gz MVAWSUWJEZCNNY-UHFFFAOYSA-N 1 2 332.360 2.921 20 5 EFBDLO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269845949 473895692 /nfs/dbraw/zinc/89/56/92/473895692.db2.gz DFEGNMGJBJPENV-AWEZNQCLSA-N 1 2 328.372 2.827 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269884138 473906145 /nfs/dbraw/zinc/90/61/45/473906145.db2.gz ZCDZJZOVLMKLJL-NSHDSACASA-N 1 2 346.774 2.652 20 5 EFBDLO CC[C@H](CSC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180575325 473910179 /nfs/dbraw/zinc/91/01/79/473910179.db2.gz LBKCKAJIXTWLLK-GFCCVEGCSA-N 1 2 334.401 2.652 20 5 EFBDLO CSC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000194614094 473925748 /nfs/dbraw/zinc/92/57/48/473925748.db2.gz JZTDUGYXMHJBKB-UHFFFAOYSA-N 1 2 346.412 2.796 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000274722245 473933209 /nfs/dbraw/zinc/93/32/09/473933209.db2.gz SKKLTBHSUJCZDX-UHFFFAOYSA-N 1 2 329.360 2.686 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000269971339 473939109 /nfs/dbraw/zinc/93/91/09/473939109.db2.gz LEWCDUXRTMMZHP-UHFFFAOYSA-N 1 2 342.355 2.909 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000264474953 474006171 /nfs/dbraw/zinc/00/61/71/474006171.db2.gz OQNZLKUXVJMPBI-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000195173598 474022111 /nfs/dbraw/zinc/02/21/11/474022111.db2.gz GQBZHVHIYAWRHZ-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000195173598 474022117 /nfs/dbraw/zinc/02/21/17/474022117.db2.gz GQBZHVHIYAWRHZ-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCc2occc2C1 ZINC000288847526 474070075 /nfs/dbraw/zinc/07/00/75/474070075.db2.gz PATMJMSATKMLFG-GFCCVEGCSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCc2occc2C1 ZINC000288847526 474070080 /nfs/dbraw/zinc/07/00/80/474070080.db2.gz PATMJMSATKMLFG-GFCCVEGCSA-N 1 2 329.356 2.963 20 5 EFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275182203 474096752 /nfs/dbraw/zinc/09/67/52/474096752.db2.gz AWACCBDKZFKDDS-GASCZTMLSA-N 1 2 327.340 2.946 20 5 EFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275182203 474096756 /nfs/dbraw/zinc/09/67/56/474096756.db2.gz AWACCBDKZFKDDS-GASCZTMLSA-N 1 2 327.340 2.946 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264724792 474104030 /nfs/dbraw/zinc/10/40/30/474104030.db2.gz LXVUOXKAIHXQRQ-LLVKDONJSA-N 1 2 345.359 2.738 20 5 EFBDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182173221 474114502 /nfs/dbraw/zinc/11/45/02/474114502.db2.gz ZOKPQHHHUOQNSC-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182173221 474114507 /nfs/dbraw/zinc/11/45/07/474114507.db2.gz ZOKPQHHHUOQNSC-UHFFFAOYSA-N 1 2 348.424 2.809 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1F ZINC000198839277 474120054 /nfs/dbraw/zinc/12/00/54/474120054.db2.gz IILVYQJHCMATIZ-AWEZNQCLSA-N 1 2 344.302 2.580 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000174993438 474128835 /nfs/dbraw/zinc/12/88/35/474128835.db2.gz ZNNOXVXWTGHNGB-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000174993438 474128843 /nfs/dbraw/zinc/12/88/43/474128843.db2.gz ZNNOXVXWTGHNGB-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182234799 474129465 /nfs/dbraw/zinc/12/94/65/474129465.db2.gz VTYOOTHDNQGSIZ-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182234799 474129466 /nfs/dbraw/zinc/12/94/66/474129466.db2.gz VTYOOTHDNQGSIZ-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO Cc1nn(C)c(NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000264808262 474134017 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1 2 338.314 2.923 20 5 EFBDLO Cc1cc(NCCn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000235893386 474270672 /nfs/dbraw/zinc/27/06/72/474270672.db2.gz DTQHWRCJPSYLPF-UHFFFAOYSA-N 1 2 325.166 2.974 20 5 EFBDLO Cc1cc(N[C@@H](C)c2ncn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275825701 474332685 /nfs/dbraw/zinc/33/26/85/474332685.db2.gz NQESTXIREDNTPT-NSHDSACASA-N 1 2 339.359 2.662 20 5 EFBDLO Cc1cc(N2CCC[C@](C)(O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270946511 474333887 /nfs/dbraw/zinc/33/38/87/474333887.db2.gz KWBXJZVOKXJAKF-KRWDZBQOSA-N 1 2 328.372 2.711 20 5 EFBDLO CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000265808333 474345189 /nfs/dbraw/zinc/34/51/89/474345189.db2.gz OUEYRICDDTYXMP-UHFFFAOYSA-N 1 2 342.399 2.650 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289669467 474371689 /nfs/dbraw/zinc/37/16/89/474371689.db2.gz FTHPOIKHJJSNLM-MNOVXSKESA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289669467 474371696 /nfs/dbraw/zinc/37/16/96/474371696.db2.gz FTHPOIKHJJSNLM-MNOVXSKESA-N 1 2 327.331 2.899 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000283616630 474450465 /nfs/dbraw/zinc/45/04/65/474450465.db2.gz SEVHTUKULPOEAS-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000289903238 474479089 /nfs/dbraw/zinc/47/90/89/474479089.db2.gz NGEAYSYGBQXAFG-GFCCVEGCSA-N 1 2 349.214 2.875 20 5 EFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000289903238 474479096 /nfs/dbraw/zinc/47/90/96/474479096.db2.gz NGEAYSYGBQXAFG-GFCCVEGCSA-N 1 2 349.214 2.875 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000276383827 474519944 /nfs/dbraw/zinc/51/99/44/474519944.db2.gz HDCDUACFCDHJPS-ZWNOBZJWSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000276383827 474519948 /nfs/dbraw/zinc/51/99/48/474519948.db2.gz HDCDUACFCDHJPS-ZWNOBZJWSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000276383821 474520819 /nfs/dbraw/zinc/52/08/19/474520819.db2.gz HDCDUACFCDHJPS-GXFFZTMASA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000276383821 474520823 /nfs/dbraw/zinc/52/08/23/474520823.db2.gz HDCDUACFCDHJPS-GXFFZTMASA-N 1 2 326.780 2.879 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029171 480110371 /nfs/dbraw/zinc/11/03/71/480110371.db2.gz IISFXCRZLJGBOL-UHFFFAOYSA-N 1 2 333.731 2.547 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(F)c1 ZINC000267017859 474565963 /nfs/dbraw/zinc/56/59/63/474565963.db2.gz JQOOFJLZONJGTD-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000284106075 474574030 /nfs/dbraw/zinc/57/40/30/474574030.db2.gz OWWZKFDIEAELME-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000284106075 474574033 /nfs/dbraw/zinc/57/40/33/474574033.db2.gz OWWZKFDIEAELME-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000184714394 474592890 /nfs/dbraw/zinc/59/28/90/474592890.db2.gz INPZOGBOFQJJSC-HWKANZROSA-N 1 2 338.411 2.821 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131205 480115020 /nfs/dbraw/zinc/11/50/20/480115020.db2.gz KBPKSXNVXUFFCZ-ZDUSSCGKSA-N 1 2 339.355 2.750 20 5 EFBDLO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184855843 474621919 /nfs/dbraw/zinc/62/19/19/474621919.db2.gz FDVRTMZUYOURDI-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000278425215 474640893 /nfs/dbraw/zinc/64/08/93/474640893.db2.gz OZZJPYQFHZMNPL-ZJUUUORDSA-N 1 2 348.325 2.530 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000273036520 474682115 /nfs/dbraw/zinc/68/21/15/474682115.db2.gz ZUAHGAAPLPLREG-HNNXBMFYSA-N 1 2 341.415 2.885 20 5 EFBDLO CC(C)[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1[nH]cc[nH+]1 ZINC000338879804 474695860 /nfs/dbraw/zinc/69/58/60/474695860.db2.gz IFMZUEWDQNZRFF-AWEZNQCLSA-N 1 2 327.344 2.926 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1O ZINC000253291748 474720694 /nfs/dbraw/zinc/72/06/94/474720694.db2.gz QXGLAJHZLUYQPV-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1O ZINC000253291748 474720701 /nfs/dbraw/zinc/72/07/01/474720701.db2.gz QXGLAJHZLUYQPV-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000273143534 474739711 /nfs/dbraw/zinc/73/97/11/474739711.db2.gz FPZUXLNFGMFMDB-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCNc1cccc[nH+]1 ZINC000254955663 474778219 /nfs/dbraw/zinc/77/82/19/474778219.db2.gz RAKKQLLJIAGYBR-YFHOEESVSA-N 1 2 326.356 2.621 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000268069289 474780161 /nfs/dbraw/zinc/78/01/61/474780161.db2.gz BXOZMPRCPPQDDZ-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1c([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cccc1[N+](=O)[O-] ZINC000305785302 474782144 /nfs/dbraw/zinc/78/21/44/474782144.db2.gz BMLMYJAYLXFXTG-ZDUSSCGKSA-N 1 2 330.388 2.900 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000273230534 474791505 /nfs/dbraw/zinc/79/15/05/474791505.db2.gz WUXYVPNEPWUXOF-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255073828 474800142 /nfs/dbraw/zinc/80/01/42/474800142.db2.gz AUZFSWVEDSRVKD-XQRVVYSFSA-N 1 2 345.428 2.590 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000255329164 474836142 /nfs/dbraw/zinc/83/61/42/474836142.db2.gz YJBXOEXBZCJMLH-UTQLBYGMSA-N 1 2 340.383 2.914 20 5 EFBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(F)c1 ZINC000292137750 474868253 /nfs/dbraw/zinc/86/82/53/474868253.db2.gz JGICIWMLACDWDF-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(F)c1 ZINC000292137750 474868262 /nfs/dbraw/zinc/86/82/62/474868262.db2.gz JGICIWMLACDWDF-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2[nH+]1 ZINC000341003958 474869512 /nfs/dbraw/zinc/86/95/12/474869512.db2.gz AWLYUOKZYLGANO-UHFFFAOYSA-N 1 2 339.355 2.800 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000345089539 474880309 /nfs/dbraw/zinc/88/03/09/474880309.db2.gz HTALCXOVTHBTQQ-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000345089539 474880318 /nfs/dbraw/zinc/88/03/18/474880318.db2.gz HTALCXOVTHBTQQ-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000339053512 474883271 /nfs/dbraw/zinc/88/32/71/474883271.db2.gz AVIRARHSEWOESA-STQMWFEESA-N 1 2 334.294 2.578 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000339053512 474883278 /nfs/dbraw/zinc/88/32/78/474883278.db2.gz AVIRARHSEWOESA-STQMWFEESA-N 1 2 334.294 2.578 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292169414 474883659 /nfs/dbraw/zinc/88/36/59/474883659.db2.gz PLOCQYXRBUORAF-CYBMUJFWSA-N 1 2 340.445 2.721 20 5 EFBDLO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000292206404 474904727 /nfs/dbraw/zinc/90/47/27/474904727.db2.gz MCCKNYOUBNXFOR-STQMWFEESA-N 1 2 348.321 2.670 20 5 EFBDLO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000292206404 474904735 /nfs/dbraw/zinc/90/47/35/474904735.db2.gz MCCKNYOUBNXFOR-STQMWFEESA-N 1 2 348.321 2.670 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000339079944 474909512 /nfs/dbraw/zinc/90/95/12/474909512.db2.gz OYQAJANMORTBJF-UHFFFAOYSA-N 1 2 336.779 2.987 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000268381871 474950262 /nfs/dbraw/zinc/95/02/62/474950262.db2.gz NPVKDESOYDUFJY-CJNGLKHVSA-N 1 2 328.372 2.823 20 5 EFBDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285321247 474971800 /nfs/dbraw/zinc/97/18/00/474971800.db2.gz TXBNCDOTWLDMGE-OTYXRUKQSA-N 1 2 337.326 2.839 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000285319668 474971876 /nfs/dbraw/zinc/97/18/76/474971876.db2.gz NNUCZLJJPKXAMV-MWLCHTKSSA-N 1 2 328.315 2.504 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000285319668 474971881 /nfs/dbraw/zinc/97/18/81/474971881.db2.gz NNUCZLJJPKXAMV-MWLCHTKSSA-N 1 2 328.315 2.504 20 5 EFBDLO COC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293464360 474993441 /nfs/dbraw/zinc/99/34/41/474993441.db2.gz LJGQNEKVDRLLEC-UHFFFAOYSA-N 1 2 346.305 2.999 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000337415000 474994424 /nfs/dbraw/zinc/99/44/24/474994424.db2.gz QWONLMQQVQFXQB-CYBMUJFWSA-N 1 2 346.836 2.647 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000337415000 474994432 /nfs/dbraw/zinc/99/44/32/474994432.db2.gz QWONLMQQVQFXQB-CYBMUJFWSA-N 1 2 346.836 2.647 20 5 EFBDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339262664 475095221 /nfs/dbraw/zinc/09/52/21/475095221.db2.gz IMNGTOXGYAIKRF-HNNXBMFYSA-N 1 2 339.823 2.985 20 5 EFBDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339262664 475095224 /nfs/dbraw/zinc/09/52/24/475095224.db2.gz IMNGTOXGYAIKRF-HNNXBMFYSA-N 1 2 339.823 2.985 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269020266 475129543 /nfs/dbraw/zinc/12/95/43/475129543.db2.gz OJSVHSKEKRAHGN-ZDUSSCGKSA-N 1 2 343.387 2.554 20 5 EFBDLO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000261995656 475141911 /nfs/dbraw/zinc/14/19/11/475141911.db2.gz NPPSHMIROWCQKO-OAHLLOKOSA-N 1 2 343.383 2.854 20 5 EFBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341613188 475185196 /nfs/dbraw/zinc/18/51/96/475185196.db2.gz IQFVVTSCFPXAMV-NSHDSACASA-N 1 2 337.326 2.728 20 5 EFBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341613188 475185202 /nfs/dbraw/zinc/18/52/02/475185202.db2.gz IQFVVTSCFPXAMV-NSHDSACASA-N 1 2 337.326 2.728 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296149092 475209065 /nfs/dbraw/zinc/20/90/65/475209065.db2.gz KJBKRJASMHOHAS-ROJDOSBLSA-N 1 2 340.383 2.951 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000341684968 475222289 /nfs/dbraw/zinc/22/22/89/475222289.db2.gz CBBZBOGQAUZPHA-CYBMUJFWSA-N 1 2 334.763 2.863 20 5 EFBDLO CCN(CC)c1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000341724342 475252033 /nfs/dbraw/zinc/25/20/33/475252033.db2.gz WBLWOHXMNRGNLL-UHFFFAOYSA-N 1 2 343.387 2.547 20 5 EFBDLO CCOCCN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352600 475257001 /nfs/dbraw/zinc/25/70/01/475257001.db2.gz FKYPXRJZZDIMBJ-DTQAZKPQSA-N 1 2 333.432 2.652 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000296323871 475269388 /nfs/dbraw/zinc/26/93/88/475269388.db2.gz GZGWSULKHHGTPR-JTQLQIEISA-N 1 2 331.376 2.840 20 5 EFBDLO Cn1c[nH+]cc1Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000357937631 475275498 /nfs/dbraw/zinc/27/54/98/475275498.db2.gz QGMXMKWCKHXOSW-HWKANZROSA-N 1 2 329.291 2.612 20 5 EFBDLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000339542746 475290526 /nfs/dbraw/zinc/29/05/26/475290526.db2.gz ZTQQPZOUTNZLBC-OCCSQVGLSA-N 1 2 343.387 2.588 20 5 EFBDLO CC(C)CSCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339572223 475316371 /nfs/dbraw/zinc/31/63/71/475316371.db2.gz BFRFFCHZKNHVSJ-UHFFFAOYSA-N 1 2 348.428 2.900 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000331721133 475391975 /nfs/dbraw/zinc/39/19/75/475391975.db2.gz JDWIRAGAKUQRAV-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cc(NCCOCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000341926402 475418887 /nfs/dbraw/zinc/41/88/87/475418887.db2.gz BIASZRSXGBMMQG-UHFFFAOYSA-N 1 2 328.372 2.621 20 5 EFBDLO COC(=O)[C@H](C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339702389 475425295 /nfs/dbraw/zinc/42/52/95/475425295.db2.gz NNKJKKGFFIKPJA-LLVKDONJSA-N 1 2 344.371 2.606 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953491 475466957 /nfs/dbraw/zinc/46/69/57/475466957.db2.gz KVIFXSBTXDXFCJ-XFJVYGCCSA-N 1 2 334.372 2.607 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953491 475466969 /nfs/dbraw/zinc/46/69/69/475466969.db2.gz KVIFXSBTXDXFCJ-XFJVYGCCSA-N 1 2 334.372 2.607 20 5 EFBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352667263 475510849 /nfs/dbraw/zinc/51/08/49/475510849.db2.gz JOXNRRAANFZADG-RHSMWYFYSA-N 1 2 349.431 2.533 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCCO3)CCO2 ZINC000352675339 475518714 /nfs/dbraw/zinc/51/87/14/475518714.db2.gz FZPDHLVJPZEFFS-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCCO3)CCO2 ZINC000352675339 475518723 /nfs/dbraw/zinc/51/87/23/475518723.db2.gz FZPDHLVJPZEFFS-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361530658 475523931 /nfs/dbraw/zinc/52/39/31/475523931.db2.gz ZZDLLCCFTHYGJB-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361530658 475523941 /nfs/dbraw/zinc/52/39/41/475523941.db2.gz ZZDLLCCFTHYGJB-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000361561528 475550227 /nfs/dbraw/zinc/55/02/27/475550227.db2.gz FTCBCAXXBMFYFG-LBPRGKRZSA-N 1 2 346.362 2.562 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000332230077 475566889 /nfs/dbraw/zinc/56/68/89/475566889.db2.gz LVCWPOBYODLIJW-NSHDSACASA-N 1 2 348.428 2.895 20 5 EFBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnn(C)c1 ZINC000348310748 475583552 /nfs/dbraw/zinc/58/35/52/475583552.db2.gz RCSPQJBUZOMSDG-NSHDSACASA-N 1 2 327.344 2.834 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CCCc2ccccc2)nc1 ZINC000346376863 475592409 /nfs/dbraw/zinc/59/24/09/475592409.db2.gz AJPSWMIXYZYUOR-UHFFFAOYSA-N 1 2 338.371 2.826 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@H](C)C1 ZINC000332299756 475593435 /nfs/dbraw/zinc/59/34/35/475593435.db2.gz HCHOFOPCBRYZME-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@H](C)C1 ZINC000332299756 475593443 /nfs/dbraw/zinc/59/34/43/475593443.db2.gz HCHOFOPCBRYZME-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782345 475619554 /nfs/dbraw/zinc/61/95/54/475619554.db2.gz CXQSCUSJDSGAGH-CQSZACIVSA-N 1 2 325.328 2.508 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000346516860 475627391 /nfs/dbraw/zinc/62/73/91/475627391.db2.gz GIXOOCRGBAKMBP-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000346516860 475627398 /nfs/dbraw/zinc/62/73/98/475627398.db2.gz GIXOOCRGBAKMBP-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)s1 ZINC000332417557 475630915 /nfs/dbraw/zinc/63/09/15/475630915.db2.gz NYDPJBZXGAVPHR-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]ccc1OC ZINC000348433771 475664001 /nfs/dbraw/zinc/66/40/01/475664001.db2.gz WEFDDKBGWVXQEM-CQSZACIVSA-N 1 2 343.383 2.884 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000332620203 475690956 /nfs/dbraw/zinc/69/09/56/475690956.db2.gz HORZAQHJOJXLGJ-CYBMUJFWSA-N 1 2 342.399 2.834 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000332657163 475703424 /nfs/dbraw/zinc/70/34/24/475703424.db2.gz OQHNWYZEDREXBH-CYBMUJFWSA-N 1 2 342.399 2.834 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348543432 475744055 /nfs/dbraw/zinc/74/40/55/475744055.db2.gz IUMLCUVAVRSQLB-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348543432 475744063 /nfs/dbraw/zinc/74/40/63/475744063.db2.gz IUMLCUVAVRSQLB-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)c(F)c1 ZINC000355213914 475749452 /nfs/dbraw/zinc/74/94/52/475749452.db2.gz GGMBKKHEMNMCET-UHFFFAOYSA-N 1 2 327.319 2.604 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343121955 475786666 /nfs/dbraw/zinc/78/66/66/475786666.db2.gz ULIMTGQVPFKEDK-UHFFFAOYSA-N 1 2 330.388 2.618 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000297545146 475800577 /nfs/dbraw/zinc/80/05/77/475800577.db2.gz QIXLQPDCXYBBPA-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192579 475845321 /nfs/dbraw/zinc/84/53/21/475845321.db2.gz NVCIAIXFJDQIFG-FZMZJTMJSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192579 475845327 /nfs/dbraw/zinc/84/53/27/475845327.db2.gz NVCIAIXFJDQIFG-FZMZJTMJSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000297705643 475861469 /nfs/dbraw/zinc/86/14/69/475861469.db2.gz HVJUHHPGKUTIDP-UHFFFAOYSA-N 1 2 343.330 2.519 20 5 EFBDLO Cc1cc(N(CCO)CC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343227647 475869463 /nfs/dbraw/zinc/86/94/63/475869463.db2.gz VEDKQHSAQJBSRS-UHFFFAOYSA-N 1 2 328.372 2.569 20 5 EFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340230955 475874094 /nfs/dbraw/zinc/87/40/94/475874094.db2.gz MPUHFXCSVWPLJP-MRXNPFEDSA-N 1 2 341.346 2.774 20 5 EFBDLO COC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355385055 475890518 /nfs/dbraw/zinc/89/05/18/475890518.db2.gz VYYZQXICYFVLAA-MNOVXSKESA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355385055 475890523 /nfs/dbraw/zinc/89/05/23/475890523.db2.gz VYYZQXICYFVLAA-MNOVXSKESA-N 1 2 326.780 2.879 20 5 EFBDLO Cc1cc(N(C)[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343260170 475898892 /nfs/dbraw/zinc/89/88/92/475898892.db2.gz ANWZMMWOIWQFHA-HNNXBMFYSA-N 1 2 328.372 2.975 20 5 EFBDLO C[NH+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000346871986 475927918 /nfs/dbraw/zinc/92/79/18/475927918.db2.gz QYESAPIOTUKQIR-INIZCTEOSA-N 1 2 339.355 2.615 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353390204 475929947 /nfs/dbraw/zinc/92/99/47/475929947.db2.gz ZCJBFFXXQNFELA-QGZVFWFLSA-N 1 2 344.415 2.967 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000353459485 475987229 /nfs/dbraw/zinc/98/72/29/475987229.db2.gz IABPIKILKXAGSJ-CQSZACIVSA-N 1 2 329.385 2.664 20 5 EFBDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355513631 475998003 /nfs/dbraw/zinc/99/80/03/475998003.db2.gz OPWKOODBXWXFJZ-FNORWQNLSA-N 1 2 343.427 2.941 20 5 EFBDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355513631 475998008 /nfs/dbraw/zinc/99/80/08/475998008.db2.gz OPWKOODBXWXFJZ-FNORWQNLSA-N 1 2 343.427 2.941 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C(F)F ZINC000343373678 475998473 /nfs/dbraw/zinc/99/84/73/475998473.db2.gz DUZGZRQYZTXPEC-LBPRGKRZSA-N 1 2 336.298 2.650 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000346978585 476006332 /nfs/dbraw/zinc/00/63/32/476006332.db2.gz UBFXRAMDMBFNEG-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000346978585 476006341 /nfs/dbraw/zinc/00/63/41/476006341.db2.gz UBFXRAMDMBFNEG-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000338574630 476019756 /nfs/dbraw/zinc/01/97/56/476019756.db2.gz IVIMEOUGCGNBFV-UHFFFAOYSA-N 1 2 346.387 2.776 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000355549075 476023840 /nfs/dbraw/zinc/02/38/40/476023840.db2.gz VEUOFHQAMBYTDD-OAHLLOKOSA-N 1 2 348.378 2.649 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000355549075 476023849 /nfs/dbraw/zinc/02/38/49/476023849.db2.gz VEUOFHQAMBYTDD-OAHLLOKOSA-N 1 2 348.378 2.649 20 5 EFBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353517919 476039541 /nfs/dbraw/zinc/03/95/41/476039541.db2.gz KVYNHRBNXZJXSY-JKSUJKDBSA-N 1 2 332.404 2.678 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353531281 476050830 /nfs/dbraw/zinc/05/08/30/476050830.db2.gz NZSQELIXLFYSMR-JKSUJKDBSA-N 1 2 346.431 2.804 20 5 EFBDLO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000362182462 476055133 /nfs/dbraw/zinc/05/51/33/476055133.db2.gz QQZMHLIQHAHWGD-CQSZACIVSA-N 1 2 338.310 2.705 20 5 EFBDLO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343443157 476068581 /nfs/dbraw/zinc/06/85/81/476068581.db2.gz USXATGCWCSHTKU-NUEKZKHPSA-N 1 2 340.383 2.567 20 5 EFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000350149110 476068635 /nfs/dbraw/zinc/06/86/35/476068635.db2.gz UMTNVGXCTIGOEF-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338663391 476095276 /nfs/dbraw/zinc/09/52/76/476095276.db2.gz PQVRSRXWEXRZKZ-UHFFFAOYSA-N 1 2 347.337 2.690 20 5 EFBDLO Cc1cc(N[C@@H]2CCO[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340567912 476110947 /nfs/dbraw/zinc/11/09/47/476110947.db2.gz CMJBVRPLHBAIQL-WBVHZDCISA-N 1 2 340.383 2.762 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000340583095 476121609 /nfs/dbraw/zinc/12/16/09/476121609.db2.gz UMMCNAGWAMEXPM-ZDUSSCGKSA-N 1 2 335.310 2.921 20 5 EFBDLO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000301618797 476171526 /nfs/dbraw/zinc/17/15/26/476171526.db2.gz DEVLLTJQRFAVGO-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000301618797 476171532 /nfs/dbraw/zinc/17/15/32/476171532.db2.gz DEVLLTJQRFAVGO-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)nc1-c1ccc(F)cc1 ZINC000362349301 476187813 /nfs/dbraw/zinc/18/78/13/476187813.db2.gz UGMPLJCZBIHPOK-UHFFFAOYSA-N 1 2 327.319 2.526 20 5 EFBDLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353685742 476188244 /nfs/dbraw/zinc/18/82/44/476188244.db2.gz OGJSELAIRJXREY-GFCCVEGCSA-N 1 2 347.371 2.676 20 5 EFBDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353685742 476188252 /nfs/dbraw/zinc/18/82/52/476188252.db2.gz OGJSELAIRJXREY-GFCCVEGCSA-N 1 2 347.371 2.676 20 5 EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359105618 476194028 /nfs/dbraw/zinc/19/40/28/476194028.db2.gz MVFIJWYFIRDPPT-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347257556 476210371 /nfs/dbraw/zinc/21/03/71/476210371.db2.gz JIAAHKNJZZLTQU-UHFFFAOYSA-N 1 2 347.350 2.931 20 5 EFBDLO CN(Cc1cscn1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350517919 476227193 /nfs/dbraw/zinc/22/71/93/476227193.db2.gz ZAIDCOJTHANFFQ-UHFFFAOYSA-N 1 2 348.428 2.520 20 5 EFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000304343197 476280306 /nfs/dbraw/zinc/28/03/06/476280306.db2.gz XGVPRZMQYFEESM-MRXNPFEDSA-N 1 2 339.351 2.898 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362526797 476297682 /nfs/dbraw/zinc/29/76/82/476297682.db2.gz VIVNPNBHMCNTBW-MAVJXHJTSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362526797 476297684 /nfs/dbraw/zinc/29/76/84/476297684.db2.gz VIVNPNBHMCNTBW-MAVJXHJTSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351021394 476323736 /nfs/dbraw/zinc/32/37/36/476323736.db2.gz DZLCAPNYODFAMA-UONOGXRCSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351021394 476323739 /nfs/dbraw/zinc/32/37/39/476323739.db2.gz DZLCAPNYODFAMA-UONOGXRCSA-N 1 2 330.344 2.571 20 5 EFBDLO COC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351057356 476328817 /nfs/dbraw/zinc/32/88/17/476328817.db2.gz ODCWSEQNNKMTJX-UHFFFAOYSA-N 1 2 329.316 2.712 20 5 EFBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000362682168 476349411 /nfs/dbraw/zinc/34/94/11/476349411.db2.gz WZACMDVVROJUJQ-LBPRGKRZSA-N 1 2 345.346 2.719 20 5 EFBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000362682168 476349413 /nfs/dbraw/zinc/34/94/13/476349413.db2.gz WZACMDVVROJUJQ-LBPRGKRZSA-N 1 2 345.346 2.719 20 5 EFBDLO Cc1cc(NC[C@@]2(C)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000354090550 476418581 /nfs/dbraw/zinc/41/85/81/476418581.db2.gz IWEGVAAEYPMMCS-QGZVFWFLSA-N 1 2 328.372 2.621 20 5 EFBDLO COC(=O)c1cc(C)nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000357535675 476437958 /nfs/dbraw/zinc/43/79/58/476437958.db2.gz PPBIUDNXGXHMDO-NSHDSACASA-N 1 2 333.348 2.617 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ncccc2F)CC1 ZINC000354122243 476443197 /nfs/dbraw/zinc/44/31/97/476443197.db2.gz YGDWKIPOOQPZKQ-XQRVVYSFSA-N 1 2 342.374 2.964 20 5 EFBDLO COC[C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351477343 476472397 /nfs/dbraw/zinc/47/23/97/476472397.db2.gz NZPDNVVZHYIZSK-LLVKDONJSA-N 1 2 343.343 2.656 20 5 EFBDLO CCOc1cc(C(=O)Nc2cc[nH+]cc2CC)c([N+](=O)[O-])cc1OC ZINC000357597415 476479384 /nfs/dbraw/zinc/47/93/84/476479384.db2.gz RBLBPXCABNNLSI-UHFFFAOYSA-N 1 2 345.355 2.634 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000360929103 476483016 /nfs/dbraw/zinc/48/30/16/476483016.db2.gz CRVWYXBVSVUWIK-DZGCQCFKSA-N 1 2 330.388 2.565 20 5 EFBDLO CNc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000360952287 476498789 /nfs/dbraw/zinc/49/87/89/476498789.db2.gz YTRIBNLJKTZEBB-DOMZBBRYSA-N 1 2 343.387 2.556 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354236884 476528862 /nfs/dbraw/zinc/52/88/62/476528862.db2.gz FMYUYSPOYBZAKS-UHFFFAOYSA-N 1 2 335.323 2.654 20 5 EFBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000369821684 476541433 /nfs/dbraw/zinc/54/14/33/476541433.db2.gz HCVGHXANYYNSQY-NSHDSACASA-N 1 2 335.433 2.857 20 5 EFBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000369821684 476541442 /nfs/dbraw/zinc/54/14/42/476541442.db2.gz HCVGHXANYYNSQY-NSHDSACASA-N 1 2 335.433 2.857 20 5 EFBDLO O=C(C[N@@H+]1CC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363065276 476548034 /nfs/dbraw/zinc/54/80/34/476548034.db2.gz WRLLPDNMYQYVJL-HNNXBMFYSA-N 1 2 341.367 2.687 20 5 EFBDLO O=C(C[N@H+]1CC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363065276 476548039 /nfs/dbraw/zinc/54/80/39/476548039.db2.gz WRLLPDNMYQYVJL-HNNXBMFYSA-N 1 2 341.367 2.687 20 5 EFBDLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363065277 476548209 /nfs/dbraw/zinc/54/82/09/476548209.db2.gz WRLLPDNMYQYVJL-OAHLLOKOSA-N 1 2 341.367 2.687 20 5 EFBDLO O=C(C[N@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363065277 476548213 /nfs/dbraw/zinc/54/82/13/476548213.db2.gz WRLLPDNMYQYVJL-OAHLLOKOSA-N 1 2 341.367 2.687 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361061127 476574493 /nfs/dbraw/zinc/57/44/93/476574493.db2.gz YTMGKIMHLHWOLA-HNNXBMFYSA-N 1 2 327.340 2.850 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000363173203 476591009 /nfs/dbraw/zinc/59/10/09/476591009.db2.gz ZLSATWGZKYNKLN-UHFFFAOYSA-N 1 2 334.351 2.511 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cn2c1 ZINC000361116282 476611149 /nfs/dbraw/zinc/61/11/49/476611149.db2.gz QXVZIFUDSSPZGH-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000352321605 476634872 /nfs/dbraw/zinc/63/48/72/476634872.db2.gz ZFZOJCYVUWWHCX-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000370044439 476645564 /nfs/dbraw/zinc/64/55/64/476645564.db2.gz CYJUTKVGXSMGPE-CYBMUJFWSA-N 1 2 346.362 2.562 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000370044439 476645568 /nfs/dbraw/zinc/64/55/68/476645568.db2.gz CYJUTKVGXSMGPE-CYBMUJFWSA-N 1 2 346.362 2.562 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000365698235 476675470 /nfs/dbraw/zinc/67/54/70/476675470.db2.gz NMHIQDRZCMRICR-UHFFFAOYSA-N 1 2 346.412 2.948 20 5 EFBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000354525922 476709955 /nfs/dbraw/zinc/70/99/55/476709955.db2.gz JDSLJCBPGLAGSY-UHFFFAOYSA-N 1 2 345.346 2.719 20 5 EFBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000354525922 476709965 /nfs/dbraw/zinc/70/99/65/476709965.db2.gz JDSLJCBPGLAGSY-UHFFFAOYSA-N 1 2 345.346 2.719 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000430205133 476781317 /nfs/dbraw/zinc/78/13/17/476781317.db2.gz IMYDVKPBGKRORU-UHFFFAOYSA-N 1 2 331.372 2.514 20 5 EFBDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452037793 476786765 /nfs/dbraw/zinc/78/67/65/476786765.db2.gz LITSTBVRODVMCP-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452037793 476786771 /nfs/dbraw/zinc/78/67/71/476786771.db2.gz LITSTBVRODVMCP-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000452038310 476788103 /nfs/dbraw/zinc/78/81/03/476788103.db2.gz DLZBGPFYSKEXSG-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[nH+]1 ZINC000452039471 476788156 /nfs/dbraw/zinc/78/81/56/476788156.db2.gz GSLAHIZNYNMXJP-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242948 476788986 /nfs/dbraw/zinc/78/89/86/476788986.db2.gz JVLAUJKSTPOAMK-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242948 476788990 /nfs/dbraw/zinc/78/89/90/476788990.db2.gz JVLAUJKSTPOAMK-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000413954984 476807034 /nfs/dbraw/zinc/80/70/34/476807034.db2.gz MANLXWIKJWKMKP-CYBMUJFWSA-N 1 2 329.356 2.534 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000413954984 476807040 /nfs/dbraw/zinc/80/70/40/476807040.db2.gz MANLXWIKJWKMKP-CYBMUJFWSA-N 1 2 329.356 2.534 20 5 EFBDLO CC1(C)C[C@H]([NH2+]Cc2nc3ncccn3n2)c2cc([N+](=O)[O-])ccc21 ZINC000414276075 476877438 /nfs/dbraw/zinc/87/74/38/476877438.db2.gz SNSSEGXJEKEFJH-AWEZNQCLSA-N 1 2 338.371 2.545 20 5 EFBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(C)C ZINC000416039753 476999756 /nfs/dbraw/zinc/99/97/56/476999756.db2.gz GOAJZLKOMAWACV-AWEZNQCLSA-N 1 2 346.387 2.571 20 5 EFBDLO C[C@H]1[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000416065633 477008473 /nfs/dbraw/zinc/00/84/73/477008473.db2.gz HMLKGROTJWYJSJ-JHJVBQTASA-N 1 2 328.372 2.897 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000370867069 477015485 /nfs/dbraw/zinc/01/54/85/477015485.db2.gz ADYBHFSQALMISH-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000370954500 477054290 /nfs/dbraw/zinc/05/42/90/477054290.db2.gz TYTMENAKZNMZOW-OAHLLOKOSA-N 1 2 342.399 2.644 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000410795148 477059312 /nfs/dbraw/zinc/05/93/12/477059312.db2.gz AHSILYYOXDPBIF-UHFFFAOYSA-N 1 2 331.294 2.650 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCC2 ZINC000370961373 477059346 /nfs/dbraw/zinc/05/93/46/477059346.db2.gz UOSARLAEWKFGBA-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000452756423 477073615 /nfs/dbraw/zinc/07/36/15/477073615.db2.gz NUBSYEOCRQPLBL-UHFFFAOYSA-N 1 2 330.344 2.535 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000371043001 477094697 /nfs/dbraw/zinc/09/46/97/477094697.db2.gz LFHCYRNIIPVWTB-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO CCNc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000411051716 477097403 /nfs/dbraw/zinc/09/74/03/477097403.db2.gz ICNBQLNWWQRAFV-NSHDSACASA-N 1 2 331.376 2.734 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376077178 477163530 /nfs/dbraw/zinc/16/35/30/477163530.db2.gz FJDOEWWGXUMNHY-UHFFFAOYSA-N 1 2 337.339 2.990 20 5 EFBDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000411297673 477184925 /nfs/dbraw/zinc/18/49/25/477184925.db2.gz MQDNEKBHGZYYEK-LLVKDONJSA-N 1 2 331.376 2.626 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000366938873 477267420 /nfs/dbraw/zinc/26/74/20/477267420.db2.gz RYGSPRAZDKEGND-CYBMUJFWSA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000366938873 477267423 /nfs/dbraw/zinc/26/74/23/477267423.db2.gz RYGSPRAZDKEGND-CYBMUJFWSA-N 1 2 336.779 2.635 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000376318915 477281636 /nfs/dbraw/zinc/28/16/36/477281636.db2.gz MVBSRFHDTHZJAS-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO CC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000376394712 477313467 /nfs/dbraw/zinc/31/34/67/477313467.db2.gz IEUBQAXLTFRKEB-WMZOPIPTSA-N 1 2 347.415 2.853 20 5 EFBDLO CC1(C)C[C@@H]([NH2+]Cc2nnnn2CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433237302 477318445 /nfs/dbraw/zinc/31/84/45/477318445.db2.gz VSZZTXMLYLSQKB-OAHLLOKOSA-N 1 2 342.403 2.504 20 5 EFBDLO Cc1c(CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454853324 477405364 /nfs/dbraw/zinc/40/53/64/477405364.db2.gz KUSUYAAHUJLRBG-ZWNOBZJWSA-N 1 2 329.360 2.605 20 5 EFBDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454945028 477439831 /nfs/dbraw/zinc/43/98/31/477439831.db2.gz PVOJYKWHBAAESK-XHDPSFHLSA-N 1 2 343.387 2.840 20 5 EFBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376644171 477442530 /nfs/dbraw/zinc/44/25/30/477442530.db2.gz RIWOBAJHIZDHLC-UHFFFAOYSA-N 1 2 344.375 2.672 20 5 EFBDLO O=C1[C@H]([N@@H+]2CCCc3occc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367321402 477452106 /nfs/dbraw/zinc/45/21/06/477452106.db2.gz GQJLUBMVGHOLQS-MRXNPFEDSA-N 1 2 341.367 2.742 20 5 EFBDLO O=C1[C@H]([N@H+]2CCCc3occc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367321402 477452111 /nfs/dbraw/zinc/45/21/11/477452111.db2.gz GQJLUBMVGHOLQS-MRXNPFEDSA-N 1 2 341.367 2.742 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000413022993 477474061 /nfs/dbraw/zinc/47/40/61/477474061.db2.gz HMXGSAIFDBDURX-DAXSKMNVSA-N 1 2 342.374 2.964 20 5 EFBDLO CC(C)C(=O)NC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413057533 477491367 /nfs/dbraw/zinc/49/13/67/477491367.db2.gz YCIOLJXHVJNBLX-UHFFFAOYSA-N 1 2 342.399 2.884 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367454719 477519544 /nfs/dbraw/zinc/51/95/44/477519544.db2.gz VKRPIHUGYCVKPG-CQSZACIVSA-N 1 2 342.399 2.883 20 5 EFBDLO COc1nccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000449287127 477524892 /nfs/dbraw/zinc/52/48/92/477524892.db2.gz JNYBTFOSKOAWNI-UHFFFAOYSA-N 1 2 342.277 2.702 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC000371849088 477525497 /nfs/dbraw/zinc/52/54/97/477525497.db2.gz CZFPAJFLNJRRAA-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000413219980 477576821 /nfs/dbraw/zinc/57/68/21/477576821.db2.gz NRFAMMCCLZAGSC-CXAGYDPISA-N 1 2 329.356 2.893 20 5 EFBDLO Cc1ccc(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[nH+]c1 ZINC000413357787 477644384 /nfs/dbraw/zinc/64/43/84/477644384.db2.gz VYHQIMRYVSLNAJ-UHFFFAOYSA-N 1 2 340.383 2.845 20 5 EFBDLO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436976675 477654750 /nfs/dbraw/zinc/65/47/50/477654750.db2.gz AINOBXDXJOFTHB-UHFFFAOYSA-N 1 2 329.356 2.657 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000455488285 477656304 /nfs/dbraw/zinc/65/63/04/477656304.db2.gz RDSXZOOSKHTJRT-ZDUSSCGKSA-N 1 2 345.403 2.756 20 5 EFBDLO Cc1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])ccn1 ZINC000450622061 477657324 /nfs/dbraw/zinc/65/73/24/477657324.db2.gz NMBJCZOVJQGJRJ-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC2(CC2)C1 ZINC000450711735 477693094 /nfs/dbraw/zinc/69/30/94/477693094.db2.gz PLCVVBHZMPHSMR-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO COCC[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413486474 477697440 /nfs/dbraw/zinc/69/74/40/477697440.db2.gz BASDRITZQUHFHY-AWEZNQCLSA-N 1 2 337.420 2.512 20 5 EFBDLO O=C1N=NC(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)O1 ZINC000450918298 477761818 /nfs/dbraw/zinc/76/18/18/477761818.db2.gz IDPOXZFKDPRLCW-UHFFFAOYSA-N 1 2 338.751 2.716 20 5 EFBDLO O=c1[nH]nc(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)o1 ZINC000450918298 477761822 /nfs/dbraw/zinc/76/18/22/477761822.db2.gz IDPOXZFKDPRLCW-UHFFFAOYSA-N 1 2 338.751 2.716 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000456173436 477807410 /nfs/dbraw/zinc/80/74/10/477807410.db2.gz GIBKKYIXGYMLKJ-GFCCVEGCSA-N 1 2 343.387 2.813 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000456194482 477814229 /nfs/dbraw/zinc/81/42/29/477814229.db2.gz VEYFHAHRFMXRIH-GFCCVEGCSA-N 1 2 343.387 2.813 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1=O ZINC000428436332 477894499 /nfs/dbraw/zinc/89/44/99/477894499.db2.gz CAPGBIRXFKGCDY-ZDUSSCGKSA-N 1 2 343.383 2.907 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1=O ZINC000428436332 477894508 /nfs/dbraw/zinc/89/45/08/477894508.db2.gz CAPGBIRXFKGCDY-ZDUSSCGKSA-N 1 2 343.383 2.907 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456373911 477895350 /nfs/dbraw/zinc/89/53/50/477895350.db2.gz JINAIFFUKFXRSR-IINYFYTJSA-N 1 2 341.371 2.801 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456382257 477900380 /nfs/dbraw/zinc/90/03/80/477900380.db2.gz NASZAXKTVFDQAN-CABZTGNLSA-N 1 2 332.385 2.949 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000456401084 477914845 /nfs/dbraw/zinc/91/48/45/477914845.db2.gz VGVUKHBPSRFQBX-NSHDSACASA-N 1 2 334.401 2.781 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000456403066 477915852 /nfs/dbraw/zinc/91/58/52/477915852.db2.gz WJRYTMQXRPLVIT-NSHDSACASA-N 1 2 334.401 2.781 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456410339 477920845 /nfs/dbraw/zinc/92/08/45/477920845.db2.gz GGYIQDYVIDWCPO-FZMZJTMJSA-N 1 2 342.355 2.576 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456421632 477926544 /nfs/dbraw/zinc/92/65/44/477926544.db2.gz NOWULGWPPDEBCK-BMIGLBTASA-N 1 2 339.355 2.637 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456425482 477927031 /nfs/dbraw/zinc/92/70/31/477927031.db2.gz QANCUOXHXYSGAX-DGCLKSJQSA-N 1 2 328.372 2.891 20 5 EFBDLO CSc1cccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456430673 477929658 /nfs/dbraw/zinc/92/96/58/477929658.db2.gz SFVQGUJXNJUIST-ONGXEEELSA-N 1 2 332.385 2.949 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456440985 477935088 /nfs/dbraw/zinc/93/50/88/477935088.db2.gz YVLQUXGYZMAODA-GWCFXTLKSA-N 1 2 330.344 2.626 20 5 EFBDLO CCCc1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000559143348 477960967 /nfs/dbraw/zinc/96/09/67/477960967.db2.gz MFKZKMGDRXCHJO-UHFFFAOYSA-N 1 2 347.444 2.721 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000559833636 478002593 /nfs/dbraw/zinc/00/25/93/478002593.db2.gz CHDKPRDZPPGCED-UHFFFAOYSA-N 1 2 340.261 2.507 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000533016828 478022067 /nfs/dbraw/zinc/02/20/67/478022067.db2.gz NGMSNXMPIRAPKO-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494714022 478053591 /nfs/dbraw/zinc/05/35/91/478053591.db2.gz YQNCGNZLINJZLA-HNNXBMFYSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494714022 478053599 /nfs/dbraw/zinc/05/35/99/478053599.db2.gz YQNCGNZLINJZLA-HNNXBMFYSA-N 1 2 347.415 2.733 20 5 EFBDLO COCCc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451546418 478081285 /nfs/dbraw/zinc/08/12/85/478081285.db2.gz JGVASRZSCMKGRG-CQSZACIVSA-N 1 2 346.387 2.546 20 5 EFBDLO COCCc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451546418 478081293 /nfs/dbraw/zinc/08/12/93/478081293.db2.gz JGVASRZSCMKGRG-CQSZACIVSA-N 1 2 346.387 2.546 20 5 EFBDLO CC(C)c1ccc(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000440310273 478104307 /nfs/dbraw/zinc/10/43/07/478104307.db2.gz DFEYWNYEYLNYAS-UHFFFAOYSA-N 1 2 328.372 2.955 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2(F)F)C1 ZINC000451841442 478221788 /nfs/dbraw/zinc/22/17/88/478221788.db2.gz DTHDFNITEOLAOY-UHFFFAOYSA-N 1 2 348.309 2.652 20 5 EFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536018068 478239254 /nfs/dbraw/zinc/23/92/54/478239254.db2.gz QARAONOMLRSVEW-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000519664682 478247401 /nfs/dbraw/zinc/24/74/01/478247401.db2.gz FYTYFCHCBPCGOR-UHFFFAOYSA-N 1 2 337.339 2.842 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC[C@@H]3C3CCC3)o2)cc1 ZINC000579469599 478305260 /nfs/dbraw/zinc/30/52/60/478305260.db2.gz ARZWYRWOJLUSJW-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC[C@@H]3C3CCC3)o2)cc1 ZINC000579469599 478305261 /nfs/dbraw/zinc/30/52/61/478305261.db2.gz ARZWYRWOJLUSJW-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO C[C@@H]1C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000520500545 478318286 /nfs/dbraw/zinc/31/82/86/478318286.db2.gz BEDBBOZFKULRMO-HUUCEWRRSA-N 1 2 349.431 2.654 20 5 EFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000590754375 478321540 /nfs/dbraw/zinc/32/15/40/478321540.db2.gz BSWJSYJEGBXVPR-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000590754375 478321546 /nfs/dbraw/zinc/32/15/46/478321546.db2.gz BSWJSYJEGBXVPR-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO C[C@H]1OCC[C@@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000579566728 478325503 /nfs/dbraw/zinc/32/55/03/478325503.db2.gz XLTOYCRWZRVVHU-SJKOYZFVSA-N 1 2 329.356 2.527 20 5 EFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597409255 478337456 /nfs/dbraw/zinc/33/74/56/478337456.db2.gz CKOGDAVGQONZSN-HZPDHXFCSA-N 1 2 340.383 2.623 20 5 EFBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000521301525 478372461 /nfs/dbraw/zinc/37/24/61/478372461.db2.gz SUWVMOVKKUPUIH-OAHLLOKOSA-N 1 2 349.434 2.848 20 5 EFBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000521301525 478372464 /nfs/dbraw/zinc/37/24/64/478372464.db2.gz SUWVMOVKKUPUIH-OAHLLOKOSA-N 1 2 349.434 2.848 20 5 EFBDLO CN(CCO)c1ccc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])[nH+]c1 ZINC000594498519 478411180 /nfs/dbraw/zinc/41/11/80/478411180.db2.gz RHPRRAVUYIOCOB-HNNXBMFYSA-N 1 2 328.372 2.518 20 5 EFBDLO CC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594507291 478417347 /nfs/dbraw/zinc/41/73/47/478417347.db2.gz CFTDGGLSWIAQOQ-UONOGXRCSA-N 1 2 331.376 2.805 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594512629 478419474 /nfs/dbraw/zinc/41/94/74/478419474.db2.gz VESSMZYDSKSFEP-INDWDQIESA-N 1 2 343.387 2.758 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594512629 478419486 /nfs/dbraw/zinc/41/94/86/478419486.db2.gz VESSMZYDSKSFEP-INDWDQIESA-N 1 2 343.387 2.758 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](C(F)(F)F)C3)c2c1 ZINC000591148022 478475964 /nfs/dbraw/zinc/47/59/64/478475964.db2.gz ULXIZILTTCLWBJ-LBPRGKRZSA-N 1 2 327.262 2.911 20 5 EFBDLO C[C@H]1OCC[C@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000591159723 478478560 /nfs/dbraw/zinc/47/85/60/478478560.db2.gz YTMBTVMJYQHBNY-VFVRVIDISA-N 1 2 343.383 2.916 20 5 EFBDLO C[C@H]1OCC[C@@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000591159721 478479686 /nfs/dbraw/zinc/47/96/86/478479686.db2.gz YTMBTVMJYQHBNY-SNUQEOBHSA-N 1 2 343.383 2.916 20 5 EFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000582037720 478494135 /nfs/dbraw/zinc/49/41/35/478494135.db2.gz IAOKVDSILRYCEN-KBPBESRZSA-N 1 2 334.351 2.916 20 5 EFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000582037720 478494143 /nfs/dbraw/zinc/49/41/43/478494143.db2.gz IAOKVDSILRYCEN-KBPBESRZSA-N 1 2 334.351 2.916 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000491290205 478499892 /nfs/dbraw/zinc/49/98/92/478499892.db2.gz AXLYMQVAXPWYHL-ALCCZGGFSA-N 1 2 340.314 2.711 20 5 EFBDLO Cc1cccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000597940764 478587501 /nfs/dbraw/zinc/58/75/01/478587501.db2.gz KQAFGODMNCKSEX-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000597942431 478589528 /nfs/dbraw/zinc/58/95/28/478589528.db2.gz YJOUJCLJCAHNRR-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c[nH+]1 ZINC000600998613 478604860 /nfs/dbraw/zinc/60/48/60/478604860.db2.gz KAEKMDKWEFLIRG-UHFFFAOYSA-N 1 2 346.362 2.905 20 5 EFBDLO CCc1cc(N[C@H](C)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000541921419 478614668 /nfs/dbraw/zinc/61/46/68/478614668.db2.gz HDOKZWXLPQVGCX-OCCSQVGLSA-N 1 2 342.399 2.873 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000595028558 478634386 /nfs/dbraw/zinc/63/43/86/478634386.db2.gz DOXWBGPHZQHMQD-LBPRGKRZSA-N 1 2 346.387 2.600 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000595040767 478639282 /nfs/dbraw/zinc/63/92/82/478639282.db2.gz WTUBRMWFZFMZKC-NSHDSACASA-N 1 2 333.392 2.801 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664049 478656021 /nfs/dbraw/zinc/65/60/21/478656021.db2.gz VFWUVEVXFLNNGL-GXTWGEPZSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664049 478656027 /nfs/dbraw/zinc/65/60/27/478656027.db2.gz VFWUVEVXFLNNGL-GXTWGEPZSA-N 1 2 347.415 2.874 20 5 EFBDLO NC(=O)c1csc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595089154 478656460 /nfs/dbraw/zinc/65/64/60/478656460.db2.gz ZGNRDJSPKYXQRO-ZDUSSCGKSA-N 1 2 346.412 2.708 20 5 EFBDLO CC(C)(C)OCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598181321 478693967 /nfs/dbraw/zinc/69/39/67/478693967.db2.gz BWLNYOYPNWTLNN-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO Cc1noc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595294284 478717221 /nfs/dbraw/zinc/71/72/21/478717221.db2.gz KGNHYMWIKHVEFH-UHFFFAOYSA-N 1 2 336.779 2.867 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595301102 478722125 /nfs/dbraw/zinc/72/21/25/478722125.db2.gz INDJMGHLOWHVNO-INIZCTEOSA-N 1 2 343.358 2.797 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595301102 478722134 /nfs/dbraw/zinc/72/21/34/478722134.db2.gz INDJMGHLOWHVNO-INIZCTEOSA-N 1 2 343.358 2.797 20 5 EFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595316924 478728314 /nfs/dbraw/zinc/72/83/14/478728314.db2.gz BREGLSZZFBOWHV-KRWDZBQOSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595316924 478728320 /nfs/dbraw/zinc/72/83/20/478728320.db2.gz BREGLSZZFBOWHV-KRWDZBQOSA-N 1 2 334.347 2.908 20 5 EFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595320308 478730752 /nfs/dbraw/zinc/73/07/52/478730752.db2.gz SWRXPTAUTBWHHI-HNNXBMFYSA-N 1 2 347.346 2.608 20 5 EFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595320308 478730758 /nfs/dbraw/zinc/73/07/58/478730758.db2.gz SWRXPTAUTBWHHI-HNNXBMFYSA-N 1 2 347.346 2.608 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC000601239801 478741828 /nfs/dbraw/zinc/74/18/28/478741828.db2.gz CGLQJGDLOMTDEQ-UHFFFAOYSA-N 1 2 349.391 2.689 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1cn2c(cccc2C)[nH+]1 ZINC000592006270 478742165 /nfs/dbraw/zinc/74/21/65/478742165.db2.gz LDSIDJVIVUYOSP-UHFFFAOYSA-N 1 2 328.376 2.730 20 5 EFBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595392139 478758903 /nfs/dbraw/zinc/75/89/03/478758903.db2.gz KOGFRJVSBRMJFA-IINYFYTJSA-N 1 2 333.344 2.531 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1[N+](=O)[O-] ZINC000595418875 478767917 /nfs/dbraw/zinc/76/79/17/478767917.db2.gz UTQBOMYYSGSOPG-LLVKDONJSA-N 1 2 327.344 2.928 20 5 EFBDLO CCSC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000598333848 478771341 /nfs/dbraw/zinc/77/13/41/478771341.db2.gz SOLLMARIYRAMFI-UHFFFAOYSA-N 1 2 346.412 2.796 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595428406 478774811 /nfs/dbraw/zinc/77/48/11/478774811.db2.gz CCZNFJNKBWMFTJ-NSHDSACASA-N 1 2 345.277 2.733 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483743 478812960 /nfs/dbraw/zinc/81/29/60/478812960.db2.gz LILNQVDOGLVRRL-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483743 478812968 /nfs/dbraw/zinc/81/29/68/478812968.db2.gz LILNQVDOGLVRRL-UHFFFAOYSA-N 1 2 337.395 2.958 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCC2)O1 ZINC000592186987 478819193 /nfs/dbraw/zinc/81/91/93/478819193.db2.gz QXJFWYZTIROFQK-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCC2)O1 ZINC000592186987 478819197 /nfs/dbraw/zinc/81/91/97/478819197.db2.gz QXJFWYZTIROFQK-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595494459 478819424 /nfs/dbraw/zinc/81/94/24/478819424.db2.gz BQKIQMIOAZBOJV-LBPRGKRZSA-N 1 2 325.752 2.758 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196943 478822884 /nfs/dbraw/zinc/82/28/84/478822884.db2.gz ZTTPQFWMKRBIKR-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196943 478822891 /nfs/dbraw/zinc/82/28/91/478822891.db2.gz ZTTPQFWMKRBIKR-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1noc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595510589 478828015 /nfs/dbraw/zinc/82/80/15/478828015.db2.gz NKFXUAGSLNZMGX-GFCCVEGCSA-N 1 2 325.752 2.710 20 5 EFBDLO Cc1noc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595510589 478828019 /nfs/dbraw/zinc/82/80/19/478828019.db2.gz NKFXUAGSLNZMGX-GFCCVEGCSA-N 1 2 325.752 2.710 20 5 EFBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000598463816 478836225 /nfs/dbraw/zinc/83/62/25/478836225.db2.gz CYWULIXTJAYGDX-SNVBAGLBSA-N 1 2 334.351 2.622 20 5 EFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1[nH+]ccn1C ZINC000598465306 478837171 /nfs/dbraw/zinc/83/71/71/478837171.db2.gz PPEQMZPTPIPYLF-QMMMGPOBSA-N 1 2 342.277 2.838 20 5 EFBDLO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466119 478837871 /nfs/dbraw/zinc/83/78/71/478837871.db2.gz XWHRSGLWCLAARR-QMMMGPOBSA-N 1 2 342.277 2.838 20 5 EFBDLO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000544507175 478838743 /nfs/dbraw/zinc/83/87/43/478838743.db2.gz GKGCIMCDISIFLT-UHFFFAOYSA-N 1 2 345.355 2.623 20 5 EFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595549123 478848504 /nfs/dbraw/zinc/84/85/04/478848504.db2.gz HOCFWMVHGZSXFY-MRVPVSSYSA-N 1 2 339.348 2.828 20 5 EFBDLO CN(CC1=CCSC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598516288 478875825 /nfs/dbraw/zinc/87/58/25/478875825.db2.gz RGERVJSLGABWFH-UHFFFAOYSA-N 1 2 344.396 2.526 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000505600879 478875785 /nfs/dbraw/zinc/87/57/85/478875785.db2.gz AXIIEWHYWSRMPR-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO CCc1cc(N[C@H](C)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507021112 478900288 /nfs/dbraw/zinc/90/02/88/478900288.db2.gz IDIBNYGPQFVGER-GFCCVEGCSA-N 1 2 330.388 2.873 20 5 EFBDLO C[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507133021 478904347 /nfs/dbraw/zinc/90/43/47/478904347.db2.gz RPXJOOAHAYIHSE-UHFFFAOYSA-N 1 2 328.294 2.986 20 5 EFBDLO C[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507133021 478904349 /nfs/dbraw/zinc/90/43/49/478904349.db2.gz RPXJOOAHAYIHSE-UHFFFAOYSA-N 1 2 328.294 2.986 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565212386 478952194 /nfs/dbraw/zinc/95/21/94/478952194.db2.gz HZJBCTYJGKKBDM-LLVKDONJSA-N 1 2 331.376 2.956 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565212386 478952201 /nfs/dbraw/zinc/95/22/01/478952201.db2.gz HZJBCTYJGKKBDM-LLVKDONJSA-N 1 2 331.376 2.956 20 5 EFBDLO CSC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000601689262 478953547 /nfs/dbraw/zinc/95/35/47/478953547.db2.gz NCXJTKRAVHUJHF-UHFFFAOYSA-N 1 2 346.412 2.748 20 5 EFBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000572972224 478963039 /nfs/dbraw/zinc/96/30/39/478963039.db2.gz SAMKJADQCNJIOI-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000572972224 478963048 /nfs/dbraw/zinc/96/30/48/478963048.db2.gz SAMKJADQCNJIOI-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO CC(C)Oc1nc(Nc2ccc3c(c2)[nH+]cn3C)ccc1[N+](=O)[O-] ZINC000572985616 478967073 /nfs/dbraw/zinc/96/70/73/478967073.db2.gz ITCRFHMYKHTXNX-UHFFFAOYSA-N 1 2 327.344 2.829 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492397394 478967776 /nfs/dbraw/zinc/96/77/76/478967776.db2.gz JXKJKQFZPJVMIZ-WAYWQWQTSA-N 1 2 348.790 2.837 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807491 479011041 /nfs/dbraw/zinc/01/10/41/479011041.db2.gz POVLBFWLOBYFCL-ZDUSSCGKSA-N 1 2 345.399 2.757 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000514869541 479080950 /nfs/dbraw/zinc/08/09/50/479080950.db2.gz AZSVYIHOOLFHEV-HNNXBMFYSA-N 1 2 340.383 2.726 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000514869541 479080955 /nfs/dbraw/zinc/08/09/55/479080955.db2.gz AZSVYIHOOLFHEV-HNNXBMFYSA-N 1 2 340.383 2.726 20 5 EFBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000573553890 479090969 /nfs/dbraw/zinc/09/09/69/479090969.db2.gz WXHPFFLSHLWADY-UHFFFAOYSA-N 1 2 340.261 2.507 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949163 479096900 /nfs/dbraw/zinc/09/69/00/479096900.db2.gz UISVCYNWRWMXJV-LLVKDONJSA-N 1 2 346.412 2.648 20 5 EFBDLO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054153 479145172 /nfs/dbraw/zinc/14/51/72/479145172.db2.gz BKYGHYJHVLLNLD-KBPBESRZSA-N 1 2 335.404 2.811 20 5 EFBDLO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054153 479145179 /nfs/dbraw/zinc/14/51/79/479145179.db2.gz BKYGHYJHVLLNLD-KBPBESRZSA-N 1 2 335.404 2.811 20 5 EFBDLO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000599133644 479174915 /nfs/dbraw/zinc/17/49/15/479174915.db2.gz KFXNMJUXDBZGBF-CYBMUJFWSA-N 1 2 336.342 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCC[N@H+]2CC(F)F)c1 ZINC000599133644 479174924 /nfs/dbraw/zinc/17/49/24/479174924.db2.gz KFXNMJUXDBZGBF-CYBMUJFWSA-N 1 2 336.342 2.706 20 5 EFBDLO COc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1C ZINC000596171298 479178327 /nfs/dbraw/zinc/17/83/27/479178327.db2.gz CWJFLHJCHOCKMO-ZDUSSCGKSA-N 1 2 328.372 2.998 20 5 EFBDLO Cc1ncccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599155805 479185248 /nfs/dbraw/zinc/18/52/48/479185248.db2.gz BTNBJQSBOILINS-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000596211781 479202127 /nfs/dbraw/zinc/20/21/27/479202127.db2.gz VWKQXJLTRSFSBY-UHFFFAOYSA-N 1 2 327.331 2.809 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053593 479207429 /nfs/dbraw/zinc/20/74/29/479207429.db2.gz QADRAWBLMMSQET-DZGCQCFKSA-N 1 2 342.399 2.903 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053593 479207436 /nfs/dbraw/zinc/20/74/36/479207436.db2.gz QADRAWBLMMSQET-DZGCQCFKSA-N 1 2 342.399 2.903 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610859969 479212238 /nfs/dbraw/zinc/21/22/38/479212238.db2.gz XUFZKXPYUMDQKO-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610859969 479212241 /nfs/dbraw/zinc/21/22/41/479212241.db2.gz XUFZKXPYUMDQKO-UHFFFAOYSA-N 1 2 334.376 2.892 20 5 EFBDLO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000570009748 479227469 /nfs/dbraw/zinc/22/74/69/479227469.db2.gz FAADVKMDKJIPJF-UHFFFAOYSA-N 1 2 344.371 2.970 20 5 EFBDLO CCCc1[nH+]c(C)cc(OCc2onc(C)c2[N+](=O)[O-])c1C(=O)OC ZINC000596281958 479236882 /nfs/dbraw/zinc/23/68/82/479236882.db2.gz RLSYIJHTLFUHND-UHFFFAOYSA-N 1 2 349.343 2.913 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596295116 479242888 /nfs/dbraw/zinc/24/28/88/479242888.db2.gz PKFBTUWBMYCRED-HOTGVXAUSA-N 1 2 331.416 2.806 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC(F)(F)C1 ZINC000593236118 479255216 /nfs/dbraw/zinc/25/52/16/479255216.db2.gz YPINETDVOXSJPF-UHFFFAOYSA-N 1 2 336.298 2.652 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)CO1 ZINC000596434496 479294583 /nfs/dbraw/zinc/29/45/83/479294583.db2.gz YRUFECHKURAERE-NXEZZACHSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)CO1 ZINC000596434496 479294588 /nfs/dbraw/zinc/29/45/88/479294588.db2.gz YRUFECHKURAERE-NXEZZACHSA-N 1 2 348.325 2.530 20 5 EFBDLO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611221717 479315398 /nfs/dbraw/zinc/31/53/98/479315398.db2.gz XFVZEXFQYFVABW-VHSXEESVSA-N 1 2 343.225 2.671 20 5 EFBDLO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611221717 479315404 /nfs/dbraw/zinc/31/54/04/479315404.db2.gz XFVZEXFQYFVABW-VHSXEESVSA-N 1 2 343.225 2.671 20 5 EFBDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599511867 479318102 /nfs/dbraw/zinc/31/81/02/479318102.db2.gz CMVFUTNDSJPJED-QWRGUYRKSA-N 1 2 327.331 2.756 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3[nH]nc4ccccc43)CC2)c1 ZINC000611261613 479326975 /nfs/dbraw/zinc/32/69/75/479326975.db2.gz ZJSJTGBKNGLHBJ-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)c1 ZINC000611261613 479326988 /nfs/dbraw/zinc/32/69/88/479326988.db2.gz ZJSJTGBKNGLHBJ-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO O=C1CCCN1C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596525326 479328093 /nfs/dbraw/zinc/32/80/93/479328093.db2.gz NKISPLFQCCJZNW-CYBMUJFWSA-N 1 2 340.383 2.592 20 5 EFBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602438032 479331855 /nfs/dbraw/zinc/33/18/55/479331855.db2.gz BCPUWKFPVZUBEZ-UHFFFAOYSA-N 1 2 333.310 2.524 20 5 EFBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602438032 479331858 /nfs/dbraw/zinc/33/18/58/479331858.db2.gz BCPUWKFPVZUBEZ-UHFFFAOYSA-N 1 2 333.310 2.524 20 5 EFBDLO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596544073 479335404 /nfs/dbraw/zinc/33/54/04/479335404.db2.gz WKSJXHBJTSELKQ-ZETCQYMHSA-N 1 2 326.154 2.659 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599621616 479356645 /nfs/dbraw/zinc/35/66/45/479356645.db2.gz BWWWSUDAXHONJI-LLVKDONJSA-N 1 2 339.342 2.604 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599621616 479356649 /nfs/dbraw/zinc/35/66/49/479356649.db2.gz BWWWSUDAXHONJI-LLVKDONJSA-N 1 2 339.342 2.604 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599623252 479357457 /nfs/dbraw/zinc/35/74/57/479357457.db2.gz NDDDLYRWWYVMFJ-SNVBAGLBSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599623252 479357463 /nfs/dbraw/zinc/35/74/63/479357463.db2.gz NDDDLYRWWYVMFJ-SNVBAGLBSA-N 1 2 343.330 2.662 20 5 EFBDLO C[NH+](C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000602500297 479369843 /nfs/dbraw/zinc/36/98/43/479369843.db2.gz YKHOJODAMRQVCA-ZDUSSCGKSA-N 1 2 330.344 2.722 20 5 EFBDLO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000603407462 479374969 /nfs/dbraw/zinc/37/49/69/479374969.db2.gz UBTNUDIERZDODO-UHFFFAOYSA-N 1 2 335.404 2.639 20 5 EFBDLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511250 479375433 /nfs/dbraw/zinc/37/54/33/479375433.db2.gz OLWKCGRHQHBELU-GFCCVEGCSA-N 1 2 327.344 2.637 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000611475630 479388891 /nfs/dbraw/zinc/38/88/91/479388891.db2.gz MRXKQAAMJWYBHI-CYBMUJFWSA-N 1 2 330.388 2.900 20 5 EFBDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599684200 479389827 /nfs/dbraw/zinc/38/98/27/479389827.db2.gz UTVIDSFSXODMNX-INIZCTEOSA-N 1 2 342.351 2.573 20 5 EFBDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599684200 479389830 /nfs/dbraw/zinc/38/98/30/479389830.db2.gz UTVIDSFSXODMNX-INIZCTEOSA-N 1 2 342.351 2.573 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000599700448 479397617 /nfs/dbraw/zinc/39/76/17/479397617.db2.gz GOGANZGSLSLLGP-KRWDZBQOSA-N 1 2 349.431 2.873 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000599700448 479397623 /nfs/dbraw/zinc/39/76/23/479397623.db2.gz GOGANZGSLSLLGP-KRWDZBQOSA-N 1 2 349.431 2.873 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000611515131 479401586 /nfs/dbraw/zinc/40/15/86/479401586.db2.gz NOMTVAQKAMWSNM-OAHLLOKOSA-N 1 2 346.431 2.798 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H]1CO ZINC000602627786 479434077 /nfs/dbraw/zinc/43/40/77/479434077.db2.gz TYEQLRKYZFSDLZ-XVKPBYJWSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H]1CO ZINC000602627786 479434084 /nfs/dbraw/zinc/43/40/84/479434084.db2.gz TYEQLRKYZFSDLZ-XVKPBYJWSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1CO ZINC000602627783 479434126 /nfs/dbraw/zinc/43/41/26/479434126.db2.gz TYEQLRKYZFSDLZ-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1CO ZINC000602627783 479434132 /nfs/dbraw/zinc/43/41/32/479434132.db2.gz TYEQLRKYZFSDLZ-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO CCC(CC)C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603873028 479442729 /nfs/dbraw/zinc/44/27/29/479442729.db2.gz BRJFGSHUJXKYRM-UHFFFAOYSA-N 1 2 333.432 2.718 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3ccc(F)cc3)nc2c1 ZINC000611680925 479445156 /nfs/dbraw/zinc/44/51/56/479445156.db2.gz NXNZCQOMKVOVEO-AWEZNQCLSA-N 1 2 331.303 2.698 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H](O)CC2)cc1Br ZINC000602672838 479466937 /nfs/dbraw/zinc/46/69/37/479466937.db2.gz PWNYBAYGQWVUSD-QMMMGPOBSA-N 1 2 335.223 2.766 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H](O)CC2)cc1Br ZINC000602672838 479466946 /nfs/dbraw/zinc/46/69/46/479466946.db2.gz PWNYBAYGQWVUSD-QMMMGPOBSA-N 1 2 335.223 2.766 20 5 EFBDLO CN(Cc1c[nH]c[nH+]1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704443 479488556 /nfs/dbraw/zinc/48/85/56/479488556.db2.gz DRVKQNKQSPGVGS-UHFFFAOYSA-N 1 2 331.195 2.774 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000599953077 479478499 /nfs/dbraw/zinc/47/84/99/479478499.db2.gz UTYAZBMWDYMMOX-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000599953077 479478503 /nfs/dbraw/zinc/47/85/03/479478503.db2.gz UTYAZBMWDYMMOX-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596913529 479484601 /nfs/dbraw/zinc/48/46/01/479484601.db2.gz JKFQVHLFLZTOJW-OAHLLOKOSA-N 1 2 342.399 2.791 20 5 EFBDLO CN(Cc1c[nH+]c[nH]1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704443 479488549 /nfs/dbraw/zinc/48/85/49/479488549.db2.gz DRVKQNKQSPGVGS-UHFFFAOYSA-N 1 2 331.195 2.774 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nc4c(s3)CCC4)nc2c1 ZINC000618618924 479516408 /nfs/dbraw/zinc/51/64/08/479516408.db2.gz UHJFIMJXYLKBNA-UHFFFAOYSA-N 1 2 329.385 2.706 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)c1 ZINC000600112472 479522713 /nfs/dbraw/zinc/52/27/13/479522713.db2.gz MXCYOJFRWDTORV-UHFFFAOYSA-N 1 2 328.372 2.782 20 5 EFBDLO CCCn1nccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596989178 479522966 /nfs/dbraw/zinc/52/29/66/479522966.db2.gz NDZXFDSEXVAMCP-UHFFFAOYSA-N 1 2 329.404 2.524 20 5 EFBDLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000604481378 479525266 /nfs/dbraw/zinc/52/52/66/479525266.db2.gz LGQVZBOLNPVNMH-UHFFFAOYSA-N 1 2 325.368 2.649 20 5 EFBDLO Cc1[nH]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000600123915 479529170 /nfs/dbraw/zinc/52/91/70/479529170.db2.gz KFEWTHJCSSBOSQ-UHFFFAOYSA-N 1 2 330.388 2.978 20 5 EFBDLO Cc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000600123915 479529173 /nfs/dbraw/zinc/52/91/73/479529173.db2.gz KFEWTHJCSSBOSQ-UHFFFAOYSA-N 1 2 330.388 2.978 20 5 EFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000604525288 479534424 /nfs/dbraw/zinc/53/44/24/479534424.db2.gz HFLQJMXSUDDMCB-UHFFFAOYSA-N 1 2 333.310 2.832 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000604525288 479534431 /nfs/dbraw/zinc/53/44/31/479534431.db2.gz HFLQJMXSUDDMCB-UHFFFAOYSA-N 1 2 333.310 2.832 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000602790440 479554980 /nfs/dbraw/zinc/55/49/80/479554980.db2.gz FRXRCMLWHWSQJJ-HNNXBMFYSA-N 1 2 343.412 2.935 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000602810064 479568579 /nfs/dbraw/zinc/56/85/79/479568579.db2.gz KQTGLCBURQRYSS-CYBMUJFWSA-N 1 2 349.460 2.540 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000602833993 479583279 /nfs/dbraw/zinc/58/32/79/479583279.db2.gz XUMUGWHOIXHHJP-UHFFFAOYSA-N 1 2 338.770 2.951 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000602833993 479583285 /nfs/dbraw/zinc/58/32/85/479583285.db2.gz XUMUGWHOIXHHJP-UHFFFAOYSA-N 1 2 338.770 2.951 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000602896781 479618521 /nfs/dbraw/zinc/61/85/21/479618521.db2.gz GXBLXSOJBJITBD-CQSZACIVSA-N 1 2 344.371 2.609 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000602896781 479618529 /nfs/dbraw/zinc/61/85/29/479618529.db2.gz GXBLXSOJBJITBD-CQSZACIVSA-N 1 2 344.371 2.609 20 5 EFBDLO O=C(NC/C=C\c1cccnc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590397436 479639796 /nfs/dbraw/zinc/63/97/96/479639796.db2.gz SWNPJMMLUPPGQJ-RQOWECAXSA-N 1 2 349.350 2.619 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000618980868 479657557 /nfs/dbraw/zinc/65/75/57/479657557.db2.gz NPUNQJCFWHKQFG-CQSZACIVSA-N 1 2 337.339 2.591 20 5 EFBDLO Cc1cccn2cc(CCNc3ncnc4cccc([N+](=O)[O-])c43)[nH+]c12 ZINC000612446265 479674328 /nfs/dbraw/zinc/67/43/28/479674328.db2.gz DFRHDVQCLLFJSI-UHFFFAOYSA-N 1 2 348.366 2.571 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000612611329 479709883 /nfs/dbraw/zinc/70/98/83/479709883.db2.gz LLABOKADCARJFE-UHFFFAOYSA-N 1 2 344.346 2.871 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000616152025 479836539 /nfs/dbraw/zinc/83/65/39/479836539.db2.gz ANKAFKQNRYROJM-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000616152025 479836547 /nfs/dbraw/zinc/83/65/47/479836547.db2.gz ANKAFKQNRYROJM-UHFFFAOYSA-N 1 2 331.372 2.947 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222983 480231303 /nfs/dbraw/zinc/23/13/03/480231303.db2.gz YGGJHQOIYHOFOM-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222983 480231311 /nfs/dbraw/zinc/23/13/11/480231311.db2.gz YGGJHQOIYHOFOM-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000610391241 480295800 /nfs/dbraw/zinc/29/58/00/480295800.db2.gz LWOWJHDINDQEOC-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000610391241 480295804 /nfs/dbraw/zinc/29/58/04/480295804.db2.gz LWOWJHDINDQEOC-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO CSc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000614444713 480307654 /nfs/dbraw/zinc/30/76/54/480307654.db2.gz USMKYAGSUYJVGW-LBPRGKRZSA-N 1 2 346.412 2.991 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487495 480319000 /nfs/dbraw/zinc/31/90/00/480319000.db2.gz OHIKEXRUHUGWRU-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487495 480319006 /nfs/dbraw/zinc/31/90/06/480319006.db2.gz OHIKEXRUHUGWRU-JTQLQIEISA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617718581 480334192 /nfs/dbraw/zinc/33/41/92/480334192.db2.gz WZNDKTIMQDUBSP-XJKSGUPXSA-N 1 2 328.372 2.759 20 5 EFBDLO C[C@@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000610581992 480343536 /nfs/dbraw/zinc/34/35/36/480343536.db2.gz FXQRIQSTESWKFG-KRWDZBQOSA-N 1 2 327.340 2.733 20 5 EFBDLO C[C@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000610581993 480343741 /nfs/dbraw/zinc/34/37/41/480343741.db2.gz FXQRIQSTESWKFG-QGZVFWFLSA-N 1 2 327.340 2.733 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191736311 533942575 /nfs/dbraw/zinc/94/25/75/533942575.db2.gz MLUMNHYEZAKWQT-INIZCTEOSA-N 1 2 332.429 2.927 20 5 EFBDLO Cc1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191736311 533942569 /nfs/dbraw/zinc/94/25/69/533942569.db2.gz MLUMNHYEZAKWQT-INIZCTEOSA-N 1 2 332.429 2.927 20 5 EFBDLO C[C@H]1CSCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000191290647 534061970 /nfs/dbraw/zinc/06/19/70/534061970.db2.gz PFDNKFLWWZGNSG-GFCCVEGCSA-N 1 2 346.412 2.606 20 5 EFBDLO CCOc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000180969522 520766760 /nfs/dbraw/zinc/76/67/60/520766760.db2.gz GWPSKHHPQIPEFD-UHFFFAOYSA-N 1 2 344.371 2.969 20 5 EFBDLO CC1CCC(NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088606877 520946002 /nfs/dbraw/zinc/94/60/02/520946002.db2.gz SQASPMFTMCJVFO-UHFFFAOYSA-N 1 2 331.416 2.648 20 5 EFBDLO CC1CCC(NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088606877 520946009 /nfs/dbraw/zinc/94/60/09/520946009.db2.gz SQASPMFTMCJVFO-UHFFFAOYSA-N 1 2 331.416 2.648 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(OCc2c(C)[nH+]c3ccccn32)c1 ZINC000150894888 522179252 /nfs/dbraw/zinc/17/92/52/522179252.db2.gz MNSZFNWKANNBCV-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000184821701 522306976 /nfs/dbraw/zinc/30/69/76/522306976.db2.gz YIGNLWKREPXLRK-GDBMZVCRSA-N 1 2 344.415 2.813 20 5 EFBDLO CN(Cc1cscn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000149221266 523536872 /nfs/dbraw/zinc/53/68/72/523536872.db2.gz XMEJCRCYJZSOHE-UHFFFAOYSA-N 1 2 343.368 2.509 20 5 EFBDLO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000128484921 524242125 /nfs/dbraw/zinc/24/21/25/524242125.db2.gz BGLCOGLFNCWSRD-LRDDRELGSA-N 1 2 346.362 2.583 20 5 EFBDLO CC(=O)c1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000341422817 534823747 /nfs/dbraw/zinc/82/37/47/534823747.db2.gz TYMLMGPZVAJKGP-MRXNPFEDSA-N 1 2 349.431 2.956 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029459618 724384978 /nfs/dbraw/zinc/38/49/78/724384978.db2.gz CYCNUBQVSLABRZ-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccn1 ZINC000181770683 525487138 /nfs/dbraw/zinc/48/71/38/525487138.db2.gz HZZZUTDPAADMHE-NSHDSACASA-N 1 2 325.328 2.891 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029459618 724384981 /nfs/dbraw/zinc/38/49/81/724384981.db2.gz CYCNUBQVSLABRZ-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121432131 526489420 /nfs/dbraw/zinc/48/94/20/526489420.db2.gz FKGZNUVBPANTPO-MRXNPFEDSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121432131 526489424 /nfs/dbraw/zinc/48/94/24/526489424.db2.gz FKGZNUVBPANTPO-MRXNPFEDSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000119785714 526554120 /nfs/dbraw/zinc/55/41/20/526554120.db2.gz GAYQBGPRUDMTBA-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C(C[NH+]1CCC(OC2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000195317136 526730454 /nfs/dbraw/zinc/73/04/54/526730454.db2.gz OHBCNMBMRZZUBV-UHFFFAOYSA-N 1 2 347.415 2.957 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120706129 526804318 /nfs/dbraw/zinc/80/43/18/526804318.db2.gz GJFHDLZHXPKXOQ-UHFFFAOYSA-N 1 2 347.334 2.721 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000149896459 527170078 /nfs/dbraw/zinc/17/00/78/527170078.db2.gz YHNFLGPCGMSIOG-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO Cc1[nH+]c2ccccn2c1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000150976470 527179617 /nfs/dbraw/zinc/17/96/17/527179617.db2.gz VQOZPWMLSSGQLF-UHFFFAOYSA-N 1 2 334.339 2.858 20 5 EFBDLO O=C(Nc1ccc2c[nH]nc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194127279 527294740 /nfs/dbraw/zinc/29/47/40/527294740.db2.gz XPELKXJLDCLVAX-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000119357609 527439903 /nfs/dbraw/zinc/43/99/03/527439903.db2.gz HZDHKKXRDMKBRQ-LBPRGKRZSA-N 1 2 346.362 2.562 20 5 EFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000152957426 527676156 /nfs/dbraw/zinc/67/61/56/527676156.db2.gz XPYDWMSXPFYUCK-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000412274793 535219790 /nfs/dbraw/zinc/21/97/90/535219790.db2.gz CQTRXAKZRDQSQC-RRFJBIMHSA-N 1 2 328.372 2.935 20 5 EFBDLO CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347998210 535875658 /nfs/dbraw/zinc/87/56/58/535875658.db2.gz ZEITVRVLTWTDPR-ZDUSSCGKSA-N 1 2 343.387 2.799 20 5 EFBDLO CC[C@H]1C[N@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000362679397 536150420 /nfs/dbraw/zinc/15/04/20/536150420.db2.gz FHLVLWSBTOMFDS-JTQLQIEISA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@H]1C[N@@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000362679397 536150425 /nfs/dbraw/zinc/15/04/25/536150425.db2.gz FHLVLWSBTOMFDS-JTQLQIEISA-N 1 2 348.325 2.531 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNc1cccc[nH+]1 ZINC000341341118 536587735 /nfs/dbraw/zinc/58/77/35/536587735.db2.gz FJGSERJYXDGTTR-UHFFFAOYSA-N 1 2 330.344 2.609 20 5 EFBDLO O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424894688 546218851 /nfs/dbraw/zinc/21/88/51/546218851.db2.gz JPLVWXZDIHSBAU-GJZGRUSLSA-N 1 2 340.383 2.947 20 5 EFBDLO Cn1c[nH+]cc1COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000754685840 575471699 /nfs/dbraw/zinc/47/16/99/575471699.db2.gz UOSSKPOEWXQMMG-UHFFFAOYSA-N 1 2 329.234 2.704 20 5 EFBDLO C[C@@H]([N@H+](C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C(C)(C)C ZINC000755263937 575567216 /nfs/dbraw/zinc/56/72/16/575567216.db2.gz IHTWZQDTVDYAKD-LLVKDONJSA-N 1 2 334.376 2.735 20 5 EFBDLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C(C)(C)C ZINC000755263937 575567218 /nfs/dbraw/zinc/56/72/18/575567218.db2.gz IHTWZQDTVDYAKD-LLVKDONJSA-N 1 2 334.376 2.735 20 5 EFBDLO CN(C)c1cc(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000755886612 575649565 /nfs/dbraw/zinc/64/95/65/575649565.db2.gz LNJQWRGVAZRONA-VMPITWQZSA-N 1 2 327.340 2.812 20 5 EFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2[nH+]ccn2c1 ZINC000756988232 575808234 /nfs/dbraw/zinc/80/82/34/575808234.db2.gz DEJDUCDCGPBBBQ-UHFFFAOYSA-N 1 2 330.731 2.826 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000757682011 575849581 /nfs/dbraw/zinc/84/95/81/575849581.db2.gz ZMUZYUVHJPDAGF-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759134147 575885214 /nfs/dbraw/zinc/88/52/14/575885214.db2.gz FROSIWGXEKXCNW-ZDUSSCGKSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759134147 575885215 /nfs/dbraw/zinc/88/52/15/575885215.db2.gz FROSIWGXEKXCNW-ZDUSSCGKSA-N 1 2 345.399 2.906 20 5 EFBDLO CC[N@H+](CCC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000760537222 576042266 /nfs/dbraw/zinc/04/22/66/576042266.db2.gz DMVRPFLMIIDDDV-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO CC[N@@H+](CCC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000760537222 576042269 /nfs/dbraw/zinc/04/22/69/576042269.db2.gz DMVRPFLMIIDDDV-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000760572312 576048470 /nfs/dbraw/zinc/04/84/70/576048470.db2.gz PIJLHEVBHJNRCO-UHFFFAOYSA-N 1 2 326.303 2.919 20 5 EFBDLO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760853446 576081104 /nfs/dbraw/zinc/08/11/04/576081104.db2.gz LKTNVUYEXVFEIC-LLVKDONJSA-N 1 2 346.836 2.505 20 5 EFBDLO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760853446 576081106 /nfs/dbraw/zinc/08/11/06/576081106.db2.gz LKTNVUYEXVFEIC-LLVKDONJSA-N 1 2 346.836 2.505 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039278 576103395 /nfs/dbraw/zinc/10/33/95/576103395.db2.gz DLEYMYVWRNKLFE-VHSXEESVSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039278 576103397 /nfs/dbraw/zinc/10/33/97/576103397.db2.gz DLEYMYVWRNKLFE-VHSXEESVSA-N 1 2 331.294 2.806 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048651 576104489 /nfs/dbraw/zinc/10/44/89/576104489.db2.gz NPNOEFOAVXNWSP-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048651 576104491 /nfs/dbraw/zinc/10/44/91/576104491.db2.gz NPNOEFOAVXNWSP-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000761473540 576167477 /nfs/dbraw/zinc/16/74/77/576167477.db2.gz GPPJWTKIQQKKKE-GFCCVEGCSA-N 1 2 337.339 2.918 20 5 EFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCn1cc[nH+]c1 ZINC000763112981 576362190 /nfs/dbraw/zinc/36/21/90/576362190.db2.gz LFEJYQIHRSDAOX-UHFFFAOYSA-N 1 2 347.374 2.595 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000764320162 576448203 /nfs/dbraw/zinc/44/82/03/576448203.db2.gz PYPUVZNPQSSPBL-LLVKDONJSA-N 1 2 334.763 2.611 20 5 EFBDLO CCn1cc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cn1 ZINC000764987275 576533131 /nfs/dbraw/zinc/53/31/31/576533131.db2.gz HZMDPDVPKAOCSM-UHFFFAOYSA-N 1 2 328.376 2.559 20 5 EFBDLO CCn1cc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cn1 ZINC000764987275 576533133 /nfs/dbraw/zinc/53/31/33/576533133.db2.gz HZMDPDVPKAOCSM-UHFFFAOYSA-N 1 2 328.376 2.559 20 5 EFBDLO Cc1nn(C[N@@H+]2CCOC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765104594 577006958 /nfs/dbraw/zinc/00/69/58/577006958.db2.gz VURBPYWOLBHOGD-UHFFFAOYSA-N 1 2 330.388 2.855 20 5 EFBDLO Cc1nn(C[N@H+]2CCOC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765104594 577006960 /nfs/dbraw/zinc/00/69/60/577006960.db2.gz VURBPYWOLBHOGD-UHFFFAOYSA-N 1 2 330.388 2.855 20 5 EFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(C(F)F)CC2)nc1-c1ccncc1 ZINC000765146785 577012865 /nfs/dbraw/zinc/01/28/65/577012865.db2.gz LEOGGLPBXKVCGM-UHFFFAOYSA-N 1 2 337.330 2.788 20 5 EFBDLO CN(C)c1cc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000767485296 577210042 /nfs/dbraw/zinc/21/00/42/577210042.db2.gz ZBTWONOBEFVWQS-UHFFFAOYSA-N 1 2 345.355 2.568 20 5 EFBDLO COc1cc(C(=O)OCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000725946353 577304795 /nfs/dbraw/zinc/30/47/95/577304795.db2.gz RCISVJPLTUVSDT-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO COC(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000768930934 577317516 /nfs/dbraw/zinc/31/75/16/577317516.db2.gz IXWMSJARHOPLMJ-UHFFFAOYSA-N 1 2 345.355 2.739 20 5 EFBDLO C[C@@H]1COCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769456942 577363394 /nfs/dbraw/zinc/36/33/94/577363394.db2.gz MDSBLCCNGPIEFW-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1COCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769456942 577363392 /nfs/dbraw/zinc/36/33/92/577363392.db2.gz MDSBLCCNGPIEFW-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000769772947 577384316 /nfs/dbraw/zinc/38/43/16/577384316.db2.gz SEAYUJBMRQTAPI-GFCCVEGCSA-N 1 2 346.362 2.796 20 5 EFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccsc3[N+](=O)[O-])CC2)S1 ZINC000771170214 581182866 /nfs/dbraw/zinc/18/28/66/581182866.db2.gz ZYBLHQBNNASCAH-UHFFFAOYSA-N 1 2 326.447 2.660 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851762765 1251256682 /nfs/dbraw/zinc/25/66/82/1251256682.db2.gz YEDPJGVXZLXYQX-ZDUSSCGKSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851762765 1251256696 /nfs/dbraw/zinc/25/66/96/1251256696.db2.gz YEDPJGVXZLXYQX-ZDUSSCGKSA-N 1 2 339.367 2.833 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805523 1278292841 /nfs/dbraw/zinc/29/28/41/1278292841.db2.gz LLBIKISROWJYIF-HWKANZROSA-N 1 2 342.374 2.964 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824811142 1278295295 /nfs/dbraw/zinc/29/52/95/1278295295.db2.gz XAPRYNBACOJIGZ-XQRVVYSFSA-N 1 2 342.374 2.964 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494255 1267342728 /nfs/dbraw/zinc/34/27/28/1267342728.db2.gz WORYHAFRKKIGBC-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494255 1267342737 /nfs/dbraw/zinc/34/27/37/1267342737.db2.gz WORYHAFRKKIGBC-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO CN(C(=O)CC1CC1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005041075 1268434375 /nfs/dbraw/zinc/43/43/75/1268434375.db2.gz LDDUQDGPSZRAAK-UHFFFAOYSA-N 1 2 337.445 2.879 20 5 EFBDLO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922489 1268795688 /nfs/dbraw/zinc/79/56/88/1268795688.db2.gz ROFGPYCHLNIFTO-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922489 1268795693 /nfs/dbraw/zinc/79/56/93/1268795693.db2.gz ROFGPYCHLNIFTO-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742237614 1269950685 /nfs/dbraw/zinc/95/06/85/1269950685.db2.gz NBAAFAHKLBDIOH-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742237614 1269950692 /nfs/dbraw/zinc/95/06/92/1269950692.db2.gz NBAAFAHKLBDIOH-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958795 1272554869 /nfs/dbraw/zinc/55/48/69/1272554869.db2.gz PSTBZAIIKCOJKC-ZACQAIPSSA-N 1 2 348.443 2.974 20 5 EFBDLO CC(C)CC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677309 1275142856 /nfs/dbraw/zinc/14/28/56/1275142856.db2.gz JTZYPSCAMNHVJN-UHFFFAOYSA-N 1 2 331.328 2.553 20 5 EFBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785837001 1275203816 /nfs/dbraw/zinc/20/38/16/1275203816.db2.gz KTYMRKAHJYRSPU-VHSXEESVSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785837001 1275203825 /nfs/dbraw/zinc/20/38/25/1275203825.db2.gz KTYMRKAHJYRSPU-VHSXEESVSA-N 1 2 328.210 2.886 20 5 EFBDLO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170295639 1278979481 /nfs/dbraw/zinc/97/94/81/1278979481.db2.gz CXCRBIOWDBNDPG-MKBNYLNASA-N 1 2 338.404 2.712 20 5 EFBDLO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnnn1C1CC1 ZINC000788600629 1276237007 /nfs/dbraw/zinc/23/70/07/1276237007.db2.gz KUJCOKFRMKZIAB-ZUZCIYMTSA-N 1 2 342.403 2.989 20 5 EFBDLO CCC(CC)([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170329277 1279018770 /nfs/dbraw/zinc/01/87/70/1279018770.db2.gz YYSAWDXPWUCKDX-GFCCVEGCSA-N 1 2 338.404 2.856 20 5 EFBDLO Cc1ccccc1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789573925 1276820514 /nfs/dbraw/zinc/82/05/14/1276820514.db2.gz ZWKGWYLGQPFMNI-UHFFFAOYSA-N 1 2 330.300 2.858 20 5 EFBDLO NC(Cc1cccs1)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591312 1276837451 /nfs/dbraw/zinc/83/74/51/1276837451.db2.gz MYYZDZDIHSALFE-UHFFFAOYSA-N 1 2 336.329 2.806 20 5 EFBDLO O=[N+]([O-])c1ccc(Cn2c3ccccc3[nH+]c2NCCO)cc1F 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C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CF)C1 ZINC000880293538 1292439377 /nfs/dbraw/zinc/43/93/77/1292439377.db2.gz ANFFEHQPYZBITB-UWVGGRQHSA-N 1 2 329.759 2.867 20 5 EFBDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc([N+](=O)[O-])nc3)c2c1 ZINC001203570292 1312959211 /nfs/dbraw/zinc/95/92/11/1312959211.db2.gz WIQSODKTMQUPHT-UHFFFAOYSA-N 1 2 338.323 2.880 20 5 EFBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003583 1294614724 /nfs/dbraw/zinc/61/47/24/1294614724.db2.gz GKXUSVFJCAJRJE-UHFFFAOYSA-N 1 2 349.362 2.656 20 5 EFBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003583 1294614728 /nfs/dbraw/zinc/61/47/28/1294614728.db2.gz GKXUSVFJCAJRJE-UHFFFAOYSA-N 1 2 349.362 2.656 20 5 EFBDLO Cc1ccc(N2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)cc1C ZINC000886089874 1294669498 /nfs/dbraw/zinc/66/94/98/1294669498.db2.gz LEMBPZJERILISK-UHFFFAOYSA-N 1 2 326.400 2.929 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000886300291 1294830691 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HUOSCVOXSCUKFR-OAHLLOKOSA-N 1 2 338.404 2.680 20 5 EFBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597191 1299714778 /nfs/dbraw/zinc/71/47/78/1299714778.db2.gz HUOSCVOXSCUKFR-OAHLLOKOSA-N 1 2 338.404 2.680 20 5 EFBDLO O=C1OCCN1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000852721889 1299832020 /nfs/dbraw/zinc/83/20/20/1299832020.db2.gz MCVHNQWDRSMHDA-UHFFFAOYSA-N 1 2 339.779 2.665 20 5 EFBDLO O=C1OCCN1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852723276 1299835889 /nfs/dbraw/zinc/83/58/89/1299835889.db2.gz QIKPQOKROTYSBV-UHFFFAOYSA-N 1 2 339.779 2.665 20 5 EFBDLO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000852767749 1299876898 /nfs/dbraw/zinc/87/68/98/1299876898.db2.gz PVNMLIUCFHIXDK-UHFFFAOYSA-N 1 2 327.768 2.569 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H](C)S1 ZINC000853497986 1300138692 /nfs/dbraw/zinc/13/86/92/1300138692.db2.gz JANJCVBGFPRVFU-TXEJJXNPSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H](C)S1 ZINC000853497986 1300138699 /nfs/dbraw/zinc/13/86/99/1300138699.db2.gz JANJCVBGFPRVFU-TXEJJXNPSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)CO1 ZINC000853799883 1300284198 /nfs/dbraw/zinc/28/41/98/1300284198.db2.gz OVLCWLFNYYYQFA-WDEREUQCSA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)CO1 ZINC000853799883 1300284210 /nfs/dbraw/zinc/28/42/10/1300284210.db2.gz OVLCWLFNYYYQFA-WDEREUQCSA-N 1 2 336.417 2.726 20 5 EFBDLO Cc1cocc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860779993 1301919393 /nfs/dbraw/zinc/91/93/93/1301919393.db2.gz CUILQYYRHZJJBA-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1cocc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860779993 1301919400 /nfs/dbraw/zinc/91/94/00/1301919400.db2.gz CUILQYYRHZJJBA-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748499903 1313949894 /nfs/dbraw/zinc/94/98/94/1313949894.db2.gz LGOVHTFVSQHDMV-UHFFFAOYSA-N 1 2 338.323 2.720 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000801524273 1310462476 /nfs/dbraw/zinc/46/24/76/1310462476.db2.gz HAQFDQYVYNSRPO-HUUCEWRRSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000801524273 1310462478 /nfs/dbraw/zinc/46/24/78/1310462478.db2.gz HAQFDQYVYNSRPO-HUUCEWRRSA-N 1 2 344.408 2.522 20 5 EFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000801805132 1310949811 /nfs/dbraw/zinc/94/98/11/1310949811.db2.gz SKARSOGHQVEDBQ-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000749288046 1311025699 /nfs/dbraw/zinc/02/56/99/1311025699.db2.gz UBUFLVHTYMRGBM-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000749288046 1311025700 /nfs/dbraw/zinc/02/57/00/1311025700.db2.gz UBUFLVHTYMRGBM-UHFFFAOYSA-N 1 2 334.754 2.809 20 5 EFBDLO Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH+]c12 ZINC000750563920 1311080690 /nfs/dbraw/zinc/08/06/90/1311080690.db2.gz TUYMBVDEPNKNDD-UHFFFAOYSA-N 1 2 328.303 2.871 20 5 EFBDLO Cc1cc(CO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc(C)[nH+]1 ZINC001223424975 1311259424 /nfs/dbraw/zinc/25/94/24/1311259424.db2.gz OHICQXOMZIXYRN-INIZCTEOSA-N 1 2 328.372 2.797 20 5 EFBDLO O=C(NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001158996830 1311431205 /nfs/dbraw/zinc/43/12/05/1311431205.db2.gz SFBLTKLAFIJSJJ-UHFFFAOYSA-N 1 2 335.429 2.705 20 5 EFBDLO O=C(NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001158996830 1311431206 /nfs/dbraw/zinc/43/12/06/1311431206.db2.gz SFBLTKLAFIJSJJ-UHFFFAOYSA-N 1 2 335.429 2.705 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)c(Br)cc1F ZINC001225757316 1311573623 /nfs/dbraw/zinc/57/36/23/1311573623.db2.gz OSFDUTJGZLMZED-ZDUSSCGKSA-N 1 2 345.168 2.969 20 5 EFBDLO O=C(/C=C/C1CC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226778873 1311722197 /nfs/dbraw/zinc/72/21/97/1311722197.db2.gz UEAXJAYQZPNFBF-ONEGZZNKSA-N 1 2 335.429 2.703 20 5 EFBDLO C[NH+](C)[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000780092479 1311753502 /nfs/dbraw/zinc/75/35/02/1311753502.db2.gz ARIZOMQBANLWRI-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160722722 1311767892 /nfs/dbraw/zinc/76/78/92/1311767892.db2.gz IKSPJOGCYMPSGE-QWHCGFSZSA-N 1 2 340.811 2.617 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1Cl ZINC001160724267 1311768332 /nfs/dbraw/zinc/76/83/32/1311768332.db2.gz PHTCEZBCGIFKTJ-NEPJUHHUSA-N 1 2 340.811 2.617 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1Cl ZINC001160724269 1311768731 /nfs/dbraw/zinc/76/87/31/1311768731.db2.gz PHTCEZBCGIFKTJ-RYUDHWBXSA-N 1 2 340.811 2.617 20 5 EFBDLO O=[N+]([O-])c1cccc2oc(OC3C[NH+](Cc4ccccc4)C3)nc21 ZINC001227239151 1311781280 /nfs/dbraw/zinc/78/12/80/1311781280.db2.gz UBNOOEHWZQXBRU-UHFFFAOYSA-N 1 2 325.324 2.999 20 5 EFBDLO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]cc([N+](=O)[O-])c3ncnc1-3)C2 ZINC001227690727 1311839978 /nfs/dbraw/zinc/83/99/78/1311839978.db2.gz KEPJTEUUEUZRNY-GDNZZTSVSA-N 1 2 331.376 2.649 20 5 EFBDLO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]cc([N+](=O)[O-])c3ncnc1-3)C2 ZINC001227690727 1311839982 /nfs/dbraw/zinc/83/99/82/1311839982.db2.gz KEPJTEUUEUZRNY-GDNZZTSVSA-N 1 2 331.376 2.649 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(OC3C[NH+](Cc4ccccc4)C3)c21 ZINC001231053274 1312419039 /nfs/dbraw/zinc/41/90/39/1312419039.db2.gz NLYOUXOGWYSORT-UHFFFAOYSA-N 1 2 336.351 2.801 20 5 EFBDLO Cc1c(Br)c(O[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001231096095 1312430559 /nfs/dbraw/zinc/43/05/59/1312430559.db2.gz WJJZHQQDXGXTMJ-LLVKDONJSA-N 1 2 342.193 2.534 20 5 EFBDLO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(Br)c1 ZINC001218006101 1315131537 /nfs/dbraw/zinc/13/15/37/1315131537.db2.gz JJBOFYDEHCZKSU-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1C(F)(F)F ZINC001218006128 1315131652 /nfs/dbraw/zinc/13/16/52/1315131652.db2.gz KAJZWJVDHZFAGT-SNVBAGLBSA-N 1 2 326.221 2.990 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218012290 1315133433 /nfs/dbraw/zinc/13/34/33/1315133433.db2.gz NXJDFWXFRHMDRL-HNNXBMFYSA-N 1 2 341.358 2.961 20 5 EFBDLO O=[N+]([O-])c1cc2nc(O[C@@H]3CC[NH2+]CC3(F)F)[nH]c2cc1Cl ZINC001218012073 1315133662 /nfs/dbraw/zinc/13/36/62/1315133662.db2.gz LRRQRYWZFCEQKX-SNVBAGLBSA-N 1 2 332.694 2.501 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001218173477 1315158385 /nfs/dbraw/zinc/15/83/85/1315158385.db2.gz BCGWSDDCCKGVNM-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[NH2+]1 ZINC001218176770 1315159474 /nfs/dbraw/zinc/15/94/74/1315159474.db2.gz HNVQSQNGWFEAEX-HOCLYGCPSA-N 1 2 342.351 2.544 20 5 EFBDLO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC1(F)F ZINC001218240147 1315170007 /nfs/dbraw/zinc/17/00/07/1315170007.db2.gz RZNLIVUGFVSFQE-VIFPVBQESA-N 1 2 337.120 2.652 20 5 EFBDLO CC(C)c1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001254464861 1315706281 /nfs/dbraw/zinc/70/62/81/1315706281.db2.gz KZHMOPFGHUWFMO-UHFFFAOYSA-N 1 2 345.403 2.860 20 5 EFBDLO CC(C)c1nnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254563218 1315724018 /nfs/dbraw/zinc/72/40/18/1315724018.db2.gz VGVRPGYUSDESOB-ZDUSSCGKSA-N 1 2 329.404 2.757 20 5 EFBDLO CC(C)c1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254563218 1315724020 /nfs/dbraw/zinc/72/40/20/1315724020.db2.gz VGVRPGYUSDESOB-ZDUSSCGKSA-N 1 2 329.404 2.757 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(Oc3ccc(F)cc3)C1)C2 ZINC001254602090 1315729906 /nfs/dbraw/zinc/72/99/06/1315729906.db2.gz AYSIRDJAIHIBMX-INIZCTEOSA-N 1 2 328.343 2.964 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603861 1315729937 /nfs/dbraw/zinc/72/99/37/1315729937.db2.gz RDQDDSGIRWQQTN-WMZOPIPTSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603861 1315729939 /nfs/dbraw/zinc/72/99/39/1315729939.db2.gz RDQDDSGIRWQQTN-WMZOPIPTSA-N 1 2 325.368 2.531 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039496748 1315843463 /nfs/dbraw/zinc/84/34/63/1315843463.db2.gz RRLLZNGLFQRUQC-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039496748 1315843467 /nfs/dbraw/zinc/84/34/67/1315843467.db2.gz RRLLZNGLFQRUQC-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039497571 1315844068 /nfs/dbraw/zinc/84/40/68/1315844068.db2.gz HMVYMVDQYUVMIE-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039497571 1315844072 /nfs/dbraw/zinc/84/40/72/1315844072.db2.gz HMVYMVDQYUVMIE-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039499568 1315844701 /nfs/dbraw/zinc/84/47/01/1315844701.db2.gz OCVKGKKAYBUKKQ-CALCHBBNSA-N 1 2 331.416 2.960 20 5 EFBDLO CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039499568 1315844703 /nfs/dbraw/zinc/84/47/03/1315844703.db2.gz OCVKGKKAYBUKKQ-CALCHBBNSA-N 1 2 331.416 2.960 20 5 EFBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001259353168 1316231888 /nfs/dbraw/zinc/23/18/88/1316231888.db2.gz DYTOOAZUAJBPFD-UHFFFAOYSA-N 1 2 348.362 2.996 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(CN2CCn3c[nH+]cc3C2)c1 ZINC001262282171 1316458715 /nfs/dbraw/zinc/45/87/15/1316458715.db2.gz KLETUDFQFKLYPB-UHFFFAOYSA-N 1 2 337.177 2.570 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001319279973 1328830884 /nfs/dbraw/zinc/83/08/84/1328830884.db2.gz DCJOIASQFJUTSH-BLLLJJGKSA-N 1 2 343.387 2.556 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001319279979 1328831012 /nfs/dbraw/zinc/83/10/12/1328831012.db2.gz DCJOIASQFJUTSH-WBMJQRKESA-N 1 2 343.387 2.556 20 5 EFBDLO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC001320958551 1329325106 /nfs/dbraw/zinc/32/51/06/1329325106.db2.gz FWDNVBDHSHKRFU-VIFPVBQESA-N 1 2 342.277 2.688 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317703157 1328308744 /nfs/dbraw/zinc/30/87/44/1328308744.db2.gz WNKPRFVCDMZKIY-OLZOCXBDSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317703157 1328308752 /nfs/dbraw/zinc/30/87/52/1328308752.db2.gz WNKPRFVCDMZKIY-OLZOCXBDSA-N 1 2 343.383 2.660 20 5 EFBDLO Cc1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC001318139722 1328505571 /nfs/dbraw/zinc/50/55/71/1328505571.db2.gz GDKYBILLGILTAE-UHFFFAOYSA-N 1 2 334.351 2.743 20 5 EFBDLO Cc1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC001318139722 1328505575 /nfs/dbraw/zinc/50/55/75/1328505575.db2.gz GDKYBILLGILTAE-UHFFFAOYSA-N 1 2 334.351 2.743 20 5 EFBDLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001322837642 1329492916 /nfs/dbraw/zinc/49/29/16/1329492916.db2.gz WCGROTIYOBTANO-UHFFFAOYSA-N 1 2 338.367 2.807 20 5 EFBDLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001322837642 1329492919 /nfs/dbraw/zinc/49/29/19/1329492919.db2.gz WCGROTIYOBTANO-UHFFFAOYSA-N 1 2 338.367 2.807 20 5 EFBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001323107947 1329512464 /nfs/dbraw/zinc/51/24/64/1329512464.db2.gz WBYRBSMFIADLNJ-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001323107946 1329512583 /nfs/dbraw/zinc/51/25/83/1329512583.db2.gz WBYRBSMFIADLNJ-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001323545460 1329550785 /nfs/dbraw/zinc/55/07/85/1329550785.db2.gz FUZUHTWQQCDPIO-JTQLQIEISA-N 1 2 328.315 2.791 20 5 EFBDLO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001323545460 1329550787 /nfs/dbraw/zinc/55/07/87/1329550787.db2.gz FUZUHTWQQCDPIO-JTQLQIEISA-N 1 2 328.315 2.791 20 5 EFBDLO CCc1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC001323659151 1329559650 /nfs/dbraw/zinc/55/96/50/1329559650.db2.gz FFMJDWGWVHTXAN-UHFFFAOYSA-N 1 2 341.415 2.578 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149761 1329603679 /nfs/dbraw/zinc/60/36/79/1329603679.db2.gz DUTMRJQWLYAWDP-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149761 1329603681 /nfs/dbraw/zinc/60/36/81/1329603681.db2.gz DUTMRJQWLYAWDP-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO CC(C)c1nccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001327509854 1330491861 /nfs/dbraw/zinc/49/18/61/1330491861.db2.gz HCBAYHPMMWJIBG-UHFFFAOYSA-N 1 2 341.415 2.830 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001337341435 1331564114 /nfs/dbraw/zinc/56/41/14/1331564114.db2.gz PMCYRPFCIIZLJU-HNNXBMFYSA-N 1 2 343.358 2.829 20 5 EFBDLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001344875738 1332490622 /nfs/dbraw/zinc/49/06/22/1332490622.db2.gz NYNDGYRGYQMTQQ-CQSZACIVSA-N 1 2 329.360 2.969 20 5 EFBDLO Cc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001348217875 1332812878 /nfs/dbraw/zinc/81/28/78/1332812878.db2.gz PMMGBQPYTUDWDS-UHFFFAOYSA-N 1 2 329.356 2.836 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304940 1333514180 /nfs/dbraw/zinc/51/41/80/1333514180.db2.gz AKPYNPLPFKEEDW-JTQLQIEISA-N 1 2 336.779 2.809 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304940 1333514185 /nfs/dbraw/zinc/51/41/85/1333514185.db2.gz AKPYNPLPFKEEDW-JTQLQIEISA-N 1 2 336.779 2.809 20 5 EFBDLO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001356510011 1335045926 /nfs/dbraw/zinc/04/59/26/1335045926.db2.gz AHBFRZBUSUDFBG-HZMBPMFUSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001356510011 1335045930 /nfs/dbraw/zinc/04/59/30/1335045930.db2.gz AHBFRZBUSUDFBG-HZMBPMFUSA-N 1 2 346.353 2.660 20 5 EFBDLO Cc1noc(C)c1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194469 1335566633 /nfs/dbraw/zinc/56/66/33/1335566633.db2.gz OFSUXZPKRVVHFP-UHFFFAOYSA-N 1 2 342.311 2.742 20 5 EFBDLO Cc1ccccc1C(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000849213432 1335569739 /nfs/dbraw/zinc/56/97/39/1335569739.db2.gz HHWNXULHXNNZKJ-LBPRGKRZSA-N 1 2 342.355 2.777 20 5 EFBDLO CC1(C)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000790939015 714082964 /nfs/dbraw/zinc/08/29/64/714082964.db2.gz YGBLKTISIYXUFT-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000790939015 714082967 /nfs/dbraw/zinc/08/29/67/714082967.db2.gz YGBLKTISIYXUFT-LBPRGKRZSA-N 1 2 329.194 2.560 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000121277787 714474350 /nfs/dbraw/zinc/47/43/50/714474350.db2.gz LSCZOEMMGRVLHZ-CQSZACIVSA-N 1 2 345.330 2.731 20 5 EFBDLO COc1ccccc1C[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891469433 714770670 /nfs/dbraw/zinc/77/06/70/714770670.db2.gz HHTBXFXYMWMNOB-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1ccccc1C[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891469433 714770671 /nfs/dbraw/zinc/77/06/71/714770671.db2.gz HHTBXFXYMWMNOB-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnc1F ZINC000891723720 714977362 /nfs/dbraw/zinc/97/73/62/714977362.db2.gz RMAOZQCVSIVJTN-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC2 ZINC000891809867 715032655 /nfs/dbraw/zinc/03/26/55/715032655.db2.gz PPCWJGBUSRIBGQ-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC2 ZINC000891809867 715032659 /nfs/dbraw/zinc/03/26/59/715032659.db2.gz PPCWJGBUSRIBGQ-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1cc([N+](=O)[O-])cnc1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000892131452 715267045 /nfs/dbraw/zinc/26/70/45/715267045.db2.gz ILCJOZLXGNRACV-UHFFFAOYSA-N 1 2 332.360 2.655 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176826006 716718380 /nfs/dbraw/zinc/71/83/80/716718380.db2.gz WYMOFWDTVPJIGG-WFASDCNBSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176826006 716718381 /nfs/dbraw/zinc/71/83/81/716718381.db2.gz WYMOFWDTVPJIGG-WFASDCNBSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176826020 716718523 /nfs/dbraw/zinc/71/85/23/716718523.db2.gz WYMOFWDTVPJIGG-SWLSCSKDSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176826020 716718529 /nfs/dbraw/zinc/71/85/29/716718529.db2.gz WYMOFWDTVPJIGG-SWLSCSKDSA-N 1 2 349.412 2.820 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)co1 ZINC000981039485 718079256 /nfs/dbraw/zinc/07/92/56/718079256.db2.gz KBZUAAVALRFAEX-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)co1 ZINC000981039485 718079260 /nfs/dbraw/zinc/07/92/60/718079260.db2.gz KBZUAAVALRFAEX-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[NH2+][C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892668287 718412004 /nfs/dbraw/zinc/41/20/04/718412004.db2.gz FUFQJDLTLOFOFI-QWHCGFSZSA-N 1 2 337.420 2.519 20 5 EFBDLO Cc1csc([C@H](C)[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000892856204 719238556 /nfs/dbraw/zinc/23/85/56/719238556.db2.gz OGPUAFKBZCCWAL-JTQLQIEISA-N 1 2 335.385 2.982 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCCCC1 ZINC001025655473 719289902 /nfs/dbraw/zinc/28/99/02/719289902.db2.gz OTVGLFHLYMVQFI-FOLVSLTJSA-N 1 2 349.456 2.783 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCCCC1 ZINC001025655473 719289903 /nfs/dbraw/zinc/28/99/03/719289903.db2.gz OTVGLFHLYMVQFI-FOLVSLTJSA-N 1 2 349.456 2.783 20 5 EFBDLO COCCOc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000892938992 719294393 /nfs/dbraw/zinc/29/43/93/719294393.db2.gz KPLOHPOSVNORAJ-UHFFFAOYSA-N 1 2 336.344 2.511 20 5 EFBDLO C[N@H+](CCc1ccccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123874840 720892145 /nfs/dbraw/zinc/89/21/45/720892145.db2.gz TXLHZICFBDJCBW-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO C[N@@H+](CCc1ccccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123874840 720892148 /nfs/dbraw/zinc/89/21/48/720892148.db2.gz TXLHZICFBDJCBW-UHFFFAOYSA-N 1 2 348.790 2.756 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(C(F)F)c1 ZINC000895960179 723067837 /nfs/dbraw/zinc/06/78/37/723067837.db2.gz OXJIXFXOKYBVHF-UHFFFAOYSA-N 1 2 337.330 2.578 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029211329 723087601 /nfs/dbraw/zinc/08/76/01/723087601.db2.gz FLRUWKBAIJPQSA-IYBDPMFKSA-N 1 2 341.367 2.677 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029211329 723087604 /nfs/dbraw/zinc/08/76/04/723087604.db2.gz FLRUWKBAIJPQSA-IYBDPMFKSA-N 1 2 341.367 2.677 20 5 EFBDLO COc1c(O)ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000896822997 723506967 /nfs/dbraw/zinc/50/69/67/723506967.db2.gz BNUYLUUQMXRMSA-UHFFFAOYSA-N 1 2 349.412 2.934 20 5 EFBDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029395243 723807265 /nfs/dbraw/zinc/80/72/65/723807265.db2.gz OBAWKCPPLIPGHA-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029395243 723807266 /nfs/dbraw/zinc/80/72/66/723807266.db2.gz OBAWKCPPLIPGHA-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895249721 723938371 /nfs/dbraw/zinc/93/83/71/723938371.db2.gz VADKNPQETWQUDN-MFKMUULPSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895249721 723938372 /nfs/dbraw/zinc/93/83/72/723938372.db2.gz VADKNPQETWQUDN-MFKMUULPSA-N 1 2 346.353 2.660 20 5 EFBDLO Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000918367677 728870992 /nfs/dbraw/zinc/87/09/92/728870992.db2.gz GAPHXNQLBMNCLE-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO CCC1CC[NH+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1 ZINC000728706990 724142403 /nfs/dbraw/zinc/14/24/03/724142403.db2.gz ZZYXQGXOTZQBJP-UHFFFAOYSA-N 1 2 344.415 2.935 20 5 EFBDLO Cc1cc(C)c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH+]1 ZINC000907652814 726984141 /nfs/dbraw/zinc/98/41/41/726984141.db2.gz KUUWPTNWOJVWOW-UHFFFAOYSA-N 1 2 341.367 2.818 20 5 EFBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000732809240 727240284 /nfs/dbraw/zinc/24/02/84/727240284.db2.gz SOKNSQDWBXRYOY-CYBMUJFWSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000732809240 727240285 /nfs/dbraw/zinc/24/02/85/727240285.db2.gz SOKNSQDWBXRYOY-CYBMUJFWSA-N 1 2 335.379 2.711 20 5 EFBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCCC3)c2)nc2ccccn21 ZINC000029147477 727737843 /nfs/dbraw/zinc/73/78/43/727737843.db2.gz YANCZJLEHFMLQG-UHFFFAOYSA-N 1 2 338.371 2.850 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151176698 727795164 /nfs/dbraw/zinc/79/51/64/727795164.db2.gz JEMFLNFXZULIHB-GASCZTMLSA-N 1 2 340.383 2.508 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151176698 727795167 /nfs/dbraw/zinc/79/51/67/727795167.db2.gz JEMFLNFXZULIHB-GASCZTMLSA-N 1 2 340.383 2.508 20 5 EFBDLO CCC[NH+](CCC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821222 728112690 /nfs/dbraw/zinc/11/26/90/728112690.db2.gz PMLHPSIDXMLZAM-UHFFFAOYSA-N 1 2 330.388 2.898 20 5 EFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172968911 728612874 /nfs/dbraw/zinc/61/28/74/728612874.db2.gz IPAZSNKHWAUSCR-ZDUSSCGKSA-N 1 2 349.822 2.781 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000920767852 729229729 /nfs/dbraw/zinc/22/97/29/729229729.db2.gz LSJUHYPVQANDHF-HNNXBMFYSA-N 1 2 330.388 2.565 20 5 EFBDLO C[C@@H]1CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H]1C ZINC000174949826 729467157 /nfs/dbraw/zinc/46/71/57/729467157.db2.gz SORHCEPNXNLRPR-CHWSQXEVSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H]1C ZINC000174949826 729467159 /nfs/dbraw/zinc/46/71/59/729467159.db2.gz SORHCEPNXNLRPR-CHWSQXEVSA-N 1 2 328.372 2.506 20 5 EFBDLO Cc1cc[nH+]c(NC[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC001581281663 1091111951 /nfs/dbraw/zinc/11/19/51/1091111951.db2.gz OAHBVTYFNWWEIX-NSHDSACASA-N 1 2 339.359 2.694 20 5 EFBDLO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001591131360 1093666590 /nfs/dbraw/zinc/66/65/90/1093666590.db2.gz POFKYAWIRKMJFX-UHFFFAOYSA-N 1 2 348.363 2.608 20 5 EFBDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001591131360 1093666593 /nfs/dbraw/zinc/66/65/93/1093666593.db2.gz POFKYAWIRKMJFX-UHFFFAOYSA-N 1 2 348.363 2.608 20 5 EFBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4nc4ccccc43)C[C@@H]21 ZINC001270262606 1098879539 /nfs/dbraw/zinc/87/95/39/1098879539.db2.gz ZUSIIQSLJFELQX-OALUTQOASA-N 1 2 347.418 2.543 20 5 EFBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4nc4ccccc43)C[C@@H]21 ZINC001270262606 1098879546 /nfs/dbraw/zinc/87/95/46/1098879546.db2.gz ZUSIIQSLJFELQX-OALUTQOASA-N 1 2 347.418 2.543 20 5 EFBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001270368569 1099013445 /nfs/dbraw/zinc/01/34/45/1099013445.db2.gz KWYRIAZSXHWEHL-GASCZTMLSA-N 1 2 348.402 2.865 20 5 EFBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001270368569 1099013457 /nfs/dbraw/zinc/01/34/57/1099013457.db2.gz KWYRIAZSXHWEHL-GASCZTMLSA-N 1 2 348.402 2.865 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168374238 1103511339 /nfs/dbraw/zinc/51/13/39/1103511339.db2.gz NZWVCXBDHQEEGC-CQSZACIVSA-N 1 2 349.431 2.966 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374238 1103511350 /nfs/dbraw/zinc/51/13/50/1103511350.db2.gz NZWVCXBDHQEEGC-CQSZACIVSA-N 1 2 349.431 2.966 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000897582960 1105788629 /nfs/dbraw/zinc/78/86/29/1105788629.db2.gz FJMXQYBLYQPJLM-CQSZACIVSA-N 1 2 342.399 2.965 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000127907550 1107647987 /nfs/dbraw/zinc/64/79/87/1107647987.db2.gz XHIHXPRHNVQWPW-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO Cc1nn(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729853061 1107707579 /nfs/dbraw/zinc/70/75/79/1107707579.db2.gz YLHIZYFNHGLILB-INIZCTEOSA-N 1 2 330.388 2.829 20 5 EFBDLO Cc1nn(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729853061 1107707592 /nfs/dbraw/zinc/70/75/92/1107707592.db2.gz YLHIZYFNHGLILB-INIZCTEOSA-N 1 2 330.388 2.829 20 5 EFBDLO CC(C)Oc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000842347120 1109531515 /nfs/dbraw/zinc/53/15/15/1109531515.db2.gz OFAUEZFMHPEHED-ZDUSSCGKSA-N 1 2 340.351 2.583 20 5 EFBDLO CC(C)Oc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000842347120 1109531518 /nfs/dbraw/zinc/53/15/18/1109531518.db2.gz OFAUEZFMHPEHED-ZDUSSCGKSA-N 1 2 340.351 2.583 20 5 EFBDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000914795603 1111385237 /nfs/dbraw/zinc/38/52/37/1111385237.db2.gz WMKMYZLKBINUBI-ZWNOBZJWSA-N 1 2 334.376 2.660 20 5 EFBDLO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC001106759140 1111805469 /nfs/dbraw/zinc/80/54/69/1111805469.db2.gz DRLTYSDIEFKBAD-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC001106759163 1111805483 /nfs/dbraw/zinc/80/54/83/1111805483.db2.gz GDKZMLUMHMATFZ-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001106985928 1119048617 /nfs/dbraw/zinc/04/86/17/1119048617.db2.gz QHLOUIUGFZSDIP-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001106985928 1119048621 /nfs/dbraw/zinc/04/86/21/1119048621.db2.gz QHLOUIUGFZSDIP-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO C[NH+](C)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000433383785 282236075 /nfs/dbraw/zinc/23/60/75/282236075.db2.gz UASDZPBBTXRXKT-OAHLLOKOSA-N 1 2 329.356 2.932 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153316833 530007030 /nfs/dbraw/zinc/00/70/30/530007030.db2.gz UVDMOLITEYNYEY-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153316833 530007032 /nfs/dbraw/zinc/00/70/32/530007032.db2.gz UVDMOLITEYNYEY-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377574 215036847 /nfs/dbraw/zinc/03/68/47/215036847.db2.gz OZGMPQIQJGZNPU-NFAWXSAZSA-N 1 2 339.461 2.730 20 5 EFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377574 215036848 /nfs/dbraw/zinc/03/68/48/215036848.db2.gz OZGMPQIQJGZNPU-NFAWXSAZSA-N 1 2 339.461 2.730 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000068571332 215320202 /nfs/dbraw/zinc/32/02/02/215320202.db2.gz JOQCVLJFSWJUQZ-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000345603239 299182851 /nfs/dbraw/zinc/18/28/51/299182851.db2.gz QZVSQMCVEJELOV-NHYWBVRUSA-N 1 2 343.387 2.840 20 5 EFBDLO COc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])cc1F ZINC000184406536 235389794 /nfs/dbraw/zinc/38/97/94/235389794.db2.gz FHBLDHBEBJPAAL-SNVBAGLBSA-N 1 2 345.334 2.636 20 5 EFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452331597 295962844 /nfs/dbraw/zinc/96/28/44/295962844.db2.gz DUUQTSMYEGHKOI-UHFFFAOYSA-N 1 2 325.328 2.861 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000072979218 216336083 /nfs/dbraw/zinc/33/60/83/216336083.db2.gz VYWQAKFQVCVVRP-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000072979218 216336085 /nfs/dbraw/zinc/33/60/85/216336085.db2.gz VYWQAKFQVCVVRP-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000023736019 212393396 /nfs/dbraw/zinc/39/33/96/212393396.db2.gz QXVCYFMLNLXYSY-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000022759259 212320227 /nfs/dbraw/zinc/32/02/27/212320227.db2.gz AWSGMDSVQGGQEL-UHFFFAOYSA-N 1 2 341.371 2.912 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000429673402 283884916 /nfs/dbraw/zinc/88/49/16/283884916.db2.gz QZCQVUMTKOVBJS-KRWDZBQOSA-N 1 2 329.356 2.558 20 5 EFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195661292 241031754 /nfs/dbraw/zinc/03/17/54/241031754.db2.gz VVBLHVQHZQVCCT-ZQIUZPCESA-N 1 2 349.431 2.976 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C\c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000209972929 241073935 /nfs/dbraw/zinc/07/39/35/241073935.db2.gz SJJWTYUAEWMJRL-HJWRWDBZSA-N 1 2 336.351 2.881 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000230127013 242235472 /nfs/dbraw/zinc/23/54/72/242235472.db2.gz PIFZXIRJQRRKHS-HUUCEWRRSA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000230127013 242235475 /nfs/dbraw/zinc/23/54/75/242235475.db2.gz PIFZXIRJQRRKHS-HUUCEWRRSA-N 1 2 344.371 2.788 20 5 EFBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCn2c[nH+]cc2C1 ZINC000365744275 242332466 /nfs/dbraw/zinc/33/24/66/242332466.db2.gz VWNUCYWTPIEKJP-UHFFFAOYSA-N 1 2 344.374 2.534 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899441 296104194 /nfs/dbraw/zinc/10/41/94/296104194.db2.gz TUPVODPZAYDVDB-OLZOCXBDSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899441 296104196 /nfs/dbraw/zinc/10/41/96/296104196.db2.gz TUPVODPZAYDVDB-OLZOCXBDSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186477305 296105221 /nfs/dbraw/zinc/10/52/21/296105221.db2.gz OIONZOXLYMBHHJ-PXAZEXFGSA-N 1 2 343.383 2.722 20 5 EFBDLO CCNc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000411098578 242708777 /nfs/dbraw/zinc/70/87/77/242708777.db2.gz RNCKPIXIOTVBCC-UHFFFAOYSA-N 1 2 349.416 2.797 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001513 243065928 /nfs/dbraw/zinc/06/59/28/243065928.db2.gz QCYYKAOZZIXKJA-MRXNPFEDSA-N 1 2 342.399 2.682 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001513 243065936 /nfs/dbraw/zinc/06/59/36/243065936.db2.gz QCYYKAOZZIXKJA-MRXNPFEDSA-N 1 2 342.399 2.682 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000411981740 243054672 /nfs/dbraw/zinc/05/46/72/243054672.db2.gz PEJFHABDFIQKDN-VNQPRFMTSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000412032727 243081068 /nfs/dbraw/zinc/08/10/68/243081068.db2.gz REGDSTFKIQDPJD-ZDUSSCGKSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000412032727 243081076 /nfs/dbraw/zinc/08/10/76/243081076.db2.gz REGDSTFKIQDPJD-ZDUSSCGKSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000412032727 243081078 /nfs/dbraw/zinc/08/10/78/243081078.db2.gz REGDSTFKIQDPJD-ZDUSSCGKSA-N 1 2 345.403 2.798 20 5 EFBDLO Cc1nc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000412032727 243081084 /nfs/dbraw/zinc/08/10/84/243081084.db2.gz REGDSTFKIQDPJD-ZDUSSCGKSA-N 1 2 345.403 2.798 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCO[C@H](C)C1 ZINC000245402193 243107139 /nfs/dbraw/zinc/10/71/39/243107139.db2.gz HGHUTBRBUFEJJK-GHMZBOCLSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCO[C@H](C)C1 ZINC000245402193 243107145 /nfs/dbraw/zinc/10/71/45/243107145.db2.gz HGHUTBRBUFEJJK-GHMZBOCLSA-N 1 2 341.795 2.686 20 5 EFBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000412078770 243125754 /nfs/dbraw/zinc/12/57/54/243125754.db2.gz OOPIFEHPQQTPJL-SNVBAGLBSA-N 1 2 344.820 2.586 20 5 EFBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000412078770 243125759 /nfs/dbraw/zinc/12/57/59/243125759.db2.gz OOPIFEHPQQTPJL-SNVBAGLBSA-N 1 2 344.820 2.586 20 5 EFBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000412078769 243126218 /nfs/dbraw/zinc/12/62/18/243126218.db2.gz OOPIFEHPQQTPJL-JTQLQIEISA-N 1 2 344.820 2.586 20 5 EFBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000412078769 243126223 /nfs/dbraw/zinc/12/62/23/243126223.db2.gz OOPIFEHPQQTPJL-JTQLQIEISA-N 1 2 344.820 2.586 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000412392990 243301837 /nfs/dbraw/zinc/30/18/37/243301837.db2.gz COFRFKVEUCCKPV-HPEDKQMDSA-N 1 2 326.356 2.717 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000412334944 243274662 /nfs/dbraw/zinc/27/46/62/243274662.db2.gz MLIYIIMUTLLHOK-XHSDSOJGSA-N 1 2 340.383 2.699 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000412334942 243275859 /nfs/dbraw/zinc/27/58/59/243275859.db2.gz MLIYIIMUTLLHOK-ARFHVFGLSA-N 1 2 340.383 2.699 20 5 EFBDLO Cc1nnc2n1C[C@H](CNc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413135917 243499731 /nfs/dbraw/zinc/49/97/31/243499731.db2.gz XSDNHHDOWOQFIW-LBPRGKRZSA-N 1 2 338.371 2.717 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCO[C@H](CF)C2)c1 ZINC000414479622 244189566 /nfs/dbraw/zinc/18/95/66/244189566.db2.gz SEVADMXPECQOPD-GFCCVEGCSA-N 1 2 334.294 2.757 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCO[C@H](CF)C2)c1 ZINC000414479622 244189571 /nfs/dbraw/zinc/18/95/71/244189571.db2.gz SEVADMXPECQOPD-GFCCVEGCSA-N 1 2 334.294 2.757 20 5 EFBDLO O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458296122 284182126 /nfs/dbraw/zinc/18/21/26/284182126.db2.gz LCVSJLZDYHNELN-XBFCOCLRSA-N 1 2 326.356 2.699 20 5 EFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347934706 296165069 /nfs/dbraw/zinc/16/50/69/296165069.db2.gz KPCLNUGZGPEJEA-CYBMUJFWSA-N 1 2 325.328 2.777 20 5 EFBDLO CN(C)c1[nH+]cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000425322200 247040854 /nfs/dbraw/zinc/04/08/54/247040854.db2.gz GZYUVRJUCPJUGQ-UHFFFAOYSA-N 1 2 329.404 2.559 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000265163811 247261756 /nfs/dbraw/zinc/26/17/56/247261756.db2.gz CESISMAEPSKMKG-UHFFFAOYSA-N 1 2 331.328 2.578 20 5 EFBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(C2CC2)[nH+]1 ZINC000265286220 247371842 /nfs/dbraw/zinc/37/18/42/247371842.db2.gz ANVUJLDBJOXKHS-UHFFFAOYSA-N 1 2 339.399 2.897 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000266066835 248073880 /nfs/dbraw/zinc/07/38/80/248073880.db2.gz DJWIQMVMRFFCMC-UHFFFAOYSA-N 1 2 342.399 2.959 20 5 EFBDLO O=[N+]([O-])c1nn(Cc2[nH+]ccn2-c2ccccc2)cc1Br ZINC000434650236 248174114 /nfs/dbraw/zinc/17/41/14/248174114.db2.gz KFTOGSVJWCYNBZ-UHFFFAOYSA-N 1 2 348.160 2.788 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000010737124 211187013 /nfs/dbraw/zinc/18/70/13/211187013.db2.gz RPEKMSJNPGPVNN-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000442790493 250118344 /nfs/dbraw/zinc/11/83/44/250118344.db2.gz GXYWFSQHUTWEMD-ZDUSSCGKSA-N 1 2 327.344 2.609 20 5 EFBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093227859 218206474 /nfs/dbraw/zinc/20/64/74/218206474.db2.gz IJMZLTOMQCIIQA-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093227859 218206477 /nfs/dbraw/zinc/20/64/77/218206477.db2.gz IJMZLTOMQCIIQA-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4ccccc4[C@H]3CO)nc2c1 ZINC000444672665 250325950 /nfs/dbraw/zinc/32/59/50/250325950.db2.gz ZFLDSVMCBKONMM-QGZVFWFLSA-N 1 2 338.367 2.563 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4ccccc4[C@H]3CO)nc2c1 ZINC000444672665 250325953 /nfs/dbraw/zinc/32/59/53/250325953.db2.gz ZFLDSVMCBKONMM-QGZVFWFLSA-N 1 2 338.367 2.563 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444734567 250337786 /nfs/dbraw/zinc/33/77/86/250337786.db2.gz NNVISRCGDXHSEC-ZANVPECISA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444734567 250337788 /nfs/dbraw/zinc/33/77/88/250337788.db2.gz NNVISRCGDXHSEC-ZANVPECISA-N 1 2 336.285 2.869 20 5 EFBDLO CCC[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449373434 251002140 /nfs/dbraw/zinc/00/21/40/251002140.db2.gz BUSPCFKNSSKWCS-HZPDHXFCSA-N 1 2 332.404 2.822 20 5 EFBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449528911 251054957 /nfs/dbraw/zinc/05/49/57/251054957.db2.gz SYVSINBZEOLHIL-VFADXPBXSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449528911 251054959 /nfs/dbraw/zinc/05/49/59/251054959.db2.gz SYVSINBZEOLHIL-VFADXPBXSA-N 1 2 338.429 2.507 20 5 EFBDLO COc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c([N+](=O)[O-])cc1OC ZINC000449570151 251068716 /nfs/dbraw/zinc/06/87/16/251068716.db2.gz JCCHEIVDMJRTNL-PWSUYJOCSA-N 1 2 332.360 2.604 20 5 EFBDLO CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449944148 251207559 /nfs/dbraw/zinc/20/75/59/251207559.db2.gz GCEZHCJKVXFUBT-GFCCVEGCSA-N 1 2 348.428 2.994 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C2CC2)C1 ZINC000450316938 251342094 /nfs/dbraw/zinc/34/20/94/251342094.db2.gz RRDSHLBFYBAGSL-CQSZACIVSA-N 1 2 326.356 2.653 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450326524 251347388 /nfs/dbraw/zinc/34/73/88/251347388.db2.gz YSCBQVQLGGJLMZ-CHWSQXEVSA-N 1 2 328.372 2.899 20 5 EFBDLO Cc1nc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000450418483 251380879 /nfs/dbraw/zinc/38/08/79/251380879.db2.gz MCRMAVFEHVIBSP-CYBMUJFWSA-N 1 2 345.378 2.716 20 5 EFBDLO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000454380958 252243035 /nfs/dbraw/zinc/24/30/35/252243035.db2.gz YODSKXBZDYAZBD-COPLHBTASA-N 1 2 329.360 2.858 20 5 EFBDLO Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000268797684 252250484 /nfs/dbraw/zinc/25/04/84/252250484.db2.gz CICLZJDOFFZCGC-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1cc(N[C@@H](C)CC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268817292 252269425 /nfs/dbraw/zinc/26/94/25/252269425.db2.gz OCNDABQROYZNTA-BUBHHJDNSA-N 1 2 348.428 2.929 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000339097922 285137459 /nfs/dbraw/zinc/13/74/59/285137459.db2.gz XNFDWLYCWNYCFI-SFHVURJKSA-N 1 2 326.352 2.932 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000339097922 285137462 /nfs/dbraw/zinc/13/74/62/285137462.db2.gz XNFDWLYCWNYCFI-SFHVURJKSA-N 1 2 326.352 2.932 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000411927568 285147767 /nfs/dbraw/zinc/14/77/67/285147767.db2.gz SMMBPLHVRLDEBO-YOEHRIQHSA-N 1 2 338.367 2.779 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000411927568 285147769 /nfs/dbraw/zinc/14/77/69/285147769.db2.gz SMMBPLHVRLDEBO-YOEHRIQHSA-N 1 2 338.367 2.779 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000112664822 220368150 /nfs/dbraw/zinc/36/81/50/220368150.db2.gz QWEOQYOWPYNRHO-UHFFFAOYSA-N 1 2 346.362 2.789 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889477 285154458 /nfs/dbraw/zinc/15/44/58/285154458.db2.gz MKKHYMUPRUABIF-PRHODGIISA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889477 285154462 /nfs/dbraw/zinc/15/44/62/285154462.db2.gz MKKHYMUPRUABIF-PRHODGIISA-N 1 2 338.713 2.993 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c21 ZINC000357332251 285158637 /nfs/dbraw/zinc/15/86/37/285158637.db2.gz FNFQBVWTRRVOKH-CYBMUJFWSA-N 1 2 337.339 2.591 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](Oc4cc[nH+]cc4)C3)c21 ZINC000357332252 285159381 /nfs/dbraw/zinc/15/93/81/285159381.db2.gz FNFQBVWTRRVOKH-ZDUSSCGKSA-N 1 2 337.339 2.591 20 5 EFBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCS1 ZINC000153887848 224172587 /nfs/dbraw/zinc/17/25/87/224172587.db2.gz MCCDKLKTBQLZLQ-INIZCTEOSA-N 1 2 346.412 2.796 20 5 EFBDLO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000154093579 224201598 /nfs/dbraw/zinc/20/15/98/224201598.db2.gz XZWLUBJAFLKMOK-UHFFFAOYSA-N 1 2 343.383 2.504 20 5 EFBDLO COC(=O)c1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459624099 255910704 /nfs/dbraw/zinc/91/07/04/255910704.db2.gz UEKARWWWLRAKSL-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO COc1cc(C[NH2+]C(C)(C)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000459541235 255894644 /nfs/dbraw/zinc/89/46/44/255894644.db2.gz STKQJMKSICQVQT-UHFFFAOYSA-N 1 2 347.362 2.635 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000174539451 533219768 /nfs/dbraw/zinc/21/97/68/533219768.db2.gz ILEJCJPONRKOMK-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000174539451 533219773 /nfs/dbraw/zinc/21/97/73/533219773.db2.gz ILEJCJPONRKOMK-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO CO[C@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000467006539 256008669 /nfs/dbraw/zinc/00/86/69/256008669.db2.gz OYCYPGYIESQPEI-OAHLLOKOSA-N 1 2 330.388 2.865 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCNc1cccc[nH+]1 ZINC000118724453 221174481 /nfs/dbraw/zinc/17/44/81/221174481.db2.gz DWMSGXORENNXQG-UHFFFAOYSA-N 1 2 346.412 2.700 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000118979201 221215965 /nfs/dbraw/zinc/21/59/65/221215965.db2.gz YDTPCJHOJURXLY-NSHDSACASA-N 1 2 346.774 2.652 20 5 EFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000118979970 221216291 /nfs/dbraw/zinc/21/62/91/221216291.db2.gz GEBVIYBXALRUCP-LBPRGKRZSA-N 1 2 346.774 2.652 20 5 EFBDLO COc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1C ZINC000189899977 533559952 /nfs/dbraw/zinc/55/99/52/533559952.db2.gz AWDOGGWOHKRXIF-UHFFFAOYSA-N 1 2 330.344 2.625 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1Cc2ccccc2C1 ZINC000447810897 296503777 /nfs/dbraw/zinc/50/37/77/296503777.db2.gz BLWGXFKUDDNZBM-UHFFFAOYSA-N 1 2 339.395 2.947 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000125994686 141364490 /nfs/dbraw/zinc/36/44/90/141364490.db2.gz KYGSHDICFAOQNM-NHYWBVRUSA-N 1 2 332.335 2.654 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000343238667 141958833 /nfs/dbraw/zinc/95/88/33/141958833.db2.gz ZGHQZMDNSLWQLC-LLVKDONJSA-N 1 2 334.401 2.722 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345007410 142111259 /nfs/dbraw/zinc/11/12/59/142111259.db2.gz FLTAAAKVESRBRS-UHFFFAOYSA-N 1 2 332.335 2.751 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000346146247 142154675 /nfs/dbraw/zinc/15/46/75/142154675.db2.gz HUPMTYMPAYQTMT-UHFFFAOYSA-N 1 2 326.312 2.948 20 5 EFBDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000347630679 142247777 /nfs/dbraw/zinc/24/77/77/142247777.db2.gz FBIUPLFGFYBCBC-CYBMUJFWSA-N 1 2 347.371 2.720 20 5 EFBDLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347669988 142254318 /nfs/dbraw/zinc/25/43/18/142254318.db2.gz XQXCXEGYTDNWIB-GFCCVEGCSA-N 1 2 341.358 2.611 20 5 EFBDLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347669988 142254320 /nfs/dbraw/zinc/25/43/20/142254320.db2.gz XQXCXEGYTDNWIB-GFCCVEGCSA-N 1 2 341.358 2.611 20 5 EFBDLO C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000347987146 142304718 /nfs/dbraw/zinc/30/47/18/142304718.db2.gz BCPSWFWAZBAZJO-LLVKDONJSA-N 1 2 342.330 2.802 20 5 EFBDLO Cc1c(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000348053033 142314028 /nfs/dbraw/zinc/31/40/28/142314028.db2.gz HIDADTFYOAPHMF-CQSZACIVSA-N 1 2 329.360 2.910 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C(F)(F)F ZINC000349405033 142327764 /nfs/dbraw/zinc/32/77/64/142327764.db2.gz GXLBRDMNBNQFNR-SNVBAGLBSA-N 1 2 344.236 2.551 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C(F)(F)F ZINC000349405033 142327765 /nfs/dbraw/zinc/32/77/65/142327765.db2.gz GXLBRDMNBNQFNR-SNVBAGLBSA-N 1 2 344.236 2.551 20 5 EFBDLO Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000349656349 142344026 /nfs/dbraw/zinc/34/40/26/142344026.db2.gz XCUFFFRCIBPETD-UHFFFAOYSA-N 1 2 327.384 2.931 20 5 EFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000340585957 144894638 /nfs/dbraw/zinc/89/46/38/144894638.db2.gz BNDRTNYOKQOBBZ-UHFFFAOYSA-N 1 2 342.380 2.831 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000342414576 145120271 /nfs/dbraw/zinc/12/02/71/145120271.db2.gz MDBVUCDWKGTYQO-UHFFFAOYSA-N 1 2 340.295 2.754 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930746 145223413 /nfs/dbraw/zinc/22/34/13/145223413.db2.gz UWIQEJYAOMKLFZ-UHFFFAOYSA-N 1 2 335.323 2.654 20 5 EFBDLO Cc1ccn2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000344220684 145395062 /nfs/dbraw/zinc/39/50/62/145395062.db2.gz UWBZEDWCUJPWQB-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351667438 146173080 /nfs/dbraw/zinc/17/30/80/146173080.db2.gz IISXKRMLKPGIFL-UHFFFAOYSA-N 1 2 333.323 2.753 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c(F)c1 ZINC000351729746 146189633 /nfs/dbraw/zinc/18/96/33/146189633.db2.gz ICDKCAIBFSFFAK-OAHLLOKOSA-N 1 2 326.274 2.835 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351742497 146192630 /nfs/dbraw/zinc/19/26/30/146192630.db2.gz QTUUOWITAFYNOZ-CYBMUJFWSA-N 1 2 333.323 2.740 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2[nH+]1 ZINC000351842117 146216473 /nfs/dbraw/zinc/21/64/73/146216473.db2.gz JDLGNGYGTUKRCC-UHFFFAOYSA-N 1 2 340.295 2.761 20 5 EFBDLO Cc1[nH]c2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc2[nH+]1 ZINC000351842117 146216474 /nfs/dbraw/zinc/21/64/74/146216474.db2.gz JDLGNGYGTUKRCC-UHFFFAOYSA-N 1 2 340.295 2.761 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351994007 146258224 /nfs/dbraw/zinc/25/82/24/146258224.db2.gz JFAWIEJTUJVSRV-SNVBAGLBSA-N 1 2 343.330 2.519 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351994007 146258225 /nfs/dbraw/zinc/25/82/25/146258225.db2.gz JFAWIEJTUJVSRV-SNVBAGLBSA-N 1 2 343.330 2.519 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351998673 146259964 /nfs/dbraw/zinc/25/99/64/146259964.db2.gz XKILNPBNIDJIOT-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351998673 146259966 /nfs/dbraw/zinc/25/99/66/146259966.db2.gz XKILNPBNIDJIOT-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352017298 146265179 /nfs/dbraw/zinc/26/51/79/146265179.db2.gz FOTGTOMWQVZXHO-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352017298 146265182 /nfs/dbraw/zinc/26/51/82/146265182.db2.gz FOTGTOMWQVZXHO-LLVKDONJSA-N 1 2 327.331 2.819 20 5 EFBDLO COc1c(C(=O)N2CC[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000355657328 147026320 /nfs/dbraw/zinc/02/63/20/147026320.db2.gz JOWWINMDJSRYNX-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO COc1c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000355657328 147026322 /nfs/dbraw/zinc/02/63/22/147026322.db2.gz JOWWINMDJSRYNX-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000355792655 147066085 /nfs/dbraw/zinc/06/60/85/147066085.db2.gz JCZVKBQUHODIMC-UHFFFAOYSA-N 1 2 338.795 2.883 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000355792655 147066086 /nfs/dbraw/zinc/06/60/86/147066086.db2.gz JCZVKBQUHODIMC-UHFFFAOYSA-N 1 2 338.795 2.883 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000355803083 147068970 /nfs/dbraw/zinc/06/89/70/147068970.db2.gz QNMHSVUKTLTDEF-UHFFFAOYSA-N 1 2 338.795 2.883 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000355803083 147068972 /nfs/dbraw/zinc/06/89/72/147068972.db2.gz QNMHSVUKTLTDEF-UHFFFAOYSA-N 1 2 338.795 2.883 20 5 EFBDLO Cc1ccc(Cc2noc(COc3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356128704 147155585 /nfs/dbraw/zinc/15/55/85/147155585.db2.gz AKBMXNMJQOPSOI-UHFFFAOYSA-N 1 2 326.312 2.851 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000359231693 148030388 /nfs/dbraw/zinc/03/03/88/148030388.db2.gz TYNVFCZQYHBRMU-UHFFFAOYSA-N 1 2 339.355 2.703 20 5 EFBDLO CCC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000359443324 148085669 /nfs/dbraw/zinc/08/56/69/148085669.db2.gz ZMEAFEKOJRHCMF-QGZVFWFLSA-N 1 2 349.431 2.956 20 5 EFBDLO COc1cc(CNc2cc3c(c[nH+]2)CCCC3)cc([N+](=O)[O-])c1O ZINC000359467347 148093712 /nfs/dbraw/zinc/09/37/12/148093712.db2.gz MICLOHUYMWNHRQ-UHFFFAOYSA-N 1 2 329.356 2.617 20 5 EFBDLO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000359549070 148118671 /nfs/dbraw/zinc/11/86/71/148118671.db2.gz VRTQUEYSPJXICX-YPMHNXCESA-N 1 2 347.371 2.753 20 5 EFBDLO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000359549068 148118678 /nfs/dbraw/zinc/11/86/78/148118678.db2.gz VRTQUEYSPJXICX-WCQYABFASA-N 1 2 347.371 2.753 20 5 EFBDLO Cc1cc(N[C@H](CO)CC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000360109703 148274101 /nfs/dbraw/zinc/27/41/01/148274101.db2.gz YXKRZFSJYJWJBI-HNNXBMFYSA-N 1 2 342.399 2.745 20 5 EFBDLO Cc1c(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000360512492 148380461 /nfs/dbraw/zinc/38/04/61/148380461.db2.gz CPWZMWKMQCCSJY-SFHVURJKSA-N 1 2 339.395 2.794 20 5 EFBDLO Cc1c(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000360512492 148380465 /nfs/dbraw/zinc/38/04/65/148380465.db2.gz CPWZMWKMQCCSJY-SFHVURJKSA-N 1 2 339.395 2.794 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cccc[nH+]1 ZINC000361375541 148616558 /nfs/dbraw/zinc/61/65/58/148616558.db2.gz JTFPHFABVCLSHL-HNNXBMFYSA-N 1 2 342.399 2.787 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)n1 ZINC000365509199 149413442 /nfs/dbraw/zinc/41/34/42/149413442.db2.gz IWTMLWGDAXXDNL-UHFFFAOYSA-N 1 2 344.419 2.940 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC4(CCC4)C3)n2)cc1 ZINC000368708480 150187205 /nfs/dbraw/zinc/18/72/05/150187205.db2.gz UYVGKDWULXKIRT-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC4(CCC4)C3)n2)cc1 ZINC000368708480 150187207 /nfs/dbraw/zinc/18/72/07/150187207.db2.gz UYVGKDWULXKIRT-UHFFFAOYSA-N 1 2 344.371 2.647 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292805 150322864 /nfs/dbraw/zinc/32/28/64/150322864.db2.gz HPOMRLLOWKHFPD-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000369292805 150322867 /nfs/dbraw/zinc/32/28/67/150322867.db2.gz HPOMRLLOWKHFPD-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO CSc1cccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000372365363 150991739 /nfs/dbraw/zinc/99/17/39/150991739.db2.gz IJIKGFSUMBRCJU-LLVKDONJSA-N 1 2 346.412 2.680 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000373461506 151175076 /nfs/dbraw/zinc/17/50/76/151175076.db2.gz NRSSMJHRNKFJCD-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000373461506 151175079 /nfs/dbraw/zinc/17/50/79/151175079.db2.gz NRSSMJHRNKFJCD-UHFFFAOYSA-N 1 2 347.415 2.734 20 5 EFBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000374242907 151307235 /nfs/dbraw/zinc/30/72/35/151307235.db2.gz DOCSTCYYUSPCLQ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000374242907 151307237 /nfs/dbraw/zinc/30/72/37/151307237.db2.gz DOCSTCYYUSPCLQ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO COc1cc(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1O ZINC000374335653 151326037 /nfs/dbraw/zinc/32/60/37/151326037.db2.gz ZUJLWWIUHAYPFF-OAHLLOKOSA-N 1 2 343.383 2.585 20 5 EFBDLO COc1cc(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1O ZINC000374335653 151326038 /nfs/dbraw/zinc/32/60/38/151326038.db2.gz ZUJLWWIUHAYPFF-OAHLLOKOSA-N 1 2 343.383 2.585 20 5 EFBDLO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000436670619 292254295 /nfs/dbraw/zinc/25/42/95/292254295.db2.gz RCDQREJQEDQFNP-INIZCTEOSA-N 1 2 343.383 2.642 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378408705 152078191 /nfs/dbraw/zinc/07/81/91/152078191.db2.gz JTLIHQGDOMCDIA-ZDUSSCGKSA-N 1 2 334.763 2.878 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378520931 152108136 /nfs/dbraw/zinc/10/81/36/152108136.db2.gz MJHQPOZMJMNEPD-HNNXBMFYSA-N 1 2 339.355 2.705 20 5 EFBDLO CCOc1cccc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000359990574 286573061 /nfs/dbraw/zinc/57/30/61/286573061.db2.gz DCPYWPNHRJGOLW-CQSZACIVSA-N 1 2 345.403 2.600 20 5 EFBDLO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436716629 286786070 /nfs/dbraw/zinc/78/60/70/286786070.db2.gz UKBVSZOTLRUFQY-RISCZKNCSA-N 1 2 347.371 2.753 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000123070040 222209416 /nfs/dbraw/zinc/20/94/16/222209416.db2.gz ZQOKMODGPZUIFD-UHFFFAOYSA-N 1 2 345.359 2.622 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123131439 222221304 /nfs/dbraw/zinc/22/13/04/222221304.db2.gz SSTDFRAAEJQCEJ-CZUORRHYSA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000123807722 222334092 /nfs/dbraw/zinc/33/40/92/222334092.db2.gz PWMVOSRXKBBDRQ-MLGOLLRUSA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000124134812 222380303 /nfs/dbraw/zinc/38/03/03/222380303.db2.gz SSQKBETXAWOFIS-MLGOLLRUSA-N 1 2 328.372 2.823 20 5 EFBDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000171609962 227172522 /nfs/dbraw/zinc/17/25/22/227172522.db2.gz LVKDGKDBTJHGMJ-UHFFFAOYSA-N 1 2 343.387 2.681 20 5 EFBDLO O=C(NC[C@@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068835249 544458966 /nfs/dbraw/zinc/45/89/66/544458966.db2.gz QNSICMBVGGHBHF-CYBMUJFWSA-N 1 2 326.356 2.867 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000192633131 265303289 /nfs/dbraw/zinc/30/32/89/265303289.db2.gz LWURQFXPCXIZEG-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000192633131 265303291 /nfs/dbraw/zinc/30/32/91/265303291.db2.gz LWURQFXPCXIZEG-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271998056 266119342 /nfs/dbraw/zinc/11/93/42/266119342.db2.gz GRRSQUOJENVCGV-RTBURBONSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271998056 266119344 /nfs/dbraw/zinc/11/93/44/266119344.db2.gz GRRSQUOJENVCGV-RTBURBONSA-N 1 2 342.395 2.572 20 5 EFBDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272448018 266268564 /nfs/dbraw/zinc/26/85/64/266268564.db2.gz AKFQDVJCEAFSND-CYBMUJFWSA-N 1 2 344.371 2.537 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272536172 266298557 /nfs/dbraw/zinc/29/85/57/266298557.db2.gz OAEAZGLFJYWYLC-HZPDHXFCSA-N 1 2 330.388 2.576 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000276948774 267083229 /nfs/dbraw/zinc/08/32/29/267083229.db2.gz TYDHMNSVDJPCPU-CQSZACIVSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000276948774 267083232 /nfs/dbraw/zinc/08/32/32/267083232.db2.gz TYDHMNSVDJPCPU-CQSZACIVSA-N 1 2 345.403 2.800 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000277606593 267210631 /nfs/dbraw/zinc/21/06/31/267210631.db2.gz QMZFEDMMMFHVDG-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000277672968 267229814 /nfs/dbraw/zinc/22/98/14/267229814.db2.gz XVDSPHLJMLXYSP-DOMZBBRYSA-N 1 2 344.371 2.523 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000277672986 267229854 /nfs/dbraw/zinc/22/98/54/267229854.db2.gz XVDSPHLJMLXYSP-WFASDCNBSA-N 1 2 344.371 2.523 20 5 EFBDLO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000277693440 267235767 /nfs/dbraw/zinc/23/57/67/267235767.db2.gz CCVVGZKJYIINAN-GFCCVEGCSA-N 1 2 326.418 2.555 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795305 267265641 /nfs/dbraw/zinc/26/56/41/267265641.db2.gz OWADKRIHUPUWQO-GWCFXTLKSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795305 267265643 /nfs/dbraw/zinc/26/56/43/267265643.db2.gz OWADKRIHUPUWQO-GWCFXTLKSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCN(c3cccc[nH+]3)C1)CCN2 ZINC000278151078 267354404 /nfs/dbraw/zinc/35/44/04/267354404.db2.gz BJUUUKYSSAJUJC-GFCCVEGCSA-N 1 2 325.372 2.649 20 5 EFBDLO CN(C)C(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000183798897 273048512 /nfs/dbraw/zinc/04/85/12/273048512.db2.gz ZIEBTTPQNJDJHN-UHFFFAOYSA-N 1 2 336.779 2.568 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000277201085 273150395 /nfs/dbraw/zinc/15/03/95/273150395.db2.gz UQRZVJBCHAVZBJ-ZDUSSCGKSA-N 1 2 330.344 2.694 20 5 EFBDLO CCc1nnc([C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101247 273176902 /nfs/dbraw/zinc/17/69/02/273176902.db2.gz JIVYVFSNCWRENP-DOMZBBRYSA-N 1 2 346.387 2.983 20 5 EFBDLO CCc1nnc([C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101247 273176904 /nfs/dbraw/zinc/17/69/04/273176904.db2.gz JIVYVFSNCWRENP-DOMZBBRYSA-N 1 2 346.387 2.983 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C2CC2)O1 ZINC000279265083 273195083 /nfs/dbraw/zinc/19/50/83/273195083.db2.gz IORCCUKDNVMCEL-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C2CC2)O1 ZINC000279265083 273195085 /nfs/dbraw/zinc/19/50/85/273195085.db2.gz IORCCUKDNVMCEL-ABAIWWIYSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C2CC2)O1 ZINC000279334037 273203921 /nfs/dbraw/zinc/20/39/21/273203921.db2.gz PCEUXZALIUHWGG-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C2CC2)O1 ZINC000279334037 273203922 /nfs/dbraw/zinc/20/39/22/273203922.db2.gz PCEUXZALIUHWGG-IAQYHMDHSA-N 1 2 344.371 2.644 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000279863596 273262011 /nfs/dbraw/zinc/26/20/11/273262011.db2.gz SSRDUOUAAFEKKN-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000279863596 273262012 /nfs/dbraw/zinc/26/20/12/273262012.db2.gz SSRDUOUAAFEKKN-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280192480 273300793 /nfs/dbraw/zinc/30/07/93/273300793.db2.gz HLSYQQQBIUKCCC-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280192480 273300795 /nfs/dbraw/zinc/30/07/95/273300795.db2.gz HLSYQQQBIUKCCC-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280284444 273311377 /nfs/dbraw/zinc/31/13/77/273311377.db2.gz NQMBQAWXJDXOJZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280284444 273311378 /nfs/dbraw/zinc/31/13/78/273311378.db2.gz NQMBQAWXJDXOJZ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000284993162 273922591 /nfs/dbraw/zinc/92/25/91/273922591.db2.gz YNMOIFWQOIIREH-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604475 274035915 /nfs/dbraw/zinc/03/59/15/274035915.db2.gz JYVWFFVAXBINJF-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604475 274035916 /nfs/dbraw/zinc/03/59/16/274035916.db2.gz JYVWFFVAXBINJF-OAHLLOKOSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649308 274045073 /nfs/dbraw/zinc/04/50/73/274045073.db2.gz MEXBBTXOJOYHBM-GJZGRUSLSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649308 274045074 /nfs/dbraw/zinc/04/50/74/274045074.db2.gz MEXBBTXOJOYHBM-GJZGRUSLSA-N 1 2 332.360 2.547 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000285722338 274061001 /nfs/dbraw/zinc/06/10/01/274061001.db2.gz SERZSBPGVFUJDJ-UHFFFAOYSA-N 1 2 326.356 2.519 20 5 EFBDLO CC(=O)c1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000285735445 274063481 /nfs/dbraw/zinc/06/34/81/274063481.db2.gz SZDIQDALRSIEPN-UHFFFAOYSA-N 1 2 326.356 2.519 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000286135026 274140347 /nfs/dbraw/zinc/14/03/47/274140347.db2.gz NCGXTXPRWOSUKD-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286186738 274150102 /nfs/dbraw/zinc/15/01/02/274150102.db2.gz QQTPOCDVGQRKRS-UHFFFAOYSA-N 1 2 334.351 2.661 20 5 EFBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000287490743 274431792 /nfs/dbraw/zinc/43/17/92/274431792.db2.gz KWEOASDHBGPFIA-UHFFFAOYSA-N 1 2 342.355 2.902 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000288202091 274546937 /nfs/dbraw/zinc/54/69/37/274546937.db2.gz STYXEPVXTQQHCH-UHFFFAOYSA-N 1 2 330.392 2.727 20 5 EFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000350177543 275000346 /nfs/dbraw/zinc/00/03/46/275000346.db2.gz RVSJAQKKABRPPM-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154118924 275005946 /nfs/dbraw/zinc/00/59/46/275005946.db2.gz FQZBGAWBDDKOLJ-CYBMUJFWSA-N 1 2 340.383 2.545 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[S@](=O)c1ccccc1)CCO2 ZINC000352621542 275037620 /nfs/dbraw/zinc/03/76/20/275037620.db2.gz QTOULBGHFDNGIN-DEOSSOPVSA-N 1 2 346.408 2.597 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[S@](=O)c1ccccc1)CCO2 ZINC000352621542 275037621 /nfs/dbraw/zinc/03/76/21/275037621.db2.gz QTOULBGHFDNGIN-DEOSSOPVSA-N 1 2 346.408 2.597 20 5 EFBDLO CC(=O)N(C)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413088732 275444675 /nfs/dbraw/zinc/44/46/75/275444675.db2.gz YEOLXWULPJJKEU-UHFFFAOYSA-N 1 2 328.372 2.590 20 5 EFBDLO CC1(C)C[C@H]([NH2+]Cc2nnc3n2CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000433131131 275868891 /nfs/dbraw/zinc/86/88/91/275868891.db2.gz BTBOFJPQURKNFZ-AWEZNQCLSA-N 1 2 327.388 2.645 20 5 EFBDLO COC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000339084681 277064561 /nfs/dbraw/zinc/06/45/61/277064561.db2.gz MFKXHYXVMMYUFL-OAHLLOKOSA-N 1 2 336.388 2.902 20 5 EFBDLO COc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])cc1F ZINC000452331967 277371288 /nfs/dbraw/zinc/37/12/88/277371288.db2.gz LYNIRZRZBABCSM-UHFFFAOYSA-N 1 2 334.307 2.528 20 5 EFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134033329 278370316 /nfs/dbraw/zinc/37/03/16/278370316.db2.gz JDJQIALIWHMFKG-NHYWBVRUSA-N 1 2 331.332 2.787 20 5 EFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797622 292655767 /nfs/dbraw/zinc/65/57/67/292655767.db2.gz OJTSJRZCAKWSJZ-UHFFFAOYSA-N 1 2 338.367 2.823 20 5 EFBDLO CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359988879 279374572 /nfs/dbraw/zinc/37/45/72/279374572.db2.gz VIGSRULSFLEYFG-AWEZNQCLSA-N 1 2 335.795 2.855 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Cl ZINC000154730194 280357648 /nfs/dbraw/zinc/35/76/48/280357648.db2.gz QXDVGMHXAMEIMO-GXTWGEPZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Cl ZINC000154730194 280357649 /nfs/dbraw/zinc/35/76/49/280357649.db2.gz QXDVGMHXAMEIMO-GXTWGEPZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000339152869 280369240 /nfs/dbraw/zinc/36/92/40/280369240.db2.gz GDLAKVGGBSEVOI-CYBMUJFWSA-N 1 2 340.738 2.916 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186158605 280374808 /nfs/dbraw/zinc/37/48/08/280374808.db2.gz KYHPKHPFTCESFE-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339066690 288971564 /nfs/dbraw/zinc/97/15/64/288971564.db2.gz DCOJGDLFYQFZQJ-INIZCTEOSA-N 1 2 343.383 2.610 20 5 EFBDLO C[C@H](O)C[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429204254 290117573 /nfs/dbraw/zinc/11/75/73/290117573.db2.gz OKIGYGSYPDFMAF-UWVGGRQHSA-N 1 2 348.230 2.793 20 5 EFBDLO C[C@H](O)C[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429204254 290117575 /nfs/dbraw/zinc/11/75/75/290117575.db2.gz OKIGYGSYPDFMAF-UWVGGRQHSA-N 1 2 348.230 2.793 20 5 EFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000089312677 292831860 /nfs/dbraw/zinc/83/18/60/292831860.db2.gz PUDWBZMZRCJMRL-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO Cc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000127066891 293057946 /nfs/dbraw/zinc/05/79/46/293057946.db2.gz PKDTYEFZHKJGCO-HNNXBMFYSA-N 1 2 342.355 2.983 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127522158 293071745 /nfs/dbraw/zinc/07/17/45/293071745.db2.gz BNJPOPPVUBNANI-HNNXBMFYSA-N 1 2 328.328 2.675 20 5 EFBDLO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131250766 293191145 /nfs/dbraw/zinc/19/11/45/293191145.db2.gz YWFAALMGPWZCEB-CQSZACIVSA-N 1 2 339.395 2.658 20 5 EFBDLO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131250766 293191147 /nfs/dbraw/zinc/19/11/47/293191147.db2.gz YWFAALMGPWZCEB-CQSZACIVSA-N 1 2 339.395 2.658 20 5 EFBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131353929 293194138 /nfs/dbraw/zinc/19/41/38/293194138.db2.gz RXLSSMWGVJJAGN-CQSZACIVSA-N 1 2 339.395 2.830 20 5 EFBDLO C[C@@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131353929 293194144 /nfs/dbraw/zinc/19/41/44/293194144.db2.gz RXLSSMWGVJJAGN-CQSZACIVSA-N 1 2 339.395 2.830 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000132345033 293224265 /nfs/dbraw/zinc/22/42/65/293224265.db2.gz YFIYSLQIDOJWFR-CYBMUJFWSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361530656 297029224 /nfs/dbraw/zinc/02/92/24/297029224.db2.gz ZZDLLCCFTHYGJB-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361530656 297029225 /nfs/dbraw/zinc/02/92/25/297029225.db2.gz ZZDLLCCFTHYGJB-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO CC(C)n1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000290175927 294018617 /nfs/dbraw/zinc/01/86/17/294018617.db2.gz YTJRQIRPJSWEAF-UHFFFAOYSA-N 1 2 345.403 2.811 20 5 EFBDLO Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290946311 294227549 /nfs/dbraw/zinc/22/75/49/294227549.db2.gz LLIORRAANLDOCG-UHFFFAOYSA-N 1 2 346.362 2.886 20 5 EFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000291053874 294260016 /nfs/dbraw/zinc/26/00/16/294260016.db2.gz DZIRLSIYRYDQEG-BXUZGUMPSA-N 1 2 325.796 2.548 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000364523008 294456738 /nfs/dbraw/zinc/45/67/38/294456738.db2.gz MKUQUHGQRGAGJH-UHFFFAOYSA-N 1 2 336.342 2.986 20 5 EFBDLO CC[C@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC ZINC000293173235 294898269 /nfs/dbraw/zinc/89/82/69/294898269.db2.gz NMPVLTRKQJWOJJ-KRWDZBQOSA-N 1 2 347.371 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000293738162 295038940 /nfs/dbraw/zinc/03/89/40/295038940.db2.gz HJSSVHWYUVSDJR-UHFFFAOYSA-N 1 2 346.305 2.953 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000293738162 295038943 /nfs/dbraw/zinc/03/89/43/295038943.db2.gz HJSSVHWYUVSDJR-UHFFFAOYSA-N 1 2 346.305 2.953 20 5 EFBDLO C[N@H+](CCF)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000293766863 295045110 /nfs/dbraw/zinc/04/51/10/295045110.db2.gz YFOXCPIJWLYDMD-UHFFFAOYSA-N 1 2 338.120 2.601 20 5 EFBDLO C[N@@H+](CCF)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000293766863 295045111 /nfs/dbraw/zinc/04/51/11/295045111.db2.gz YFOXCPIJWLYDMD-UHFFFAOYSA-N 1 2 338.120 2.601 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294324633 295147663 /nfs/dbraw/zinc/14/76/63/295147663.db2.gz DKXICRDSCQDZHV-SECBINFHSA-N 1 2 342.277 2.629 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000294698025 295210556 /nfs/dbraw/zinc/21/05/56/295210556.db2.gz UYLOAPLEKRRMFP-UHFFFAOYSA-N 1 2 329.356 2.592 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295128793 295271856 /nfs/dbraw/zinc/27/18/56/295271856.db2.gz OFRROLKBHRBRHA-LBPRGKRZSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295128793 295271857 /nfs/dbraw/zinc/27/18/57/295271857.db2.gz OFRROLKBHRBRHA-LBPRGKRZSA-N 1 2 327.768 2.521 20 5 EFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000192773762 295357155 /nfs/dbraw/zinc/35/71/55/295357155.db2.gz CMGDMPVSOKXDAP-GOSISDBHSA-N 1 2 342.399 2.662 20 5 EFBDLO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000295907852 295395068 /nfs/dbraw/zinc/39/50/68/295395068.db2.gz NVTKYXKZKILODS-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000295909083 295395197 /nfs/dbraw/zinc/39/51/97/295395197.db2.gz IUPQUNQDOMIPJJ-MRXNPFEDSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000295909083 295395199 /nfs/dbraw/zinc/39/51/99/295395199.db2.gz IUPQUNQDOMIPJJ-MRXNPFEDSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000295909083 295395201 /nfs/dbraw/zinc/39/52/01/295395201.db2.gz IUPQUNQDOMIPJJ-MRXNPFEDSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000295909083 295395203 /nfs/dbraw/zinc/39/52/03/295395203.db2.gz IUPQUNQDOMIPJJ-MRXNPFEDSA-N 1 2 340.387 2.813 20 5 EFBDLO COc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295984323 295407046 /nfs/dbraw/zinc/40/70/46/295407046.db2.gz UDMHFSNFENDATN-AWEZNQCLSA-N 1 2 344.371 2.560 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296238875 295446094 /nfs/dbraw/zinc/44/60/94/295446094.db2.gz KGOCPABUQQOHAG-AWEZNQCLSA-N 1 2 343.387 2.621 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(c2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000296260132 295449346 /nfs/dbraw/zinc/44/93/46/295449346.db2.gz JLWKSDGTVVRTAC-LLVKDONJSA-N 1 2 344.400 2.921 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436885002 297358206 /nfs/dbraw/zinc/35/82/06/297358206.db2.gz MBICLDXUMWGGFS-OKILXGFUSA-N 1 2 349.431 2.788 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436885002 297358207 /nfs/dbraw/zinc/35/82/07/297358207.db2.gz MBICLDXUMWGGFS-OKILXGFUSA-N 1 2 349.431 2.788 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134638358 310644760 /nfs/dbraw/zinc/64/47/60/310644760.db2.gz PFDNCAWHHHTFRG-AWEZNQCLSA-N 1 2 342.399 2.789 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000298681312 311014085 /nfs/dbraw/zinc/01/40/85/311014085.db2.gz YQRXYHAULKCGSE-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707178 311016491 /nfs/dbraw/zinc/01/64/91/311016491.db2.gz ABQFXXMUUHYWNW-AAEUAGOBSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707178 311016492 /nfs/dbraw/zinc/01/64/92/311016492.db2.gz ABQFXXMUUHYWNW-AAEUAGOBSA-N 1 2 332.360 2.644 20 5 EFBDLO CCn1cnnc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299391474 311080258 /nfs/dbraw/zinc/08/02/58/311080258.db2.gz KWHVJSCIDOMJTK-UHFFFAOYSA-N 1 2 339.359 2.584 20 5 EFBDLO Cc1cc(NC[C@@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299392255 311080305 /nfs/dbraw/zinc/08/03/05/311080305.db2.gz LCCNIILUZGFWEK-LLVKDONJSA-N 1 2 342.277 2.695 20 5 EFBDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299428581 311083901 /nfs/dbraw/zinc/08/39/01/311083901.db2.gz MRYCEIUHNWTBMB-UHFFFAOYSA-N 1 2 346.412 2.724 20 5 EFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299475226 311088808 /nfs/dbraw/zinc/08/88/08/311088808.db2.gz VSDFFJWKJFLAGT-AWEZNQCLSA-N 1 2 340.383 2.509 20 5 EFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299475228 311088829 /nfs/dbraw/zinc/08/88/29/311088829.db2.gz VSDFFJWKJFLAGT-CQSZACIVSA-N 1 2 340.383 2.509 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301202924 311124493 /nfs/dbraw/zinc/12/44/93/311124493.db2.gz XJAVCTOCIDLSOS-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301790763 311158470 /nfs/dbraw/zinc/15/84/70/311158470.db2.gz RDSMMYKBOYHTJE-UKRRQHHQSA-N 1 2 342.399 2.957 20 5 EFBDLO CS(=O)(=O)c1cccc(Sc2[nH+]cc3ccccn32)c1[N+](=O)[O-] ZINC000301857328 311162909 /nfs/dbraw/zinc/16/29/09/311162909.db2.gz BGWJMXTVEDNGGS-UHFFFAOYSA-N 1 2 349.393 2.797 20 5 EFBDLO O=[N+]([O-])c1ccsc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000301935397 311167764 /nfs/dbraw/zinc/16/77/64/311167764.db2.gz PGDSIFVWHHRWHJ-UHFFFAOYSA-N 1 2 343.412 2.626 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000301942216 311167992 /nfs/dbraw/zinc/16/79/92/311167992.db2.gz WTPGHNINKDZXOM-NSHDSACASA-N 1 2 334.401 2.889 20 5 EFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000302136267 311179786 /nfs/dbraw/zinc/17/97/86/311179786.db2.gz BDHIBFGTTNCITQ-MNOVXSKESA-N 1 2 345.346 2.717 20 5 EFBDLO Cc1cc(NCCc2ccnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302155098 311181338 /nfs/dbraw/zinc/18/13/38/311181338.db2.gz NCMAXJNESKGBEF-UHFFFAOYSA-N 1 2 338.371 2.748 20 5 EFBDLO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302391937 311189046 /nfs/dbraw/zinc/18/90/46/311189046.db2.gz IKFQRDSBFRKCTC-NHYWBVRUSA-N 1 2 328.372 2.567 20 5 EFBDLO CCN(CC)c1ccc(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000302745523 311199014 /nfs/dbraw/zinc/19/90/14/311199014.db2.gz FKEUJASZAZRHJC-UHFFFAOYSA-N 1 2 345.359 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302916987 311208535 /nfs/dbraw/zinc/20/85/35/311208535.db2.gz WOWHGJRTBHUMKF-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302916987 311208536 /nfs/dbraw/zinc/20/85/36/311208536.db2.gz WOWHGJRTBHUMKF-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(F)c1 ZINC000305188134 311218917 /nfs/dbraw/zinc/21/89/17/311218917.db2.gz XPTJESJSJNIUBF-ZDUSSCGKSA-N 1 2 336.285 2.869 20 5 EFBDLO C[C@H]1[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1(C)C ZINC000331052638 311350963 /nfs/dbraw/zinc/35/09/63/311350963.db2.gz JGGWAIIOKAPVDU-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1(C)C ZINC000331052638 311350965 /nfs/dbraw/zinc/35/09/65/311350965.db2.gz JGGWAIIOKAPVDU-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280579 311364569 /nfs/dbraw/zinc/36/45/69/311364569.db2.gz UGRSNZCERLVWCD-ZYHUDNBSSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280579 311364571 /nfs/dbraw/zinc/36/45/71/311364571.db2.gz UGRSNZCERLVWCD-ZYHUDNBSSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314173 311367247 /nfs/dbraw/zinc/36/72/47/311367247.db2.gz IDOJEOKITWVNDK-SWLSCSKDSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314173 311367249 /nfs/dbraw/zinc/36/72/49/311367249.db2.gz IDOJEOKITWVNDK-SWLSCSKDSA-N 1 2 335.404 2.669 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1CC1CC1)CCCC2 ZINC000417329209 312209612 /nfs/dbraw/zinc/20/96/12/312209612.db2.gz HLQYPFLNAKRISH-INIZCTEOSA-N 1 2 342.403 2.549 20 5 EFBDLO COc1cc(C[NH2+][C@@H]2COCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000418099898 312325539 /nfs/dbraw/zinc/32/55/39/312325539.db2.gz OHVWMRCCLAZKIT-CQSZACIVSA-N 1 2 330.340 2.670 20 5 EFBDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc(C)[nH+]1 ZINC000420654661 312379625 /nfs/dbraw/zinc/37/96/25/312379625.db2.gz QEVNKKQDLUBLPU-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458133459 313076927 /nfs/dbraw/zinc/07/69/27/313076927.db2.gz PGZUHJJXXPFKBJ-WBVHZDCISA-N 1 2 328.372 2.945 20 5 EFBDLO CCc1cc(NC[C@@](C)(O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000484645006 313321031 /nfs/dbraw/zinc/32/10/31/313321031.db2.gz QVYNWEQSXQWQKL-GOSISDBHSA-N 1 2 342.399 2.609 20 5 EFBDLO Cn1c2ccccc2[nH+]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487902478 313436933 /nfs/dbraw/zinc/43/69/33/313436933.db2.gz YNYNQQCRTDWBTC-UHFFFAOYSA-N 1 2 334.335 2.845 20 5 EFBDLO CCc1cc(NC[C@@H](O)[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488183866 313465842 /nfs/dbraw/zinc/46/58/42/313465842.db2.gz XRNIOSOQLRJOOQ-MLGOLLRUSA-N 1 2 344.415 2.855 20 5 EFBDLO CC[C@@]1(O)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000490101414 313633282 /nfs/dbraw/zinc/63/32/82/313633282.db2.gz WXCAKYJUZQFHDT-QGZVFWFLSA-N 1 2 328.372 2.711 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492798701 314129467 /nfs/dbraw/zinc/12/94/67/314129467.db2.gz KKTJQUYBHDSXIC-VCELZJIISA-N 1 2 326.356 2.609 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)/C=C\c3ccccc3[N+](=O)[O-])cn21 ZINC000492802306 314130978 /nfs/dbraw/zinc/13/09/78/314130978.db2.gz SHSPSROPXBZNBU-KTKRTIGZSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492927389 314180718 /nfs/dbraw/zinc/18/07/18/314180718.db2.gz WIJPTZJDIMHNEI-YWEYNIOJSA-N 1 2 349.350 2.887 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492930817 314182415 /nfs/dbraw/zinc/18/24/15/314182415.db2.gz WHOVXPVRHJQJBT-ALCCZGGFSA-N 1 2 349.350 2.887 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000492972402 314196950 /nfs/dbraw/zinc/19/69/50/314196950.db2.gz JRPJZBUVILRFLL-ZHRWSRJISA-N 1 2 326.356 2.802 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493029587 314217140 /nfs/dbraw/zinc/21/71/40/314217140.db2.gz WHVJNRIJSBQILL-XITLMJRVSA-N 1 2 340.383 2.951 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])[nH+]1 ZINC000493187600 314269764 /nfs/dbraw/zinc/26/97/64/314269764.db2.gz MNXFUKSRFJBJEZ-FNORWQNLSA-N 1 2 332.335 2.830 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000493221550 314281880 /nfs/dbraw/zinc/28/18/80/314281880.db2.gz PJKXMNVTNFXGAR-YFCVBGDOSA-N 1 2 330.369 2.605 20 5 EFBDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000494371834 314579496 /nfs/dbraw/zinc/57/94/96/314579496.db2.gz UBVYOXWWXMPWPI-SNVBAGLBSA-N 1 2 344.400 2.698 20 5 EFBDLO Cc1ccc(NCCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517239750 315749654 /nfs/dbraw/zinc/74/96/54/315749654.db2.gz SOFKSTFGOWLEDK-CQSZACIVSA-N 1 2 345.403 2.669 20 5 EFBDLO CCOc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000521257003 316012069 /nfs/dbraw/zinc/01/20/69/316012069.db2.gz BPBRQPVRNVZMDY-UHFFFAOYSA-N 1 2 332.360 2.690 20 5 EFBDLO Cc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])c(C)n3)ccc2n1C1CC1 ZINC000521899372 316051493 /nfs/dbraw/zinc/05/14/93/316051493.db2.gz ULEXLPNBSQQWLG-UHFFFAOYSA-N 1 2 338.371 2.720 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000533012965 317463031 /nfs/dbraw/zinc/46/30/31/317463031.db2.gz OYZWHAUQSMUXJJ-UHFFFAOYSA-N 1 2 340.261 2.507 20 5 EFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000547323702 317996425 /nfs/dbraw/zinc/99/64/25/317996425.db2.gz UZWOCVPSGYIHNE-GFCCVEGCSA-N 1 2 348.428 2.514 20 5 EFBDLO CC1(C)CC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000547729097 318034800 /nfs/dbraw/zinc/03/48/00/318034800.db2.gz CGIZUXUUDXDLPJ-UHFFFAOYSA-N 1 2 328.372 2.947 20 5 EFBDLO CCOC(=O)c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000551995213 318234709 /nfs/dbraw/zinc/23/47/09/318234709.db2.gz OUNPWWLZILOQSQ-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO CCOC(=O)c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000551995213 318234710 /nfs/dbraw/zinc/23/47/10/318234710.db2.gz OUNPWWLZILOQSQ-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO Cc1cc(N[C@H]2CSC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553676169 318290502 /nfs/dbraw/zinc/29/05/02/318290502.db2.gz FVIKTZDTQYNIHI-YGRLFVJLSA-N 1 2 330.413 2.946 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000555300318 318352255 /nfs/dbraw/zinc/35/22/55/318352255.db2.gz CULWWCITSAHTJF-UHFFFAOYSA-N 1 2 333.413 2.680 20 5 EFBDLO C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000555726669 318367261 /nfs/dbraw/zinc/36/72/61/318367261.db2.gz WCVPSRZXPZVZBX-ZDUSSCGKSA-N 1 2 342.399 2.590 20 5 EFBDLO CCc1cc(NC[C@H](OC)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000558966062 318498450 /nfs/dbraw/zinc/49/84/50/318498450.db2.gz UMDUXFLEKHCFJE-INIZCTEOSA-N 1 2 342.399 2.873 20 5 EFBDLO C[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000562301484 318632264 /nfs/dbraw/zinc/63/22/64/318632264.db2.gz DCBZGYRUMFGRFN-ZDUSSCGKSA-N 1 2 342.399 2.890 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000566474193 319081652 /nfs/dbraw/zinc/08/16/52/319081652.db2.gz FSPVXBMPFFZJRU-INIZCTEOSA-N 1 2 340.383 2.926 20 5 EFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCCn1cc[nH+]c1 ZINC000570897960 319521924 /nfs/dbraw/zinc/52/19/24/319521924.db2.gz FZBWLFDYMPWAFJ-UHFFFAOYSA-N 1 2 341.371 2.662 20 5 EFBDLO C[C@H](C(=O)NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000571477563 319577423 /nfs/dbraw/zinc/57/74/23/319577423.db2.gz JBQSYKBWHUJDRF-ZDUSSCGKSA-N 1 2 328.372 2.712 20 5 EFBDLO C[C@@H]1OCC[C@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000579566727 323984900 /nfs/dbraw/zinc/98/49/00/323984900.db2.gz XLTOYCRWZRVVHU-SJCJKPOMSA-N 1 2 329.356 2.527 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000184987421 473293131 /nfs/dbraw/zinc/29/31/31/473293131.db2.gz SMJBOOVEGKNXLX-LLVKDONJSA-N 1 2 346.412 2.600 20 5 EFBDLO COCCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600781744 468656487 /nfs/dbraw/zinc/65/64/87/468656487.db2.gz HFJUXEDEOYJNTL-UHFFFAOYSA-N 1 2 331.372 2.988 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190531172 473307548 /nfs/dbraw/zinc/30/75/48/473307548.db2.gz RWTPIPASDDNPMV-GFCCVEGCSA-N 1 2 335.404 2.811 20 5 EFBDLO COc1cccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c1[N+](=O)[O-] ZINC000185171607 473351343 /nfs/dbraw/zinc/35/13/43/473351343.db2.gz IAMASGQTWHGOAH-UHFFFAOYSA-N 1 2 346.387 2.530 20 5 EFBDLO C[N@H+](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000355432093 475932733 /nfs/dbraw/zinc/93/27/33/475932733.db2.gz VZKAFMCBHSJIAB-UHFFFAOYSA-N 1 2 339.355 2.859 20 5 EFBDLO C[N@@H+](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000355432093 475932743 /nfs/dbraw/zinc/93/27/43/475932743.db2.gz VZKAFMCBHSJIAB-UHFFFAOYSA-N 1 2 339.355 2.859 20 5 EFBDLO CCc1nn(C)c(CC)c1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459624113 478014659 /nfs/dbraw/zinc/01/46/59/478014659.db2.gz UIKMQMLCDNZMGW-UHFFFAOYSA-N 1 2 344.415 2.716 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000005728732 471518478 /nfs/dbraw/zinc/51/84/78/471518478.db2.gz VZPNAFAOAUHUII-ZDUSSCGKSA-N 1 2 327.340 2.693 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c2ncccc12 ZINC000007099885 471590907 /nfs/dbraw/zinc/59/09/07/471590907.db2.gz SJPNWOOONUTOFI-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000007378701 471609740 /nfs/dbraw/zinc/60/97/40/471609740.db2.gz PAWLWAUUTZDGAU-CYBMUJFWSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000007378701 471609745 /nfs/dbraw/zinc/60/97/45/471609745.db2.gz PAWLWAUUTZDGAU-CYBMUJFWSA-N 1 2 325.368 2.980 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000007846782 471642864 /nfs/dbraw/zinc/64/28/64/471642864.db2.gz CODWLNLDJHBAHF-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000007846782 471642871 /nfs/dbraw/zinc/64/28/71/471642871.db2.gz CODWLNLDJHBAHF-UHFFFAOYSA-N 1 2 335.385 2.735 20 5 EFBDLO CCOc1cc(C(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000010165098 471729796 /nfs/dbraw/zinc/72/97/96/471729796.db2.gz OIMPVOVJOQEITE-UHFFFAOYSA-N 1 2 331.328 2.958 20 5 EFBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015416798 471904545 /nfs/dbraw/zinc/90/45/45/471904545.db2.gz GNTNFAUTMMUDHR-GFCCVEGCSA-N 1 2 329.356 2.840 20 5 EFBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015416798 471904549 /nfs/dbraw/zinc/90/45/49/471904549.db2.gz GNTNFAUTMMUDHR-GFCCVEGCSA-N 1 2 329.356 2.840 20 5 EFBDLO COc1cccc([C@@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000017591123 471962831 /nfs/dbraw/zinc/96/28/31/471962831.db2.gz RXPUMKIBHXDDBV-OAHLLOKOSA-N 1 2 339.355 2.933 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000017744920 471963622 /nfs/dbraw/zinc/96/36/22/471963622.db2.gz GIFARXNZGBTARS-UHFFFAOYSA-N 1 2 330.344 2.538 20 5 EFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000033229292 471979184 /nfs/dbraw/zinc/97/91/84/471979184.db2.gz RSLBWYTXYNJHJP-GFCCVEGCSA-N 1 2 337.339 2.667 20 5 EFBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000022874881 472022852 /nfs/dbraw/zinc/02/28/52/472022852.db2.gz LCCWOMZLUZILCP-UHFFFAOYSA-N 1 2 327.300 2.805 20 5 EFBDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000023606607 472036120 /nfs/dbraw/zinc/03/61/20/472036120.db2.gz CYJYSXLTBCBYRD-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000023606607 472036123 /nfs/dbraw/zinc/03/61/23/472036123.db2.gz CYJYSXLTBCBYRD-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053897280 472041408 /nfs/dbraw/zinc/04/14/08/472041408.db2.gz DYGLMSYNBPDGMJ-JTQLQIEISA-N 1 2 341.795 2.686 20 5 EFBDLO COC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053897281 472041489 /nfs/dbraw/zinc/04/14/89/472041489.db2.gz DYGLMSYNBPDGMJ-SNVBAGLBSA-N 1 2 341.795 2.686 20 5 EFBDLO COc1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000041284686 472053106 /nfs/dbraw/zinc/05/31/06/472053106.db2.gz HGWSLEUILQHWNO-UHFFFAOYSA-N 1 2 340.339 2.900 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054147485 472061933 /nfs/dbraw/zinc/06/19/33/472061933.db2.gz BYBCUNGBLNAYNZ-UHFFFAOYSA-N 1 2 342.330 2.822 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000054455227 472089726 /nfs/dbraw/zinc/08/97/26/472089726.db2.gz DUFHQUBJYULLPX-UHFFFAOYSA-N 1 2 330.388 2.909 20 5 EFBDLO COc1ccc(CSc2[nH+]cnc3c2cnn3C)cc1[N+](=O)[O-] ZINC000042155154 472118316 /nfs/dbraw/zinc/11/83/16/472118316.db2.gz YWEAHJPZJWDYSC-UHFFFAOYSA-N 1 2 331.357 2.572 20 5 EFBDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000026000237 472120197 /nfs/dbraw/zinc/12/01/97/472120197.db2.gz WLVXGIOJQQPWPV-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348452 472133466 /nfs/dbraw/zinc/13/34/66/472133466.db2.gz SLQOUVQGTUBHHI-KRWDZBQOSA-N 1 2 327.384 2.856 20 5 EFBDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348452 472133471 /nfs/dbraw/zinc/13/34/71/472133471.db2.gz SLQOUVQGTUBHHI-KRWDZBQOSA-N 1 2 327.384 2.856 20 5 EFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000068197908 472148518 /nfs/dbraw/zinc/14/85/18/472148518.db2.gz SGRMXRNFACUDAK-UHFFFAOYSA-N 1 2 347.396 2.741 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534151 472151799 /nfs/dbraw/zinc/15/17/99/472151799.db2.gz DPMIUMIJIHHLHX-GFCCVEGCSA-N 1 2 339.355 2.819 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000075632409 472172965 /nfs/dbraw/zinc/17/29/65/472172965.db2.gz MZURVDQSQZLJMP-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000068408430 472184204 /nfs/dbraw/zinc/18/42/04/472184204.db2.gz SLDUSMYCPXYKFT-CQSZACIVSA-N 1 2 345.403 2.800 20 5 EFBDLO NC(=O)c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000028625127 472230829 /nfs/dbraw/zinc/23/08/29/472230829.db2.gz QKUIAPSNFKLVAN-UHFFFAOYSA-N 1 2 339.355 2.615 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000029068177 472247802 /nfs/dbraw/zinc/24/78/02/472247802.db2.gz BGWIOLZDHMCKFJ-AWEZNQCLSA-N 1 2 342.380 2.909 20 5 EFBDLO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029140799 472254075 /nfs/dbraw/zinc/25/40/75/472254075.db2.gz ROLLUZAEKRJCKP-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029140799 472254082 /nfs/dbraw/zinc/25/40/82/472254082.db2.gz ROLLUZAEKRJCKP-UHFFFAOYSA-N 1 2 347.346 2.683 20 5 EFBDLO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000029149695 472254847 /nfs/dbraw/zinc/25/48/47/472254847.db2.gz KNQDRRDTAHHEBL-UHFFFAOYSA-N 1 2 343.383 2.853 20 5 EFBDLO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000029149695 472254852 /nfs/dbraw/zinc/25/48/52/472254852.db2.gz KNQDRRDTAHHEBL-UHFFFAOYSA-N 1 2 343.383 2.853 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]c4ccncc43)CC2)c1 ZINC000085657285 472262268 /nfs/dbraw/zinc/26/22/68/472262268.db2.gz ITHQXOJCJOSFJU-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO C[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000043784089 472263127 /nfs/dbraw/zinc/26/31/27/472263127.db2.gz ZFZJONXOEIGNAY-UHFFFAOYSA-N 1 2 345.374 2.525 20 5 EFBDLO C[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000043784089 472263133 /nfs/dbraw/zinc/26/31/33/472263133.db2.gz ZFZJONXOEIGNAY-UHFFFAOYSA-N 1 2 345.374 2.525 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000029585884 472282929 /nfs/dbraw/zinc/28/29/29/472282929.db2.gz BJPAUVCEJBJABO-UHFFFAOYSA-N 1 2 334.351 2.661 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069152 472286672 /nfs/dbraw/zinc/28/66/72/472286672.db2.gz MGLXOFNLJFSXLL-NSHDSACASA-N 1 2 333.344 2.828 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069152 472286678 /nfs/dbraw/zinc/28/66/78/472286678.db2.gz MGLXOFNLJFSXLL-NSHDSACASA-N 1 2 333.344 2.828 20 5 EFBDLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178339 472290680 /nfs/dbraw/zinc/29/06/80/472290680.db2.gz DMOXBVMOGLZODS-QGZVFWFLSA-N 1 2 325.368 2.704 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1cn2ccccc2[nH+]1 ZINC000087034750 472300092 /nfs/dbraw/zinc/30/00/92/472300092.db2.gz AJXQMOLWYRBBDE-UHFFFAOYSA-N 1 2 338.367 2.534 20 5 EFBDLO Cc1ccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000056358662 472311454 /nfs/dbraw/zinc/31/14/54/472311454.db2.gz KEEBHJKJCURRLO-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540557 472338923 /nfs/dbraw/zinc/33/89/23/472338923.db2.gz MEXSNLBJFHRTKP-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO COc1ccc(OC)c2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000030588392 472341613 /nfs/dbraw/zinc/34/16/13/472341613.db2.gz OGDHBVBESHOCDO-HNNXBMFYSA-N 1 2 344.367 2.661 20 5 EFBDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000030588392 472341618 /nfs/dbraw/zinc/34/16/18/472341618.db2.gz OGDHBVBESHOCDO-HNNXBMFYSA-N 1 2 344.367 2.661 20 5 EFBDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076407787 472342118 /nfs/dbraw/zinc/34/21/18/472342118.db2.gz UQQYCGNOEJMKGK-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076407787 472342123 /nfs/dbraw/zinc/34/21/23/472342123.db2.gz UQQYCGNOEJMKGK-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000088607442 472377751 /nfs/dbraw/zinc/37/77/51/472377751.db2.gz KDQHFTKNBIHTBU-AWEZNQCLSA-N 1 2 333.432 2.987 20 5 EFBDLO CC(C)N(C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000088607442 472377755 /nfs/dbraw/zinc/37/77/55/472377755.db2.gz KDQHFTKNBIHTBU-AWEZNQCLSA-N 1 2 333.432 2.987 20 5 EFBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605835 472378192 /nfs/dbraw/zinc/37/81/92/472378192.db2.gz DLRWVYAGSLEKHW-SUMWQHHRSA-N 1 2 331.416 2.648 20 5 EFBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605835 472378197 /nfs/dbraw/zinc/37/81/97/472378197.db2.gz DLRWVYAGSLEKHW-SUMWQHHRSA-N 1 2 331.416 2.648 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000057138841 472384788 /nfs/dbraw/zinc/38/47/88/472384788.db2.gz XHZUNZPBQGPENH-LBPRGKRZSA-N 1 2 346.362 2.966 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000057267810 472407450 /nfs/dbraw/zinc/40/74/50/472407450.db2.gz DFUJTHHNFYNTTD-UITAMQMPSA-N 1 2 336.351 2.881 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])cn2c1 ZINC000057267815 472407602 /nfs/dbraw/zinc/40/76/02/472407602.db2.gz RWJQMSNBYIGDRW-VQHVLOKHSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089301691 472408848 /nfs/dbraw/zinc/40/88/48/472408848.db2.gz MOHSWRDWMSGFML-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)cc1 ZINC000076871975 472417623 /nfs/dbraw/zinc/41/76/23/472417623.db2.gz ALDNESNFVWPFLG-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000128224541 472420814 /nfs/dbraw/zinc/42/08/14/472420814.db2.gz RNDTVKINHPZKTL-NSHDSACASA-N 1 2 347.337 2.672 20 5 EFBDLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000128224541 472420820 /nfs/dbraw/zinc/42/08/20/472420820.db2.gz RNDTVKINHPZKTL-NSHDSACASA-N 1 2 347.337 2.672 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000032769329 472466005 /nfs/dbraw/zinc/46/60/05/472466005.db2.gz AMUMVFVARAHECN-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO Cc1cc(NCCC(=O)NC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826202 472479238 /nfs/dbraw/zinc/47/92/38/472479238.db2.gz RNVUVUHZJARPRB-UHFFFAOYSA-N 1 2 343.387 2.687 20 5 EFBDLO Cc1cc(NCC(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825726 472479560 /nfs/dbraw/zinc/47/95/60/472479560.db2.gz GPLBCWFHBRYTGW-UHFFFAOYSA-N 1 2 343.387 2.687 20 5 EFBDLO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000057838281 472482058 /nfs/dbraw/zinc/48/20/58/472482058.db2.gz ZDKNTNGARXMLCS-LLVKDONJSA-N 1 2 346.353 2.661 20 5 EFBDLO C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359215 472512206 /nfs/dbraw/zinc/51/22/06/472512206.db2.gz IICLUFCWELGOAD-AWEZNQCLSA-N 1 2 340.383 2.509 20 5 EFBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155163133 472515433 /nfs/dbraw/zinc/51/54/33/472515433.db2.gz AGWJHCOJKJSESM-UHFFFAOYSA-N 1 2 337.395 2.909 20 5 EFBDLO CN(C)c1ccc(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000058244000 472524983 /nfs/dbraw/zinc/52/49/83/472524983.db2.gz ZGJUMVPABONBIC-VMPITWQZSA-N 1 2 344.346 2.525 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000119373690 472550882 /nfs/dbraw/zinc/55/08/82/472550882.db2.gz LFSCRNDSDLMAAS-UONOGXRCSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000119373690 472550888 /nfs/dbraw/zinc/55/08/88/472550888.db2.gz LFSCRNDSDLMAAS-UONOGXRCSA-N 1 2 328.821 2.955 20 5 EFBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000046387034 472552691 /nfs/dbraw/zinc/55/26/91/472552691.db2.gz SUGJQWAWOVWMGD-UHFFFAOYSA-N 1 2 334.763 2.639 20 5 EFBDLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000077975055 472645754 /nfs/dbraw/zinc/64/57/54/472645754.db2.gz DKKYFXIDEVKLAF-MRXNPFEDSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000077975055 472645758 /nfs/dbraw/zinc/64/57/58/472645758.db2.gz DKKYFXIDEVKLAF-MRXNPFEDSA-N 1 2 340.383 2.901 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155998359 472653106 /nfs/dbraw/zinc/65/31/06/472653106.db2.gz ZKEBOUOJLRENHL-NSHDSACASA-N 1 2 348.790 2.666 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131458749 472672315 /nfs/dbraw/zinc/67/23/15/472672315.db2.gz VCFJHNPKTCTCFZ-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131458749 472672319 /nfs/dbraw/zinc/67/23/19/472672319.db2.gz VCFJHNPKTCTCFZ-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000060832932 472679925 /nfs/dbraw/zinc/67/99/25/472679925.db2.gz VDZIYZKFONWYSR-UHFFFAOYSA-N 1 2 342.399 2.695 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000060832803 472680304 /nfs/dbraw/zinc/68/03/04/472680304.db2.gz KGQCOUSWHURLSP-UHFFFAOYSA-N 1 2 328.372 2.766 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120447774 472690970 /nfs/dbraw/zinc/69/09/70/472690970.db2.gz GFOGVLWLDPOBCH-CHWSQXEVSA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000120447774 472690973 /nfs/dbraw/zinc/69/09/73/472690973.db2.gz GFOGVLWLDPOBCH-CHWSQXEVSA-N 1 2 347.415 2.683 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000072662803 472697479 /nfs/dbraw/zinc/69/74/79/472697479.db2.gz DXWGEWBLSLRQRO-UHFFFAOYSA-N 1 2 334.401 2.823 20 5 EFBDLO CC[C@@H](CSC)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091149861 472714510 /nfs/dbraw/zinc/71/45/10/472714510.db2.gz PRFXBUAJZVDKHO-ZDUSSCGKSA-N 1 2 348.428 2.994 20 5 EFBDLO CCc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000047745044 472763522 /nfs/dbraw/zinc/76/35/22/472763522.db2.gz HIFJURVIGQNYGZ-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000047851616 472771825 /nfs/dbraw/zinc/77/18/25/472771825.db2.gz IFIZDCYXXSVYIG-SFHVURJKSA-N 1 2 339.395 2.576 20 5 EFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000047851616 472771832 /nfs/dbraw/zinc/77/18/32/472771832.db2.gz IFIZDCYXXSVYIG-SFHVURJKSA-N 1 2 339.395 2.576 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3nc(C)cs3)CC2)cc1[N+](=O)[O-] ZINC000047888954 472776295 /nfs/dbraw/zinc/77/62/95/472776295.db2.gz LFCMCJBAYRYVST-UHFFFAOYSA-N 1 2 348.428 2.691 20 5 EFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000073171636 472781271 /nfs/dbraw/zinc/78/12/71/472781271.db2.gz AWYKEXFMVPUXFP-UHFFFAOYSA-N 1 2 342.380 2.831 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121187906 472813511 /nfs/dbraw/zinc/81/35/11/472813511.db2.gz GIFKTAXQNCAAJO-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)c[nH+]2)CCO1 ZINC000064029569 472831759 /nfs/dbraw/zinc/83/17/59/472831759.db2.gz UAEMVRFMWSWLLD-LLVKDONJSA-N 1 2 334.401 2.889 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000079255796 472837269 /nfs/dbraw/zinc/83/72/69/472837269.db2.gz DKSRGSVBTLRVQF-UHFFFAOYSA-N 1 2 330.344 2.503 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000079255964 472837500 /nfs/dbraw/zinc/83/75/00/472837500.db2.gz WHEQMUYOQYGVDL-UHFFFAOYSA-N 1 2 346.412 2.972 20 5 EFBDLO COC(=O)c1cc(C(=O)Nc2ccc(C)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000121567564 472873426 /nfs/dbraw/zinc/87/34/26/472873426.db2.gz KNVRCHISSFNXQF-UHFFFAOYSA-N 1 2 329.312 2.646 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000073934702 472903832 /nfs/dbraw/zinc/90/38/32/472903832.db2.gz CDKOEFWUCLDCIY-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO CC(C)c1nc(N(C)C)nc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000158190309 472904835 /nfs/dbraw/zinc/90/48/35/472904835.db2.gz DFFBGNRXQHJGBN-UHFFFAOYSA-N 1 2 330.392 2.624 20 5 EFBDLO CC(C)c1nc(NCCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000158190309 472904838 /nfs/dbraw/zinc/90/48/38/472904838.db2.gz DFFBGNRXQHJGBN-UHFFFAOYSA-N 1 2 330.392 2.624 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134638384 472944408 /nfs/dbraw/zinc/94/44/08/472944408.db2.gz PFDNCAWHHHTFRG-CQSZACIVSA-N 1 2 342.399 2.789 20 5 EFBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730253 472974054 /nfs/dbraw/zinc/97/40/54/472974054.db2.gz MBDPUCXDLQSCEG-UONOGXRCSA-N 1 2 349.431 2.817 20 5 EFBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730253 472974061 /nfs/dbraw/zinc/97/40/61/472974061.db2.gz MBDPUCXDLQSCEG-UONOGXRCSA-N 1 2 349.431 2.817 20 5 EFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050490927 472997153 /nfs/dbraw/zinc/99/71/53/472997153.db2.gz XNRQQAFZPNKBQQ-UHFFFAOYSA-N 1 2 339.311 2.617 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092977670 473017060 /nfs/dbraw/zinc/01/70/60/473017060.db2.gz UPRLRECEAOKJKN-IAQYHMDHSA-N 1 2 328.372 2.567 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051129027 473026014 /nfs/dbraw/zinc/02/60/14/473026014.db2.gz LZMTTZQNCAZNLY-UHFFFAOYSA-N 1 2 327.384 2.926 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000051154057 473028642 /nfs/dbraw/zinc/02/86/42/473028642.db2.gz RVKOFAOWUBNUAF-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218474 473038260 /nfs/dbraw/zinc/03/82/60/473038260.db2.gz ZBPDIAATAZGHBH-CQSZACIVSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218474 473038266 /nfs/dbraw/zinc/03/82/66/473038266.db2.gz ZBPDIAATAZGHBH-CQSZACIVSA-N 1 2 331.416 2.960 20 5 EFBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1cccs1 ZINC000135224910 473038668 /nfs/dbraw/zinc/03/86/68/473038668.db2.gz YIZYRIZRRLGOGI-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1cccs1 ZINC000135224910 473038670 /nfs/dbraw/zinc/03/86/70/473038670.db2.gz YIZYRIZRRLGOGI-UHFFFAOYSA-N 1 2 345.424 2.937 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237174 473040563 /nfs/dbraw/zinc/04/05/63/473040563.db2.gz SEOCWRMIRUSPAW-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237174 473040565 /nfs/dbraw/zinc/04/05/65/473040565.db2.gz SEOCWRMIRUSPAW-UHFFFAOYSA-N 1 2 343.383 2.811 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000080542661 473045935 /nfs/dbraw/zinc/04/59/35/473045935.db2.gz JGHPALNWLNCZDT-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000066155530 473050995 /nfs/dbraw/zinc/05/09/95/473050995.db2.gz DXGAJTBEZZPLOF-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)o1 ZINC000074727534 473052331 /nfs/dbraw/zinc/05/23/31/473052331.db2.gz GFPSZMYCEHEAAU-HNNXBMFYSA-N 1 2 346.387 2.685 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000051870018 473070998 /nfs/dbraw/zinc/07/09/98/473070998.db2.gz AXEGMPNSKSCDNB-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cn21 ZINC000109353740 473095299 /nfs/dbraw/zinc/09/52/99/473095299.db2.gz OBEYOPWXIMJCFA-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093384712 473099042 /nfs/dbraw/zinc/09/90/42/473099042.db2.gz NGJXMLDTACCPON-LBPRGKRZSA-N 1 2 328.434 2.583 20 5 EFBDLO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093384712 473099034 /nfs/dbraw/zinc/09/90/34/473099034.db2.gz NGJXMLDTACCPON-LBPRGKRZSA-N 1 2 328.434 2.583 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000093534847 473116425 /nfs/dbraw/zinc/11/64/25/473116425.db2.gz ZMRMBSYUXFTNEO-LLVKDONJSA-N 1 2 334.326 2.954 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000093534847 473116429 /nfs/dbraw/zinc/11/64/29/473116429.db2.gz ZMRMBSYUXFTNEO-LLVKDONJSA-N 1 2 334.326 2.954 20 5 EFBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109782587 473120867 /nfs/dbraw/zinc/12/08/67/473120867.db2.gz XGHOSGPYJLQNCO-LBPRGKRZSA-N 1 2 329.356 2.932 20 5 EFBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109782587 473120874 /nfs/dbraw/zinc/12/08/74/473120874.db2.gz XGHOSGPYJLQNCO-LBPRGKRZSA-N 1 2 329.356 2.932 20 5 EFBDLO Cc1cc(N(C)CCn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000110598912 473164480 /nfs/dbraw/zinc/16/44/80/473164480.db2.gz JNBDQWFJMSSISL-UHFFFAOYSA-N 1 2 338.371 2.693 20 5 EFBDLO Cc1c(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000123810951 473187696 /nfs/dbraw/zinc/18/76/96/473187696.db2.gz VQPMZDWUMBVLQF-CQSZACIVSA-N 1 2 327.384 2.952 20 5 EFBDLO Cc1c(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000123810951 473187700 /nfs/dbraw/zinc/18/77/00/473187700.db2.gz VQPMZDWUMBVLQF-CQSZACIVSA-N 1 2 327.384 2.952 20 5 EFBDLO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000177724673 473423704 /nfs/dbraw/zinc/42/37/04/473423704.db2.gz XMZUVDBAOKSTKJ-IUODEOHRSA-N 1 2 329.360 2.906 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177809956 473440378 /nfs/dbraw/zinc/44/03/78/473440378.db2.gz GAWRBJJZVXDJDR-GFCCVEGCSA-N 1 2 334.763 2.750 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000190976461 473446339 /nfs/dbraw/zinc/44/63/39/473446339.db2.gz HROBGEFVWKIUCN-OAHLLOKOSA-N 1 2 335.385 2.619 20 5 EFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000114462112 473470353 /nfs/dbraw/zinc/47/03/53/473470353.db2.gz WATNCGWDBPZJOS-HNNXBMFYSA-N 1 2 348.374 2.743 20 5 EFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000114462112 473470358 /nfs/dbraw/zinc/47/03/58/473470358.db2.gz WATNCGWDBPZJOS-HNNXBMFYSA-N 1 2 348.374 2.743 20 5 EFBDLO Cc1c(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000114492009 473476784 /nfs/dbraw/zinc/47/67/84/473476784.db2.gz HRIMKMHURBSOJF-UHFFFAOYSA-N 1 2 349.328 2.921 20 5 EFBDLO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000172018911 473503951 /nfs/dbraw/zinc/50/39/51/473503951.db2.gz JNXCGJGGKWJDJH-CYBMUJFWSA-N 1 2 346.836 2.647 20 5 EFBDLO CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000172018911 473503957 /nfs/dbraw/zinc/50/39/57/473503957.db2.gz JNXCGJGGKWJDJH-CYBMUJFWSA-N 1 2 346.836 2.647 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000165166644 473507746 /nfs/dbraw/zinc/50/77/46/473507746.db2.gz NUNHPLHITVKFHU-GFCCVEGCSA-N 1 2 348.428 2.969 20 5 EFBDLO COCCN(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191232658 473513178 /nfs/dbraw/zinc/51/31/78/473513178.db2.gz ZCFLLUJXSULIJD-UHFFFAOYSA-N 1 2 344.415 2.704 20 5 EFBDLO COCCN(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191232658 473513183 /nfs/dbraw/zinc/51/31/83/473513183.db2.gz ZCFLLUJXSULIJD-UHFFFAOYSA-N 1 2 344.415 2.704 20 5 EFBDLO C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126496096 473521525 /nfs/dbraw/zinc/52/15/25/473521525.db2.gz OZUIATVTNQGROG-MFTLYIETSA-N 1 2 340.383 2.914 20 5 EFBDLO CC(C)(C)NC(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172113155 473526189 /nfs/dbraw/zinc/52/61/89/473526189.db2.gz ASIPEBFEAKXHMX-UHFFFAOYSA-N 1 2 348.428 2.723 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000178724268 473548223 /nfs/dbraw/zinc/54/82/23/473548223.db2.gz KJMHZGZLNCIFAM-NSHDSACASA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000178724268 473548231 /nfs/dbraw/zinc/54/82/31/473548231.db2.gz KJMHZGZLNCIFAM-NSHDSACASA-N 1 2 347.371 2.964 20 5 EFBDLO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000127321883 473599738 /nfs/dbraw/zinc/59/97/38/473599738.db2.gz KYDMYABRHFQLCQ-UHFFFAOYSA-N 1 2 331.397 2.597 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000127321883 473599743 /nfs/dbraw/zinc/59/97/43/473599743.db2.gz KYDMYABRHFQLCQ-UHFFFAOYSA-N 1 2 331.397 2.597 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127713477 473642502 /nfs/dbraw/zinc/64/25/02/473642502.db2.gz YHNDFYOAVNXWFU-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127713477 473642508 /nfs/dbraw/zinc/64/25/08/473642508.db2.gz YHNDFYOAVNXWFU-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000116271211 473644313 /nfs/dbraw/zinc/64/43/13/473644313.db2.gz UAADDKOBGMUZTQ-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330968 473651347 /nfs/dbraw/zinc/65/13/47/473651347.db2.gz FMCMLHVPYFDGBT-HNNXBMFYSA-N 1 2 338.404 2.682 20 5 EFBDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330968 473651352 /nfs/dbraw/zinc/65/13/52/473651352.db2.gz FMCMLHVPYFDGBT-HNNXBMFYSA-N 1 2 338.404 2.682 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000127940510 473666077 /nfs/dbraw/zinc/66/60/77/473666077.db2.gz MTTZUNDICYLAIA-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000127940510 473666081 /nfs/dbraw/zinc/66/60/81/473666081.db2.gz MTTZUNDICYLAIA-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000127940272 473666569 /nfs/dbraw/zinc/66/65/69/473666569.db2.gz MTTZUNDICYLAIA-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000127940272 473666572 /nfs/dbraw/zinc/66/65/72/473666572.db2.gz MTTZUNDICYLAIA-LBPRGKRZSA-N 1 2 344.371 2.630 20 5 EFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000179510332 473692319 /nfs/dbraw/zinc/69/23/19/473692319.db2.gz SCJDHWJLTWOINQ-UHFFFAOYSA-N 1 2 342.359 2.754 20 5 EFBDLO COc1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000192755517 473720590 /nfs/dbraw/zinc/72/05/90/473720590.db2.gz WXZUPACAFYPXOH-GXTWGEPZSA-N 1 2 344.371 2.523 20 5 EFBDLO Cc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000192768872 473721108 /nfs/dbraw/zinc/72/11/08/473721108.db2.gz NHMUVUJLTFJWCW-INIZCTEOSA-N 1 2 346.387 2.564 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179801382 473728567 /nfs/dbraw/zinc/72/85/67/473728567.db2.gz PQJQBTBNLHOPBL-INIZCTEOSA-N 1 2 332.356 2.702 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179801382 473728574 /nfs/dbraw/zinc/72/85/74/473728574.db2.gz PQJQBTBNLHOPBL-INIZCTEOSA-N 1 2 332.356 2.702 20 5 EFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000274193802 473757037 /nfs/dbraw/zinc/75/70/37/473757037.db2.gz GIVKBNJXKWHVIU-NSHDSACASA-N 1 2 334.401 2.503 20 5 EFBDLO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269331221 473777132 /nfs/dbraw/zinc/77/71/32/473777132.db2.gz IEVOIOHVGIZBTG-BXUZGUMPSA-N 1 2 348.428 2.885 20 5 EFBDLO CCc1nn(C)c(Nc2ccc([NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000288011258 473823717 /nfs/dbraw/zinc/82/37/17/473823717.db2.gz BLVAHJZMHGXGSG-UHFFFAOYSA-N 1 2 345.403 2.595 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000194012391 473827295 /nfs/dbraw/zinc/82/72/95/473827295.db2.gz TVMZVSHXXDZYQI-UHFFFAOYSA-N 1 2 348.384 2.887 20 5 EFBDLO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000194174917 473855708 /nfs/dbraw/zinc/85/57/08/473855708.db2.gz XRZJSMYWVITNJL-UHFFFAOYSA-N 1 2 331.416 2.960 20 5 EFBDLO C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000194174917 473855713 /nfs/dbraw/zinc/85/57/13/473855713.db2.gz XRZJSMYWVITNJL-UHFFFAOYSA-N 1 2 331.416 2.960 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000269677546 473857305 /nfs/dbraw/zinc/85/73/05/473857305.db2.gz WWYABSBVJLLTBL-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000269677546 473857311 /nfs/dbraw/zinc/85/73/11/473857311.db2.gz WWYABSBVJLLTBL-ZWKOTPCHSA-N 1 2 328.368 2.702 20 5 EFBDLO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000180429887 473875531 /nfs/dbraw/zinc/87/55/31/473875531.db2.gz GCAZCGCTYQCZAC-LLVKDONJSA-N 1 2 348.428 2.533 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263954585 473918671 /nfs/dbraw/zinc/91/86/71/473918671.db2.gz RKNJKTHXPOXAFK-JTQLQIEISA-N 1 2 334.763 2.991 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000282338714 474028086 /nfs/dbraw/zinc/02/80/86/474028086.db2.gz LZEFANRTIQONFL-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000282338714 474028089 /nfs/dbraw/zinc/02/80/89/474028089.db2.gz LZEFANRTIQONFL-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO CSc1cccc(C(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188235864 474029152 /nfs/dbraw/zinc/02/91/52/474029152.db2.gz ICFCFFJUGZPVKN-UHFFFAOYSA-N 1 2 334.401 2.676 20 5 EFBDLO COc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000264734227 474108368 /nfs/dbraw/zinc/10/83/68/474108368.db2.gz XROUQZKCNSNUPN-UHFFFAOYSA-N 1 2 343.387 2.996 20 5 EFBDLO COc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000264734227 474108373 /nfs/dbraw/zinc/10/83/73/474108373.db2.gz XROUQZKCNSNUPN-UHFFFAOYSA-N 1 2 343.387 2.996 20 5 EFBDLO O=C(C[N@@H+]1CCCc2occc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000288982128 474110910 /nfs/dbraw/zinc/11/09/10/474110910.db2.gz ZIMQREZFSWZRHR-UHFFFAOYSA-N 1 2 341.367 2.525 20 5 EFBDLO O=C(C[N@H+]1CCCc2occc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000288982128 474110921 /nfs/dbraw/zinc/11/09/21/474110921.db2.gz ZIMQREZFSWZRHR-UHFFFAOYSA-N 1 2 341.367 2.525 20 5 EFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182167612 474114585 /nfs/dbraw/zinc/11/45/85/474114585.db2.gz SCIGMLKMIDOXIS-UHFFFAOYSA-N 1 2 334.397 2.501 20 5 EFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182167612 474114594 /nfs/dbraw/zinc/11/45/94/474114594.db2.gz SCIGMLKMIDOXIS-UHFFFAOYSA-N 1 2 334.397 2.501 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000198777438 474118344 /nfs/dbraw/zinc/11/83/44/474118344.db2.gz AKTGUPUOZFNBRO-UHFFFAOYSA-N 1 2 349.774 2.799 20 5 EFBDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000198781914 474119066 /nfs/dbraw/zinc/11/90/66/474119066.db2.gz NFYISWKMBCFZJI-UHFFFAOYSA-N 1 2 329.356 2.713 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCS(=O)(=O)CC1 ZINC000270440829 474119413 /nfs/dbraw/zinc/11/94/13/474119413.db2.gz JSVQJEBZBFGEKN-UHFFFAOYSA-N 1 2 346.836 2.505 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCS(=O)(=O)CC1 ZINC000270440829 474119416 /nfs/dbraw/zinc/11/94/16/474119416.db2.gz JSVQJEBZBFGEKN-UHFFFAOYSA-N 1 2 346.836 2.505 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000198878169 474120337 /nfs/dbraw/zinc/12/03/37/474120337.db2.gz WGCGXCLBNKHCHB-CQSZACIVSA-N 1 2 344.302 2.580 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275470261 474197469 /nfs/dbraw/zinc/19/74/69/474197469.db2.gz NXALNKKCXRHVCD-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCC4)o2)cc1 ZINC000270674119 474215363 /nfs/dbraw/zinc/21/53/63/474215363.db2.gz SQYKMLODENWVTI-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOCC34CCCC4)o2)cc1 ZINC000270674119 474215369 /nfs/dbraw/zinc/21/53/69/474215369.db2.gz SQYKMLODENWVTI-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO COCCCn1nccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000282897401 474234051 /nfs/dbraw/zinc/23/40/51/474234051.db2.gz YLBIGPUIFOENHG-UHFFFAOYSA-N 1 2 344.415 2.992 20 5 EFBDLO COCCCn1nccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000282897401 474234056 /nfs/dbraw/zinc/23/40/56/474234056.db2.gz YLBIGPUIFOENHG-UHFFFAOYSA-N 1 2 344.415 2.992 20 5 EFBDLO CSc1cccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188942776 474241781 /nfs/dbraw/zinc/24/17/81/474241781.db2.gz IBUAGXIMFIIKHS-LLVKDONJSA-N 1 2 334.401 2.579 20 5 EFBDLO CSc1cccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188942756 474241795 /nfs/dbraw/zinc/24/17/95/474241795.db2.gz IBUAGXIMFIIKHS-NSHDSACASA-N 1 2 334.401 2.579 20 5 EFBDLO COCCc1noc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000182845035 474270174 /nfs/dbraw/zinc/27/01/74/474270174.db2.gz ZRWDGJWNIMBXII-GFCCVEGCSA-N 1 2 334.376 2.668 20 5 EFBDLO COCCc1noc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000182845035 474270179 /nfs/dbraw/zinc/27/01/79/474270179.db2.gz ZRWDGJWNIMBXII-GFCCVEGCSA-N 1 2 334.376 2.668 20 5 EFBDLO Cc1cc(N(CCO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275795606 474322714 /nfs/dbraw/zinc/32/27/14/474322714.db2.gz CPGJXQHWAWWBJT-UHFFFAOYSA-N 1 2 328.372 2.711 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1O ZINC000276106034 474419178 /nfs/dbraw/zinc/41/91/78/474419178.db2.gz ZMPFKBCBVVMKFS-CYBMUJFWSA-N 1 2 330.331 2.789 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1O ZINC000276106034 474419185 /nfs/dbraw/zinc/41/91/85/474419185.db2.gz ZMPFKBCBVVMKFS-CYBMUJFWSA-N 1 2 330.331 2.789 20 5 EFBDLO Cc1cccn2cc(CC(=O)Nc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000608870804 480101809 /nfs/dbraw/zinc/10/18/09/480101809.db2.gz LDKZRSKUGGEDLT-UHFFFAOYSA-N 1 2 328.303 2.871 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000266704742 474454727 /nfs/dbraw/zinc/45/47/27/474454727.db2.gz YPOFITGEIDZERA-AWEZNQCLSA-N 1 2 340.383 2.509 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@@H]1CCCO1 ZINC000289877209 474465567 /nfs/dbraw/zinc/46/55/67/474465567.db2.gz RQFOOIPKOJDAIF-RDJZCZTQSA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@@H]1CCCO1 ZINC000289877209 474465571 /nfs/dbraw/zinc/46/55/71/474465571.db2.gz RQFOOIPKOJDAIF-RDJZCZTQSA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@H]1CCCO1 ZINC000289877216 474465750 /nfs/dbraw/zinc/46/57/50/474465750.db2.gz RQFOOIPKOJDAIF-WBVHZDCISA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@H]1CCCO1 ZINC000289877216 474465755 /nfs/dbraw/zinc/46/57/55/474465755.db2.gz RQFOOIPKOJDAIF-WBVHZDCISA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@H]1CCCO1 ZINC000289877205 474466530 /nfs/dbraw/zinc/46/65/30/474466530.db2.gz RQFOOIPKOJDAIF-NVXWUHKLSA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@H]1CCCO1 ZINC000289877205 474466538 /nfs/dbraw/zinc/46/65/38/474466538.db2.gz RQFOOIPKOJDAIF-NVXWUHKLSA-N 1 2 348.399 2.851 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881896 474469799 /nfs/dbraw/zinc/46/97/99/474469799.db2.gz RJNRLGJUPCMOAZ-SNVBAGLBSA-N 1 2 328.315 2.938 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881896 474469790 /nfs/dbraw/zinc/46/97/90/474469790.db2.gz RJNRLGJUPCMOAZ-SNVBAGLBSA-N 1 2 328.315 2.938 20 5 EFBDLO COc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000184291380 474495744 /nfs/dbraw/zinc/49/57/44/474495744.db2.gz XIYNNVQXUIVJTG-UHFFFAOYSA-N 1 2 347.337 2.515 20 5 EFBDLO COc1cc(C[N@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000184291380 474495749 /nfs/dbraw/zinc/49/57/49/474495749.db2.gz XIYNNVQXUIVJTG-UHFFFAOYSA-N 1 2 347.337 2.515 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000276382257 474518946 /nfs/dbraw/zinc/51/89/46/474518946.db2.gz GVVHISQMJYBYEN-UHFFFAOYSA-N 1 2 329.360 2.840 20 5 EFBDLO COc1ccc(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000609016970 480109987 /nfs/dbraw/zinc/10/99/87/480109987.db2.gz NUJHZZUPABZLAY-ZDUSSCGKSA-N 1 2 344.371 2.623 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000283950107 474534710 /nfs/dbraw/zinc/53/47/10/474534710.db2.gz ALTFGINBGSODLZ-SNVBAGLBSA-N 1 2 341.205 2.894 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC000283950107 474534714 /nfs/dbraw/zinc/53/47/14/474534714.db2.gz ALTFGINBGSODLZ-SNVBAGLBSA-N 1 2 341.205 2.894 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290040576 474536828 /nfs/dbraw/zinc/53/68/28/474536828.db2.gz WKDVBMOUOVTUSP-CQSZACIVSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290040576 474536835 /nfs/dbraw/zinc/53/68/35/474536835.db2.gz WKDVBMOUOVTUSP-CQSZACIVSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609075129 480111330 /nfs/dbraw/zinc/11/13/30/480111330.db2.gz JDVMMUOQLKVACM-UHFFFAOYSA-N 1 2 333.413 2.987 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000267015065 474566630 /nfs/dbraw/zinc/56/66/30/474566630.db2.gz IQGHJZKDXKHUPA-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000267015065 474566637 /nfs/dbraw/zinc/56/66/37/474566637.db2.gz IQGHJZKDXKHUPA-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO Cc1csc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000267024773 474569129 /nfs/dbraw/zinc/56/91/29/474569129.db2.gz KZJXQNMQMOCQHM-UHFFFAOYSA-N 1 2 336.392 2.821 20 5 EFBDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184636668 474570553 /nfs/dbraw/zinc/57/05/53/474570553.db2.gz LLIILUCNUPBREQ-ZDUSSCGKSA-N 1 2 332.429 2.930 20 5 EFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184736645 474597135 /nfs/dbraw/zinc/59/71/35/474597135.db2.gz IGZIRYUHCHPRSE-IUODEOHRSA-N 1 2 347.371 2.801 20 5 EFBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cn1cc[nH+]c1 ZINC000267163870 474605911 /nfs/dbraw/zinc/60/59/11/474605911.db2.gz SVXBZFRCANAMHT-LLVKDONJSA-N 1 2 328.328 2.604 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131204 480114989 /nfs/dbraw/zinc/11/49/89/480114989.db2.gz KBPKSXNVXUFFCZ-CYBMUJFWSA-N 1 2 339.355 2.750 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000184821720 474614835 /nfs/dbraw/zinc/61/48/35/474614835.db2.gz YIGNLWKREPXLRK-HOCLYGCPSA-N 1 2 344.415 2.813 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000278457929 474649820 /nfs/dbraw/zinc/64/98/20/474649820.db2.gz AFWWOPOJCANVOE-UHFFFAOYSA-N 1 2 344.371 2.728 20 5 EFBDLO CCc1cc(N[C@@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340790444 474670788 /nfs/dbraw/zinc/67/07/88/474670788.db2.gz XRVVQIHQQBLNAU-RYUDHWBXSA-N 1 2 330.388 2.607 20 5 EFBDLO Cc1cc(N[C@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273010385 474670727 /nfs/dbraw/zinc/67/07/27/474670727.db2.gz AVLUQKLLGRJHTD-BGJPBQGDSA-N 1 2 334.401 2.539 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000284782570 474770081 /nfs/dbraw/zinc/77/00/81/474770081.db2.gz YHDXUFJEKQNNKC-BMFZPTHFSA-N 1 2 340.807 2.610 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000284782570 474770084 /nfs/dbraw/zinc/77/00/84/474770084.db2.gz YHDXUFJEKQNNKC-BMFZPTHFSA-N 1 2 340.807 2.610 20 5 EFBDLO CCc1cc(N[C@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273203710 474775466 /nfs/dbraw/zinc/77/54/66/474775466.db2.gz SRZLVEZYVWOCJT-JNDILOIQSA-N 1 2 348.428 2.793 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000254965003 474780152 /nfs/dbraw/zinc/78/01/52/474780152.db2.gz FOYZSTXPFYCOGK-WAYWQWQTSA-N 1 2 326.356 2.668 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1Br ZINC000293069232 474795508 /nfs/dbraw/zinc/79/55/08/474795508.db2.gz IWXOZRLFPMQGTM-LLVKDONJSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1Br ZINC000293069232 474795514 /nfs/dbraw/zinc/79/55/14/474795514.db2.gz IWXOZRLFPMQGTM-LLVKDONJSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000293073805 474798589 /nfs/dbraw/zinc/79/85/89/474798589.db2.gz ZUQZVWUWRRKCER-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293163854 474847322 /nfs/dbraw/zinc/84/73/22/474847322.db2.gz COKBSBROJVBACR-ZIAGYGMSSA-N 1 2 340.445 2.721 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293163854 474847326 /nfs/dbraw/zinc/84/73/26/474847326.db2.gz COKBSBROJVBACR-ZIAGYGMSSA-N 1 2 340.445 2.721 20 5 EFBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(C)c1 ZINC000273385892 474874103 /nfs/dbraw/zinc/87/41/03/474874103.db2.gz NTDDNRSXJWZMSK-MNOVXSKESA-N 1 2 342.359 2.790 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292169415 474884450 /nfs/dbraw/zinc/88/44/50/474884450.db2.gz PLOCQYXRBUORAF-ZDUSSCGKSA-N 1 2 340.445 2.721 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339064263 474893456 /nfs/dbraw/zinc/89/34/56/474893456.db2.gz BOOBHSCPDCASTB-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339064263 474893467 /nfs/dbraw/zinc/89/34/67/474893467.db2.gz BOOBHSCPDCASTB-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255794023 474904889 /nfs/dbraw/zinc/90/48/89/474904889.db2.gz PJOIYHLPTLCKJP-YVMONPNESA-N 1 2 328.372 2.777 20 5 EFBDLO CCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339084139 474912996 /nfs/dbraw/zinc/91/29/96/474912996.db2.gz QUFJBOYOKAURIQ-AWEZNQCLSA-N 1 2 341.371 2.974 20 5 EFBDLO CC(=O)Nc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285207108 474928488 /nfs/dbraw/zinc/92/84/88/474928488.db2.gz DJKACTLNQMLGEL-UHFFFAOYSA-N 1 2 334.401 2.684 20 5 EFBDLO CC(=O)Nc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285207108 474928496 /nfs/dbraw/zinc/92/84/96/474928496.db2.gz DJKACTLNQMLGEL-UHFFFAOYSA-N 1 2 334.401 2.684 20 5 EFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292380565 474994630 /nfs/dbraw/zinc/99/46/30/474994630.db2.gz JOLORKCPDKVYRW-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292380565 474994640 /nfs/dbraw/zinc/99/46/40/474994640.db2.gz JOLORKCPDKVYRW-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000339189436 475022022 /nfs/dbraw/zinc/02/20/22/475022022.db2.gz PPNHUSCVRAEFAA-FUHWJXTLSA-N 1 2 342.395 2.898 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000339189436 475022030 /nfs/dbraw/zinc/02/20/30/475022030.db2.gz PPNHUSCVRAEFAA-FUHWJXTLSA-N 1 2 342.395 2.898 20 5 EFBDLO COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1[N+](=O)[O-] ZINC000268509485 475022251 /nfs/dbraw/zinc/02/22/51/475022251.db2.gz WDXBBICEYKTQTP-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1[N+](=O)[O-] ZINC000268509485 475022260 /nfs/dbraw/zinc/02/22/60/475022260.db2.gz WDXBBICEYKTQTP-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339262671 475094673 /nfs/dbraw/zinc/09/46/73/475094673.db2.gz IMNGTOXGYAIKRF-OAHLLOKOSA-N 1 2 339.823 2.985 20 5 EFBDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339262671 475094682 /nfs/dbraw/zinc/09/46/82/475094682.db2.gz IMNGTOXGYAIKRF-OAHLLOKOSA-N 1 2 339.823 2.985 20 5 EFBDLO CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339263379 475096230 /nfs/dbraw/zinc/09/62/30/475096230.db2.gz GZYNQBGOJWEGKJ-IAOVAPTHSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC000339263379 475096244 /nfs/dbraw/zinc/09/62/44/475096244.db2.gz GZYNQBGOJWEGKJ-IAOVAPTHSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339263384 475096368 /nfs/dbraw/zinc/09/63/68/475096368.db2.gz GZYNQBGOJWEGKJ-KBRIMQKVSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC000339263384 475096376 /nfs/dbraw/zinc/09/63/76/475096376.db2.gz GZYNQBGOJWEGKJ-KBRIMQKVSA-N 1 2 349.431 2.661 20 5 EFBDLO O=C(Nc1cncc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341534053 475122565 /nfs/dbraw/zinc/12/25/65/475122565.db2.gz MHQCJMVZCRHNOD-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295970146 475147910 /nfs/dbraw/zinc/14/79/10/475147910.db2.gz SIMDMZFESSMFIA-AWEZNQCLSA-N 1 2 344.371 2.560 20 5 EFBDLO COc1ccc(CNC(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000287444690 475149416 /nfs/dbraw/zinc/14/94/16/475149416.db2.gz HNRPDXUMZQHNES-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000296006539 475163111 /nfs/dbraw/zinc/16/31/11/475163111.db2.gz MCYUNWSVTBLXKZ-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296101824 475196192 /nfs/dbraw/zinc/19/61/92/475196192.db2.gz DNFVBGAOHTWGHC-SNVBAGLBSA-N 1 2 329.809 2.624 20 5 EFBDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296101824 475196199 /nfs/dbraw/zinc/19/61/99/475196199.db2.gz DNFVBGAOHTWGHC-SNVBAGLBSA-N 1 2 329.809 2.624 20 5 EFBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000341698087 475230167 /nfs/dbraw/zinc/23/01/67/475230167.db2.gz VZCZRZKLFGUYSK-ZDUSSCGKSA-N 1 2 334.401 2.537 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2NCCCNc2cccc[nH+]2)s1 ZINC000341696808 475231172 /nfs/dbraw/zinc/23/11/72/475231172.db2.gz FRYABQLWVHZJCC-UHFFFAOYSA-N 1 2 330.373 2.909 20 5 EFBDLO CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341714908 475244587 /nfs/dbraw/zinc/24/45/87/475244587.db2.gz SBRFWACAJOIYLK-OAHLLOKOSA-N 1 2 344.371 2.608 20 5 EFBDLO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341714907 475245104 /nfs/dbraw/zinc/24/51/04/475245104.db2.gz SBRFWACAJOIYLK-HNNXBMFYSA-N 1 2 344.371 2.608 20 5 EFBDLO CCc1nn(C)c(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000354568258 475261444 /nfs/dbraw/zinc/26/14/44/475261444.db2.gz XUANLKLKZOHFHR-UHFFFAOYSA-N 1 2 344.419 2.888 20 5 EFBDLO CN(C)c1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC000341744475 475268078 /nfs/dbraw/zinc/26/80/78/475268078.db2.gz UHOIQHFSFFMBIX-UHFFFAOYSA-N 1 2 330.373 2.673 20 5 EFBDLO Cc1c(Br)c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000347429481 475312037 /nfs/dbraw/zinc/31/20/37/475312037.db2.gz ZRZOGGISHVLBJK-DTWKUNHWSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1c(Br)c(N2C[C@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000347429481 475312043 /nfs/dbraw/zinc/31/20/43/475312043.db2.gz ZRZOGGISHVLBJK-DTWKUNHWSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000331874014 475442790 /nfs/dbraw/zinc/44/27/90/475442790.db2.gz HNDFQSTZWLZNMZ-MRXNPFEDSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1noc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CCOCC2)n1 ZINC000345793214 475456206 /nfs/dbraw/zinc/45/62/06/475456206.db2.gz PVQIBGBSEZGVMV-INIZCTEOSA-N 1 2 346.387 2.852 20 5 EFBDLO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296826755 475493639 /nfs/dbraw/zinc/49/36/39/475493639.db2.gz SAVCICBMFLILKJ-HNNXBMFYSA-N 1 2 341.795 2.545 20 5 EFBDLO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296826755 475493649 /nfs/dbraw/zinc/49/36/49/475493649.db2.gz SAVCICBMFLILKJ-HNNXBMFYSA-N 1 2 341.795 2.545 20 5 EFBDLO Cc1cccc2[nH+]c(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cn21 ZINC000352677280 475521428 /nfs/dbraw/zinc/52/14/28/475521428.db2.gz KCJJHLYWUNMUKA-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000352692016 475534601 /nfs/dbraw/zinc/53/46/01/475534601.db2.gz NMBXHNAKJLMRFZ-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000352692016 475534605 /nfs/dbraw/zinc/53/46/05/475534605.db2.gz NMBXHNAKJLMRFZ-UHFFFAOYSA-N 1 2 331.347 2.726 20 5 EFBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnn(C)c1 ZINC000348310744 475581914 /nfs/dbraw/zinc/58/19/14/475581914.db2.gz RCSPQJBUZOMSDG-LLVKDONJSA-N 1 2 327.344 2.834 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782344 475620066 /nfs/dbraw/zinc/62/00/66/475620066.db2.gz CXQSCUSJDSGAGH-AWEZNQCLSA-N 1 2 325.328 2.508 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1c1ncc[nH]1 ZINC000348363851 475621083 /nfs/dbraw/zinc/62/10/83/475621083.db2.gz DRVWRLBUYOSQRN-OAHLLOKOSA-N 1 2 349.822 2.850 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1c1ncc[nH]1 ZINC000348363851 475621094 /nfs/dbraw/zinc/62/10/94/475621094.db2.gz DRVWRLBUYOSQRN-OAHLLOKOSA-N 1 2 349.822 2.850 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346520668 475630942 /nfs/dbraw/zinc/63/09/42/475630942.db2.gz NRPBXHXDPGAMAG-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346520668 475630949 /nfs/dbraw/zinc/63/09/49/475630949.db2.gz NRPBXHXDPGAMAG-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)cn21 ZINC000358402401 475651126 /nfs/dbraw/zinc/65/11/26/475651126.db2.gz ZUFVSNGOKMACEK-UHFFFAOYSA-N 1 2 342.330 2.549 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352896242 475663768 /nfs/dbraw/zinc/66/37/68/475663768.db2.gz ZTJXMWPYHUZUAB-OLZOCXBDSA-N 1 2 339.823 2.543 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000332605483 475684486 /nfs/dbraw/zinc/68/44/86/475684486.db2.gz DTDCLBREFPXKBD-LBPRGKRZSA-N 1 2 342.399 2.834 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000353110930 475690589 /nfs/dbraw/zinc/69/05/89/475690589.db2.gz XJYLDFQSQVBZNU-UHFFFAOYSA-N 1 2 346.390 2.503 20 5 EFBDLO Cc1nc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000297294096 475695120 /nfs/dbraw/zinc/69/51/20/475695120.db2.gz YCCWDCZVGMWYBZ-ZDUSSCGKSA-N 1 2 337.330 2.686 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cn2ccccc2[nH+]1 ZINC000340064690 475728604 /nfs/dbraw/zinc/72/86/04/475728604.db2.gz VIQUKONDZUTGML-UHFFFAOYSA-N 1 2 349.350 2.583 20 5 EFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000353165814 475737469 /nfs/dbraw/zinc/73/74/69/475737469.db2.gz BDNLPTNAXUAFBW-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000353165814 475737477 /nfs/dbraw/zinc/73/74/77/475737477.db2.gz BDNLPTNAXUAFBW-UHFFFAOYSA-N 1 2 349.431 2.828 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338285647 475747139 /nfs/dbraw/zinc/74/71/39/475747139.db2.gz UIBUCEYQCPSJIE-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338285647 475747145 /nfs/dbraw/zinc/74/71/45/475747145.db2.gz UIBUCEYQCPSJIE-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(F)cncc1F ZINC000353241410 475796807 /nfs/dbraw/zinc/79/68/07/475796807.db2.gz ZJWKNOQZGMLHKR-MRVPVSSYSA-N 1 2 333.298 2.995 20 5 EFBDLO COc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000353324344 475869919 /nfs/dbraw/zinc/86/99/19/475869919.db2.gz TZUXMANORJAVRP-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc[nH+]1 ZINC000340228289 475870018 /nfs/dbraw/zinc/87/00/18/475870018.db2.gz DECXTEUSARIIMK-UHFFFAOYSA-N 1 2 325.246 2.991 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2cccc(C)[nH+]2)n1 ZINC000343236384 475877164 /nfs/dbraw/zinc/87/71/64/475877164.db2.gz SYDFKLCWHAWMMT-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000353356146 475895986 /nfs/dbraw/zinc/89/59/86/475895986.db2.gz YLJYHXANPYYGHD-UHFFFAOYSA-N 1 2 325.328 2.607 20 5 EFBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297847945 475904686 /nfs/dbraw/zinc/90/46/86/475904686.db2.gz RVQIUCMDEPTBMI-UHFFFAOYSA-N 1 2 345.321 2.958 20 5 EFBDLO CCNc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000358764414 475917622 /nfs/dbraw/zinc/91/76/22/475917622.db2.gz CPTAEFREYIDGLC-UHFFFAOYSA-N 1 2 325.328 2.927 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353391566 475931128 /nfs/dbraw/zinc/93/11/28/475931128.db2.gz DAKSHWOQEXFKJL-CVEARBPZSA-N 1 2 330.388 2.576 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343374100 475998015 /nfs/dbraw/zinc/99/80/15/475998015.db2.gz PEMXORZCGFFMCP-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000346972946 476001171 /nfs/dbraw/zinc/00/11/71/476001171.db2.gz OASNYPHMGGESQB-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000346972946 476001178 /nfs/dbraw/zinc/00/11/78/476001178.db2.gz OASNYPHMGGESQB-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000355545796 476020831 /nfs/dbraw/zinc/02/08/31/476020831.db2.gz PGPWPTLGTIFLLL-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000355545796 476020838 /nfs/dbraw/zinc/02/08/38/476020838.db2.gz PGPWPTLGTIFLLL-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(F)F ZINC000298249455 476034772 /nfs/dbraw/zinc/03/47/72/476034772.db2.gz TXLZFHJOWIUKTK-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(F)F ZINC000298249455 476034777 /nfs/dbraw/zinc/03/47/77/476034777.db2.gz TXLZFHJOWIUKTK-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO C[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362189859 476059632 /nfs/dbraw/zinc/05/96/32/476059632.db2.gz PMCNZWMBNBQFFT-VIFPVBQESA-N 1 2 342.277 2.851 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000353595042 476109638 /nfs/dbraw/zinc/10/96/38/476109638.db2.gz HLCNSJXSPDOGKU-ZDUSSCGKSA-N 1 2 328.372 2.660 20 5 EFBDLO CCc1cc(NCC[C@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338719707 476132085 /nfs/dbraw/zinc/13/20/85/476132085.db2.gz IUOSQGXYQBRVTB-LBPRGKRZSA-N 1 2 330.388 2.873 20 5 EFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353676063 476180316 /nfs/dbraw/zinc/18/03/16/476180316.db2.gz LOEFTZDRWPOGIC-UHFFFAOYSA-N 1 2 339.355 2.949 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1CSc1[nH+]cnc2c1cnn2C ZINC000362341753 476183617 /nfs/dbraw/zinc/18/36/17/476183617.db2.gz XHAFJKNSXOFVQC-UHFFFAOYSA-N 1 2 331.357 2.572 20 5 EFBDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000350597901 476260724 /nfs/dbraw/zinc/26/07/24/476260724.db2.gz KYTRLVNUZYOPJR-UHFFFAOYSA-N 1 2 343.265 2.669 20 5 EFBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000353816348 476286580 /nfs/dbraw/zinc/28/65/80/476286580.db2.gz MCPFWXKHHPBNKX-XFFZJAGNSA-N 1 2 339.395 2.856 20 5 EFBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000353816348 476286586 /nfs/dbraw/zinc/28/65/86/476286586.db2.gz MCPFWXKHHPBNKX-XFFZJAGNSA-N 1 2 339.395 2.856 20 5 EFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000350757435 476297849 /nfs/dbraw/zinc/29/78/49/476297849.db2.gz BPCSAZCTTDAQMO-UHFFFAOYSA-N 1 2 338.327 2.933 20 5 EFBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000353874161 476307831 /nfs/dbraw/zinc/30/78/31/476307831.db2.gz JRKVYGHIZOEXDW-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000353874161 476307832 /nfs/dbraw/zinc/30/78/32/476307832.db2.gz JRKVYGHIZOEXDW-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)o1 ZINC000351145340 476347368 /nfs/dbraw/zinc/34/73/68/476347368.db2.gz JUCQTBZYZDTKNW-NSHDSACASA-N 1 2 334.332 2.554 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)o1 ZINC000351145340 476347375 /nfs/dbraw/zinc/34/73/75/476347375.db2.gz JUCQTBZYZDTKNW-NSHDSACASA-N 1 2 334.332 2.554 20 5 EFBDLO Cc1[nH+]cccc1Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000351238551 476375294 /nfs/dbraw/zinc/37/52/94/476375294.db2.gz SXJDNFWCGVNSDN-UHFFFAOYSA-N 1 2 328.332 2.786 20 5 EFBDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354031782 476379966 /nfs/dbraw/zinc/37/99/66/476379966.db2.gz OVHKKNLMEPTSMY-CYBMUJFWSA-N 1 2 340.445 2.737 20 5 EFBDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354031782 476379971 /nfs/dbraw/zinc/37/99/71/476379971.db2.gz OVHKKNLMEPTSMY-CYBMUJFWSA-N 1 2 340.445 2.737 20 5 EFBDLO COc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC000369301859 476405080 /nfs/dbraw/zinc/40/50/80/476405080.db2.gz GEPRONBQOXTNKS-UHFFFAOYSA-N 1 2 334.351 2.912 20 5 EFBDLO Cc1cc(NC[C@]2(C)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000354090549 476418826 /nfs/dbraw/zinc/41/88/26/476418826.db2.gz IWEGVAAEYPMMCS-KRWDZBQOSA-N 1 2 328.372 2.621 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000357611362 476488159 /nfs/dbraw/zinc/48/81/59/476488159.db2.gz GDJJNVYGPKLNLT-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000357611362 476488164 /nfs/dbraw/zinc/48/81/64/476488164.db2.gz GDJJNVYGPKLNLT-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361061129 476575171 /nfs/dbraw/zinc/57/51/71/476575171.db2.gz YTMGKIMHLHWOLA-OAHLLOKOSA-N 1 2 327.340 2.850 20 5 EFBDLO NC(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000361072075 476582720 /nfs/dbraw/zinc/58/27/20/476582720.db2.gz BTEHZQQMGNBYSK-UHFFFAOYSA-N 1 2 337.339 2.696 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1F ZINC000374917717 476595250 /nfs/dbraw/zinc/59/52/50/476595250.db2.gz RSCZPPPNMLQDLO-UHFFFAOYSA-N 1 2 348.353 2.980 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1F ZINC000374917717 476595258 /nfs/dbraw/zinc/59/52/58/476595258.db2.gz RSCZPPPNMLQDLO-UHFFFAOYSA-N 1 2 348.353 2.980 20 5 EFBDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000361146863 476634745 /nfs/dbraw/zinc/63/47/45/476634745.db2.gz LINNYGIMGQZBJE-CQSZACIVSA-N 1 2 346.387 2.501 20 5 EFBDLO Cc1ccc(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000370057800 476651559 /nfs/dbraw/zinc/65/15/59/476651559.db2.gz ZZUVFJMQJJXSQJ-UHFFFAOYSA-N 1 2 330.388 2.680 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000370069100 476656749 /nfs/dbraw/zinc/65/67/49/476656749.db2.gz DOVFHSQAELFVAN-UHFFFAOYSA-N 1 2 336.342 2.986 20 5 EFBDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352355073 476658075 /nfs/dbraw/zinc/65/80/75/476658075.db2.gz AYTKROZVCJILDQ-ZDUSSCGKSA-N 1 2 345.403 2.579 20 5 EFBDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352355073 476658082 /nfs/dbraw/zinc/65/80/82/476658082.db2.gz AYTKROZVCJILDQ-ZDUSSCGKSA-N 1 2 345.403 2.579 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370140978 476677780 /nfs/dbraw/zinc/67/77/80/476677780.db2.gz DNCCCRARMXWDPT-NSHDSACASA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000365718066 476679645 /nfs/dbraw/zinc/67/96/45/476679645.db2.gz OWACTSMQIZUZQX-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000365718066 476679648 /nfs/dbraw/zinc/67/96/48/476679648.db2.gz OWACTSMQIZUZQX-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)n1 ZINC000375284030 476756265 /nfs/dbraw/zinc/75/62/65/476756265.db2.gz ITAWLORVTMODRQ-HNNXBMFYSA-N 1 2 340.305 2.640 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)n1 ZINC000375284030 476756272 /nfs/dbraw/zinc/75/62/72/476756272.db2.gz ITAWLORVTMODRQ-HNNXBMFYSA-N 1 2 340.305 2.640 20 5 EFBDLO Cc1cc(C)c(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000456840311 476757515 /nfs/dbraw/zinc/75/75/15/476757515.db2.gz NYQFXTXVUXLDPY-UHFFFAOYSA-N 1 2 341.367 2.886 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000370355402 476770900 /nfs/dbraw/zinc/77/09/00/476770900.db2.gz NXAPUBLQDJVLCH-ZKKXHLJNSA-N 1 2 344.392 2.726 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000430199555 476778888 /nfs/dbraw/zinc/77/88/88/476778888.db2.gz CCFNMFXEWVATLT-TZMCWYRMSA-N 1 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ZINC000413954985 476807250 /nfs/dbraw/zinc/80/72/50/476807250.db2.gz MANLXWIKJWKMKP-ZDUSSCGKSA-N 1 2 329.356 2.534 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000413954985 476807252 /nfs/dbraw/zinc/80/72/52/476807252.db2.gz MANLXWIKJWKMKP-ZDUSSCGKSA-N 1 2 329.356 2.534 20 5 EFBDLO Cc1cc(C)c(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000396966439 476853131 /nfs/dbraw/zinc/85/31/31/476853131.db2.gz BYDCLMXUFMJXKS-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC000446734804 476913317 /nfs/dbraw/zinc/91/33/17/476913317.db2.gz HKGGVHMOZKUMHL-GLJUWKHASA-N 1 2 345.443 2.894 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC000446734804 476913321 /nfs/dbraw/zinc/91/33/21/476913321.db2.gz HKGGVHMOZKUMHL-GLJUWKHASA-N 1 2 345.443 2.894 20 5 EFBDLO COc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1C ZINC000452336822 476922084 /nfs/dbraw/zinc/92/20/84/476922084.db2.gz WVVRXWCUYIKBQH-UHFFFAOYSA-N 1 2 330.344 2.697 20 5 EFBDLO C[NH+](C)Cc1csc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000457298734 476962318 /nfs/dbraw/zinc/96/23/18/476962318.db2.gz VCDQKWJANXUMDW-UHFFFAOYSA-N 1 2 349.416 2.554 20 5 EFBDLO CCc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457319714 476972857 /nfs/dbraw/zinc/97/28/57/476972857.db2.gz YEDAPMKDEONGOR-UHFFFAOYSA-N 1 2 334.401 2.928 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC ZINC000452571500 477002759 /nfs/dbraw/zinc/00/27/59/477002759.db2.gz PDPMAIIGMPLUDL-UHFFFAOYSA-N 1 2 334.401 2.853 20 5 EFBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(C)C ZINC000416058938 477006241 /nfs/dbraw/zinc/00/62/41/477006241.db2.gz KPLHJPBFCYZWBC-AWEZNQCLSA-N 1 2 346.387 2.571 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)[C@H]1C ZINC000416114966 477024483 /nfs/dbraw/zinc/02/44/83/477024483.db2.gz MNEZETZXVBIZHO-AGIUHOORSA-N 1 2 328.372 2.897 20 5 EFBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000431469946 477035158 /nfs/dbraw/zinc/03/51/58/477035158.db2.gz ISFVODRDPGSDKF-UHFFFAOYSA-N 1 2 339.149 2.768 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@@H]1CCCCO1 ZINC000447802784 477060404 /nfs/dbraw/zinc/06/04/04/477060404.db2.gz NUBJJBDVSWCLRN-INIZCTEOSA-N 1 2 349.431 2.798 20 5 EFBDLO CO[C@@H]1CCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817913 477065909 /nfs/dbraw/zinc/06/59/09/477065909.db2.gz TZMRYPQQRRUMKM-CRAIPNDOSA-N 1 2 349.431 2.654 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000366652626 477116406 /nfs/dbraw/zinc/11/64/06/477116406.db2.gz KYQJTKFMZROPCS-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000366652626 477116408 /nfs/dbraw/zinc/11/64/08/477116408.db2.gz KYQJTKFMZROPCS-MSOLQXFVSA-N 1 2 328.368 2.702 20 5 EFBDLO C[C@@H]1C[N@@H+](CCN(C)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432178506 477174907 /nfs/dbraw/zinc/17/49/07/477174907.db2.gz UERMXGZITIQHLR-TXEJJXNPSA-N 1 2 327.812 2.794 20 5 EFBDLO C[C@@H]1C[N@H+](CCN(C)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432178506 477174912 /nfs/dbraw/zinc/17/49/12/477174912.db2.gz UERMXGZITIQHLR-TXEJJXNPSA-N 1 2 327.812 2.794 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000453578785 477240971 /nfs/dbraw/zinc/24/09/71/477240971.db2.gz RAYHUHOAKMAVFW-UHFFFAOYSA-N 1 2 345.428 2.646 20 5 EFBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000453603513 477248360 /nfs/dbraw/zinc/24/83/60/477248360.db2.gz HZBVEKBNQSCAEH-KRWDZBQOSA-N 1 2 336.388 2.854 20 5 EFBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000453603513 477248366 /nfs/dbraw/zinc/24/83/66/477248366.db2.gz HZBVEKBNQSCAEH-KRWDZBQOSA-N 1 2 336.388 2.854 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376467122 477349270 /nfs/dbraw/zinc/34/92/70/477349270.db2.gz MPHMPKDBQWWSPQ-OAHLLOKOSA-N 1 2 327.340 2.850 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000411772161 477361558 /nfs/dbraw/zinc/36/15/58/477361558.db2.gz QDEKDTDPXLFFRR-DLBZAZTESA-N 1 2 340.383 2.759 20 5 EFBDLO COC(=O)c1cccc(OCc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000413012095 477471943 /nfs/dbraw/zinc/47/19/43/477471943.db2.gz CVUBZOKKIDODDE-UHFFFAOYSA-N 1 2 346.339 2.981 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NCc1cccs1 ZINC000436425737 477478786 /nfs/dbraw/zinc/47/87/86/477478786.db2.gz SWIIGANGXKLGOW-GFCCVEGCSA-N 1 2 333.413 2.966 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NCc1cccs1 ZINC000436425737 477478791 /nfs/dbraw/zinc/47/87/91/477478791.db2.gz SWIIGANGXKLGOW-GFCCVEGCSA-N 1 2 333.413 2.966 20 5 EFBDLO O=C(C1CC1)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413039811 477482631 /nfs/dbraw/zinc/48/26/31/477482631.db2.gz ITXIPHBUSPOAAZ-UHFFFAOYSA-N 1 2 340.383 2.956 20 5 EFBDLO C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000455097577 477498414 /nfs/dbraw/zinc/49/84/14/477498414.db2.gz CUVGZDVCLHQZNH-MJVIPROJSA-N 1 2 329.360 2.858 20 5 EFBDLO O=C(CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000413081310 477505701 /nfs/dbraw/zinc/50/57/01/477505701.db2.gz POMDFWLKQKZICZ-UHFFFAOYSA-N 1 2 328.372 2.958 20 5 EFBDLO C[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000413122685 477532207 /nfs/dbraw/zinc/53/22/07/477532207.db2.gz KRSSUGMOBPWKRJ-VHSXEESVSA-N 1 2 348.325 2.530 20 5 EFBDLO CC(C)(C)N1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413174603 477553752 /nfs/dbraw/zinc/55/37/52/477553752.db2.gz DPDHBAHMXAYAET-LBPRGKRZSA-N 1 2 328.372 2.954 20 5 EFBDLO CC(C)(C)N1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413174602 477554269 /nfs/dbraw/zinc/55/42/69/477554269.db2.gz DPDHBAHMXAYAET-GFCCVEGCSA-N 1 2 328.372 2.954 20 5 EFBDLO C[C@@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000449897581 477576307 /nfs/dbraw/zinc/57/63/07/477576307.db2.gz VRCIMOUMXRYRAE-RYUDHWBXSA-N 1 2 346.412 2.747 20 5 EFBDLO CC(C)(C)OC(=O)[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413223037 477578534 /nfs/dbraw/zinc/57/85/34/477578534.db2.gz BQAUUZKYAHTVJV-QGZVFWFLSA-N 1 2 347.371 2.648 20 5 EFBDLO COC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000413251006 477589239 /nfs/dbraw/zinc/58/92/39/477589239.db2.gz WGUAXRXICLYYNE-UHFFFAOYSA-N 1 2 345.355 2.525 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000458808968 477607294 /nfs/dbraw/zinc/60/72/94/477607294.db2.gz IYRBXYSNEHVNGQ-UHFFFAOYSA-N 1 2 344.371 2.733 20 5 EFBDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450564654 477635837 /nfs/dbraw/zinc/63/58/37/477635837.db2.gz SRCCGFUXPDDTOW-NSHDSACASA-N 1 2 330.392 2.564 20 5 EFBDLO CC(C)c1nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000450564654 477635843 /nfs/dbraw/zinc/63/58/43/477635843.db2.gz SRCCGFUXPDDTOW-NSHDSACASA-N 1 2 330.392 2.564 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000455460026 477642168 /nfs/dbraw/zinc/64/21/68/477642168.db2.gz BJZPEGSCAUKZIN-CYBMUJFWSA-N 1 2 345.403 2.756 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436954309 477647786 /nfs/dbraw/zinc/64/77/86/477647786.db2.gz VJRSNLVICZEOHX-OKILXGFUSA-N 1 2 349.431 2.788 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436954309 477647790 /nfs/dbraw/zinc/64/77/90/477647790.db2.gz VJRSNLVICZEOHX-OKILXGFUSA-N 1 2 349.431 2.788 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455482947 477653969 /nfs/dbraw/zinc/65/39/69/477653969.db2.gz PSBOFQHVPDYQHI-IUODEOHRSA-N 1 2 343.387 2.681 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000367735140 477663179 /nfs/dbraw/zinc/66/31/79/477663179.db2.gz WXUIPILIGSMBAO-AAEUAGOBSA-N 1 2 325.796 2.548 20 5 EFBDLO CO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395208 477680724 /nfs/dbraw/zinc/68/07/24/477680724.db2.gz NBBDOCWNCGVUMD-GFCCVEGCSA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395208 477680733 /nfs/dbraw/zinc/68/07/33/477680733.db2.gz NBBDOCWNCGVUMD-GFCCVEGCSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1ccc[nH+]c1CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000450724291 477697336 /nfs/dbraw/zinc/69/73/36/477697336.db2.gz MYDPXFLBQAPAIH-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000377259212 477713601 /nfs/dbraw/zinc/71/36/01/477713601.db2.gz VHNJQGCIAHOJDZ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000377259212 477713609 /nfs/dbraw/zinc/71/36/09/477713609.db2.gz VHNJQGCIAHOJDZ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC(C)(C[NH+]1CCOCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000413531817 477716631 /nfs/dbraw/zinc/71/66/31/477716631.db2.gz AABQQPUDXJEMBI-UHFFFAOYSA-N 1 2 330.388 2.666 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372293452 477740101 /nfs/dbraw/zinc/74/01/01/477740101.db2.gz DTYIYKNEIQUBMJ-DZGCQCFKSA-N 1 2 347.415 2.813 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372293452 477740109 /nfs/dbraw/zinc/74/01/09/477740109.db2.gz DTYIYKNEIQUBMJ-DZGCQCFKSA-N 1 2 347.415 2.813 20 5 EFBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)o1 ZINC000450896763 477752480 /nfs/dbraw/zinc/75/24/80/477752480.db2.gz OMGVSSFBHRCBNJ-VIFPVBQESA-N 1 2 338.751 2.716 20 5 EFBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)o1 ZINC000450896763 477752485 /nfs/dbraw/zinc/75/24/85/477752485.db2.gz OMGVSSFBHRCBNJ-VIFPVBQESA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000450896763 477752493 /nfs/dbraw/zinc/75/24/93/477752493.db2.gz OMGVSSFBHRCBNJ-VIFPVBQESA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000450896763 477752501 /nfs/dbraw/zinc/75/25/01/477752501.db2.gz OMGVSSFBHRCBNJ-VIFPVBQESA-N 1 2 338.751 2.716 20 5 EFBDLO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437878922 477770467 /nfs/dbraw/zinc/77/04/67/477770467.db2.gz RNXJUANVANEZMC-OAHLLOKOSA-N 1 2 347.415 2.827 20 5 EFBDLO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437878922 477770468 /nfs/dbraw/zinc/77/04/68/477770468.db2.gz RNXJUANVANEZMC-OAHLLOKOSA-N 1 2 347.415 2.827 20 5 EFBDLO COC(=O)c1csc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000450944695 477770770 /nfs/dbraw/zinc/77/07/70/477770770.db2.gz UVXIOUYLNVDQMH-UHFFFAOYSA-N 1 2 335.385 2.512 20 5 EFBDLO COC(=O)c1csc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000450944695 477770779 /nfs/dbraw/zinc/77/07/79/477770779.db2.gz UVXIOUYLNVDQMH-UHFFFAOYSA-N 1 2 335.385 2.512 20 5 EFBDLO Cc1cc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420847866 477793799 /nfs/dbraw/zinc/79/37/99/477793799.db2.gz KUBXBZMJLVLWQT-UHFFFAOYSA-N 1 2 342.399 2.991 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428002689 477803025 /nfs/dbraw/zinc/80/30/25/477803025.db2.gz ZAIPLTBLNXIXNA-ZDUSSCGKSA-N 1 2 342.399 2.834 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428002688 477803194 /nfs/dbraw/zinc/80/31/94/477803194.db2.gz ZAIPLTBLNXIXNA-CYBMUJFWSA-N 1 2 342.399 2.834 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420944698 477845269 /nfs/dbraw/zinc/84/52/69/477845269.db2.gz ACHXZFSARRSSBQ-WQVCFCJDSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420944698 477845276 /nfs/dbraw/zinc/84/52/76/477845276.db2.gz ACHXZFSARRSSBQ-WQVCFCJDSA-N 1 2 335.404 2.811 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456362302 477886816 /nfs/dbraw/zinc/88/68/16/477886816.db2.gz DWPLBAAXHXEKEW-OLZOCXBDSA-N 1 2 344.371 2.691 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000456365748 477890427 /nfs/dbraw/zinc/89/04/27/477890427.db2.gz WFGPPDVUUGQSFT-NSHDSACASA-N 1 2 332.360 2.619 20 5 EFBDLO Cc1cc(N[C@H](CO)C2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000558604186 477894241 /nfs/dbraw/zinc/89/42/41/477894241.db2.gz DBCOYCIGVKOXQC-MRXNPFEDSA-N 1 2 342.399 2.745 20 5 EFBDLO CCc1cc(N[C@@H](CCO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462113689 477896955 /nfs/dbraw/zinc/89/69/55/477896955.db2.gz UOPMASNAAXMYGV-INIZCTEOSA-N 1 2 344.415 2.855 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428466608 477904031 /nfs/dbraw/zinc/90/40/31/477904031.db2.gz WERFIYHZEHWELJ-GFCCVEGCSA-N 1 2 345.424 2.986 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428466608 477904038 /nfs/dbraw/zinc/90/40/38/477904038.db2.gz WERFIYHZEHWELJ-GFCCVEGCSA-N 1 2 345.424 2.986 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000456402128 477913863 /nfs/dbraw/zinc/91/38/63/477913863.db2.gz VZRVQOUYKANIRW-NSHDSACASA-N 1 2 343.387 2.877 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2[nH+]ccn21 ZINC000456406869 477917251 /nfs/dbraw/zinc/91/72/51/477917251.db2.gz YKCGGSZUHJHROS-ONGXEEELSA-N 1 2 325.328 2.708 20 5 EFBDLO CCc1cc(NCCC[C@H](O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462883405 477921076 /nfs/dbraw/zinc/92/10/76/477921076.db2.gz LJKWITGBGGXSHC-MRXNPFEDSA-N 1 2 344.415 2.999 20 5 EFBDLO C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)n1cc[nH+]c1 ZINC000516476609 477938769 /nfs/dbraw/zinc/93/87/69/477938769.db2.gz VYRAXPIRHKXULR-CYBMUJFWSA-N 1 2 328.372 2.934 20 5 EFBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464835997 477964936 /nfs/dbraw/zinc/96/49/36/477964936.db2.gz WEURUSTYHJRIMW-GOSISDBHSA-N 1 2 340.379 2.910 20 5 EFBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464835997 477964942 /nfs/dbraw/zinc/96/49/42/477964942.db2.gz WEURUSTYHJRIMW-GOSISDBHSA-N 1 2 340.379 2.910 20 5 EFBDLO CC1=C(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451383454 477986676 /nfs/dbraw/zinc/98/66/76/477986676.db2.gz KXNSKYAAZBLKIN-UHFFFAOYSA-N 1 2 326.356 2.963 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494655172 478034434 /nfs/dbraw/zinc/03/44/34/478034434.db2.gz ZXKGUNUFRUCVQQ-INIZCTEOSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494655172 478034443 /nfs/dbraw/zinc/03/44/43/478034443.db2.gz ZXKGUNUFRUCVQQ-INIZCTEOSA-N 1 2 347.415 2.733 20 5 EFBDLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547659 478082829 /nfs/dbraw/zinc/08/28/29/478082829.db2.gz LJQFVARRAWDYBJ-OAHLLOKOSA-N 1 2 329.404 2.976 20 5 EFBDLO CCCn1ncnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547659 478082834 /nfs/dbraw/zinc/08/28/34/478082834.db2.gz LJQFVARRAWDYBJ-OAHLLOKOSA-N 1 2 329.404 2.976 20 5 EFBDLO CCOc1cc(N2CC[NH+](C[C@H](F)CC)CC2)ccc1[N+](=O)[O-] ZINC000440506156 478125306 /nfs/dbraw/zinc/12/53/06/478125306.db2.gz DEPYLRFEKJNXQB-CYBMUJFWSA-N 1 2 325.384 2.864 20 5 EFBDLO C[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000518283240 478155626 /nfs/dbraw/zinc/15/56/26/478155626.db2.gz NKWRYCANVOFNDI-AWEZNQCLSA-N 1 2 339.395 2.966 20 5 EFBDLO C[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000518283240 478155633 /nfs/dbraw/zinc/15/56/33/478155633.db2.gz NKWRYCANVOFNDI-AWEZNQCLSA-N 1 2 339.395 2.966 20 5 EFBDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429570203 478157287 /nfs/dbraw/zinc/15/72/87/478157287.db2.gz OBOYCFMXOOJBNF-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429570203 478157290 /nfs/dbraw/zinc/15/72/90/478157290.db2.gz OBOYCFMXOOJBNF-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO COCC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000488683763 478170165 /nfs/dbraw/zinc/17/01/65/478170165.db2.gz AHVQQZDYAADLAZ-UHFFFAOYSA-N 1 2 337.420 2.512 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cn1 ZINC000535785869 478231498 /nfs/dbraw/zinc/23/14/98/478231498.db2.gz ZIZDMZSRNUDGTD-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO CCOc1cc(C[NH+]2CCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000562337736 478234280 /nfs/dbraw/zinc/23/42/80/478234280.db2.gz AJXLLMBZRLDQEL-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000490077526 478310275 /nfs/dbraw/zinc/31/02/75/478310275.db2.gz RIHKZTIXTKSYHB-AWEZNQCLSA-N 1 2 338.795 2.801 20 5 EFBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000490077526 478310283 /nfs/dbraw/zinc/31/02/83/478310283.db2.gz RIHKZTIXTKSYHB-AWEZNQCLSA-N 1 2 338.795 2.801 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1 ZINC000590754593 478320305 /nfs/dbraw/zinc/32/03/05/478320305.db2.gz LVGDGNNWPOKWIO-QGZVFWFLSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1 ZINC000590754593 478320312 /nfs/dbraw/zinc/32/03/12/478320312.db2.gz LVGDGNNWPOKWIO-QGZVFWFLSA-N 1 2 340.383 2.536 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326473 478332287 /nfs/dbraw/zinc/33/22/87/478332287.db2.gz YYKNUSPSDSFLBX-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326473 478332297 /nfs/dbraw/zinc/33/22/97/478332297.db2.gz YYKNUSPSDSFLBX-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO O=C(NC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590912767 478395046 /nfs/dbraw/zinc/39/50/46/478395046.db2.gz FZXLALLASYHTEO-UHFFFAOYSA-N 1 2 340.261 2.605 20 5 EFBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594514459 478421302 /nfs/dbraw/zinc/42/13/02/478421302.db2.gz YFKWYUXQHXDJGZ-IUODEOHRSA-N 1 2 345.403 2.675 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)CCC2 ZINC000581737193 478434894 /nfs/dbraw/zinc/43/48/94/478434894.db2.gz ZQQCMOYKQOLWPJ-ZDUSSCGKSA-N 1 2 345.403 2.693 20 5 EFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCCOC2)O1 ZINC000591157978 478478948 /nfs/dbraw/zinc/47/89/48/478478948.db2.gz DBTVYGPUTMMYJF-SCLBCKFNSA-N 1 2 343.383 2.917 20 5 EFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000591157986 478479709 /nfs/dbraw/zinc/47/97/09/478479709.db2.gz DVEDEPNPLSBLQS-YVEFUNNKSA-N 1 2 329.356 2.527 20 5 EFBDLO C[C@@H]1OCC[C@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000591159722 478479751 /nfs/dbraw/zinc/47/97/51/478479751.db2.gz YTMBTVMJYQHBNY-VBHSOAQHSA-N 1 2 343.383 2.916 20 5 EFBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582278097 478556190 /nfs/dbraw/zinc/55/61/90/478556190.db2.gz GQSBIBAMMYTGBU-AWEZNQCLSA-N 1 2 343.383 2.636 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491466399 478557273 /nfs/dbraw/zinc/55/72/73/478557273.db2.gz WJRQNJVWUUCSTL-AFNCTOJWSA-N 1 2 326.356 2.737 20 5 EFBDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000541686653 478578956 /nfs/dbraw/zinc/57/89/56/478578956.db2.gz KBLOPNQYTXUCNZ-MRXNPFEDSA-N 1 2 336.388 2.685 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597939776 478587194 /nfs/dbraw/zinc/58/71/94/478587194.db2.gz BGZULGWMOJDYNQ-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO COc1cc(C[NH2+]Cc2c(OC)cccc2OC)c([N+](=O)[O-])cc1O ZINC000594966307 478609757 /nfs/dbraw/zinc/60/97/57/478609757.db2.gz FWVDTJSMSLVYNY-UHFFFAOYSA-N 1 2 348.355 2.616 20 5 EFBDLO CCn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1 ZINC000594971369 478614377 /nfs/dbraw/zinc/61/43/77/478614377.db2.gz GTQURTVKNIKRAI-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000595028542 478634260 /nfs/dbraw/zinc/63/42/60/478634260.db2.gz DOXWBGPHZQHMQD-GFCCVEGCSA-N 1 2 346.387 2.600 20 5 EFBDLO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)n1 ZINC000595040679 478638673 /nfs/dbraw/zinc/63/86/73/478638673.db2.gz ZAHUMMROXFIVRH-NSHDSACASA-N 1 2 347.371 2.866 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664050 478654895 /nfs/dbraw/zinc/65/48/95/478654895.db2.gz VFWUVEVXFLNNGL-JSGCOSHPSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664050 478654903 /nfs/dbraw/zinc/65/49/03/478654903.db2.gz VFWUVEVXFLNNGL-JSGCOSHPSA-N 1 2 347.415 2.874 20 5 EFBDLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000542689585 478674106 /nfs/dbraw/zinc/67/41/06/478674106.db2.gz LFFMHRDJRSPQFG-LBPRGKRZSA-N 1 2 334.351 2.631 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895172 478703547 /nfs/dbraw/zinc/70/35/47/478703547.db2.gz MIWOWCGKFLWJHF-BDJLRTHQSA-N 1 2 346.412 2.771 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895172 478703550 /nfs/dbraw/zinc/70/35/50/478703550.db2.gz MIWOWCGKFLWJHF-BDJLRTHQSA-N 1 2 346.412 2.771 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000595290724 478717384 /nfs/dbraw/zinc/71/73/84/478717384.db2.gz LDGURSSTTOJNKF-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO Cc1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000564315349 478720190 /nfs/dbraw/zinc/72/01/90/478720190.db2.gz PBGMPNIUXTZOCY-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000595330799 478734110 /nfs/dbraw/zinc/73/41/10/478734110.db2.gz PCQQIMKJTJXXFH-UHFFFAOYSA-N 1 2 333.344 2.635 20 5 EFBDLO Cc1noc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595347556 478741438 /nfs/dbraw/zinc/74/14/38/478741438.db2.gz MQOOHFMDHLROSR-LBPRGKRZSA-N 1 2 339.392 2.835 20 5 EFBDLO Cc1noc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595347556 478741442 /nfs/dbraw/zinc/74/14/42/478741442.db2.gz MQOOHFMDHLROSR-LBPRGKRZSA-N 1 2 339.392 2.835 20 5 EFBDLO O=[N+]([O-])c1ncccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241013 478743651 /nfs/dbraw/zinc/74/36/51/478743651.db2.gz UUPBWMJYXAKVCJ-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO CCCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000595372460 478753323 /nfs/dbraw/zinc/75/33/23/478753323.db2.gz JSDFFXUWEMIYEN-AWEZNQCLSA-N 1 2 344.408 2.523 20 5 EFBDLO CCCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000595372460 478753327 /nfs/dbraw/zinc/75/33/27/478753327.db2.gz JSDFFXUWEMIYEN-AWEZNQCLSA-N 1 2 344.408 2.523 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c1[N+](=O)[O-] ZINC000595377071 478754797 /nfs/dbraw/zinc/75/47/97/478754797.db2.gz NESVOXFDHJSCEU-AWEZNQCLSA-N 1 2 327.344 2.619 20 5 EFBDLO Cc1cccn2cc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)[nH+]c12 ZINC000583106618 478765031 /nfs/dbraw/zinc/76/50/31/478765031.db2.gz GLZJKYKENVRXTJ-UHFFFAOYSA-N 1 2 334.339 2.858 20 5 EFBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595418733 478767319 /nfs/dbraw/zinc/76/73/19/478767319.db2.gz RASDZEWDKRYPOG-MRVPVSSYSA-N 1 2 339.323 2.898 20 5 EFBDLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595420641 478769465 /nfs/dbraw/zinc/76/94/65/478769465.db2.gz PUZXLGYAYAJJDE-HNNXBMFYSA-N 1 2 347.371 2.921 20 5 EFBDLO CCc1cc(NC[C@]2(C)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000498942096 478770308 /nfs/dbraw/zinc/77/03/08/478770308.db2.gz ULLOWHMVIWECSX-SFHVURJKSA-N 1 2 342.399 2.875 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601307007 478776254 /nfs/dbraw/zinc/77/62/54/478776254.db2.gz VAXWNRXGQXCEDZ-UPJWGTAASA-N 1 2 340.305 2.958 20 5 EFBDLO C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000601314521 478780415 /nfs/dbraw/zinc/78/04/15/478780415.db2.gz IPAFNPNXLOORHX-SMDDNHRTSA-N 1 2 332.335 2.654 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000572395968 478825892 /nfs/dbraw/zinc/82/58/92/478825892.db2.gz SHIYQSDXESGTRR-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000595451317 478792304 /nfs/dbraw/zinc/79/23/04/478792304.db2.gz WJWNONIJFCTKGX-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO Cc1noc(C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595456802 478795981 /nfs/dbraw/zinc/79/59/81/478795981.db2.gz GQBYTHOCKJZJAZ-NSHDSACASA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1noc(C[N@@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595456802 478795983 /nfs/dbraw/zinc/79/59/83/478795983.db2.gz GQBYTHOCKJZJAZ-NSHDSACASA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000564791335 478812195 /nfs/dbraw/zinc/81/21/95/478812195.db2.gz AKFKCNQVYHHNBV-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000564791335 478812200 /nfs/dbraw/zinc/81/22/00/478812200.db2.gz AKFKCNQVYHHNBV-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000595483959 478812720 /nfs/dbraw/zinc/81/27/20/478812720.db2.gz NNDXJBSOMWDYIF-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC000592186988 478819220 /nfs/dbraw/zinc/81/92/20/478819220.db2.gz RKFZWLNAXNMAQF-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC000592186988 478819225 /nfs/dbraw/zinc/81/92/25/478819225.db2.gz RKFZWLNAXNMAQF-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000572395968 478825885 /nfs/dbraw/zinc/82/58/85/478825885.db2.gz SHIYQSDXESGTRR-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460202 478836719 /nfs/dbraw/zinc/83/67/19/478836719.db2.gz SNFKJYLRGOGHFK-WDEREUQCSA-N 1 2 334.401 2.686 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1[nH+]ccn1C ZINC000598465305 478838344 /nfs/dbraw/zinc/83/83/44/478838344.db2.gz PPEQMZPTPIPYLF-MRVPVSSYSA-N 1 2 342.277 2.838 20 5 EFBDLO COC(=O)C1([N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595545781 478847842 /nfs/dbraw/zinc/84/78/42/478847842.db2.gz IBURMPCGJQTFQC-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO COC(=O)C1([N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595545781 478847852 /nfs/dbraw/zinc/84/78/52/478847852.db2.gz IBURMPCGJQTFQC-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO CCC(CC)(CO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511621130 478980311 /nfs/dbraw/zinc/98/03/11/478980311.db2.gz XVHJBKDJBPCYCG-UHFFFAOYSA-N 1 2 344.415 2.993 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000512687202 479002165 /nfs/dbraw/zinc/00/21/65/479002165.db2.gz ODGFPZGAZULNCD-CVEARBPZSA-N 1 2 331.416 2.961 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000512687202 479002171 /nfs/dbraw/zinc/00/21/71/479002171.db2.gz ODGFPZGAZULNCD-CVEARBPZSA-N 1 2 331.416 2.961 20 5 EFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592947514 479106190 /nfs/dbraw/zinc/10/61/90/479106190.db2.gz LKEAFHSMVXWNAY-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c[nH+]1 ZINC000596077134 479125051 /nfs/dbraw/zinc/12/50/51/479125051.db2.gz KWBIAGWDABZTPA-UHFFFAOYSA-N 1 2 343.387 2.547 20 5 EFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(CC(F)(F)F)CC1 ZINC000599021874 479129835 /nfs/dbraw/zinc/12/98/35/479129835.db2.gz FASJKIWRKAYKLV-UHFFFAOYSA-N 1 2 340.305 2.827 20 5 EFBDLO Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])s1 ZINC000596089649 479131796 /nfs/dbraw/zinc/13/17/96/479131796.db2.gz RHTOLNRXKVNLPN-AWEZNQCLSA-N 1 2 343.474 2.585 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000596097177 479136175 /nfs/dbraw/zinc/13/61/75/479136175.db2.gz FQXVKXQEQRGNBV-UHFFFAOYSA-N 1 2 348.790 2.641 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055714 479146440 /nfs/dbraw/zinc/14/64/40/479146440.db2.gz NFPBJIPMEXQTFF-HNNXBMFYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055714 479146444 /nfs/dbraw/zinc/14/64/44/479146444.db2.gz NFPBJIPMEXQTFF-HNNXBMFYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1 ZINC000599071286 479149524 /nfs/dbraw/zinc/14/95/24/479149524.db2.gz SOIXWSPVJRMWRA-OAHLLOKOSA-N 1 2 344.350 2.696 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593059988 479150894 /nfs/dbraw/zinc/15/08/94/479150894.db2.gz URKMMMWKWYSIGU-HIFRSBDPSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593059988 479150900 /nfs/dbraw/zinc/15/09/00/479150900.db2.gz URKMMMWKWYSIGU-HIFRSBDPSA-N 1 2 335.404 2.731 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCc1[nH]c2ccccc2[nH+]1 ZINC000599093379 479159868 /nfs/dbraw/zinc/15/98/68/479159868.db2.gz XSJGXPPNYXYXFY-UHFFFAOYSA-N 1 2 328.376 2.675 20 5 EFBDLO C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)n1cc[nH+]c1 ZINC000593102362 479176370 /nfs/dbraw/zinc/17/63/70/479176370.db2.gz ZNMWUCZSHQIRGA-CYBMUJFWSA-N 1 2 328.372 2.934 20 5 EFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596216878 479205917 /nfs/dbraw/zinc/20/59/17/479205917.db2.gz UWNLNISBIUZDFT-HNNXBMFYSA-N 1 2 343.387 2.642 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610859851 479212299 /nfs/dbraw/zinc/21/22/99/479212299.db2.gz QDBWQIQCOHBKAW-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610859851 479212305 /nfs/dbraw/zinc/21/23/05/479212305.db2.gz QDBWQIQCOHBKAW-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000584784604 479243002 /nfs/dbraw/zinc/24/30/02/479243002.db2.gz QXZBBMLMGXHZOW-LLVKDONJSA-N 1 2 336.779 2.755 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000596428836 479292072 /nfs/dbraw/zinc/29/20/72/479292072.db2.gz IOHKELOWJQYBBG-MNOVXSKESA-N 1 2 345.346 2.717 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000596428836 479292079 /nfs/dbraw/zinc/29/20/79/479292079.db2.gz IOHKELOWJQYBBG-MNOVXSKESA-N 1 2 345.346 2.717 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](Cc2ccccc2)C1 ZINC000593322303 479294970 /nfs/dbraw/zinc/29/49/70/479294970.db2.gz MAVZKCLFASKAAA-AWEZNQCLSA-N 1 2 345.424 2.655 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](Cc2ccccc2)C1 ZINC000593322303 479294973 /nfs/dbraw/zinc/29/49/73/479294973.db2.gz MAVZKCLFASKAAA-AWEZNQCLSA-N 1 2 345.424 2.655 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOc3ccccc3C1)OCCO2 ZINC000611262839 479328573 /nfs/dbraw/zinc/32/85/73/479328573.db2.gz NIXKVXVHONIALO-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOc3ccccc3C1)OCCO2 ZINC000611262839 479328578 /nfs/dbraw/zinc/32/85/78/479328578.db2.gz NIXKVXVHONIALO-UHFFFAOYSA-N 1 2 342.351 2.761 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@H]1c1[nH]cc[nH+]1)OCCO2 ZINC000611266912 479329766 /nfs/dbraw/zinc/32/97/66/479329766.db2.gz SANIUAUCTJEOOA-ZDUSSCGKSA-N 1 2 344.371 2.816 20 5 EFBDLO Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611273801 479333936 /nfs/dbraw/zinc/33/39/36/479333936.db2.gz BEJHKDOAMQQTOS-UHFFFAOYSA-N 1 2 329.356 2.701 20 5 EFBDLO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611273801 479333941 /nfs/dbraw/zinc/33/39/41/479333941.db2.gz BEJHKDOAMQQTOS-UHFFFAOYSA-N 1 2 329.356 2.701 20 5 EFBDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602456413 479342162 /nfs/dbraw/zinc/34/21/62/479342162.db2.gz WFGKQCPUFOOOJQ-QGZVFWFLSA-N 1 2 341.415 2.602 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@]2(CO)CCc3ccccc32)c(F)c1 ZINC000586767922 479348030 /nfs/dbraw/zinc/34/80/30/479348030.db2.gz YNMQRMWINVFLBZ-QGZVFWFLSA-N 1 2 334.322 2.797 20 5 EFBDLO CC1(O)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602472951 479353215 /nfs/dbraw/zinc/35/32/15/479353215.db2.gz SUFLDJFCLGNOFQ-UHFFFAOYSA-N 1 2 335.223 2.766 20 5 EFBDLO Cc1cc[nH+]cc1Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000596617988 479360651 /nfs/dbraw/zinc/36/06/51/479360651.db2.gz ZJKNEYKUZYERGS-UHFFFAOYSA-N 1 2 328.332 2.786 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1O ZINC000602493696 479366733 /nfs/dbraw/zinc/36/67/33/479366733.db2.gz KMEISNDWNMWTRU-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1O ZINC000602493696 479366736 /nfs/dbraw/zinc/36/67/36/479366736.db2.gz KMEISNDWNMWTRU-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647703 479367502 /nfs/dbraw/zinc/36/75/02/479367502.db2.gz SXNDWLFDYCDGFX-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599647703 479367509 /nfs/dbraw/zinc/36/75/09/479367509.db2.gz SXNDWLFDYCDGFX-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602591783 479413820 /nfs/dbraw/zinc/41/38/20/479413820.db2.gz MLUUXPJJVVJBKO-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cc1cc(N2CCN(c3cccnc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000603842099 479435994 /nfs/dbraw/zinc/43/59/94/479435994.db2.gz GJMBFNYKCJXVGR-UHFFFAOYSA-N 1 2 342.403 2.538 20 5 EFBDLO O=[N+]([O-])c1ncccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000603839430 479436589 /nfs/dbraw/zinc/43/65/89/479436589.db2.gz CBMZQDUPLSRNSQ-CYBMUJFWSA-N 1 2 334.401 2.537 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3cccc(F)c3)nc2c1 ZINC000611680919 479445370 /nfs/dbraw/zinc/44/53/70/479445370.db2.gz JTEGEPKJNWQCRF-CQSZACIVSA-N 1 2 331.303 2.698 20 5 EFBDLO Cc1cccc2[nH+]c(CNc3ncnc4ccc([N+](=O)[O-])cc43)cn21 ZINC000611707511 479451686 /nfs/dbraw/zinc/45/16/86/479451686.db2.gz SAGOTFICNKJYBB-UHFFFAOYSA-N 1 2 334.339 2.528 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c12 ZINC000618462915 479456240 /nfs/dbraw/zinc/45/62/40/479456240.db2.gz OEPIJUCHKIUDRY-UHFFFAOYSA-N 1 2 338.367 2.832 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000589113263 479479666 /nfs/dbraw/zinc/47/96/66/479479666.db2.gz HQKRSYGEKCQBAG-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000604199465 479486103 /nfs/dbraw/zinc/48/61/03/479486103.db2.gz SOAXEGZGCBDDER-ZDUSSCGKSA-N 1 2 348.428 2.869 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1CO ZINC000602717326 479501206 /nfs/dbraw/zinc/50/12/06/479501206.db2.gz ZWDBTAMAAPBKPO-RKDXNWHRSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1CO ZINC000602717326 479501213 /nfs/dbraw/zinc/50/12/13/479501213.db2.gz ZWDBTAMAAPBKPO-RKDXNWHRSA-N 1 2 349.250 2.869 20 5 EFBDLO CN(C)c1c[nH+]cc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602725368 479507909 /nfs/dbraw/zinc/50/79/09/479507909.db2.gz QFLPIGUJKKRFSG-UHFFFAOYSA-N 1 2 342.403 2.532 20 5 EFBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000589272893 479508850 /nfs/dbraw/zinc/50/88/50/479508850.db2.gz RQYCNTTUQIVGCE-GOEBONIOSA-N 1 2 330.388 2.861 20 5 EFBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000589272893 479508851 /nfs/dbraw/zinc/50/88/51/479508851.db2.gz RQYCNTTUQIVGCE-GOEBONIOSA-N 1 2 330.388 2.861 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000602762980 479535978 /nfs/dbraw/zinc/53/59/78/479535978.db2.gz INNZONNWBRWWAA-XJKSGUPXSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000602762980 479535987 /nfs/dbraw/zinc/53/59/87/479535987.db2.gz INNZONNWBRWWAA-XJKSGUPXSA-N 1 2 330.388 2.562 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccn1 ZINC000602782498 479549480 /nfs/dbraw/zinc/54/94/80/479549480.db2.gz GXVITIBCBVAEBU-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccn1 ZINC000602782498 479549485 /nfs/dbraw/zinc/54/94/85/479549485.db2.gz GXVITIBCBVAEBU-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000602786590 479551433 /nfs/dbraw/zinc/55/14/33/479551433.db2.gz RLUOOUJGTMPCIS-CZUORRHYSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000602786590 479551442 /nfs/dbraw/zinc/55/14/42/479551442.db2.gz RLUOOUJGTMPCIS-CZUORRHYSA-N 1 2 330.388 2.562 20 5 EFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000612028550 479554015 /nfs/dbraw/zinc/55/40/15/479554015.db2.gz RAKOYOPLRZXDQW-UHFFFAOYSA-N 1 2 340.426 2.562 20 5 EFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000612028550 479554022 /nfs/dbraw/zinc/55/40/22/479554022.db2.gz RAKOYOPLRZXDQW-UHFFFAOYSA-N 1 2 340.426 2.562 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026727 479554972 /nfs/dbraw/zinc/55/49/72/479554972.db2.gz NXTZIOHUYBBNKQ-AWEZNQCLSA-N 1 2 333.388 2.567 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026727 479554981 /nfs/dbraw/zinc/55/49/81/479554981.db2.gz NXTZIOHUYBBNKQ-AWEZNQCLSA-N 1 2 333.388 2.567 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026224 479555421 /nfs/dbraw/zinc/55/54/21/479555421.db2.gz GRJJWFBKTBAOQJ-MRXNPFEDSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026224 479555428 /nfs/dbraw/zinc/55/54/28/479555428.db2.gz GRJJWFBKTBAOQJ-MRXNPFEDSA-N 1 2 347.415 2.875 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026952 479555834 /nfs/dbraw/zinc/55/58/34/479555834.db2.gz QQDLRTQNXPTDJF-HIFRSBDPSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026952 479555839 /nfs/dbraw/zinc/55/58/39/479555839.db2.gz QQDLRTQNXPTDJF-HIFRSBDPSA-N 1 2 347.415 2.955 20 5 EFBDLO CCCc1nc(C)c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000589939752 479583865 /nfs/dbraw/zinc/58/38/65/479583865.db2.gz RSLCHLHRTYCGDS-UHFFFAOYSA-N 1 2 347.371 2.905 20 5 EFBDLO CCc1noc(C)c1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590193231 479615752 /nfs/dbraw/zinc/61/57/52/479615752.db2.gz RYPOCFWTXLTWLY-UHFFFAOYSA-N 1 2 333.344 2.515 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)o1 ZINC000597249097 479643008 /nfs/dbraw/zinc/64/30/08/479643008.db2.gz GVRDHJNPGOQVBH-UHFFFAOYSA-N 1 2 325.328 2.531 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCc3nn[nH]c3C2)o1 ZINC000597249097 479643012 /nfs/dbraw/zinc/64/30/12/479643012.db2.gz GVRDHJNPGOQVBH-UHFFFAOYSA-N 1 2 325.328 2.531 20 5 EFBDLO Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1[N+](=O)[O-] ZINC000590570297 479661295 /nfs/dbraw/zinc/66/12/95/479661295.db2.gz YULFEHCQYGQOHF-UHFFFAOYSA-N 1 2 347.806 2.548 20 5 EFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000619220908 479723105 /nfs/dbraw/zinc/72/31/05/479723105.db2.gz UCICZZPZWAWYMK-MRXNPFEDSA-N 1 2 336.388 2.613 20 5 EFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000619220908 479723113 /nfs/dbraw/zinc/72/31/13/479723113.db2.gz UCICZZPZWAWYMK-MRXNPFEDSA-N 1 2 336.388 2.613 20 5 EFBDLO C[C@@H]1C[C@H](C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615990633 479801888 /nfs/dbraw/zinc/80/18/88/479801888.db2.gz BIQSTEQZAILLGW-GASCZTMLSA-N 1 2 333.432 2.909 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000619531142 479819868 /nfs/dbraw/zinc/81/98/68/479819868.db2.gz WCYFERZPACTGOR-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000619531142 479819873 /nfs/dbraw/zinc/81/98/73/479819873.db2.gz WCYFERZPACTGOR-UHFFFAOYSA-N 1 2 349.431 2.826 20 5 EFBDLO Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609553314 480174622 /nfs/dbraw/zinc/17/46/22/480174622.db2.gz NRHYFTNKOLRFHP-AWEZNQCLSA-N 1 2 329.360 2.969 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874568 480215331 /nfs/dbraw/zinc/21/53/31/480215331.db2.gz MMLXKFLBJLWVJF-UHFFFAOYSA-N 1 2 345.786 2.994 20 5 EFBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610003887 480228276 /nfs/dbraw/zinc/22/82/76/480228276.db2.gz MQJWGZJNTVEBOM-NSHDSACASA-N 1 2 343.358 2.952 20 5 EFBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610003887 480228282 /nfs/dbraw/zinc/22/82/82/480228282.db2.gz MQJWGZJNTVEBOM-NSHDSACASA-N 1 2 343.358 2.952 20 5 EFBDLO CCc1cc(N[C@H](CC)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610131539 480241142 /nfs/dbraw/zinc/24/11/42/480241142.db2.gz HUWAGFSLGWWELZ-CYBMUJFWSA-N 1 2 330.388 2.609 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610368793 480291221 /nfs/dbraw/zinc/29/12/21/480291221.db2.gz QPSJLCMUDPIKAS-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccnc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610368793 480291226 /nfs/dbraw/zinc/29/12/26/480291226.db2.gz QPSJLCMUDPIKAS-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO CCc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000610371166 480293726 /nfs/dbraw/zinc/29/37/26/480293726.db2.gz AZYUZSDGHBKMKT-UHFFFAOYSA-N 1 2 332.360 2.584 20 5 EFBDLO CCc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610436994 480305972 /nfs/dbraw/zinc/30/59/72/480305972.db2.gz WRVWJABQTHYEHI-HNNXBMFYSA-N 1 2 328.372 2.831 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000610582071 480343706 /nfs/dbraw/zinc/34/37/06/480343706.db2.gz PXLRWSSXGDLEFU-GXFFZTMASA-N 1 2 345.277 2.624 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000610582071 480343708 /nfs/dbraw/zinc/34/37/08/480343708.db2.gz PXLRWSSXGDLEFU-GXFFZTMASA-N 1 2 345.277 2.624 20 5 EFBDLO O=C(NC1(C(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610704155 480368913 /nfs/dbraw/zinc/36/89/13/480368913.db2.gz BLKGKMDSRIWNJT-UHFFFAOYSA-N 1 2 340.261 2.605 20 5 EFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159151711 534094510 /nfs/dbraw/zinc/09/45/10/534094510.db2.gz FZBJVZUBKMDLQT-SUMWQHHRSA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159151711 534094515 /nfs/dbraw/zinc/09/45/15/534094515.db2.gz FZBJVZUBKMDLQT-SUMWQHHRSA-N 1 2 330.388 2.637 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173422326 534339475 /nfs/dbraw/zinc/33/94/75/534339475.db2.gz RLFIUJCERPRXBG-UHFFFAOYSA-N 1 2 334.401 2.823 20 5 EFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605715 519772349 /nfs/dbraw/zinc/77/23/49/519772349.db2.gz HKFCDZQQQQEOMC-CQSZACIVSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605715 519772350 /nfs/dbraw/zinc/77/23/50/519772350.db2.gz HKFCDZQQQQEOMC-CQSZACIVSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)n1cc[nH+]c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000195514724 520032038 /nfs/dbraw/zinc/03/20/38/520032038.db2.gz WNOPMOBYMULRPB-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000183938877 534537464 /nfs/dbraw/zinc/53/74/64/534537464.db2.gz VVWVHHMKSCAJEF-UHFFFAOYSA-N 1 2 334.401 2.823 20 5 EFBDLO CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000117337398 521654777 /nfs/dbraw/zinc/65/47/77/521654777.db2.gz RYSDGNOFUZLNIT-UHFFFAOYSA-N 1 2 343.330 2.870 20 5 EFBDLO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000117337398 521654780 /nfs/dbraw/zinc/65/47/80/521654780.db2.gz RYSDGNOFUZLNIT-UHFFFAOYSA-N 1 2 343.330 2.870 20 5 EFBDLO COc1cc(C[NH2+]Cc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1O ZINC000076894875 522470317 /nfs/dbraw/zinc/47/03/17/522470317.db2.gz JERLVAQLAMSQNB-UHFFFAOYSA-N 1 2 342.355 2.555 20 5 EFBDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606972 523153236 /nfs/dbraw/zinc/15/32/36/523153236.db2.gz JHDVTUHKMGEPCM-MRXNPFEDSA-N 1 2 331.416 2.744 20 5 EFBDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606972 523153245 /nfs/dbraw/zinc/15/32/45/523153245.db2.gz JHDVTUHKMGEPCM-MRXNPFEDSA-N 1 2 331.416 2.744 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000155316704 523491947 /nfs/dbraw/zinc/49/19/47/523491947.db2.gz IVAKDBWJCAHSEG-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000155316704 523491959 /nfs/dbraw/zinc/49/19/59/523491959.db2.gz IVAKDBWJCAHSEG-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000156903569 524030540 /nfs/dbraw/zinc/03/05/40/524030540.db2.gz IVSASHNAVDWTSK-ZDUSSCGKSA-N 1 2 336.388 2.910 20 5 EFBDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000156903569 524030542 /nfs/dbraw/zinc/03/05/42/524030542.db2.gz IVSASHNAVDWTSK-ZDUSSCGKSA-N 1 2 336.388 2.910 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245775635 524399055 /nfs/dbraw/zinc/39/90/55/524399055.db2.gz SPVXKFFXXHCBFR-GDBMZVCRSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245775635 524399061 /nfs/dbraw/zinc/39/90/61/524399061.db2.gz SPVXKFFXXHCBFR-GDBMZVCRSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000194861970 524901303 /nfs/dbraw/zinc/90/13/03/524901303.db2.gz QWSFSCOOEJPDIW-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO CC(=O)c1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000341422816 534823549 /nfs/dbraw/zinc/82/35/49/534823549.db2.gz TYMLMGPZVAJKGP-INIZCTEOSA-N 1 2 349.431 2.956 20 5 EFBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(N)=O)c1ccccc1 ZINC000182303608 525155928 /nfs/dbraw/zinc/15/59/28/525155928.db2.gz SCJPYAGYEXASKL-MRXNPFEDSA-N 1 2 333.775 2.739 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000153858414 525181852 /nfs/dbraw/zinc/18/18/52/525181852.db2.gz PUNSUEABXFHWPJ-HNNXBMFYSA-N 1 2 342.355 2.983 20 5 EFBDLO Cc1cccn2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000153388977 525470308 /nfs/dbraw/zinc/47/03/08/525470308.db2.gz DRBSNXCEIQMNIA-UHFFFAOYSA-N 1 2 342.330 2.549 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccn1 ZINC000181777394 525556341 /nfs/dbraw/zinc/55/63/41/525556341.db2.gz VKPUILMLESIMDI-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174666172 534887357 /nfs/dbraw/zinc/88/73/57/534887357.db2.gz RTDSLCOPUQAVBM-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000174666172 534887359 /nfs/dbraw/zinc/88/73/59/534887359.db2.gz RTDSLCOPUQAVBM-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069066911 526135290 /nfs/dbraw/zinc/13/52/90/526135290.db2.gz OGKBWOFKGGQUOW-LBPRGKRZSA-N 1 2 329.356 2.770 20 5 EFBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069066911 526135299 /nfs/dbraw/zinc/13/52/99/526135299.db2.gz OGKBWOFKGGQUOW-LBPRGKRZSA-N 1 2 329.356 2.770 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000120002607 526246609 /nfs/dbraw/zinc/24/66/09/526246609.db2.gz FAEIXYMYWVNYQU-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC000120540195 526260406 /nfs/dbraw/zinc/26/04/06/526260406.db2.gz WUVCXGBUWZHBEC-INIZCTEOSA-N 1 2 327.340 2.592 20 5 EFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000194703124 526536111 /nfs/dbraw/zinc/53/61/11/526536111.db2.gz PMAHQPCCUFEVEP-AWEZNQCLSA-N 1 2 344.371 2.841 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121171541 526611817 /nfs/dbraw/zinc/61/18/17/526611817.db2.gz SSAPLTCNAHKVLB-CYBMUJFWSA-N 1 2 347.758 2.937 20 5 EFBDLO O=C1CCCCN1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000120357407 526970358 /nfs/dbraw/zinc/97/03/58/526970358.db2.gz JGQIYKQCYGFCEP-UHFFFAOYSA-N 1 2 335.379 2.711 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000177663034 527164727 /nfs/dbraw/zinc/16/47/27/527164727.db2.gz CMOCVIPWHRRSJK-UHFFFAOYSA-N 1 2 325.328 2.595 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCS(=O)CC3)s2)cc1 ZINC000119383881 527342948 /nfs/dbraw/zinc/34/29/48/527342948.db2.gz DXYRVHJVNGWGMF-UHFFFAOYSA-N 1 2 336.438 2.888 20 5 EFBDLO CC(C)C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181916376 527652235 /nfs/dbraw/zinc/65/22/35/527652235.db2.gz AMFRRFLXLQBGGS-UHFFFAOYSA-N 1 2 340.445 2.737 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189715192 528076167 /nfs/dbraw/zinc/07/61/67/528076167.db2.gz ILPHZNWFNYIASJ-KBPBESRZSA-N 1 2 349.431 2.557 20 5 EFBDLO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000153922169 528781032 /nfs/dbraw/zinc/78/10/32/528781032.db2.gz RPHJYHVYEUUFDX-NSHDSACASA-N 1 2 348.852 2.893 20 5 EFBDLO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000153922169 528781037 /nfs/dbraw/zinc/78/10/37/528781037.db2.gz RPHJYHVYEUUFDX-NSHDSACASA-N 1 2 348.852 2.893 20 5 EFBDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154029157 528863560 /nfs/dbraw/zinc/86/35/60/528863560.db2.gz YBUXQTLLBBPVFL-HNNXBMFYSA-N 1 2 338.404 2.680 20 5 EFBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154029157 528863563 /nfs/dbraw/zinc/86/35/63/528863563.db2.gz YBUXQTLLBBPVFL-HNNXBMFYSA-N 1 2 338.404 2.680 20 5 EFBDLO CCCNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352006246 535013242 /nfs/dbraw/zinc/01/32/42/535013242.db2.gz TZQXWLCZHDGCRJ-UHFFFAOYSA-N 1 2 341.358 2.611 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000433987617 535324250 /nfs/dbraw/zinc/32/42/50/535324250.db2.gz HORZANPMXCOSMT-UHFFFAOYSA-N 1 2 340.343 2.879 20 5 EFBDLO CC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000347978817 535785681 /nfs/dbraw/zinc/78/56/81/535785681.db2.gz LNQOKIAVRNHVGN-CQSZACIVSA-N 1 2 331.376 2.778 20 5 EFBDLO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000349011521 535819643 /nfs/dbraw/zinc/81/96/43/535819643.db2.gz YNKOMZLCRGSKHQ-CYBMUJFWSA-N 1 2 349.431 2.931 20 5 EFBDLO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000349011521 535819644 /nfs/dbraw/zinc/81/96/44/535819644.db2.gz YNKOMZLCRGSKHQ-CYBMUJFWSA-N 1 2 349.431 2.931 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(Br)c1 ZINC000355782136 536454134 /nfs/dbraw/zinc/45/41/34/536454134.db2.gz DPTJIIXQLQSPEQ-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000355782136 536454135 /nfs/dbraw/zinc/45/41/35/536454135.db2.gz DPTJIIXQLQSPEQ-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO COc1cccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)c1[N+](=O)[O-] ZINC000346133088 537068823 /nfs/dbraw/zinc/06/88/23/537068823.db2.gz MHERWHDJHMWOLI-UHFFFAOYSA-N 1 2 326.312 2.948 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000341223401 545939473 /nfs/dbraw/zinc/93/94/73/545939473.db2.gz USTNMHQNTPHPLV-SECBINFHSA-N 1 2 335.310 2.823 20 5 EFBDLO O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000575047903 546358202 /nfs/dbraw/zinc/35/82/02/546358202.db2.gz FWUBIGXBSYEXHX-QWHCGFSZSA-N 1 2 332.335 2.791 20 5 EFBDLO CC[C@H](CCOC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000754577905 575456077 /nfs/dbraw/zinc/45/60/77/575456077.db2.gz TVRIWAZRYJFGRV-CYBMUJFWSA-N 1 2 333.344 2.752 20 5 EFBDLO C[N@H+](CC1CCCCC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755264186 575567321 /nfs/dbraw/zinc/56/73/21/575567321.db2.gz MRBLBMWWPKEIBS-UHFFFAOYSA-N 1 2 346.387 2.881 20 5 EFBDLO C[N@@H+](CC1CCCCC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755264186 575567325 /nfs/dbraw/zinc/56/73/25/575567325.db2.gz MRBLBMWWPKEIBS-UHFFFAOYSA-N 1 2 346.387 2.881 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000755398455 575582927 /nfs/dbraw/zinc/58/29/27/575582927.db2.gz QKPZNNNITABJRT-NSHDSACASA-N 1 2 331.401 2.515 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000755398452 575583107 /nfs/dbraw/zinc/58/31/07/575583107.db2.gz QKPZNNNITABJRT-LLVKDONJSA-N 1 2 331.401 2.515 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000755672269 575616546 /nfs/dbraw/zinc/61/65/46/575616546.db2.gz IKWPXAZWPPBOBW-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO CN(C)c1cc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000755886615 575649446 /nfs/dbraw/zinc/64/94/46/575649446.db2.gz LNJQWRGVAZRONA-YVMONPNESA-N 1 2 327.340 2.812 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(OC)cc(C)[nH+]2)c1 ZINC000757698150 575850359 /nfs/dbraw/zinc/85/03/59/575850359.db2.gz NMDBZNQUDFCQPJ-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759160590 575886042 /nfs/dbraw/zinc/88/60/42/575886042.db2.gz QROCMDSQEFBGMQ-INIZCTEOSA-N 1 2 340.387 2.781 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759160590 575886043 /nfs/dbraw/zinc/88/60/43/575886043.db2.gz QROCMDSQEFBGMQ-INIZCTEOSA-N 1 2 340.387 2.781 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761057294 576106749 /nfs/dbraw/zinc/10/67/49/576106749.db2.gz POKMOVLVMNHEMU-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761057294 576106754 /nfs/dbraw/zinc/10/67/54/576106754.db2.gz POKMOVLVMNHEMU-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)s1 ZINC000761478845 576168294 /nfs/dbraw/zinc/16/82/94/576168294.db2.gz XCJSXHSLZOWNET-UHFFFAOYSA-N 1 2 340.324 2.954 20 5 EFBDLO O=[N+]([O-])c1ccc(NC(=S)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000761838525 576218041 /nfs/dbraw/zinc/21/80/41/576218041.db2.gz NKSIVGKNXJMNII-UHFFFAOYSA-N 1 2 327.369 2.729 20 5 EFBDLO O=C(OC[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000762135861 576263559 /nfs/dbraw/zinc/26/35/59/576263559.db2.gz NJUHNJIVLXCEGW-LLVKDONJSA-N 1 2 333.369 2.690 20 5 EFBDLO C[C@H]1CC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000762165330 576268256 /nfs/dbraw/zinc/26/82/56/576268256.db2.gz IJXLXQYEKZSGLE-AAEUAGOBSA-N 1 2 331.328 2.505 20 5 EFBDLO C[C@@H]1CC[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000762165331 576268278 /nfs/dbraw/zinc/26/82/78/576268278.db2.gz IJXLXQYEKZSGLE-DGCLKSJQSA-N 1 2 331.328 2.505 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763330202 576372885 /nfs/dbraw/zinc/37/28/85/576372885.db2.gz AEPDZGGHLRGBHC-HNNXBMFYSA-N 1 2 340.383 2.508 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763330202 576372887 /nfs/dbraw/zinc/37/28/87/576372887.db2.gz AEPDZGGHLRGBHC-HNNXBMFYSA-N 1 2 340.383 2.508 20 5 EFBDLO CNc1c(C(=O)OCc2cn3cccc(C)c3[nH+]2)cccc1[N+](=O)[O-] ZINC000765520472 577050535 /nfs/dbraw/zinc/05/05/35/577050535.db2.gz ZHCUOURSQNASNX-UHFFFAOYSA-N 1 2 340.339 2.950 20 5 EFBDLO CNc1c(C(=O)OCc2cn3cc(C)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000765522390 577050947 /nfs/dbraw/zinc/05/09/47/577050947.db2.gz NRQIZNFZWWKIIW-UHFFFAOYSA-N 1 2 340.339 2.950 20 5 EFBDLO Cc1nn(C[N@H+](C)C[C@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000725781627 577223348 /nfs/dbraw/zinc/22/33/48/577223348.db2.gz CMHDYKJZBJFBTK-MRXNPFEDSA-N 1 2 330.388 2.611 20 5 EFBDLO Cc1nn(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000725781627 577223350 /nfs/dbraw/zinc/22/33/50/577223350.db2.gz CMHDYKJZBJFBTK-MRXNPFEDSA-N 1 2 330.388 2.611 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000725802337 577229492 /nfs/dbraw/zinc/22/94/92/577229492.db2.gz ZIZJQJIHBRCPHB-UHFFFAOYSA-N 1 2 335.404 2.895 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000725802337 577229493 /nfs/dbraw/zinc/22/94/93/577229493.db2.gz ZIZJQJIHBRCPHB-UHFFFAOYSA-N 1 2 335.404 2.895 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000768143259 577257336 /nfs/dbraw/zinc/25/73/36/577257336.db2.gz PBQTVERKCPGMAT-UKRRQHHQSA-N 1 2 342.399 2.838 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000768143260 577257353 /nfs/dbraw/zinc/25/73/53/577257353.db2.gz PBQTVERKCPGMAT-ZFWWWQNUSA-N 1 2 342.399 2.838 20 5 EFBDLO CCCC[N@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768140693 577257361 /nfs/dbraw/zinc/25/73/61/577257361.db2.gz UBHQBHHCHIKIPA-UHFFFAOYSA-N 1 2 331.210 2.952 20 5 EFBDLO CCCC[N@@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768140693 577257362 /nfs/dbraw/zinc/25/73/62/577257362.db2.gz UBHQBHHCHIKIPA-UHFFFAOYSA-N 1 2 331.210 2.952 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000768708030 577296410 /nfs/dbraw/zinc/29/64/10/577296410.db2.gz XNYBKQSUPUIYKN-NSHDSACASA-N 1 2 334.763 2.991 20 5 EFBDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768881530 577313537 /nfs/dbraw/zinc/31/35/37/577313537.db2.gz PCPXQAAKDGSKQI-VIFPVBQESA-N 1 2 345.193 2.598 20 5 EFBDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768881530 577313539 /nfs/dbraw/zinc/31/35/39/577313539.db2.gz PCPXQAAKDGSKQI-VIFPVBQESA-N 1 2 345.193 2.598 20 5 EFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769425045 577361664 /nfs/dbraw/zinc/36/16/64/577361664.db2.gz OBNIDUSUQMYHEY-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769425045 577361667 /nfs/dbraw/zinc/36/16/67/577361667.db2.gz OBNIDUSUQMYHEY-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO COc1cccc(C(=O)OCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000769601015 577374386 /nfs/dbraw/zinc/37/43/86/577374386.db2.gz AJDCNOOUSABFKW-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO C[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC12CCC2 ZINC000770669648 581123399 /nfs/dbraw/zinc/12/33/99/581123399.db2.gz IKKDLHWLDGZNGG-LBPRGKRZSA-N 1 2 343.383 2.660 20 5 EFBDLO C[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC12CCC2 ZINC000770669648 581123400 /nfs/dbraw/zinc/12/34/00/581123400.db2.gz IKKDLHWLDGZNGG-LBPRGKRZSA-N 1 2 343.383 2.660 20 5 EFBDLO Cc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000772664234 581353319 /nfs/dbraw/zinc/35/33/19/581353319.db2.gz ARDXVRSVTRXGQJ-UHFFFAOYSA-N 1 2 338.323 2.841 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851762764 1251256975 /nfs/dbraw/zinc/25/69/75/1251256975.db2.gz YEDPJGVXZLXYQX-CYBMUJFWSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851762764 1251256983 /nfs/dbraw/zinc/25/69/83/1251256983.db2.gz YEDPJGVXZLXYQX-CYBMUJFWSA-N 1 2 339.367 2.833 20 5 EFBDLO C[C@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000708266788 1251270908 /nfs/dbraw/zinc/27/09/08/1251270908.db2.gz UZAPRLCAPLJEIZ-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000708266788 1251270912 /nfs/dbraw/zinc/27/09/12/1251270912.db2.gz UZAPRLCAPLJEIZ-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000801813861 1254703095 /nfs/dbraw/zinc/70/30/95/1254703095.db2.gz WGJJUIBRFGRJOF-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000843827800 1265062014 /nfs/dbraw/zinc/06/20/14/1265062014.db2.gz XMNJGHTUWHBHMG-XHDPSFHLSA-N 1 2 346.362 2.962 20 5 EFBDLO CC[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@H](C)C(C)C ZINC000132730940 1267703355 /nfs/dbraw/zinc/70/33/55/1267703355.db2.gz XFRHEUAARMZMGQ-GFCCVEGCSA-N 1 2 334.376 2.735 20 5 EFBDLO CC[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@H](C)C(C)C ZINC000132730940 1267703360 /nfs/dbraw/zinc/70/33/60/1267703360.db2.gz XFRHEUAARMZMGQ-GFCCVEGCSA-N 1 2 334.376 2.735 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[NH+]1CCC2(CCCC2)CC1 ZINC000738282165 1268424746 /nfs/dbraw/zinc/42/47/46/1268424746.db2.gz BCAYMMTZOMYWSR-UHFFFAOYSA-N 1 2 343.383 2.805 20 5 EFBDLO C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000741028766 1269262976 /nfs/dbraw/zinc/26/29/76/1269262976.db2.gz IFBIKYCYVFTOMN-ZDUSSCGKSA-N 1 2 334.372 2.585 20 5 EFBDLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741244847 1269427810 /nfs/dbraw/zinc/42/78/10/1269427810.db2.gz KMMNJPXSJASVNF-AWEZNQCLSA-N 1 2 328.796 2.876 20 5 EFBDLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741244847 1269427811 /nfs/dbraw/zinc/42/78/11/1269427811.db2.gz KMMNJPXSJASVNF-AWEZNQCLSA-N 1 2 328.796 2.876 20 5 EFBDLO Nc1cc(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000791966988 1278492898 /nfs/dbraw/zinc/49/28/98/1278492898.db2.gz VYIRTLGSSPSNEV-UHFFFAOYSA-N 1 2 341.245 2.948 20 5 EFBDLO CC(C)OC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742147788 1269901486 /nfs/dbraw/zinc/90/14/86/1269901486.db2.gz MVALPXQNTLABBJ-UHFFFAOYSA-N 1 2 345.403 2.700 20 5 EFBDLO Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000742235393 1269946690 /nfs/dbraw/zinc/94/66/90/1269946690.db2.gz GRHVUMAGWMGGLN-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000742235393 1269946695 /nfs/dbraw/zinc/94/66/95/1269946695.db2.gz GRHVUMAGWMGGLN-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000742237633 1269950832 /nfs/dbraw/zinc/95/08/32/1269950832.db2.gz MYVBJYRPKJDNAH-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000742237633 1269950845 /nfs/dbraw/zinc/95/08/45/1269950845.db2.gz MYVBJYRPKJDNAH-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079681 1271312439 /nfs/dbraw/zinc/31/24/39/1271312439.db2.gz MLQRQFGPCLEPPK-HNNXBMFYSA-N 1 2 336.388 2.910 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079681 1271312447 /nfs/dbraw/zinc/31/24/47/1271312447.db2.gz MLQRQFGPCLEPPK-HNNXBMFYSA-N 1 2 336.388 2.910 20 5 EFBDLO Cc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000746321757 1272031326 /nfs/dbraw/zinc/03/13/26/1272031326.db2.gz TZACYACARVJMFO-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000746321757 1272031334 /nfs/dbraw/zinc/03/13/34/1272031334.db2.gz TZACYACARVJMFO-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958793 1272555421 /nfs/dbraw/zinc/55/54/21/1272555421.db2.gz PSTBZAIIKCOJKC-IKGGRYGDSA-N 1 2 348.443 2.974 20 5 EFBDLO O=[N+]([O-])c1cccc2cnc(NCCc3cn4ccccc4[nH+]3)nc21 ZINC001169005640 1272578335 /nfs/dbraw/zinc/57/83/35/1272578335.db2.gz WITYHUQHYQOHRN-UHFFFAOYSA-N 1 2 334.339 2.840 20 5 EFBDLO CCOc1cnc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC001169003269 1272578544 /nfs/dbraw/zinc/57/85/44/1272578544.db2.gz XHBJXCOAJVEWFO-UHFFFAOYSA-N 1 2 327.344 2.691 20 5 EFBDLO CC(=O)Nc1ccc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001169004767 1272579186 /nfs/dbraw/zinc/57/91/86/1272579186.db2.gz QWMUUTWTPKGTSJ-UHFFFAOYSA-N 1 2 339.355 2.856 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C1 ZINC001169056344 1272632502 /nfs/dbraw/zinc/63/25/02/1272632502.db2.gz SAADWIQIJNGEJE-KFWWJZLASA-N 1 2 331.407 2.627 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C1 ZINC001169056345 1272633203 /nfs/dbraw/zinc/63/32/03/1272633203.db2.gz SAADWIQIJNGEJE-QLFBSQMISA-N 1 2 331.407 2.627 20 5 EFBDLO Cc1cn(C[NH+]2CCC(C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103263574 1272967829 /nfs/dbraw/zinc/96/78/29/1272967829.db2.gz OYVZJBYLKACQIW-UHFFFAOYSA-N 1 2 330.388 2.545 20 5 EFBDLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747074738 1278780854 /nfs/dbraw/zinc/78/08/54/1278780854.db2.gz UAEOGEXABHPBGY-ZDUSSCGKSA-N 1 2 330.388 2.752 20 5 EFBDLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747074738 1278780866 /nfs/dbraw/zinc/78/08/66/1278780866.db2.gz UAEOGEXABHPBGY-ZDUSSCGKSA-N 1 2 330.388 2.752 20 5 EFBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCCn1cc[nH+]c1 ZINC001109470318 1274321580 /nfs/dbraw/zinc/32/15/80/1274321580.db2.gz RVCZBQXWMLLTRS-UHFFFAOYSA-N 1 2 345.403 2.532 20 5 EFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000785676092 1275142892 /nfs/dbraw/zinc/14/28/92/1275142892.db2.gz PKFICBMZEJALDP-UHFFFAOYSA-N 1 2 343.339 2.697 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746674319 1275748970 /nfs/dbraw/zinc/74/89/70/1275748970.db2.gz UMZOHXCLEBEXBF-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746674319 1275748976 /nfs/dbraw/zinc/74/89/76/1275748976.db2.gz UMZOHXCLEBEXBF-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297769 1278981253 /nfs/dbraw/zinc/98/12/53/1278981253.db2.gz RTHAKANFNZAMAR-WFASDCNBSA-N 1 2 338.404 2.712 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1F ZINC000788470246 1276186878 /nfs/dbraw/zinc/18/68/78/1276186878.db2.gz ORPJMAJDXDAVCF-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356127 1279036356 /nfs/dbraw/zinc/03/63/56/1279036356.db2.gz YFDZNDIRSVBLTQ-SYEQVDHESA-N 1 2 348.399 2.560 20 5 EFBDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170356127 1279036366 /nfs/dbraw/zinc/03/63/66/1279036366.db2.gz YFDZNDIRSVBLTQ-SYEQVDHESA-N 1 2 348.399 2.560 20 5 EFBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000789329687 1276661463 /nfs/dbraw/zinc/66/14/63/1276661463.db2.gz AHCFZQFUDZPLCL-UHFFFAOYSA-N 1 2 341.839 2.791 20 5 EFBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000789329687 1276661464 /nfs/dbraw/zinc/66/14/64/1276661464.db2.gz AHCFZQFUDZPLCL-UHFFFAOYSA-N 1 2 341.839 2.791 20 5 EFBDLO Cc1cc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1[NH+](C)C ZINC000819408004 1276752318 /nfs/dbraw/zinc/75/23/18/1276752318.db2.gz HCOVWTYHGQYGQD-INIZCTEOSA-N 1 2 345.399 2.821 20 5 EFBDLO NC(Cc1ccccc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590217 1276835822 /nfs/dbraw/zinc/83/58/22/1276835822.db2.gz UTQBPHDGEXZVDM-UHFFFAOYSA-N 1 2 330.300 2.744 20 5 EFBDLO COc1ccc(C[C@H](C)[N@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336175 1279026883 /nfs/dbraw/zinc/02/68/83/1279026883.db2.gz VHYFBUOXNIALDR-LBPRGKRZSA-N 1 2 338.404 2.808 20 5 EFBDLO COc1ccc(C[C@H](C)[N@@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336175 1279026896 /nfs/dbraw/zinc/02/68/96/1279026896.db2.gz VHYFBUOXNIALDR-LBPRGKRZSA-N 1 2 338.404 2.808 20 5 EFBDLO CC1(C)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000790939014 1277888013 /nfs/dbraw/zinc/88/80/13/1277888013.db2.gz YGBLKTISIYXUFT-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000790939014 1277888020 /nfs/dbraw/zinc/88/80/20/1277888020.db2.gz YGBLKTISIYXUFT-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO COCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792895735 1279249550 /nfs/dbraw/zinc/24/95/50/1279249550.db2.gz BIJOHCURKLZDLH-UHFFFAOYSA-N 1 2 329.194 2.752 20 5 EFBDLO COCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792895735 1279249560 /nfs/dbraw/zinc/24/95/60/1279249560.db2.gz BIJOHCURKLZDLH-UHFFFAOYSA-N 1 2 329.194 2.752 20 5 EFBDLO CC1(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)COC1 ZINC000792901254 1279254522 /nfs/dbraw/zinc/25/45/22/1279254522.db2.gz ZCSRMAAHQHAQCN-UHFFFAOYSA-N 1 2 341.205 2.752 20 5 EFBDLO CC1(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)COC1 ZINC000792901254 1279254526 /nfs/dbraw/zinc/25/45/26/1279254526.db2.gz ZCSRMAAHQHAQCN-UHFFFAOYSA-N 1 2 341.205 2.752 20 5 EFBDLO COC[C@@H](C)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000844879811 1279331466 /nfs/dbraw/zinc/33/14/66/1279331466.db2.gz LGHALMUPPVHRPB-NSHDSACASA-N 1 2 343.343 2.656 20 5 EFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1c[nH+]cn1C ZINC000793242572 1279470172 /nfs/dbraw/zinc/47/01/72/1279470172.db2.gz NGLXGGQDQZLVEE-NSHDSACASA-N 1 2 335.385 2.595 20 5 EFBDLO C[C@H](CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC000845284199 1279534188 /nfs/dbraw/zinc/53/41/88/1279534188.db2.gz LXUCNRUYBWZNPP-SECBINFHSA-N 1 2 325.271 2.764 20 5 EFBDLO COc1c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000793729772 1279848528 /nfs/dbraw/zinc/84/85/28/1279848528.db2.gz MQININXGWCGCOQ-UHFFFAOYSA-N 1 2 330.344 2.625 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000794292028 1280112445 /nfs/dbraw/zinc/11/24/45/1280112445.db2.gz IDVDOLOFADCKCD-UHFFFAOYSA-N 1 2 336.298 2.652 20 5 EFBDLO CO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234877499 1281337299 /nfs/dbraw/zinc/33/72/99/1281337299.db2.gz WLKALBFUBFOADB-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO CO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234877499 1281337310 /nfs/dbraw/zinc/33/73/10/1281337310.db2.gz WLKALBFUBFOADB-LLVKDONJSA-N 1 2 329.194 2.968 20 5 EFBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001175736223 1287533712 /nfs/dbraw/zinc/53/37/12/1287533712.db2.gz REAUHTKGCLZXRE-UHFFFAOYSA-N 1 2 332.335 2.834 20 5 EFBDLO Cc1nc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)co1 ZINC000809507971 1282255517 /nfs/dbraw/zinc/25/55/17/1282255517.db2.gz MGTUJTVZBCWHQS-UHFFFAOYSA-N 1 2 338.283 2.794 20 5 EFBDLO Cc1c(C[NH2+]Cc2ncc(C3OCCO3)s2)cccc1[N+](=O)[O-] ZINC000809652477 1282367921 /nfs/dbraw/zinc/36/79/21/1282367921.db2.gz VRFDQQISHFGOOI-UHFFFAOYSA-N 1 2 335.385 2.695 20 5 EFBDLO NC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809936328 1282622927 /nfs/dbraw/zinc/62/29/27/1282622927.db2.gz VUMSWBIVBODJIF-UHFFFAOYSA-N 1 2 346.214 2.989 20 5 EFBDLO O=[N+]([O-])/C=C/c1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001175901502 1287602271 /nfs/dbraw/zinc/60/22/71/1287602271.db2.gz RRSMVCWBZNCZFO-VQHVLOKHSA-N 1 2 326.356 2.909 20 5 EFBDLO COC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000811169263 1284061312 /nfs/dbraw/zinc/06/13/12/1284061312.db2.gz HKWTYAYPIBFPJR-UHFFFAOYSA-N 1 2 331.328 2.506 20 5 EFBDLO CC1(C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@H]1CCCO1 ZINC000811777000 1284593235 /nfs/dbraw/zinc/59/32/35/1284593235.db2.gz GSUYXAVEFFAPFN-HZPDHXFCSA-N 1 2 330.388 2.791 20 5 EFBDLO CC1(C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@H]1CCCO1 ZINC000811777000 1284593242 /nfs/dbraw/zinc/59/32/42/1284593242.db2.gz GSUYXAVEFFAPFN-HZPDHXFCSA-N 1 2 330.388 2.791 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCC1(F)F ZINC000811781004 1284596266 /nfs/dbraw/zinc/59/62/66/1284596266.db2.gz SOXZGRYSJURDNU-NSHDSACASA-N 1 2 337.330 2.788 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCC1(F)F ZINC000811781004 1284596273 /nfs/dbraw/zinc/59/62/73/1284596273.db2.gz SOXZGRYSJURDNU-NSHDSACASA-N 1 2 337.330 2.788 20 5 EFBDLO Cc1nn(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782930 1284598214 /nfs/dbraw/zinc/59/82/14/1284598214.db2.gz MPKMQBOPLPASFW-KRWDZBQOSA-N 1 2 328.372 2.527 20 5 EFBDLO Cc1nn(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782930 1284598223 /nfs/dbraw/zinc/59/82/23/1284598223.db2.gz MPKMQBOPLPASFW-KRWDZBQOSA-N 1 2 328.372 2.527 20 5 EFBDLO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000747829979 1285568259 /nfs/dbraw/zinc/56/82/59/1285568259.db2.gz ZTLNKWACSOTLCU-UHFFFAOYSA-N 1 2 349.318 2.798 20 5 EFBDLO Cc1noc(C)c1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173536 1285703516 /nfs/dbraw/zinc/70/35/16/1285703516.db2.gz DJEGEPYWDKFKCW-HNNXBMFYSA-N 1 2 345.355 2.631 20 5 EFBDLO Cc1noc(C)c1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173536 1285703520 /nfs/dbraw/zinc/70/35/20/1285703520.db2.gz DJEGEPYWDKFKCW-HNNXBMFYSA-N 1 2 345.355 2.631 20 5 EFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(F)c1 ZINC000813172356 1285703618 /nfs/dbraw/zinc/70/36/18/1285703618.db2.gz GEMIVBGUHPMOET-INIZCTEOSA-N 1 2 345.330 2.560 20 5 EFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(F)c1 ZINC000813172356 1285703621 /nfs/dbraw/zinc/70/36/21/1285703621.db2.gz GEMIVBGUHPMOET-INIZCTEOSA-N 1 2 345.330 2.560 20 5 EFBDLO CCc1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813172466 1285704152 /nfs/dbraw/zinc/70/41/52/1285704152.db2.gz IKOPWNZONIAMSH-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO CCc1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813172466 1285704160 /nfs/dbraw/zinc/70/41/60/1285704160.db2.gz IKOPWNZONIAMSH-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813409653 1285893298 /nfs/dbraw/zinc/89/32/98/1285893298.db2.gz IHMQQILGNCRXAA-QMMMGPOBSA-N 1 2 343.170 2.917 20 5 EFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813449460 1285914260 /nfs/dbraw/zinc/91/42/60/1285914260.db2.gz ZVRVSYUNXROCDB-UHFFFAOYSA-N 1 2 329.143 2.597 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@@H]2C2CC2)c1F ZINC001173194003 1286459594 /nfs/dbraw/zinc/45/95/94/1286459594.db2.gz WGMOOKKQASRKII-IAQYHMDHSA-N 1 2 338.379 2.784 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@@H]2C2CC2)c1F ZINC001173194003 1286459599 /nfs/dbraw/zinc/45/95/99/1286459599.db2.gz WGMOOKKQASRKII-IAQYHMDHSA-N 1 2 338.379 2.784 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001173232362 1286483259 /nfs/dbraw/zinc/48/32/59/1286483259.db2.gz FPNDUHSJIIUXGI-LBPRGKRZSA-N 1 2 331.338 2.706 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001173232359 1286483495 /nfs/dbraw/zinc/48/34/95/1286483495.db2.gz FPNDUHSJIIUXGI-GFCCVEGCSA-N 1 2 331.338 2.706 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233212 1286483866 /nfs/dbraw/zinc/48/38/66/1286483866.db2.gz JOPCXHNTSYZXIB-IGJVIKARSA-N 1 2 330.306 2.930 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233212 1286483872 /nfs/dbraw/zinc/48/38/72/1286483872.db2.gz JOPCXHNTSYZXIB-IGJVIKARSA-N 1 2 330.306 2.930 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001173233207 1286484355 /nfs/dbraw/zinc/48/43/55/1286484355.db2.gz JOPCXHNTSYZXIB-HBEIAFGSSA-N 1 2 330.306 2.930 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001173233207 1286484364 /nfs/dbraw/zinc/48/43/64/1286484364.db2.gz JOPCXHNTSYZXIB-HBEIAFGSSA-N 1 2 330.306 2.930 20 5 EFBDLO CO[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000816356039 1288076217 /nfs/dbraw/zinc/07/62/17/1288076217.db2.gz WGKDQEXHDCUXGH-HNNXBMFYSA-N 1 2 333.344 2.608 20 5 EFBDLO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC(OC(C)(C)C)C1 ZINC000817373654 1288566082 /nfs/dbraw/zinc/56/60/82/1288566082.db2.gz DXUYBMYZZZNKQO-UHFFFAOYSA-N 1 2 349.387 2.738 20 5 EFBDLO C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC(OC(C)(C)C)C1 ZINC000817373654 1288566086 /nfs/dbraw/zinc/56/60/86/1288566086.db2.gz DXUYBMYZZZNKQO-UHFFFAOYSA-N 1 2 349.387 2.738 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000873975376 1290147274 /nfs/dbraw/zinc/14/72/74/1290147274.db2.gz YMFDJYPVEPMNDE-UHFFFAOYSA-N 1 2 342.399 2.717 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000874254856 1290237772 /nfs/dbraw/zinc/23/77/72/1290237772.db2.gz IPZNCEFOKVEBSC-UHFFFAOYSA-N 1 2 328.372 2.955 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000247314710 1290275163 /nfs/dbraw/zinc/27/51/63/1290275163.db2.gz JUXASZBKXWQJRO-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO COC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000091861963 1290571717 /nfs/dbraw/zinc/57/17/17/1290571717.db2.gz CUMAUCOWUILIDU-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO COC[C@@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000091861963 1290571722 /nfs/dbraw/zinc/57/17/22/1290571722.db2.gz CUMAUCOWUILIDU-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000878096493 1291492166 /nfs/dbraw/zinc/49/21/66/1291492166.db2.gz RZDSZMQGKYFZSN-LBTNJELSSA-N 1 2 344.415 2.950 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000878096493 1291492169 /nfs/dbraw/zinc/49/21/69/1291492169.db2.gz RZDSZMQGKYFZSN-LBTNJELSSA-N 1 2 344.415 2.950 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796174725 1292321161 /nfs/dbraw/zinc/32/11/61/1292321161.db2.gz ZXOLIAXUTUYYEE-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796174725 1292321167 /nfs/dbraw/zinc/32/11/67/1292321167.db2.gz ZXOLIAXUTUYYEE-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO CC(C)(CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[N+](=O)[O-] ZINC000882871777 1293359448 /nfs/dbraw/zinc/35/94/48/1293359448.db2.gz OFQJQBXBZWSIFW-HNNXBMFYSA-N 1 2 330.388 2.576 20 5 EFBDLO CO[C@@H]1CC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000800033131 1293890067 /nfs/dbraw/zinc/89/00/67/1293890067.db2.gz BAZMPCRMMIXUEJ-CHWSQXEVSA-N 1 2 331.328 2.505 20 5 EFBDLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000928038578 1297065608 /nfs/dbraw/zinc/06/56/08/1297065608.db2.gz DQIPCMXJPSJKKK-RUZUBIRVSA-N 1 2 326.356 2.555 20 5 EFBDLO CCn1c[nH+]c2c1CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000933257916 1297482842 /nfs/dbraw/zinc/48/28/42/1297482842.db2.gz IBVXWAGYOHSULI-UHFFFAOYSA-N 1 2 334.351 2.517 20 5 EFBDLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000109628001 1299321361 /nfs/dbraw/zinc/32/13/61/1299321361.db2.gz YZRRQRGRAAXBRJ-UHFFFAOYSA-N 1 2 343.387 2.503 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1[N+](=O)[O-] ZINC000851898127 1299455452 /nfs/dbraw/zinc/45/54/52/1299455452.db2.gz NOPTXVUPKZBZTP-SNVBAGLBSA-N 1 2 346.343 2.699 20 5 EFBDLO Cc1nn(C[N@@H+]2CCc3ccc(C)cc3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853534261 1300153019 /nfs/dbraw/zinc/15/30/19/1300153019.db2.gz RGOZLPCAHMEWFK-UHFFFAOYSA-N 1 2 337.383 2.972 20 5 EFBDLO Cc1nn(C[N@H+]2CCc3ccc(C)cc3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853534261 1300153023 /nfs/dbraw/zinc/15/30/23/1300153023.db2.gz RGOZLPCAHMEWFK-UHFFFAOYSA-N 1 2 337.383 2.972 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860177150 1301731529 /nfs/dbraw/zinc/73/15/29/1301731529.db2.gz XJSOXSRFERVZDC-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860177150 1301731538 /nfs/dbraw/zinc/73/15/38/1301731538.db2.gz XJSOXSRFERVZDC-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO CCOc1cc(N2CC[NH+](C/C=C/Cl)CC2)ccc1[N+](=O)[O-] ZINC000796466104 1301960862 /nfs/dbraw/zinc/96/08/62/1301960862.db2.gz PPFYRPYTMDSRMJ-ZZXKWVIFSA-N 1 2 325.796 2.868 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)s1 ZINC000794625814 1302870257 /nfs/dbraw/zinc/87/02/57/1302870257.db2.gz BEULMJHRVWVEPO-UHFFFAOYSA-N 1 2 333.369 2.962 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)s1 ZINC000794625814 1302870272 /nfs/dbraw/zinc/87/02/72/1302870272.db2.gz BEULMJHRVWVEPO-UHFFFAOYSA-N 1 2 333.369 2.962 20 5 EFBDLO Cc1nn(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653017 1302902280 /nfs/dbraw/zinc/90/22/80/1302902280.db2.gz KXCNPKVWUFWFTI-PIGZYNQJSA-N 1 2 330.388 2.710 20 5 EFBDLO Cc1nn(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653017 1302902286 /nfs/dbraw/zinc/90/22/86/1302902286.db2.gz KXCNPKVWUFWFTI-PIGZYNQJSA-N 1 2 330.388 2.710 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C2CC2)O1 ZINC000794652683 1302903578 /nfs/dbraw/zinc/90/35/78/1302903578.db2.gz JKTQRLAYLJZDIF-FZKQIMNGSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C2CC2)O1 ZINC000794652683 1302903589 /nfs/dbraw/zinc/90/35/89/1302903589.db2.gz JKTQRLAYLJZDIF-FZKQIMNGSA-N 1 2 342.399 2.915 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000120848121 1303486763 /nfs/dbraw/zinc/48/67/63/1303486763.db2.gz BCACNMQYIDVWBC-OAHLLOKOSA-N 1 2 345.403 2.558 20 5 EFBDLO CC(C)CO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000120848121 1303486772 /nfs/dbraw/zinc/48/67/72/1303486772.db2.gz BCACNMQYIDVWBC-OAHLLOKOSA-N 1 2 345.403 2.558 20 5 EFBDLO CCOC(=O)/C(=C/c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cn1 ZINC000794948987 1303795037 /nfs/dbraw/zinc/79/50/37/1303795037.db2.gz KATGASPDSSZCKP-GXDHUFHOSA-N 1 2 338.323 2.741 20 5 EFBDLO CS[C@H]1C[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000870577014 1305409244 /nfs/dbraw/zinc/40/92/44/1305409244.db2.gz WTNBMNCLLLOLGI-TXEJJXNPSA-N 1 2 333.369 2.831 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796555446 1306354535 /nfs/dbraw/zinc/35/45/35/1306354535.db2.gz STHYBRNDUZZFRY-AWEZNQCLSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796555446 1306354545 /nfs/dbraw/zinc/35/45/45/1306354545.db2.gz STHYBRNDUZZFRY-AWEZNQCLSA-N 1 2 339.367 2.787 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000800865485 1308572601 /nfs/dbraw/zinc/57/26/01/1308572601.db2.gz DQCXGBNLOMKYEX-DLBZAZTESA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000800865485 1308572604 /nfs/dbraw/zinc/57/26/04/1308572604.db2.gz DQCXGBNLOMKYEX-DLBZAZTESA-N 1 2 331.416 2.818 20 5 EFBDLO Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(C)cc(C)[nH+]1 ZINC000901476022 1310546056 /nfs/dbraw/zinc/54/60/56/1310546056.db2.gz DBTVPTLWKWKUMD-UHFFFAOYSA-N 1 2 325.166 2.922 20 5 EFBDLO Cc1cc(CO[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc(C)[nH+]1 ZINC001223423325 1311259301 /nfs/dbraw/zinc/25/93/01/1311259301.db2.gz BMMAPIFZQYMEIK-QGZVFWFLSA-N 1 2 330.340 2.962 20 5 EFBDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491209 1311531468 /nfs/dbraw/zinc/53/14/68/1311531468.db2.gz NJIRJRQRQYQOMI-GXTWGEPZSA-N 1 2 329.356 2.910 20 5 EFBDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491209 1311531469 /nfs/dbraw/zinc/53/14/69/1311531469.db2.gz NJIRJRQRQYQOMI-GXTWGEPZSA-N 1 2 329.356 2.910 20 5 EFBDLO C[N@@H+]1CCO[C@@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973354 1311596131 /nfs/dbraw/zinc/59/61/31/1311596131.db2.gz QHMGXNDTNJFISO-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973354 1311596134 /nfs/dbraw/zinc/59/61/34/1311596134.db2.gz QHMGXNDTNJFISO-GOSISDBHSA-N 1 2 328.368 2.971 20 5 EFBDLO C[NH+](C)[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000780090761 1311610180 /nfs/dbraw/zinc/61/01/80/1311610180.db2.gz NZSZXXAYMUQFFO-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO [NH3+]Cc1nccnc1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001160249676 1311673159 /nfs/dbraw/zinc/67/31/59/1311673159.db2.gz BWWJMEUPXPHZFV-UHFFFAOYSA-N 1 2 340.318 2.788 20 5 EFBDLO C[C@@H](Oc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226710749 1311711183 /nfs/dbraw/zinc/71/11/83/1311711183.db2.gz UNTUZMVTOZZSGN-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226710749 1311711186 /nfs/dbraw/zinc/71/11/86/1311711186.db2.gz UNTUZMVTOZZSGN-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780092282 1311750556 /nfs/dbraw/zinc/75/05/56/1311750556.db2.gz UETHFHVSOVRSHK-KRWDZBQOSA-N 1 2 344.367 2.950 20 5 EFBDLO COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160683331 1311758434 /nfs/dbraw/zinc/75/84/34/1311758434.db2.gz LNMWNFITLXYEEU-JTQLQIEISA-N 1 2 342.359 2.831 20 5 EFBDLO Cc1cccn2c([C@H](C)Nc3c(C)c([N+](=O)[O-])cc[n+]3[O-])c[nH+]c12 ZINC001160686944 1311760042 /nfs/dbraw/zinc/76/00/42/1311760042.db2.gz UAVQXTVFUMKEFZ-LBPRGKRZSA-N 1 2 327.344 2.666 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)n1 ZINC001213025590 1311770266 /nfs/dbraw/zinc/77/02/66/1311770266.db2.gz IVQOFPJDUCZLMW-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[N@@H+]1CCC[C@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306682 1311791772 /nfs/dbraw/zinc/79/17/72/1311791772.db2.gz LSMKXNYXKAKZJS-NSHDSACASA-N 1 2 341.363 2.830 20 5 EFBDLO C[N@H+]1CCC[C@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306682 1311791775 /nfs/dbraw/zinc/79/17/75/1311791775.db2.gz LSMKXNYXKAKZJS-NSHDSACASA-N 1 2 341.363 2.830 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000802658202 1311892613 /nfs/dbraw/zinc/89/26/13/1311892613.db2.gz OCCGMKXMOUZRQT-UHFFFAOYSA-N 1 2 331.328 2.883 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000802658202 1311892617 /nfs/dbraw/zinc/89/26/17/1311892617.db2.gz OCCGMKXMOUZRQT-UHFFFAOYSA-N 1 2 331.328 2.883 20 5 EFBDLO O=C(CCC(F)F)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228307442 1311928141 /nfs/dbraw/zinc/92/81/41/1311928141.db2.gz AHGNEUIZYIERLO-UHFFFAOYSA-N 1 2 347.387 2.782 20 5 EFBDLO O=[N+]([O-])c1ccc(Oc2ncc(NCCCn3cc[nH+]c3)cn2)cc1 ZINC001161684427 1311950646 /nfs/dbraw/zinc/95/06/46/1311950646.db2.gz ABMAQSNGHKNJDV-UHFFFAOYSA-N 1 2 340.343 2.876 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000802784102 1312020358 /nfs/dbraw/zinc/02/03/58/1312020358.db2.gz IFGOCGKCELVDQN-UHFFFAOYSA-N 1 2 349.362 2.921 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972626 1312030108 /nfs/dbraw/zinc/03/01/08/1312030108.db2.gz AWVVZCGOKGXYHY-SJCJKPOMSA-N 1 2 344.367 2.905 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972626 1312030110 /nfs/dbraw/zinc/03/01/10/1312030110.db2.gz AWVVZCGOKGXYHY-SJCJKPOMSA-N 1 2 344.367 2.905 20 5 EFBDLO O=[N+]([O-])c1ccc(O)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229395343 1312088168 /nfs/dbraw/zinc/08/81/68/1312088168.db2.gz HFJAEECRKOZGJW-INIZCTEOSA-N 1 2 344.367 2.580 20 5 EFBDLO CC[N@@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229899813 1312156763 /nfs/dbraw/zinc/15/67/63/1312156763.db2.gz YQJMWMGLCREOJV-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO CC[N@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229899813 1312156765 /nfs/dbraw/zinc/15/67/65/1312156765.db2.gz YQJMWMGLCREOJV-SECBINFHSA-N 1 2 333.157 2.969 20 5 EFBDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001162877908 1312195400 /nfs/dbraw/zinc/19/54/00/1312195400.db2.gz UNKDFBVLZNOJJY-ZDUSSCGKSA-N 1 2 342.827 2.802 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000903066067 1312321067 /nfs/dbraw/zinc/32/10/67/1312321067.db2.gz SXKSBYAZIXTVSL-IAQYHMDHSA-N 1 2 333.392 2.780 20 5 EFBDLO C[N@@H+]1CCO[C@H](COc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230940962 1312397160 /nfs/dbraw/zinc/39/71/60/1312397160.db2.gz IHHGZBFZBQEXHP-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@H](COc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230940962 1312397164 /nfs/dbraw/zinc/39/71/64/1312397164.db2.gz IHHGZBFZBQEXHP-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO Cc1nc(OC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])cc1Br ZINC001231121492 1312437230 /nfs/dbraw/zinc/43/72/30/1312437230.db2.gz LNHSGXZIGRARQV-UHFFFAOYSA-N 1 2 344.209 2.922 20 5 EFBDLO CCC(=O)N1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219007 1312651486 /nfs/dbraw/zinc/65/14/86/1312651486.db2.gz KPQXQDJUBZJHRT-UHFFFAOYSA-N 1 2 334.423 2.837 20 5 EFBDLO COC(=O)N1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219560 1312651929 /nfs/dbraw/zinc/65/19/29/1312651929.db2.gz UEHNCFFXOOBMIV-UHFFFAOYSA-N 1 2 336.395 2.667 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1F ZINC000803461858 1312657590 /nfs/dbraw/zinc/65/75/90/1312657590.db2.gz ATAZOZCIOLPCKK-UHFFFAOYSA-N 1 2 333.319 2.860 20 5 EFBDLO CCOC(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c1 ZINC001211364534 1314485469 /nfs/dbraw/zinc/48/54/69/1314485469.db2.gz KXNAJTSSERAZHV-UHFFFAOYSA-N 1 2 330.344 2.976 20 5 EFBDLO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005400 1315131936 /nfs/dbraw/zinc/13/19/36/1315131936.db2.gz FMKAPZFVGSXIIL-SNVBAGLBSA-N 1 2 342.220 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218009205 1315132709 /nfs/dbraw/zinc/13/27/09/1315132709.db2.gz ZGZOVGNFBQMTGY-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[NH2+]1 ZINC001218178805 1315160054 /nfs/dbraw/zinc/16/00/54/1315160054.db2.gz UCANZCIRSSDIMH-IRXDYDNUSA-N 1 2 342.351 2.544 20 5 EFBDLO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218236764 1315168935 /nfs/dbraw/zinc/16/89/35/1315168935.db2.gz KMRXTYQXDJCSMD-LLVKDONJSA-N 1 2 345.302 2.786 20 5 EFBDLO C[N@H+](Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)Cc1ccccc1 ZINC001254167306 1315677859 /nfs/dbraw/zinc/67/78/59/1315677859.db2.gz NKQOVPCKJHLMDU-UHFFFAOYSA-N 1 2 339.355 2.513 20 5 EFBDLO C[N@@H+](Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)Cc1ccccc1 ZINC001254167306 1315677860 /nfs/dbraw/zinc/67/78/60/1315677860.db2.gz NKQOVPCKJHLMDU-UHFFFAOYSA-N 1 2 339.355 2.513 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001254560055 1315723361 /nfs/dbraw/zinc/72/33/61/1315723361.db2.gz OUXAYJQHJYXTSU-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001254560055 1315723362 /nfs/dbraw/zinc/72/33/62/1315723362.db2.gz OUXAYJQHJYXTSU-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC001254562481 1315723978 /nfs/dbraw/zinc/72/39/78/1315723978.db2.gz RPMJPHGYHOAPSE-MRXNPFEDSA-N 1 2 340.427 2.739 20 5 EFBDLO COC(=O)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254566101 1315725009 /nfs/dbraw/zinc/72/50/09/1315725009.db2.gz HSGSCLLESPEEPW-DOTOQJQBSA-N 1 2 332.400 2.774 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccccc3F)COC1)C2 ZINC001254575084 1315726458 /nfs/dbraw/zinc/72/64/58/1315726458.db2.gz NPWKWVBJYJTODV-CQSZACIVSA-N 1 2 328.343 2.716 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600768 1315729696 /nfs/dbraw/zinc/72/96/96/1315729696.db2.gz RIZBVYRFEFWVQY-JKSUJKDBSA-N 1 2 328.372 2.981 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600768 1315729700 /nfs/dbraw/zinc/72/97/00/1315729700.db2.gz RIZBVYRFEFWVQY-JKSUJKDBSA-N 1 2 328.372 2.981 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(Oc3ccc(F)cc3)C1)C2 ZINC001254602091 1315729735 /nfs/dbraw/zinc/72/97/35/1315729735.db2.gz AYSIRDJAIHIBMX-MRXNPFEDSA-N 1 2 328.343 2.964 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001254606860 1315730535 /nfs/dbraw/zinc/73/05/35/1315730535.db2.gz IRMKPYUQBCXTMQ-ZWKOTPCHSA-N 1 2 325.368 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCOC[C@@H]1c1cccnc1)C2 ZINC001254606860 1315730538 /nfs/dbraw/zinc/73/05/38/1315730538.db2.gz IRMKPYUQBCXTMQ-ZWKOTPCHSA-N 1 2 325.368 2.531 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039495836 1315843087 /nfs/dbraw/zinc/84/30/87/1315843087.db2.gz AWSJLTICOMXKHY-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039495836 1315843092 /nfs/dbraw/zinc/84/30/92/1315843092.db2.gz AWSJLTICOMXKHY-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001261277965 1316401116 /nfs/dbraw/zinc/40/11/16/1316401116.db2.gz RIKHBMJVQVHEDM-UHFFFAOYSA-N 1 2 348.353 2.633 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001318724607 1328677072 /nfs/dbraw/zinc/67/70/72/1328677072.db2.gz QLRCKBQRWOPOOP-UHFFFAOYSA-N 1 2 325.372 2.895 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC001318724607 1328677077 /nfs/dbraw/zinc/67/70/77/1328677077.db2.gz QLRCKBQRWOPOOP-UHFFFAOYSA-N 1 2 325.372 2.895 20 5 EFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001319279975 1328830297 /nfs/dbraw/zinc/83/02/97/1328830297.db2.gz DCJOIASQFJUTSH-LRDDRELGSA-N 1 2 343.387 2.556 20 5 EFBDLO Cc1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC001319905026 1329032760 /nfs/dbraw/zinc/03/27/60/1329032760.db2.gz WFEHXJAWHKUSND-UHFFFAOYSA-N 1 2 348.378 2.738 20 5 EFBDLO Cc1cc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC001319905026 1329032771 /nfs/dbraw/zinc/03/27/71/1329032771.db2.gz WFEHXJAWHKUSND-UHFFFAOYSA-N 1 2 348.378 2.738 20 5 EFBDLO C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC001320958550 1329325101 /nfs/dbraw/zinc/32/51/01/1329325101.db2.gz FWDNVBDHSHKRFU-SECBINFHSA-N 1 2 342.277 2.688 20 5 EFBDLO CCCCNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc(N)[nH+]1 ZINC001323134557 1329515282 /nfs/dbraw/zinc/51/52/82/1329515282.db2.gz BJGSUHUYOLTWDM-UHFFFAOYSA-N 1 2 328.376 2.699 20 5 EFBDLO CCCCNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)[nH+]c(N)n1 ZINC001323134557 1329515283 /nfs/dbraw/zinc/51/52/83/1329515283.db2.gz BJGSUHUYOLTWDM-UHFFFAOYSA-N 1 2 328.376 2.699 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149760 1329603558 /nfs/dbraw/zinc/60/35/58/1329603558.db2.gz DUTMRJQWLYAWDP-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149760 1329603560 /nfs/dbraw/zinc/60/35/60/1329603560.db2.gz DUTMRJQWLYAWDP-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCCn3cc[nH+]c3)c2c1 ZINC001327266040 1330448752 /nfs/dbraw/zinc/44/87/52/1330448752.db2.gz ACOHKVAJHLHAAN-UHFFFAOYSA-N 1 2 332.751 2.890 20 5 EFBDLO CN(CCCn1cc[nH+]c1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001333709490 1331198489 /nfs/dbraw/zinc/19/84/89/1331198489.db2.gz MWYCBNOKFNOTEK-UHFFFAOYSA-N 1 2 346.778 2.914 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810031 1331310123 /nfs/dbraw/zinc/31/01/23/1331310123.db2.gz XOSABPABRZCFMS-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810031 1331310130 /nfs/dbraw/zinc/31/01/30/1331310130.db2.gz XOSABPABRZCFMS-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001335644963 1331386355 /nfs/dbraw/zinc/38/63/55/1331386355.db2.gz OHGNXHHSARBJNH-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001335644963 1331386358 /nfs/dbraw/zinc/38/63/58/1331386358.db2.gz OHGNXHHSARBJNH-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1cnn(C)c1 ZINC001335781845 1331401890 /nfs/dbraw/zinc/40/18/90/1331401890.db2.gz VEGIOENNCXHLGX-VIFPVBQESA-N 1 2 339.193 2.942 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001344799846 1332483563 /nfs/dbraw/zinc/48/35/63/1332483563.db2.gz UVQXKRVDRFBGPO-UHFFFAOYSA-N 1 2 345.355 2.536 20 5 EFBDLO COCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001344824622 1332485667 /nfs/dbraw/zinc/48/56/67/1332485667.db2.gz IICNGRAQODZKDN-GFCCVEGCSA-N 1 2 333.344 2.752 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001347484179 1332749794 /nfs/dbraw/zinc/74/97/94/1332749794.db2.gz ODVVRWGAFYRFDD-LBPRGKRZSA-N 1 2 345.359 2.669 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001348636989 1332855169 /nfs/dbraw/zinc/85/51/69/1332855169.db2.gz BCXCYZWKBZJNHC-HOTGVXAUSA-N 1 2 329.356 2.608 20 5 EFBDLO COc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC001349860496 1333005822 /nfs/dbraw/zinc/00/58/22/1333005822.db2.gz VJWQRQBLDBPXQP-UHFFFAOYSA-N 1 2 345.359 2.669 20 5 EFBDLO CCc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001355208986 1334718082 /nfs/dbraw/zinc/71/80/82/1334718082.db2.gz DEOWCGFZUKMSQX-UHFFFAOYSA-N 1 2 342.399 2.911 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001356510015 1335046208 /nfs/dbraw/zinc/04/62/08/1335046208.db2.gz AHBFRZBUSUDFBG-QMTHXVAHSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001356510015 1335046212 /nfs/dbraw/zinc/04/62/12/1335046212.db2.gz AHBFRZBUSUDFBG-QMTHXVAHSA-N 1 2 346.353 2.660 20 5 EFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000804797250 713472439 /nfs/dbraw/zinc/47/24/39/713472439.db2.gz LWVYABMZFLLBRY-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000804797250 713472442 /nfs/dbraw/zinc/47/24/42/713472442.db2.gz LWVYABMZFLLBRY-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804808613 713477009 /nfs/dbraw/zinc/47/70/09/713477009.db2.gz KGDFVBSLBXDUDU-AAEUAGOBSA-N 1 2 348.428 2.504 20 5 EFBDLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526964 714451117 /nfs/dbraw/zinc/45/11/17/714451117.db2.gz LIAVNXGQUGCECW-CMPLNLGQSA-N 1 2 349.284 2.548 20 5 EFBDLO C[N@H+]1CCC[C@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526964 714451118 /nfs/dbraw/zinc/45/11/18/714451118.db2.gz LIAVNXGQUGCECW-CMPLNLGQSA-N 1 2 349.284 2.548 20 5 EFBDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526967 714451448 /nfs/dbraw/zinc/45/14/48/714451448.db2.gz LIAVNXGQUGCECW-ZYHUDNBSSA-N 1 2 349.284 2.548 20 5 EFBDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526967 714451450 /nfs/dbraw/zinc/45/14/50/714451450.db2.gz LIAVNXGQUGCECW-ZYHUDNBSSA-N 1 2 349.284 2.548 20 5 EFBDLO CC(C)C[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000072916907 717994437 /nfs/dbraw/zinc/99/44/37/717994437.db2.gz PHLBSEBTERAPAR-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)C[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000072916907 717994442 /nfs/dbraw/zinc/99/44/42/717994442.db2.gz PHLBSEBTERAPAR-GFCCVEGCSA-N 1 2 331.372 2.516 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000065969072 718001113 /nfs/dbraw/zinc/00/11/13/718001113.db2.gz GOPXMMUDIPRVTH-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891472759 714771717 /nfs/dbraw/zinc/77/17/17/714771717.db2.gz YLNWFWUHWLPANK-UHFFFAOYSA-N 1 2 341.415 2.839 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543652 714839107 /nfs/dbraw/zinc/83/91/07/714839107.db2.gz IEJUJPBTIRGITO-GUYCJALGSA-N 1 2 330.388 2.771 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543652 714839110 /nfs/dbraw/zinc/83/91/10/714839110.db2.gz IEJUJPBTIRGITO-GUYCJALGSA-N 1 2 330.388 2.771 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000235668472 715974782 /nfs/dbraw/zinc/97/47/82/715974782.db2.gz RBXUXFWBSMBGAT-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000235668472 715974777 /nfs/dbraw/zinc/97/47/77/715974777.db2.gz RBXUXFWBSMBGAT-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000235371003 717341775 /nfs/dbraw/zinc/34/17/75/717341775.db2.gz RBXUXFWBSMBGAT-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000235371003 717341780 /nfs/dbraw/zinc/34/17/80/717341780.db2.gz RBXUXFWBSMBGAT-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000980666082 717566839 /nfs/dbraw/zinc/56/68/39/717566839.db2.gz XKECINDVGNAPOW-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000980666082 717566843 /nfs/dbraw/zinc/56/68/43/717566843.db2.gz XKECINDVGNAPOW-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892668288 718411884 /nfs/dbraw/zinc/41/18/84/718411884.db2.gz FUFQJDLTLOFOFI-STQMWFEESA-N 1 2 337.420 2.519 20 5 EFBDLO Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000866896565 718505295 /nfs/dbraw/zinc/50/52/95/718505295.db2.gz WXSCFAFGAJSOSK-UHFFFAOYSA-N 1 2 332.335 2.685 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)c1ccsc1 ZINC001025666603 719290893 /nfs/dbraw/zinc/29/08/93/719290893.db2.gz KQAJIEDWGKVLSU-IMRBUKKESA-N 1 2 349.437 2.578 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)c1ccsc1 ZINC001025666603 719290896 /nfs/dbraw/zinc/29/08/96/719290896.db2.gz KQAJIEDWGKVLSU-IMRBUKKESA-N 1 2 349.437 2.578 20 5 EFBDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893295566 720485137 /nfs/dbraw/zinc/48/51/37/720485137.db2.gz LSCBSAYBEPPATC-UHFFFAOYSA-N 1 2 338.795 2.843 20 5 EFBDLO CC(C)[C@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140744054 722706581 /nfs/dbraw/zinc/70/65/81/722706581.db2.gz DOOALYIBECZVIZ-QGZVFWFLSA-N 1 2 342.399 2.896 20 5 EFBDLO CC(C)[C@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140744054 722706583 /nfs/dbraw/zinc/70/65/83/722706583.db2.gz DOOALYIBECZVIZ-QGZVFWFLSA-N 1 2 342.399 2.896 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535147 722774842 /nfs/dbraw/zinc/77/48/42/722774842.db2.gz IGEQUUOCWNBXIJ-XJKSGUPXSA-N 1 2 336.388 2.698 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894535147 722774843 /nfs/dbraw/zinc/77/48/43/722774843.db2.gz IGEQUUOCWNBXIJ-XJKSGUPXSA-N 1 2 336.388 2.698 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029184630 723021262 /nfs/dbraw/zinc/02/12/62/723021262.db2.gz XYLZMJUOUGRJGB-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029184630 723021263 /nfs/dbraw/zinc/02/12/63/723021263.db2.gz XYLZMJUOUGRJGB-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029184784 723021406 /nfs/dbraw/zinc/02/14/06/723021406.db2.gz OIPKBWVYUPSMMH-OKILXGFUSA-N 1 2 335.379 2.518 20 5 EFBDLO CC(C)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029184784 723021409 /nfs/dbraw/zinc/02/14/09/723021409.db2.gz OIPKBWVYUPSMMH-OKILXGFUSA-N 1 2 335.379 2.518 20 5 EFBDLO O=C(c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029190592 723039522 /nfs/dbraw/zinc/03/95/22/723039522.db2.gz HDCQZYGTUJADPK-IYBDPMFKSA-N 1 2 341.367 2.677 20 5 EFBDLO O=C(c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029190592 723039523 /nfs/dbraw/zinc/03/95/23/723039523.db2.gz HDCQZYGTUJADPK-IYBDPMFKSA-N 1 2 341.367 2.677 20 5 EFBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727769848 723115329 /nfs/dbraw/zinc/11/53/29/723115329.db2.gz HWJPNUSTHHTVDB-UHFFFAOYSA-N 1 2 335.751 2.877 20 5 EFBDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029255133 723184583 /nfs/dbraw/zinc/18/45/83/723184583.db2.gz HJSDAWRGFDTLGM-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029255133 723184586 /nfs/dbraw/zinc/18/45/86/723184586.db2.gz HJSDAWRGFDTLGM-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)c1C ZINC000896341260 723259511 /nfs/dbraw/zinc/25/95/11/723259511.db2.gz VVXAVWKHUWCWKR-UHFFFAOYSA-N 1 2 328.372 2.839 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001029424937 724036459 /nfs/dbraw/zinc/03/64/59/724036459.db2.gz NCWBRXMYWXSALT-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001029424937 724036464 /nfs/dbraw/zinc/03/64/64/724036464.db2.gz NCWBRXMYWXSALT-IYBDPMFKSA-N 1 2 343.427 2.960 20 5 EFBDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000727491785 724078802 /nfs/dbraw/zinc/07/88/02/724078802.db2.gz OIHJNDHYMXOMRP-HNNXBMFYSA-N 1 2 330.388 2.944 20 5 EFBDLO COc1ccc(F)c(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000895508978 724174498 /nfs/dbraw/zinc/17/44/98/724174498.db2.gz ODTISMTZSSJENX-UHFFFAOYSA-N 1 2 336.319 2.747 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000729339422 726316422 /nfs/dbraw/zinc/31/64/22/726316422.db2.gz XPXJGPKCGOITJU-AWEZNQCLSA-N 1 2 334.351 2.775 20 5 EFBDLO Cc1cc(C)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)[nH+]1 ZINC000907802366 727014253 /nfs/dbraw/zinc/01/42/53/727014253.db2.gz PWQOSRQGALUAHD-UHFFFAOYSA-N 1 2 343.387 2.589 20 5 EFBDLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969354 727295489 /nfs/dbraw/zinc/29/54/89/727295489.db2.gz SETXCLQPUUBLDJ-OAHLLOKOSA-N 1 2 340.383 2.808 20 5 EFBDLO CN(C)c1cc(COC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000910028050 727404511 /nfs/dbraw/zinc/40/45/11/727404511.db2.gz PFSINOPGYLXOPN-HOTGVXAUSA-N 1 2 341.367 2.903 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000788050808 727587182 /nfs/dbraw/zinc/58/71/82/727587182.db2.gz VVMUNVRMKKELMH-UHFFFAOYSA-N 1 2 328.328 2.599 20 5 EFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652150 727732784 /nfs/dbraw/zinc/73/27/84/727732784.db2.gz ADAVVVHLELVHGM-AWEZNQCLSA-N 1 2 340.383 2.723 20 5 EFBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173511535 728628604 /nfs/dbraw/zinc/62/86/04/728628604.db2.gz KRZVEFYIMCCKEJ-ZDUSSCGKSA-N 1 2 333.417 2.638 20 5 EFBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173511535 728628607 /nfs/dbraw/zinc/62/86/07/728628607.db2.gz KRZVEFYIMCCKEJ-ZDUSSCGKSA-N 1 2 333.417 2.638 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC001578496388 1090387323 /nfs/dbraw/zinc/38/73/23/1090387323.db2.gz FYNYUZNHRBPEHQ-OAHLLOKOSA-N 1 2 335.310 2.531 20 5 EFBDLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001579486900 1090621810 /nfs/dbraw/zinc/62/18/10/1090621810.db2.gz NOJDOUNBLOYSHC-MEDUHNTESA-N 1 2 348.330 2.572 20 5 EFBDLO Cc1cc[nH+]c(NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC001581281662 1091111999 /nfs/dbraw/zinc/11/19/99/1091111999.db2.gz OAHBVTYFNWWEIX-LLVKDONJSA-N 1 2 339.359 2.694 20 5 EFBDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609142448 1098166649 /nfs/dbraw/zinc/16/66/49/1098166649.db2.gz ZPHAAMJGEZQHQL-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 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336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444734562 250338249 /nfs/dbraw/zinc/33/82/49/250338249.db2.gz NNVISRCGDXHSEC-RNCFNFMXSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](C2CC2)C1 ZINC000447799744 250609470 /nfs/dbraw/zinc/60/94/70/250609470.db2.gz LOXMFXFCTCBPLX-MRXNPFEDSA-N 1 2 331.416 2.663 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)cc1[N+](=O)[O-] ZINC000267472300 251088117 /nfs/dbraw/zinc/08/81/17/251088117.db2.gz YFUIOGKGRHXJSX-UHFFFAOYSA-N 1 2 348.428 2.691 20 5 EFBDLO COC(C)(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449951330 251210388 /nfs/dbraw/zinc/21/03/88/251210388.db2.gz SXNXPNQBJAGFHI-GFCCVEGCSA-N 1 2 346.387 2.714 20 5 EFBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000450009987 251230751 /nfs/dbraw/zinc/23/07/51/251230751.db2.gz IEDLOWXZNQGDNE-OAHLLOKOSA-N 1 2 346.387 2.571 20 5 EFBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000449997774 251226525 /nfs/dbraw/zinc/22/65/25/251226525.db2.gz VFFWQEBCKDRKDS-ZDUSSCGKSA-N 1 2 346.412 2.748 20 5 EFBDLO O=C(NCCCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450004462 251227860 /nfs/dbraw/zinc/22/78/60/251227860.db2.gz REPYEVKYTAUBNV-UHFFFAOYSA-N 1 2 342.277 2.853 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCC2)C1 ZINC000450100217 251259961 /nfs/dbraw/zinc/25/99/61/251259961.db2.gz JMUDXMDVBYLUKO-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000451114730 251449670 /nfs/dbraw/zinc/44/96/70/251449670.db2.gz FAZNHYWRQBQOBY-CQSZACIVSA-N 1 2 346.387 2.571 20 5 EFBDLO C[C@@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451359700 251537696 /nfs/dbraw/zinc/53/76/96/251537696.db2.gz DFCZGYMSVFLOKH-OLZOCXBDSA-N 1 2 328.372 2.947 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454129670 252150092 /nfs/dbraw/zinc/15/00/92/252150092.db2.gz GGZANZVXNNWCCI-JOYOIKCWSA-N 1 2 331.332 2.627 20 5 EFBDLO C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229051 224077402 /nfs/dbraw/zinc/07/74/02/224077402.db2.gz HWHUGXPDSVPWBB-CQSZACIVSA-N 1 2 331.416 2.960 20 5 EFBDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229051 224077403 /nfs/dbraw/zinc/07/74/03/224077403.db2.gz HWHUGXPDSVPWBB-CQSZACIVSA-N 1 2 331.416 2.960 20 5 EFBDLO COc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000454293361 252204331 /nfs/dbraw/zinc/20/43/31/252204331.db2.gz BTFBLWNOFIRBHW-UHFFFAOYSA-N 1 2 344.371 2.615 20 5 EFBDLO Cc1cc(N2CCO[C@@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268800504 252253216 /nfs/dbraw/zinc/25/32/16/252253216.db2.gz JGBLIIGWZMTXTQ-OLZOCXBDSA-N 1 2 328.372 2.974 20 5 EFBDLO C[C@@H](N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178243408 533010570 /nfs/dbraw/zinc/01/05/70/533010570.db2.gz CSSARIAVTDHDFV-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174013574 285088714 /nfs/dbraw/zinc/08/87/14/285088714.db2.gz UNLLTSACSXLDOI-HNNXBMFYSA-N 1 2 339.823 2.545 20 5 EFBDLO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413899 285098248 /nfs/dbraw/zinc/09/82/48/285098248.db2.gz SYGIJEYFDGUEEU-ZDUSSCGKSA-N 1 2 328.434 2.548 20 5 EFBDLO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413899 285098251 /nfs/dbraw/zinc/09/82/51/285098251.db2.gz SYGIJEYFDGUEEU-ZDUSSCGKSA-N 1 2 328.434 2.548 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132841880 533138688 /nfs/dbraw/zinc/13/86/88/533138688.db2.gz WWQDEJPRPBAKGA-UHFFFAOYSA-N 1 2 347.396 2.662 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132841880 533138696 /nfs/dbraw/zinc/13/86/96/533138696.db2.gz WWQDEJPRPBAKGA-UHFFFAOYSA-N 1 2 347.396 2.662 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154328373 224238466 /nfs/dbraw/zinc/23/84/66/224238466.db2.gz ORKXOGBXTXTGCP-HOTGVXAUSA-N 1 2 332.356 2.603 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154328373 224238469 /nfs/dbraw/zinc/23/84/69/224238469.db2.gz ORKXOGBXTXTGCP-HOTGVXAUSA-N 1 2 332.356 2.603 20 5 EFBDLO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000117985397 221104795 /nfs/dbraw/zinc/10/47/95/221104795.db2.gz RGCNCAYOPBGQHT-UHFFFAOYSA-N 1 2 349.431 2.885 20 5 EFBDLO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000117985397 221104797 /nfs/dbraw/zinc/10/47/97/221104797.db2.gz RGCNCAYOPBGQHT-UHFFFAOYSA-N 1 2 349.431 2.885 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000364039979 296519830 /nfs/dbraw/zinc/51/98/30/296519830.db2.gz YNBVXBLHKYNGBP-SNVBAGLBSA-N 1 2 338.165 2.817 20 5 EFBDLO CCNc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000344606847 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EFBDLO C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1n1cc[nH+]c1 ZINC000347456605 142219926 /nfs/dbraw/zinc/21/99/26/142219926.db2.gz WQRPUKUXDVYIGU-DOMZBBRYSA-N 1 2 338.371 2.822 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347937319 142296004 /nfs/dbraw/zinc/29/60/04/142296004.db2.gz OLCJCTHZSNABMB-HNNXBMFYSA-N 1 2 339.355 2.636 20 5 EFBDLO C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347998735 142306081 /nfs/dbraw/zinc/30/60/81/142306081.db2.gz IZJAIRKNISPJLJ-RYUDHWBXSA-N 1 2 346.362 2.587 20 5 EFBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccncc1 ZINC000348067652 142316264 /nfs/dbraw/zinc/31/62/64/142316264.db2.gz DMRJTRBGIQLOQT-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccncc1 ZINC000348067652 142316265 /nfs/dbraw/zinc/31/62/65/142316265.db2.gz DMRJTRBGIQLOQT-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCc1cn2ccccc2[nH+]1 ZINC000352361026 142472664 /nfs/dbraw/zinc/47/26/64/142472664.db2.gz PRYHTKCAVPTECS-UHFFFAOYSA-N 1 2 333.351 2.867 20 5 EFBDLO CCc1ccc([C@@H]([NH2+]Cc2cnnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000352587637 142514160 /nfs/dbraw/zinc/51/41/60/142514160.db2.gz CKAXVGQEWJVDMY-KRWDZBQOSA-N 1 2 341.371 2.758 20 5 EFBDLO Cc1cc(N[C@H]2CCO[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340567906 144891253 /nfs/dbraw/zinc/89/12/53/144891253.db2.gz CMJBVRPLHBAIQL-DOTOQJQBSA-N 1 2 340.383 2.762 20 5 EFBDLO CN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000342393905 145115811 /nfs/dbraw/zinc/11/58/11/145115811.db2.gz FSMUXGQFGCRKKS-GOSISDBHSA-N 1 2 341.411 2.962 20 5 EFBDLO CN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000342393905 145115814 /nfs/dbraw/zinc/11/58/14/145115814.db2.gz FSMUXGQFGCRKKS-GOSISDBHSA-N 1 2 341.411 2.962 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000342394635 145116437 /nfs/dbraw/zinc/11/64/37/145116437.db2.gz LNFBLSTZGOMWFR-UHFFFAOYSA-N 1 2 334.401 2.759 20 5 EFBDLO O=C(NC[C@@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342631002 145162607 /nfs/dbraw/zinc/16/26/07/145162607.db2.gz BUCAARQJAPQHLJ-ZDUSSCGKSA-N 1 2 346.412 2.796 20 5 EFBDLO CC(=O)c1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000342681874 145171646 /nfs/dbraw/zinc/17/16/46/145171646.db2.gz MBRAIFQJNHGKJY-OAHLLOKOSA-N 1 2 327.340 2.850 20 5 EFBDLO Cc1ccoc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343587390 145246196 /nfs/dbraw/zinc/24/61/96/145246196.db2.gz RWGQPFAGJUBCLT-UHFFFAOYSA-N 1 2 326.312 2.612 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000343829463 145303803 /nfs/dbraw/zinc/30/38/03/145303803.db2.gz ILGMHVQTQXXOCN-AWEZNQCLSA-N 1 2 326.356 2.653 20 5 EFBDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344066001 145359920 /nfs/dbraw/zinc/35/99/20/145359920.db2.gz HEFCJUQIGOHASX-UHFFFAOYSA-N 1 2 342.399 2.731 20 5 EFBDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344066001 145359922 /nfs/dbraw/zinc/35/99/22/145359922.db2.gz HEFCJUQIGOHASX-UHFFFAOYSA-N 1 2 342.399 2.731 20 5 EFBDLO Cn1c[nH+]c2cc(Nc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])ccc21 ZINC000345159190 145475811 /nfs/dbraw/zinc/47/58/11/145475811.db2.gz GHCMALQYFONYRR-UHFFFAOYSA-N 1 2 346.368 2.629 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000351026652 146107576 /nfs/dbraw/zinc/10/75/76/146107576.db2.gz POWHKYMWOVHUNX-GXTWGEPZSA-N 1 2 348.334 2.710 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000351026652 146107578 /nfs/dbraw/zinc/10/75/78/146107578.db2.gz POWHKYMWOVHUNX-GXTWGEPZSA-N 1 2 348.334 2.710 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351604484 146157170 /nfs/dbraw/zinc/15/71/70/146157170.db2.gz FBFOSMWSCZZYIE-ZDUSSCGKSA-N 1 2 346.318 2.814 20 5 EFBDLO CN(C)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000351648781 146168577 /nfs/dbraw/zinc/16/85/77/146168577.db2.gz HFLXRBHWIBNEDF-UHFFFAOYSA-N 1 2 333.323 2.517 20 5 EFBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008884 146263314 /nfs/dbraw/zinc/26/33/14/146263314.db2.gz SACDTDVIYOFWFI-RISCZKNCSA-N 1 2 339.342 2.677 20 5 EFBDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008884 146263317 /nfs/dbraw/zinc/26/33/17/146263317.db2.gz SACDTDVIYOFWFI-RISCZKNCSA-N 1 2 339.342 2.677 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccn2cc[nH+]c2c1 ZINC000355294843 146914369 /nfs/dbraw/zinc/91/43/69/146914369.db2.gz XAPXJOOLJLIKCW-UHFFFAOYSA-N 1 2 335.323 2.905 20 5 EFBDLO O=[N+]([O-])c1ccccc1Cc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000355691385 147035947 /nfs/dbraw/zinc/03/59/47/147035947.db2.gz UDTXMVOFZAIXKG-UHFFFAOYSA-N 1 2 335.323 2.807 20 5 EFBDLO O=[N+]([O-])c1c[nH]c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000355977281 147113669 /nfs/dbraw/zinc/11/36/69/147113669.db2.gz BYKVFBJUEYJSDQ-UHFFFAOYSA-N 1 2 336.311 2.885 20 5 EFBDLO Cc1ccc(Cc2noc(CNc3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356117290 147151010 /nfs/dbraw/zinc/15/10/10/147151010.db2.gz WFPUPFLISOTMFE-UHFFFAOYSA-N 1 2 325.328 2.884 20 5 EFBDLO Cc1ccc(Cc2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)c[nH+]1 ZINC000356119401 147152055 /nfs/dbraw/zinc/15/20/55/147152055.db2.gz ZHUWYJKIKOKMGF-UHFFFAOYSA-N 1 2 340.295 2.668 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000359512336 148105402 /nfs/dbraw/zinc/10/54/02/148105402.db2.gz MKBRFBRDNXEJQC-UHFFFAOYSA-N 1 2 326.360 2.917 20 5 EFBDLO Cc1cc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664353 148155940 /nfs/dbraw/zinc/15/59/40/148155940.db2.gz XNXSUOXYEPCOPM-GOEBONIOSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664353 148155943 /nfs/dbraw/zinc/15/59/43/148155943.db2.gz XNXSUOXYEPCOPM-GOEBONIOSA-N 1 2 347.394 2.661 20 5 EFBDLO CCOc1cc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000360008546 148248332 /nfs/dbraw/zinc/24/83/32/148248332.db2.gz XGTRVDNHWHYAOT-HNNXBMFYSA-N 1 2 345.403 2.600 20 5 EFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000360009240 148248839 /nfs/dbraw/zinc/24/88/39/148248839.db2.gz BJKFFOBLAYGCTL-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000360089652 148268160 /nfs/dbraw/zinc/26/81/60/148268160.db2.gz RYFQMPAGTKLVNR-HNNXBMFYSA-N 1 2 349.337 2.906 20 5 EFBDLO Cc1nc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000360535078 148387180 /nfs/dbraw/zinc/38/71/80/148387180.db2.gz NRVYCVVIRAZFNY-UHFFFAOYSA-N 1 2 341.293 2.658 20 5 EFBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364373473 149139089 /nfs/dbraw/zinc/13/90/89/149139089.db2.gz GQEQNULDCCJCFC-SNAWJCMRSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364373473 149139090 /nfs/dbraw/zinc/13/90/90/149139090.db2.gz GQEQNULDCCJCFC-SNAWJCMRSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000364796987 149245986 /nfs/dbraw/zinc/24/59/86/149245986.db2.gz ISDVFFJNUGZTDL-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368409656 150113187 /nfs/dbraw/zinc/11/31/87/150113187.db2.gz GMNWSIJQGPIOJL-NSHDSACASA-N 1 2 348.790 2.666 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368903602 150232989 /nfs/dbraw/zinc/23/29/89/150232989.db2.gz YOBBVMSOBPIHMC-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368903602 150232992 /nfs/dbraw/zinc/23/29/92/150232992.db2.gz YOBBVMSOBPIHMC-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374084599 151281145 /nfs/dbraw/zinc/28/11/45/151281145.db2.gz VGBHLILTANAUTA-UHFFFAOYSA-N 1 2 347.415 2.733 20 5 EFBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374202261 151300914 /nfs/dbraw/zinc/30/09/14/151300914.db2.gz OQELXTCPACAZSN-ZZXKWVIFSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202261 151300916 /nfs/dbraw/zinc/30/09/16/151300916.db2.gz OQELXTCPACAZSN-ZZXKWVIFSA-N 1 2 326.356 2.737 20 5 EFBDLO COc1cccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn2C)c1 ZINC000374496348 151357103 /nfs/dbraw/zinc/35/71/03/151357103.db2.gz NMOGRBRWURYXOF-ZDUSSCGKSA-N 1 2 345.384 2.995 20 5 EFBDLO COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000374494221 151357279 /nfs/dbraw/zinc/35/72/79/151357279.db2.gz CDCJUQADRRVRSQ-CYBMUJFWSA-N 1 2 345.384 2.995 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3sccn3c1[N+](=O)[O-])CCC2 ZINC000378237716 152039105 /nfs/dbraw/zinc/03/91/05/152039105.db2.gz WCLLXEKNCJTHBI-JTQLQIEISA-N 1 2 332.389 2.798 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378261952 152043210 /nfs/dbraw/zinc/04/32/10/152043210.db2.gz CQXWULUCYUQHTC-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000378531085 152111053 /nfs/dbraw/zinc/11/10/53/152111053.db2.gz GQXXNQUBKNMKLF-UHFFFAOYSA-N 1 2 335.367 2.910 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000268381869 292282905 /nfs/dbraw/zinc/28/29/05/292282905.db2.gz NPVKDESOYDUFJY-BBRMVZONSA-N 1 2 328.372 2.823 20 5 EFBDLO C[C@@H](O)C[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429204252 287096492 /nfs/dbraw/zinc/09/64/92/287096492.db2.gz OKIGYGSYPDFMAF-NXEZZACHSA-N 1 2 348.230 2.793 20 5 EFBDLO C[C@@H](O)C[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429204252 287096493 /nfs/dbraw/zinc/09/64/93/287096493.db2.gz OKIGYGSYPDFMAF-NXEZZACHSA-N 1 2 348.230 2.793 20 5 EFBDLO CN(Cc1[nH+]ccn1C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123011536 222199173 /nfs/dbraw/zinc/19/91/73/222199173.db2.gz QBEXTCHAZIUVBI-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO CS(=O)(=O)c1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000018901186 544428174 /nfs/dbraw/zinc/42/81/74/544428174.db2.gz VSNQSWKEGSHNJO-UHFFFAOYSA-N 1 2 349.393 2.797 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000119680951 544581343 /nfs/dbraw/zinc/58/13/43/544581343.db2.gz DKFSMOQGXANZMW-SECBINFHSA-N 1 2 335.310 2.823 20 5 EFBDLO CCc1cc(NCCOCCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053560062 292646518 /nfs/dbraw/zinc/64/65/18/292646518.db2.gz IPSXGHOQTJXCPN-UHFFFAOYSA-N 1 2 346.387 2.689 20 5 EFBDLO Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000046945049 272979799 /nfs/dbraw/zinc/97/97/99/272979799.db2.gz GCYTYKJYJOLHRH-UHFFFAOYSA-N 1 2 329.360 2.922 20 5 EFBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccccc1[N+](=O)[O-])n2C ZINC000185834065 265048629 /nfs/dbraw/zinc/04/86/29/265048629.db2.gz KMIWUQPGIXKTIY-UHFFFAOYSA-N 1 2 326.356 2.780 20 5 EFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187361501 265096441 /nfs/dbraw/zinc/09/64/41/265096441.db2.gz RBXTUNPLIVVIFB-GOSISDBHSA-N 1 2 342.395 2.901 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000188826911 265156486 /nfs/dbraw/zinc/15/64/86/265156486.db2.gz NJBADZHZSBRGPY-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190622786 265232644 /nfs/dbraw/zinc/23/26/44/265232644.db2.gz OIODXEOIIWLHST-CQSZACIVSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190622786 265232646 /nfs/dbraw/zinc/23/26/46/265232646.db2.gz OIODXEOIIWLHST-CQSZACIVSA-N 1 2 336.388 2.910 20 5 EFBDLO COc1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191754483 265275705 /nfs/dbraw/zinc/27/57/05/265275705.db2.gz FNIATGXQUTWPJS-OAHLLOKOSA-N 1 2 348.428 2.627 20 5 EFBDLO COc1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191754483 265275707 /nfs/dbraw/zinc/27/57/07/265275707.db2.gz FNIATGXQUTWPJS-OAHLLOKOSA-N 1 2 348.428 2.627 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000271519435 266000369 /nfs/dbraw/zinc/00/03/69/266000369.db2.gz GVNOGLOSNJETGE-UHFFFAOYSA-N 1 2 343.374 2.766 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000271519435 266000371 /nfs/dbraw/zinc/00/03/71/266000371.db2.gz GVNOGLOSNJETGE-UHFFFAOYSA-N 1 2 343.374 2.766 20 5 EFBDLO Cc1cc(N2CC[C@H]([C@@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272411960 266257979 /nfs/dbraw/zinc/25/79/79/266257979.db2.gz CHKPRICCJIRSPT-OCCSQVGLSA-N 1 2 328.372 2.567 20 5 EFBDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272448021 266269049 /nfs/dbraw/zinc/26/90/49/266269049.db2.gz AKFQDVJCEAFSND-ZDUSSCGKSA-N 1 2 344.371 2.537 20 5 EFBDLO Cc1cccc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000275409167 266801456 /nfs/dbraw/zinc/80/14/56/266801456.db2.gz FZJIPMKJRKBUJB-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ncnn1C ZINC000276409788 266983586 /nfs/dbraw/zinc/98/35/86/266983586.db2.gz BBWYRMJQMFHMJT-LLVKDONJSA-N 1 2 327.344 2.834 20 5 EFBDLO CCOc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000276824301 267056445 /nfs/dbraw/zinc/05/64/45/267056445.db2.gz AEGCADRASMXVMR-GFCCVEGCSA-N 1 2 341.371 2.887 20 5 EFBDLO CCOc1cc(CSc2[nH+]cnc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000276874641 267067232 /nfs/dbraw/zinc/06/72/32/267067232.db2.gz HYPSDIAWNMETLQ-UHFFFAOYSA-N 1 2 345.384 2.963 20 5 EFBDLO CCS(=O)(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000277693443 267236051 /nfs/dbraw/zinc/23/60/51/267236051.db2.gz CCVVGZKJYIINAN-LBPRGKRZSA-N 1 2 326.418 2.555 20 5 EFBDLO Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000119144855 273016921 /nfs/dbraw/zinc/01/69/21/273016921.db2.gz FLQVMSUNIYFBNK-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000277976471 267312107 /nfs/dbraw/zinc/31/21/07/267312107.db2.gz HBQCZKYMEIMBHX-ZIAGYGMSSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000277976471 267312110 /nfs/dbraw/zinc/31/21/10/267312110.db2.gz HBQCZKYMEIMBHX-ZIAGYGMSSA-N 1 2 330.344 2.571 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278120266 267347835 /nfs/dbraw/zinc/34/78/35/267347835.db2.gz QHUQLZLEJWDHOI-SMDDNHRTSA-N 1 2 348.334 2.710 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278120266 267347837 /nfs/dbraw/zinc/34/78/37/267347837.db2.gz QHUQLZLEJWDHOI-SMDDNHRTSA-N 1 2 348.334 2.710 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000278220978 267371663 /nfs/dbraw/zinc/37/16/63/267371663.db2.gz XVADIYIWPHBIPQ-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000278220978 267371665 /nfs/dbraw/zinc/37/16/65/267371665.db2.gz XVADIYIWPHBIPQ-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000269673646 273088378 /nfs/dbraw/zinc/08/83/78/273088378.db2.gz VTKLNKHMABTYPC-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000269673646 273088379 /nfs/dbraw/zinc/08/83/79/273088379.db2.gz VTKLNKHMABTYPC-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000269673659 273088561 /nfs/dbraw/zinc/08/85/61/273088561.db2.gz VTKLNKHMABTYPC-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000269673659 273088562 /nfs/dbraw/zinc/08/85/62/273088562.db2.gz VTKLNKHMABTYPC-ZWKOTPCHSA-N 1 2 346.358 2.841 20 5 EFBDLO COC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000273967359 273121222 /nfs/dbraw/zinc/12/12/22/273121222.db2.gz KAWXOUDUZKVROO-UHFFFAOYSA-N 1 2 341.327 2.856 20 5 EFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000274192373 273125241 /nfs/dbraw/zinc/12/52/41/273125241.db2.gz GIVKBNJXKWHVIU-LLVKDONJSA-N 1 2 334.401 2.503 20 5 EFBDLO CCc1cc(N)nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000279016602 273166890 /nfs/dbraw/zinc/16/68/90/273166890.db2.gz BIBZWLKYPUNCDB-UHFFFAOYSA-N 1 2 347.400 2.650 20 5 EFBDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000279213839 273189129 /nfs/dbraw/zinc/18/91/29/273189129.db2.gz CCZAWIYUNHWRKI-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000279213839 273189130 /nfs/dbraw/zinc/18/91/30/273189130.db2.gz CCZAWIYUNHWRKI-OAHLLOKOSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319364 273202316 /nfs/dbraw/zinc/20/23/16/273202316.db2.gz NYJWECWYPBBRAL-PLQHRBFRSA-N 1 2 347.415 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319364 273202317 /nfs/dbraw/zinc/20/23/17/273202317.db2.gz NYJWECWYPBBRAL-PLQHRBFRSA-N 1 2 347.415 2.730 20 5 EFBDLO CC(C)c1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279438617 273215514 /nfs/dbraw/zinc/21/55/14/273215514.db2.gz ZQVAIXYVWXVGKN-CQSZACIVSA-N 1 2 349.431 2.511 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000279890092 273265645 /nfs/dbraw/zinc/26/56/45/273265645.db2.gz USWRETQNNFBMFY-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000279890092 273265646 /nfs/dbraw/zinc/26/56/46/273265646.db2.gz USWRETQNNFBMFY-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280122705 273293409 /nfs/dbraw/zinc/29/34/09/273293409.db2.gz BTSPABBSISJBBA-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280122705 273293411 /nfs/dbraw/zinc/29/34/11/273293411.db2.gz BTSPABBSISJBBA-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000280571450 273342329 /nfs/dbraw/zinc/34/23/29/273342329.db2.gz LUGWKZYRSQGAEL-GTNSWQLSSA-N 1 2 336.388 2.611 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000280571450 273342331 /nfs/dbraw/zinc/34/23/31/273342331.db2.gz LUGWKZYRSQGAEL-GTNSWQLSSA-N 1 2 336.388 2.611 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285511426 274015027 /nfs/dbraw/zinc/01/50/27/274015027.db2.gz FZDWMCKHQRGPGB-LBPRGKRZSA-N 1 2 327.406 2.757 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285511426 274015028 /nfs/dbraw/zinc/01/50/28/274015028.db2.gz FZDWMCKHQRGPGB-LBPRGKRZSA-N 1 2 327.406 2.757 20 5 EFBDLO Nc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000285612616 274037983 /nfs/dbraw/zinc/03/79/83/274037983.db2.gz MJBCRGFTJWGSHT-OAHLLOKOSA-N 1 2 348.428 2.724 20 5 EFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c[nH+]c1N1CCCC[C@H]1C ZINC000285779588 274073138 /nfs/dbraw/zinc/07/31/38/274073138.db2.gz JZESDKXUODPYLL-LLVKDONJSA-N 1 2 344.375 2.652 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801247 274077703 /nfs/dbraw/zinc/07/77/03/274077703.db2.gz FUQNZCRCPJUHEE-IUODEOHRSA-N 1 2 339.823 2.543 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285861458 274089329 /nfs/dbraw/zinc/08/93/29/274089329.db2.gz IMTQAGZSNNPIOD-WFASDCNBSA-N 1 2 339.823 2.543 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000285896855 274096396 /nfs/dbraw/zinc/09/63/96/274096396.db2.gz GMURAIJGGPGVLY-UHFFFAOYSA-N 1 2 348.353 2.586 20 5 EFBDLO CC(=O)c1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000286149432 274143252 /nfs/dbraw/zinc/14/32/52/274143252.db2.gz IQATXMIJVLLWRM-AWEZNQCLSA-N 1 2 326.356 2.883 20 5 EFBDLO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286164995 274145926 /nfs/dbraw/zinc/14/59/26/274145926.db2.gz YEMNOPJWEAYKPN-NSHDSACASA-N 1 2 341.358 2.611 20 5 EFBDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286164995 274145928 /nfs/dbraw/zinc/14/59/28/274145928.db2.gz YEMNOPJWEAYKPN-NSHDSACASA-N 1 2 341.358 2.611 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000286250204 274162261 /nfs/dbraw/zinc/16/22/61/274162261.db2.gz FXFDESICSPXGPF-WCQYABFASA-N 1 2 325.796 2.548 20 5 EFBDLO Cc1cccc(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000286576925 274228937 /nfs/dbraw/zinc/22/89/37/274228937.db2.gz MQEJNHNNSNNMDW-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO CNC(=O)c1ccc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000286675696 274248968 /nfs/dbraw/zinc/24/89/68/274248968.db2.gz WLJGSJVNMWHVGH-UHFFFAOYSA-N 1 2 328.372 2.703 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000286704672 274255629 /nfs/dbraw/zinc/25/56/29/274255629.db2.gz WNICWQNWNLNQBV-CMPLNLGQSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000286704672 274255630 /nfs/dbraw/zinc/25/56/30/274255630.db2.gz WNICWQNWNLNQBV-CMPLNLGQSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)s1 ZINC000337031925 275041298 /nfs/dbraw/zinc/04/12/98/275041298.db2.gz ZAXGICLMUNKHGE-UHFFFAOYSA-N 1 2 327.369 2.800 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249048573 277353261 /nfs/dbraw/zinc/35/32/61/277353261.db2.gz HTQJZOSQJUKOIR-GXFFZTMASA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249048573 277353262 /nfs/dbraw/zinc/35/32/62/277353262.db2.gz HTQJZOSQJUKOIR-GXFFZTMASA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000413255806 277355860 /nfs/dbraw/zinc/35/58/60/277355860.db2.gz AOFXVMOREDOCDM-SMDDNHRTSA-N 1 2 329.356 2.778 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000339225931 279147153 /nfs/dbraw/zinc/14/71/53/279147153.db2.gz QXPWNBFYWHFEQG-UHFFFAOYSA-N 1 2 337.339 2.618 20 5 EFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341591860 280123128 /nfs/dbraw/zinc/12/31/28/280123128.db2.gz QJTQLIKTTJQHDF-NSHDSACASA-N 1 2 349.337 2.654 20 5 EFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341591860 280123131 /nfs/dbraw/zinc/12/31/31/280123131.db2.gz QJTQLIKTTJQHDF-NSHDSACASA-N 1 2 349.337 2.654 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000338784574 280198521 /nfs/dbraw/zinc/19/85/21/280198521.db2.gz LSBJBRUZQPQBLE-DTORHVGOSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000338784574 280198523 /nfs/dbraw/zinc/19/85/23/280198523.db2.gz LSBJBRUZQPQBLE-DTORHVGOSA-N 1 2 343.225 2.590 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000077221048 290029679 /nfs/dbraw/zinc/02/96/79/290029679.db2.gz NCBZXYUTEMIIKY-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000077221048 290029683 /nfs/dbraw/zinc/02/96/83/290029683.db2.gz NCBZXYUTEMIIKY-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000126828570 293050975 /nfs/dbraw/zinc/05/09/75/293050975.db2.gz KIBCYUAMARNXRM-LBPRGKRZSA-N 1 2 347.758 2.937 20 5 EFBDLO COC(=O)C1([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000129832156 293145364 /nfs/dbraw/zinc/14/53/64/293145364.db2.gz QXADVYZVLRENQP-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO COC(=O)C1([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000129832156 293145365 /nfs/dbraw/zinc/14/53/65/293145365.db2.gz QXADVYZVLRENQP-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO Cc1c(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000130130048 293155202 /nfs/dbraw/zinc/15/52/02/293155202.db2.gz ZLSZMJQTAUNWRX-INIZCTEOSA-N 1 2 341.367 2.521 20 5 EFBDLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131245898 293191315 /nfs/dbraw/zinc/19/13/15/293191315.db2.gz RPNGWBUAFOEXMK-UHFFFAOYSA-N 1 2 339.395 2.612 20 5 EFBDLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131245898 293191316 /nfs/dbraw/zinc/19/13/16/293191316.db2.gz RPNGWBUAFOEXMK-UHFFFAOYSA-N 1 2 339.395 2.612 20 5 EFBDLO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132879441 293240344 /nfs/dbraw/zinc/24/03/44/293240344.db2.gz QYMDJDQQZLCPQJ-UHFFFAOYSA-N 1 2 349.431 2.885 20 5 EFBDLO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000292890041 294816548 /nfs/dbraw/zinc/81/65/48/294816548.db2.gz YSUCCISVWLWBCR-UHFFFAOYSA-N 1 2 327.388 2.583 20 5 EFBDLO COC(=O)c1cnc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000295088051 295266701 /nfs/dbraw/zinc/26/67/01/295266701.db2.gz YUANMSNPISPBQF-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO O=C(C[NH+]1CCC(CF)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094239 295267526 /nfs/dbraw/zinc/26/75/26/295267526.db2.gz GIPSGSSJPHQREZ-UHFFFAOYSA-N 1 2 329.759 2.868 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295133152 295272444 /nfs/dbraw/zinc/27/24/44/295272444.db2.gz OWHSXOIKKBORQX-GFCCVEGCSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295133152 295272445 /nfs/dbraw/zinc/27/24/45/295272445.db2.gz OWHSXOIKKBORQX-GFCCVEGCSA-N 1 2 327.768 2.521 20 5 EFBDLO CCC[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000295180976 295279050 /nfs/dbraw/zinc/27/90/50/295279050.db2.gz VSNYMORVIATTKS-HZPDHXFCSA-N 1 2 332.404 2.822 20 5 EFBDLO COc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000192755504 295286152 /nfs/dbraw/zinc/28/61/52/295286152.db2.gz WXZUPACAFYPXOH-TZMCWYRMSA-N 1 2 344.371 2.523 20 5 EFBDLO Cc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000295458422 295324080 /nfs/dbraw/zinc/32/40/80/295324080.db2.gz HOKRRHOZLHISNY-UHFFFAOYSA-N 1 2 328.376 2.691 20 5 EFBDLO Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295819104 295380759 /nfs/dbraw/zinc/38/07/59/295380759.db2.gz HNUDJDCGOTXYBK-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO CC[C@H](C)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000295849753 295385653 /nfs/dbraw/zinc/38/56/53/295385653.db2.gz BDBYKGQQSMFHBI-JTQLQIEISA-N 1 2 343.225 2.673 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296170050 295435200 /nfs/dbraw/zinc/43/52/00/295435200.db2.gz LLASGIUEVKZCBQ-FSNWXROXSA-N 1 2 340.383 2.951 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296362383 295464410 /nfs/dbraw/zinc/46/44/10/295464410.db2.gz UVORTAUZQMDECQ-AWEZNQCLSA-N 1 2 344.371 2.560 20 5 EFBDLO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000068085472 297227982 /nfs/dbraw/zinc/22/79/82/297227982.db2.gz HJEACPDVCKYCEI-ZIAGYGMSSA-N 1 2 349.431 2.788 20 5 EFBDLO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436885003 297228061 /nfs/dbraw/zinc/22/80/61/297228061.db2.gz MBICLDXUMWGGFS-ZIAGYGMSSA-N 1 2 349.431 2.788 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000373999146 301856779 /nfs/dbraw/zinc/85/67/79/301856779.db2.gz AHSCGLZYKZCDFP-CQSZACIVSA-N 1 2 344.371 2.759 20 5 EFBDLO CC(=O)N(C)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163507863 310726572 /nfs/dbraw/zinc/72/65/72/310726572.db2.gz ZZTAXJICVCUVPL-UHFFFAOYSA-N 1 2 325.796 2.691 20 5 EFBDLO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000179668214 310789844 /nfs/dbraw/zinc/78/98/44/310789844.db2.gz YEQWJPSPUJXULH-LBPRGKRZSA-N 1 2 338.367 2.693 20 5 EFBDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296627379 310832061 /nfs/dbraw/zinc/83/20/61/310832061.db2.gz XFEYBZHNRVQDPT-QMMMGPOBSA-N 1 2 341.293 2.837 20 5 EFBDLO CC1(C)C[C@H]([NH2+][C@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631507 310832510 /nfs/dbraw/zinc/83/25/10/310832510.db2.gz BJYMSZAUOGWISG-HOTGVXAUSA-N 1 2 340.383 2.528 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000298614949 311008058 /nfs/dbraw/zinc/00/80/58/311008058.db2.gz LSUYVRFQTVLMNN-UHFFFAOYSA-N 1 2 341.371 2.882 20 5 EFBDLO CC1CCN(c2ccc(CNc3c([N+](=O)[O-])ncn3C)c[nH+]2)CC1 ZINC000298718393 311017598 /nfs/dbraw/zinc/01/75/98/311017598.db2.gz NJINIOBZCKBAQN-UHFFFAOYSA-N 1 2 330.392 2.572 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000298739453 311019379 /nfs/dbraw/zinc/01/93/79/311019379.db2.gz WEBFWJWGJOFYED-TXEJJXNPSA-N 1 2 329.360 2.742 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299317093 311071991 /nfs/dbraw/zinc/07/19/91/311071991.db2.gz AVYKZVBTMUDSDI-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000299545629 311095569 /nfs/dbraw/zinc/09/55/69/311095569.db2.gz KCQGNASXLALPAE-UHFFFAOYSA-N 1 2 330.344 2.829 20 5 EFBDLO CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000301148352 311121265 /nfs/dbraw/zinc/12/12/65/311121265.db2.gz HZPHUVOLINZSMN-UHFFFAOYSA-N 1 2 328.376 2.947 20 5 EFBDLO CC(C)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301547168 311143725 /nfs/dbraw/zinc/14/37/25/311143725.db2.gz PRFOTUKAYCGKSK-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301547168 311143726 /nfs/dbraw/zinc/14/37/26/311143726.db2.gz PRFOTUKAYCGKSK-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO Cc1cc(N2CC[C@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301605394 311147320 /nfs/dbraw/zinc/14/73/20/311147320.db2.gz MIKJMSFGXTYSMB-SFHVURJKSA-N 1 2 340.383 2.977 20 5 EFBDLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301623790 311148326 /nfs/dbraw/zinc/14/83/26/311148326.db2.gz GLUOSHBRRNMVNQ-INIZCTEOSA-N 1 2 342.399 2.784 20 5 EFBDLO CC(C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000301758679 311156973 /nfs/dbraw/zinc/15/69/73/311156973.db2.gz APTILSOMQFXCFA-AWEZNQCLSA-N 1 2 329.347 2.642 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301828865 311161201 /nfs/dbraw/zinc/16/12/01/311161201.db2.gz OPAXDBGPJRLDHK-UHFFFAOYSA-N 1 2 329.360 2.827 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301828865 311161204 /nfs/dbraw/zinc/16/12/04/311161204.db2.gz OPAXDBGPJRLDHK-UHFFFAOYSA-N 1 2 329.360 2.827 20 5 EFBDLO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301963156 311169021 /nfs/dbraw/zinc/16/90/21/311169021.db2.gz UPRLRECEAOKJKN-NHYWBVRUSA-N 1 2 328.372 2.567 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2cccc(C)c2[nH+]1 ZINC000301976587 311169912 /nfs/dbraw/zinc/16/99/12/311169912.db2.gz COKFOGLKYQNGNT-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO C[C@@H]1[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1(C)C ZINC000331047565 311350973 /nfs/dbraw/zinc/35/09/73/311350973.db2.gz JBDPSBWOFBDIDR-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H]1[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1(C)C ZINC000331047565 311350975 /nfs/dbraw/zinc/35/09/75/311350975.db2.gz JBDPSBWOFBDIDR-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc(C)[nH+]1 ZINC000420699635 312385375 /nfs/dbraw/zinc/38/53/75/312385375.db2.gz NLNJWSOTEUDUID-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO COc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000420783320 312389309 /nfs/dbraw/zinc/38/93/09/312389309.db2.gz SBUQQGHKJNCJAU-UHFFFAOYSA-N 1 2 344.371 2.615 20 5 EFBDLO Cc1cc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420808414 312394444 /nfs/dbraw/zinc/39/44/44/312394444.db2.gz BDJRPVPXVXUAMK-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO CC(C)OCC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432316645 312555701 /nfs/dbraw/zinc/55/57/01/312555701.db2.gz YVLMLQPVDBQLIX-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO CCc1cc(NCCC2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450826736 312753108 /nfs/dbraw/zinc/75/31/08/312753108.db2.gz YTUYTFFYDAHSRV-UHFFFAOYSA-N 1 2 342.399 2.611 20 5 EFBDLO COC(=O)Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450823540 312753123 /nfs/dbraw/zinc/75/31/23/312753123.db2.gz VMAJAPNPGRGBSL-ZWNOBZJWSA-N 1 2 330.344 2.625 20 5 EFBDLO Cc1cc(N2CC[C@H](CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450952960 312783424 /nfs/dbraw/zinc/78/34/24/312783424.db2.gz JTPCYVGFMGRNOS-AWEZNQCLSA-N 1 2 342.399 2.959 20 5 EFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CCc3ccccc3)C2)cc1 ZINC000470038289 313127998 /nfs/dbraw/zinc/12/79/98/313127998.db2.gz JUIXBARVKQDTFR-QGZVFWFLSA-N 1 2 342.395 2.652 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000470204742 313130310 /nfs/dbraw/zinc/13/03/10/313130310.db2.gz WPCBXEVWAIZZOY-DHDCSXOGSA-N 1 2 331.416 2.798 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000470204742 313130313 /nfs/dbraw/zinc/13/03/13/313130313.db2.gz WPCBXEVWAIZZOY-DHDCSXOGSA-N 1 2 331.416 2.798 20 5 EFBDLO COCC(C)(C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488674748 313502478 /nfs/dbraw/zinc/50/24/78/313502478.db2.gz KBPXSUSXAUWYKG-UHFFFAOYSA-N 1 2 330.388 2.867 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000491477604 313753342 /nfs/dbraw/zinc/75/33/42/313753342.db2.gz HPVLANXUJZWDFH-DANTVBBOSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000491874860 313798797 /nfs/dbraw/zinc/79/87/97/313798797.db2.gz WXTMGSDGDRKKSA-XQRVVYSFSA-N 1 2 332.335 2.540 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000492413308 313981850 /nfs/dbraw/zinc/98/18/50/313981850.db2.gz XGZMICGCOIFJOX-HJWRWDBZSA-N 1 2 326.356 2.804 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000492465403 314000622 /nfs/dbraw/zinc/00/06/22/314000622.db2.gz YQOSDVMJSAKAFI-KHPPLWFESA-N 1 2 342.399 2.964 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492642751 314068659 /nfs/dbraw/zinc/06/86/59/314068659.db2.gz QNXMPXYUABKLSN-BQYQJAHWSA-N 1 2 330.344 2.862 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844566 314149501 /nfs/dbraw/zinc/14/95/01/314149501.db2.gz DRFHIQHVYMNWMO-SWLSCSKDSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844566 314149503 /nfs/dbraw/zinc/14/95/03/314149503.db2.gz DRFHIQHVYMNWMO-SWLSCSKDSA-N 1 2 336.388 2.767 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927949 314181349 /nfs/dbraw/zinc/18/13/49/314181349.db2.gz SGGXLYNMFMZHDA-BIENSFFJSA-N 1 2 344.346 2.748 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000492972400 314196920 /nfs/dbraw/zinc/19/69/20/314196920.db2.gz JRPJZBUVILRFLL-NNNHXZLVSA-N 1 2 326.356 2.802 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493029583 314217024 /nfs/dbraw/zinc/21/70/24/314217024.db2.gz WHVJNRIJSBQILL-KXPUMZMLSA-N 1 2 340.383 2.951 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493492680 314376535 /nfs/dbraw/zinc/37/65/35/314376535.db2.gz KWYKIYHMAXQJLU-NEQXKTFVSA-N 1 2 330.319 2.766 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000493554567 314398778 /nfs/dbraw/zinc/39/87/78/314398778.db2.gz MHEPSCDXRKAAMW-FPLPWBNLSA-N 1 2 326.356 2.804 20 5 EFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000496308467 315021765 /nfs/dbraw/zinc/02/17/65/315021765.db2.gz OVDOJJATPPJGAB-ZDUSSCGKSA-N 1 2 339.417 2.899 20 5 EFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000496308467 315021768 /nfs/dbraw/zinc/02/17/68/315021768.db2.gz OVDOJJATPPJGAB-ZDUSSCGKSA-N 1 2 339.417 2.899 20 5 EFBDLO C[C@H]1C[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000520500544 315960867 /nfs/dbraw/zinc/96/08/67/315960867.db2.gz BEDBBOZFKULRMO-GJZGRUSLSA-N 1 2 349.431 2.654 20 5 EFBDLO CS(=O)(=O)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000521403930 316020416 /nfs/dbraw/zinc/02/04/16/316020416.db2.gz PJHSHGXPSRRYFI-OCCSQVGLSA-N 1 2 349.412 2.911 20 5 EFBDLO CNc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000522719741 316098588 /nfs/dbraw/zinc/09/85/88/316098588.db2.gz SXZZVIBZRQIBQP-CYBMUJFWSA-N 1 2 329.360 2.727 20 5 EFBDLO CNc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000522719742 316098872 /nfs/dbraw/zinc/09/88/72/316098872.db2.gz SXZZVIBZRQIBQP-ZDUSSCGKSA-N 1 2 329.360 2.727 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000523078179 316109922 /nfs/dbraw/zinc/10/99/22/316109922.db2.gz ZZEKNKZRKIVVBW-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000523078179 316109925 /nfs/dbraw/zinc/10/99/25/316109925.db2.gz ZZEKNKZRKIVVBW-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000523463094 316125210 /nfs/dbraw/zinc/12/52/10/316125210.db2.gz KFJFMGGMUWQVRF-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000523463094 316125214 /nfs/dbraw/zinc/12/52/14/316125214.db2.gz KFJFMGGMUWQVRF-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000527304136 316365688 /nfs/dbraw/zinc/36/56/88/316365688.db2.gz LHBJDXWBYRSTDY-SDNWHVSQSA-N 1 2 329.400 2.552 20 5 EFBDLO CCc1nn(C)c(N[C@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000538743631 317705028 /nfs/dbraw/zinc/70/50/28/317705028.db2.gz VCTFQBZCVJKBNK-AWEZNQCLSA-N 1 2 340.387 2.826 20 5 EFBDLO CCCNC(=O)C[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541549986 317780542 /nfs/dbraw/zinc/78/05/42/317780542.db2.gz NTIAJVDGXRGEHB-SFHVURJKSA-N 1 2 345.399 2.955 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc(C4CC4)cs3)CC2)cn1 ZINC000542208434 317806294 /nfs/dbraw/zinc/80/62/94/317806294.db2.gz CBPSNAFAXRTUEY-UHFFFAOYSA-N 1 2 345.428 2.646 20 5 EFBDLO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000544478120 317886280 /nfs/dbraw/zinc/88/62/80/317886280.db2.gz XHLYYJDYLOPGOB-HNNXBMFYSA-N 1 2 338.404 2.930 20 5 EFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000549693931 318179955 /nfs/dbraw/zinc/17/99/55/318179955.db2.gz LVZKKBCSUMTECU-UHFFFAOYSA-N 1 2 337.339 2.868 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c(F)c1 ZINC000551975009 318232544 /nfs/dbraw/zinc/23/25/44/318232544.db2.gz ZLRTXWWNOBNLRZ-UHFFFAOYSA-N 1 2 342.342 2.645 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCOC3(CCOCC3)CC2)c(F)c1 ZINC000551975009 318232546 /nfs/dbraw/zinc/23/25/46/318232546.db2.gz ZLRTXWWNOBNLRZ-UHFFFAOYSA-N 1 2 342.342 2.645 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000552912188 318265766 /nfs/dbraw/zinc/26/57/66/318265766.db2.gz FVFHGRYWRYCPCT-UHFFFAOYSA-N 1 2 345.374 2.935 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCCn1cc[nH+]c1 ZINC000553183077 318274056 /nfs/dbraw/zinc/27/40/56/318274056.db2.gz BQWXDQTVQOKQHY-UHFFFAOYSA-N 1 2 332.360 2.779 20 5 EFBDLO CCc1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000563694020 318810111 /nfs/dbraw/zinc/81/01/11/318810111.db2.gz VSMWNFOIGDTMQF-MRXNPFEDSA-N 1 2 341.371 2.758 20 5 EFBDLO Cc1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564725013 318885699 /nfs/dbraw/zinc/88/56/99/318885699.db2.gz MLJGZSOXDXBDDA-ZBFHGGJFSA-N 1 2 340.383 2.975 20 5 EFBDLO CC(C)Oc1nc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000566477337 319082160 /nfs/dbraw/zinc/08/21/60/319082160.db2.gz BJJOZJFGHPNUOD-UHFFFAOYSA-N 1 2 341.371 2.501 20 5 EFBDLO C[C@@H](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)n1cc[nH+]c1 ZINC000567988845 319233961 /nfs/dbraw/zinc/23/39/61/319233961.db2.gz QDJFVBZVRRINBV-NSHDSACASA-N 1 2 346.343 2.542 20 5 EFBDLO Cc1cccn2cc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000569528860 319388620 /nfs/dbraw/zinc/38/86/20/319388620.db2.gz XOYWODUNCYIVCD-UHFFFAOYSA-N 1 2 334.339 2.858 20 5 EFBDLO CC(C)OC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000575150623 319930196 /nfs/dbraw/zinc/93/01/96/319930196.db2.gz AENJVDPRPRKSRD-HNNXBMFYSA-N 1 2 331.372 2.773 20 5 EFBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000578291245 320190777 /nfs/dbraw/zinc/19/07/77/320190777.db2.gz KICOSWXXNOMDOZ-LSDHHAIUSA-N 1 2 333.432 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOCC(F)(F)F)c2c1 ZINC000578327391 320196118 /nfs/dbraw/zinc/19/61/18/320196118.db2.gz FECZEPNFPZOMSC-UHFFFAOYSA-N 1 2 329.278 2.946 20 5 EFBDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345954 323212571 /nfs/dbraw/zinc/21/25/71/323212571.db2.gz STFGZJJQTXPPSP-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345954 323212573 /nfs/dbraw/zinc/21/25/73/323212573.db2.gz STFGZJJQTXPPSP-UHFFFAOYSA-N 1 2 347.802 2.996 20 5 EFBDLO Cc1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000028094702 323212691 /nfs/dbraw/zinc/21/26/91/323212691.db2.gz AOPGDHOXQVXFGD-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182214405 323269077 /nfs/dbraw/zinc/26/90/77/323269077.db2.gz GKYDLKOVFPGOIH-UHFFFAOYSA-N 1 2 348.424 2.543 20 5 EFBDLO C[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182214405 323269080 /nfs/dbraw/zinc/26/90/80/323269080.db2.gz GKYDLKOVFPGOIH-UHFFFAOYSA-N 1 2 348.424 2.543 20 5 EFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000182248266 323272814 /nfs/dbraw/zinc/27/28/14/323272814.db2.gz IOMTVALPPZCCBY-HNNXBMFYSA-N 1 2 339.351 2.898 20 5 EFBDLO CC(C)Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000182962076 323309440 /nfs/dbraw/zinc/30/94/40/323309440.db2.gz OWTAKRBARKQJBF-UHFFFAOYSA-N 1 2 343.431 2.770 20 5 EFBDLO COC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000184698470 323372376 /nfs/dbraw/zinc/37/23/76/323372376.db2.gz NIZSIRQTFOCUTM-OAHLLOKOSA-N 1 2 347.371 2.720 20 5 EFBDLO Cc1c(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000184825148 323375876 /nfs/dbraw/zinc/37/58/76/323375876.db2.gz BIXPZCLPRPJRMP-CYBMUJFWSA-N 1 2 338.371 2.730 20 5 EFBDLO CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000296792214 323624942 /nfs/dbraw/zinc/62/49/42/323624942.db2.gz OHQNTMGKOVRIKN-CYBMUJFWSA-N 1 2 338.389 2.531 20 5 EFBDLO C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579902943 324051591 /nfs/dbraw/zinc/05/15/91/324051591.db2.gz SCGHUEKLUZATJE-CYBMUJFWSA-N 1 2 328.372 2.759 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000583001370 324715193 /nfs/dbraw/zinc/71/51/93/324715193.db2.gz WXMFOXCNFHNCJW-CQSZACIVSA-N 1 2 348.321 2.739 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000583001369 324715308 /nfs/dbraw/zinc/71/53/08/324715308.db2.gz WXMFOXCNFHNCJW-AWEZNQCLSA-N 1 2 348.321 2.739 20 5 EFBDLO Cc1cc(NC[C@@H](O)CC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000583345275 324792428 /nfs/dbraw/zinc/79/24/28/324792428.db2.gz WWEKLVYOKWVVTG-HNNXBMFYSA-N 1 2 344.415 2.991 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)nc1 ZINC000128911696 472509465 /nfs/dbraw/zinc/50/94/65/472509465.db2.gz HRKHATXBXWUZEM-LBPRGKRZSA-N 1 2 338.371 2.553 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)nc1 ZINC000128911696 472509470 /nfs/dbraw/zinc/50/94/70/472509470.db2.gz HRKHATXBXWUZEM-LBPRGKRZSA-N 1 2 338.371 2.553 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000139730394 473237580 /nfs/dbraw/zinc/23/75/80/473237580.db2.gz DOHZAAJKDVGRKV-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000139730394 473237583 /nfs/dbraw/zinc/23/75/83/473237583.db2.gz DOHZAAJKDVGRKV-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139774243 473237944 /nfs/dbraw/zinc/23/79/44/473237944.db2.gz SOBKKSUKQOGTBZ-ZDUSSCGKSA-N 1 2 333.388 2.567 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139774243 473237949 /nfs/dbraw/zinc/23/79/49/473237949.db2.gz SOBKKSUKQOGTBZ-ZDUSSCGKSA-N 1 2 333.388 2.567 20 5 EFBDLO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000081799989 473255486 /nfs/dbraw/zinc/25/54/86/473255486.db2.gz OHNFQANSDZEZAQ-CYBMUJFWSA-N 1 2 330.388 2.521 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000184986980 473292556 /nfs/dbraw/zinc/29/25/56/473292556.db2.gz YCBFGJCCZIBRBF-LLVKDONJSA-N 1 2 334.401 2.957 20 5 EFBDLO Cc1cc(N2CCC(C)(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000177070059 473301102 /nfs/dbraw/zinc/30/11/02/473301102.db2.gz RHPLCAADLSPOMP-UHFFFAOYSA-N 1 2 328.372 2.711 20 5 EFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1Cl ZINC000124929019 473327577 /nfs/dbraw/zinc/32/75/77/473327577.db2.gz MMPMDJNJZCHECI-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(CO)CC1 ZINC000162450414 473341818 /nfs/dbraw/zinc/34/18/18/473341818.db2.gz YXDUNBBXTXOYHE-UHFFFAOYSA-N 1 2 329.194 2.562 20 5 EFBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)CS(=O)(=O)CC ZINC000113001112 473346167 /nfs/dbraw/zinc/34/61/67/473346167.db2.gz NLXZDRVCSGZVDK-GFCCVEGCSA-N 1 2 328.434 2.548 20 5 EFBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)CS(=O)(=O)CC ZINC000113001112 473346172 /nfs/dbraw/zinc/34/61/72/473346172.db2.gz NLXZDRVCSGZVDK-GFCCVEGCSA-N 1 2 328.434 2.548 20 5 EFBDLO O=[N+]([O-])c1ccc(CNc2ccc(-n3cncn3)c[nH+]2)c(Cl)c1 ZINC000616206045 469398657 /nfs/dbraw/zinc/39/86/57/469398657.db2.gz NBIFWXQKWRIIES-UHFFFAOYSA-N 1 2 330.735 2.836 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000113161418 473361927 /nfs/dbraw/zinc/36/19/27/473361927.db2.gz AZGPVLKLBLHFHN-UHFFFAOYSA-N 1 2 330.392 2.716 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000609849424 469965528 /nfs/dbraw/zinc/96/55/28/469965528.db2.gz CPOLPRZWCXJBJZ-UHFFFAOYSA-N 1 2 334.339 2.840 20 5 EFBDLO Cc1c(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000616313120 479878642 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007843384 471641193 /nfs/dbraw/zinc/64/11/93/471641193.db2.gz OVABKMUVQFRUPZ-UHFFFAOYSA-N 1 2 347.346 2.813 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000008172687 471668899 /nfs/dbraw/zinc/66/88/99/471668899.db2.gz AODXGVMUTPZOSQ-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000010656986 471740389 /nfs/dbraw/zinc/74/03/89/471740389.db2.gz CHOBVPBTSSYPMA-UHFFFAOYSA-N 1 2 326.312 2.797 20 5 EFBDLO CC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000012558180 471781421 /nfs/dbraw/zinc/78/14/21/471781421.db2.gz WGVAXLVKXVTMPJ-QGZVFWFLSA-N 1 2 335.404 2.566 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000016565120 471942054 /nfs/dbraw/zinc/94/20/54/471942054.db2.gz OAFDIDXUOILETO-UHFFFAOYSA-N 1 2 342.355 2.825 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000018232277 471973992 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EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119910660 472600648 /nfs/dbraw/zinc/60/06/48/472600648.db2.gz XWKHXUFKUHMJDW-OAHLLOKOSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119910660 472600652 /nfs/dbraw/zinc/60/06/52/472600652.db2.gz XWKHXUFKUHMJDW-OAHLLOKOSA-N 1 2 335.404 2.589 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000103554779 472642269 /nfs/dbraw/zinc/64/22/69/472642269.db2.gz LDHJYVCPGDAHIO-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156089221 472663544 /nfs/dbraw/zinc/66/35/44/472663544.db2.gz WIHRJBGGGDKFQA-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120332084 472670741 /nfs/dbraw/zinc/67/07/41/472670741.db2.gz KKZIPYLVPOFPBJ-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccccc1 ZINC000131492607 472674355 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Cc1c(Cn2c3ccccc3[nH+]c2NCCO)cccc1[N+](=O)[O-] ZINC000047369947 472698384 /nfs/dbraw/zinc/69/83/84/472698384.db2.gz MTYRHZBWBKNLNE-UHFFFAOYSA-N 1 2 326.356 2.705 20 5 EFBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131911491 472702101 /nfs/dbraw/zinc/70/21/01/472702101.db2.gz KKDBHFDDWPMBHP-GOSISDBHSA-N 1 2 345.399 2.776 20 5 EFBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131911491 472702104 /nfs/dbraw/zinc/70/21/04/472702104.db2.gz KKDBHFDDWPMBHP-GOSISDBHSA-N 1 2 345.399 2.776 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072716905 472706452 /nfs/dbraw/zinc/70/64/52/472706452.db2.gz CEWOJFONBQERAK-CQSZACIVSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000072716905 472706459 /nfs/dbraw/zinc/70/64/59/472706459.db2.gz CEWOJFONBQERAK-CQSZACIVSA-N 1 2 347.415 2.957 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212206 472737696 /nfs/dbraw/zinc/73/76/96/472737696.db2.gz AXZDLPDFUUONMY-UHFFFAOYSA-N 1 2 336.351 2.639 20 5 EFBDLO CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000157032134 472778095 /nfs/dbraw/zinc/77/80/95/472778095.db2.gz SMWOTSCHBJXBDM-UHFFFAOYSA-N 1 2 344.400 2.899 20 5 EFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000073171582 472781035 /nfs/dbraw/zinc/78/10/35/472781035.db2.gz LCZDUWSANIQNFI-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121063164 472792612 /nfs/dbraw/zinc/79/26/12/472792612.db2.gz SYVROTWGSJWGCR-CQSZACIVSA-N 1 2 335.404 2.541 20 5 EFBDLO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121063164 472792618 /nfs/dbraw/zinc/79/26/18/472792618.db2.gz SYVROTWGSJWGCR-CQSZACIVSA-N 1 2 335.404 2.541 20 5 EFBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000063698569 472801076 /nfs/dbraw/zinc/80/10/76/472801076.db2.gz KNZIPJZITBRXBL-CQSZACIVSA-N 1 2 347.371 2.706 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000105977622 472812908 /nfs/dbraw/zinc/81/29/08/472812908.db2.gz VQCKPBQTAHJMJS-UHFFFAOYSA-N 1 2 334.335 2.937 20 5 EFBDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092399993 472906612 /nfs/dbraw/zinc/90/66/12/472906612.db2.gz OSUIDMJJYPQBEJ-KBPBESRZSA-N 1 2 349.431 2.817 20 5 EFBDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092399993 472906618 /nfs/dbraw/zinc/90/66/18/472906618.db2.gz OSUIDMJJYPQBEJ-KBPBESRZSA-N 1 2 349.431 2.817 20 5 EFBDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092399994 472906751 /nfs/dbraw/zinc/90/67/51/472906751.db2.gz OSUIDMJJYPQBEJ-ZIAGYGMSSA-N 1 2 349.431 2.817 20 5 EFBDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092399994 472906757 /nfs/dbraw/zinc/90/67/57/472906757.db2.gz OSUIDMJJYPQBEJ-ZIAGYGMSSA-N 1 2 349.431 2.817 20 5 EFBDLO Cc1nn(C)c(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000079936311 472944163 /nfs/dbraw/zinc/94/41/63/472944163.db2.gz LQDNQFXPTPCMQH-UHFFFAOYSA-N 1 2 330.392 2.634 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000121941403 472949845 /nfs/dbraw/zinc/94/98/45/472949845.db2.gz XHDZSYBRRHXMSN-FNORWQNLSA-N 1 2 338.411 2.821 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cnn(C)c1 ZINC000049972185 472968819 /nfs/dbraw/zinc/96/88/19/472968819.db2.gz KBNUNNXMCOPZHQ-NSHDSACASA-N 1 2 342.359 2.571 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cnn(C)c1 ZINC000049972185 472968827 /nfs/dbraw/zinc/96/88/27/472968827.db2.gz KBNUNNXMCOPZHQ-NSHDSACASA-N 1 2 342.359 2.571 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065545038 472973103 /nfs/dbraw/zinc/97/31/03/472973103.db2.gz DJKPBHCTJOONLN-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065545038 472973111 /nfs/dbraw/zinc/97/31/11/472973111.db2.gz DJKPBHCTJOONLN-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO Cc1cc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)on1 ZINC000051153972 473028327 /nfs/dbraw/zinc/02/83/27/473028327.db2.gz BBTLGFMTJBUWPL-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COc2ccccc2)cc1 ZINC000051451843 473049736 /nfs/dbraw/zinc/04/97/36/473049736.db2.gz YNBGYFNNTKJLSC-MRXNPFEDSA-N 1 2 339.351 2.898 20 5 EFBDLO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000080585055 473050933 /nfs/dbraw/zinc/05/09/33/473050933.db2.gz AAMVYYDYGIUXHG-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000080585055 473050938 /nfs/dbraw/zinc/05/09/38/473050938.db2.gz AAMVYYDYGIUXHG-MRXNPFEDSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000080582955 473051366 /nfs/dbraw/zinc/05/13/66/473051366.db2.gz ONHVHRONOXCRTN-MRXNPFEDSA-N 1 2 337.445 2.523 20 5 EFBDLO Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074727227 473053268 /nfs/dbraw/zinc/05/32/68/473053268.db2.gz WGXPPYPMEOLMKG-MRXNPFEDSA-N 1 2 342.399 2.784 20 5 EFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000051532249 473054771 /nfs/dbraw/zinc/05/47/71/473054771.db2.gz WDBPDHLDTCBAGP-UHFFFAOYSA-N 1 2 329.356 2.544 20 5 EFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000051532249 473054777 /nfs/dbraw/zinc/05/47/77/473054777.db2.gz WDBPDHLDTCBAGP-UHFFFAOYSA-N 1 2 329.356 2.544 20 5 EFBDLO Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000051593577 473059717 /nfs/dbraw/zinc/05/97/17/473059717.db2.gz IONGUSKKDGPUNU-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cccn2cc(CCNc3nc4sccn4c3[N+](=O)[O-])[nH+]c12 ZINC000080691232 473069583 /nfs/dbraw/zinc/06/95/83/473069583.db2.gz MMAFHFBYWVFIPH-UHFFFAOYSA-N 1 2 342.384 2.915 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000051865376 473070384 /nfs/dbraw/zinc/07/03/84/473070384.db2.gz ZELXVTZWARXEPP-UHFFFAOYSA-N 1 2 348.790 2.534 20 5 EFBDLO CCOC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338396 473088720 /nfs/dbraw/zinc/08/87/20/473088720.db2.gz CVUPGGVDZHKYNT-UHFFFAOYSA-N 1 2 330.340 2.923 20 5 EFBDLO CCOC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338396 473088730 /nfs/dbraw/zinc/08/87/30/473088730.db2.gz CVUPGGVDZHKYNT-UHFFFAOYSA-N 1 2 330.340 2.923 20 5 EFBDLO COC(=O)c1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338210 473089137 /nfs/dbraw/zinc/08/91/37/473089137.db2.gz LNRVRICTJUCKPF-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338210 473089144 /nfs/dbraw/zinc/08/91/44/473089144.db2.gz LNRVRICTJUCKPF-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO CC1(C)C[NH+]=C(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)S1 ZINC000081016967 473131261 /nfs/dbraw/zinc/13/12/61/473131261.db2.gz SCVCSEDNNMRTDN-UHFFFAOYSA-N 1 2 340.474 2.655 20 5 EFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052750199 473142770 /nfs/dbraw/zinc/14/27/70/473142770.db2.gz YOKJCBBGJGMOBV-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000052750076 473143685 /nfs/dbraw/zinc/14/36/85/473143685.db2.gz PSPXAKPBAOGECV-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000052835586 473153130 /nfs/dbraw/zinc/15/31/30/473153130.db2.gz DKDCPSRDDCITPH-KRWDZBQOSA-N 1 2 343.358 2.797 20 5 EFBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000052835586 473153134 /nfs/dbraw/zinc/15/31/34/473153134.db2.gz DKDCPSRDDCITPH-KRWDZBQOSA-N 1 2 343.358 2.797 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000125608669 473434428 /nfs/dbraw/zinc/43/44/28/473434428.db2.gz MDCIPWQRFKVIKH-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000125608669 473434436 /nfs/dbraw/zinc/43/44/36/473434436.db2.gz MDCIPWQRFKVIKH-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000125844318 473464072 /nfs/dbraw/zinc/46/40/72/473464072.db2.gz ZYNSXPSFNJSANF-WFASDCNBSA-N 1 2 328.372 2.823 20 5 EFBDLO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178075600 473464598 /nfs/dbraw/zinc/46/45/98/473464598.db2.gz ZQMDTITVBFUGBN-INIZCTEOSA-N 1 2 338.371 2.811 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccncc1 ZINC000178075766 473464647 /nfs/dbraw/zinc/46/46/47/473464647.db2.gz ZZRTVKALQFXNPK-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccncc1 ZINC000178075766 473464649 /nfs/dbraw/zinc/46/46/49/473464649.db2.gz ZZRTVKALQFXNPK-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000114491290 473476582 /nfs/dbraw/zinc/47/65/82/473476582.db2.gz YUWNHWUUCSBFEB-UHFFFAOYSA-N 1 2 335.301 2.613 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126313420 473506931 /nfs/dbraw/zinc/50/69/31/473506931.db2.gz ZOGHZEVZGNNOTR-IAQYHMDHSA-N 1 2 332.335 2.654 20 5 EFBDLO COCC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191240495 473515249 /nfs/dbraw/zinc/51/52/49/473515249.db2.gz FGQPWFFAPKJBQG-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191240495 473515254 /nfs/dbraw/zinc/51/52/54/473515254.db2.gz FGQPWFFAPKJBQG-UHFFFAOYSA-N 1 2 331.372 2.647 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000178724279 473548385 /nfs/dbraw/zinc/54/83/85/473548385.db2.gz KJMHZGZLNCIFAM-LLVKDONJSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000178724279 473548390 /nfs/dbraw/zinc/54/83/90/473548390.db2.gz KJMHZGZLNCIFAM-LLVKDONJSA-N 1 2 347.371 2.964 20 5 EFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237902 473557041 /nfs/dbraw/zinc/55/70/41/473557041.db2.gz WHYWAMDXHKIOKP-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237902 473557044 /nfs/dbraw/zinc/55/70/44/473557044.db2.gz WHYWAMDXHKIOKP-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170689437 473588554 /nfs/dbraw/zinc/58/85/54/473588554.db2.gz DLODRHHEGKIGQM-OAHLLOKOSA-N 1 2 340.383 2.720 20 5 EFBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000170689437 473588561 /nfs/dbraw/zinc/58/85/61/473588561.db2.gz DLODRHHEGKIGQM-OAHLLOKOSA-N 1 2 340.383 2.720 20 5 EFBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191993156 473599678 /nfs/dbraw/zinc/59/96/78/473599678.db2.gz HKORVFIXDFMQIX-ZDUSSCGKSA-N 1 2 335.404 2.527 20 5 EFBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191993156 473599681 /nfs/dbraw/zinc/59/96/81/473599681.db2.gz 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C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289785512 474426663 /nfs/dbraw/zinc/42/66/63/474426663.db2.gz MAFAYEIQCFMTJF-NSHDSACASA-N 1 2 327.331 2.535 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289972385 474508793 /nfs/dbraw/zinc/50/87/93/474508793.db2.gz XHCMMFAUHGTOMM-KCXAZCMYSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289972385 474508799 /nfs/dbraw/zinc/50/87/99/474508799.db2.gz XHCMMFAUHGTOMM-KCXAZCMYSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289974743 474510696 /nfs/dbraw/zinc/51/06/96/474510696.db2.gz XJRQJIJXPGNDRQ-DAXOMENPSA-N 1 2 347.415 2.811 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289974743 474510702 /nfs/dbraw/zinc/51/07/02/474510702.db2.gz XJRQJIJXPGNDRQ-DAXOMENPSA-N 1 2 347.415 2.811 20 5 EFBDLO CCc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000266931049 474534184 /nfs/dbraw/zinc/53/41/84/474534184.db2.gz NFEBEOUIYXNCLI-UHFFFAOYSA-N 1 2 328.372 2.548 20 5 EFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000266933914 474536358 /nfs/dbraw/zinc/53/63/58/474536358.db2.gz OFTPJHDBEHAXMQ-UHFFFAOYSA-N 1 2 343.383 2.708 20 5 EFBDLO COCC[NH+](CCOC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290087495 474553351 /nfs/dbraw/zinc/55/33/51/474553351.db2.gz VNKDAPRAIGAVJM-UHFFFAOYSA-N 1 2 337.203 2.996 20 5 EFBDLO Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000266987950 474557852 /nfs/dbraw/zinc/55/78/52/474557852.db2.gz TXQHBFUCQVTTDM-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000184622316 474566286 /nfs/dbraw/zinc/56/62/86/474566286.db2.gz JRPRASKNLFCMDH-CYBMUJFWSA-N 1 2 332.429 2.930 20 5 EFBDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000184622296 474566324 /nfs/dbraw/zinc/56/63/24/474566324.db2.gz JRPRASKNLFCMDH-ZDUSSCGKSA-N 1 2 332.429 2.930 20 5 EFBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184682444 474584104 /nfs/dbraw/zinc/58/41/04/474584104.db2.gz ZLTOZSKFGUGROS-WFASDCNBSA-N 1 2 347.371 2.801 20 5 EFBDLO CSc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131414 480115059 /nfs/dbraw/zinc/11/50/59/480115059.db2.gz OYYMMWISOFUJGQ-CYBMUJFWSA-N 1 2 346.412 2.991 20 5 EFBDLO CC(C)(O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284322555 474619157 /nfs/dbraw/zinc/61/91/57/474619157.db2.gz BCJBFFAKVLVNJX-UHFFFAOYSA-N 1 2 343.221 2.876 20 5 EFBDLO CC(C)(O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284322555 474619163 /nfs/dbraw/zinc/61/91/63/474619163.db2.gz BCJBFFAKVLVNJX-UHFFFAOYSA-N 1 2 343.221 2.876 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000250039406 474627067 /nfs/dbraw/zinc/62/70/67/474627067.db2.gz CJMSOQLGNUBPNE-DGCLKSJQSA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000250039406 474627073 /nfs/dbraw/zinc/62/70/73/474627073.db2.gz CJMSOQLGNUBPNE-DGCLKSJQSA-N 1 2 335.404 2.730 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)O1 ZINC000252442576 474659029 /nfs/dbraw/zinc/65/90/29/474659029.db2.gz AOAPJERELQJLBB-RISCZKNCSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)O1 ZINC000252442576 474659033 /nfs/dbraw/zinc/65/90/33/474659033.db2.gz AOAPJERELQJLBB-RISCZKNCSA-N 1 2 332.360 2.644 20 5 EFBDLO Cc1cc(OCC(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000338881673 474698065 /nfs/dbraw/zinc/69/80/65/474698065.db2.gz HLKNBVOLELAMSS-HNNXBMFYSA-N 1 2 332.360 2.519 20 5 EFBDLO CCc1oc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1C(=O)OC ZINC000338934637 474747707 /nfs/dbraw/zinc/74/77/07/474747707.db2.gz QWDISVIHRJOXSF-UHFFFAOYSA-N 1 2 348.355 2.835 20 5 EFBDLO CCOC(=O)c1csc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000293055569 474788715 /nfs/dbraw/zinc/78/87/15/474788715.db2.gz YKOSQCDIYUDRLB-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO CCOC(=O)c1csc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000293055569 474788719 /nfs/dbraw/zinc/78/87/19/474788719.db2.gz YKOSQCDIYUDRLB-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000292060218 474827041 /nfs/dbraw/zinc/82/70/41/474827041.db2.gz BPFGSSZCVIRNIG-LBPRGKRZSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000292060218 474827051 /nfs/dbraw/zinc/82/70/51/474827051.db2.gz BPFGSSZCVIRNIG-LBPRGKRZSA-N 1 2 347.371 2.964 20 5 EFBDLO CCOC(=O)c1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000268154296 474831439 /nfs/dbraw/zinc/83/14/39/474831439.db2.gz LQJBYPAVLCZILB-UHFFFAOYSA-N 1 2 330.344 2.691 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000312897570 474853333 /nfs/dbraw/zinc/85/33/33/474853333.db2.gz XMTTUFGHPOUNAT-ZDUSSCGKSA-N 1 2 343.221 2.950 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000312897570 474853337 /nfs/dbraw/zinc/85/33/37/474853337.db2.gz XMTTUFGHPOUNAT-ZDUSSCGKSA-N 1 2 343.221 2.950 20 5 EFBDLO Cc1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000337287516 474862122 /nfs/dbraw/zinc/86/21/22/474862122.db2.gz HLQQZQJOOGQRBW-UHFFFAOYSA-N 1 2 329.341 2.798 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000339053507 474882070 /nfs/dbraw/zinc/88/20/70/474882070.db2.gz AVIRARHSEWOESA-QWHCGFSZSA-N 1 2 334.294 2.578 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000339053507 474882076 /nfs/dbraw/zinc/88/20/76/474882076.db2.gz AVIRARHSEWOESA-QWHCGFSZSA-N 1 2 334.294 2.578 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000339074435 474904734 /nfs/dbraw/zinc/90/47/34/474904734.db2.gz MLYHTGXIPOWYAP-UHFFFAOYSA-N 1 2 328.324 2.808 20 5 EFBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292218673 474909878 /nfs/dbraw/zinc/90/98/78/474909878.db2.gz UVLYFGXVFSHWNV-ZYHUDNBSSA-N 1 2 345.321 2.626 20 5 EFBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292218673 474909884 /nfs/dbraw/zinc/90/98/84/474909884.db2.gz UVLYFGXVFSHWNV-ZYHUDNBSSA-N 1 2 345.321 2.626 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278925601 474920477 /nfs/dbraw/zinc/92/04/77/474920477.db2.gz JFKSSVAYTCVIOZ-UHFFFAOYSA-N 1 2 344.371 2.740 20 5 EFBDLO Cc1cc(N2CCOC[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273491563 474927595 /nfs/dbraw/zinc/92/75/95/474927595.db2.gz PHJXIKYHPBLSHE-MRXNPFEDSA-N 1 2 340.383 2.975 20 5 EFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1Br ZINC000341079583 474950112 /nfs/dbraw/zinc/95/01/12/474950112.db2.gz XSIIOKJQLZCMBY-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1ccccc1 ZINC000285296489 474961914 /nfs/dbraw/zinc/96/19/14/474961914.db2.gz KTYHXFHCNBBEQP-UHFFFAOYSA-N 1 2 348.424 2.543 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1ccccc1 ZINC000285296489 474961923 /nfs/dbraw/zinc/96/19/23/474961923.db2.gz KTYHXFHCNBBEQP-UHFFFAOYSA-N 1 2 348.424 2.543 20 5 EFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268436240 474978211 /nfs/dbraw/zinc/97/82/11/474978211.db2.gz FZBJVZUBKMDLQT-GUYCJALGSA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268436240 474978219 /nfs/dbraw/zinc/97/82/19/474978219.db2.gz FZBJVZUBKMDLQT-GUYCJALGSA-N 1 2 330.388 2.637 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293434668 474979981 /nfs/dbraw/zinc/97/99/81/474979981.db2.gz SSPGVAVWXBBRRS-LLVKDONJSA-N 1 2 347.396 2.795 20 5 EFBDLO Cc1nc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268443926 474982236 /nfs/dbraw/zinc/98/22/36/474982236.db2.gz DOJQNPXVJLWFQJ-GFCCVEGCSA-N 1 2 343.387 2.530 20 5 EFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000273613502 474991957 /nfs/dbraw/zinc/99/19/57/474991957.db2.gz MNQFPWSSQSYXKG-UHFFFAOYSA-N 1 2 342.403 2.523 20 5 EFBDLO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339231035 475061208 /nfs/dbraw/zinc/06/12/08/475061208.db2.gz MQTHOUILILFIFC-HUUCEWRRSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC000339231035 475061214 /nfs/dbraw/zinc/06/12/14/475061214.db2.gz MQTHOUILILFIFC-HUUCEWRRSA-N 1 2 335.404 2.731 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000268957914 475093707 /nfs/dbraw/zinc/09/37/07/475093707.db2.gz GWJUKPJMYVFVCW-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000268957914 475093716 /nfs/dbraw/zinc/09/37/16/475093716.db2.gz GWJUKPJMYVFVCW-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000268993623 475117521 /nfs/dbraw/zinc/11/75/21/475117521.db2.gz NBMWTSNLKMPKCD-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000268993623 475117528 /nfs/dbraw/zinc/11/75/28/475117528.db2.gz NBMWTSNLKMPKCD-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000292690065 475152353 /nfs/dbraw/zinc/15/23/53/475152353.db2.gz NLLZKIQNANVMJM-LBPRGKRZSA-N 1 2 344.371 2.867 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000345390643 475152737 /nfs/dbraw/zinc/15/27/37/475152737.db2.gz OCHFZIHYLTTWCR-UHFFFAOYSA-N 1 2 328.332 2.707 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269105288 475174089 /nfs/dbraw/zinc/17/40/89/475174089.db2.gz QERVXMGOCOVHIY-UHFFFAOYSA-N 1 2 330.388 2.618 20 5 EFBDLO CC(C)(CCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[N+](=O)[O-] ZINC000296104547 475197681 /nfs/dbraw/zinc/19/76/81/475197681.db2.gz UNIKCWDOWAFIQS-UHFFFAOYSA-N 1 2 341.371 2.969 20 5 EFBDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000341688268 475223865 /nfs/dbraw/zinc/22/38/65/475223865.db2.gz IYYXRGCNRRZXBK-MEBBXXQBSA-N 1 2 346.362 2.838 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000341712271 475243570 /nfs/dbraw/zinc/24/35/70/475243570.db2.gz NNJQRILWGDUTQX-OAHLLOKOSA-N 1 2 340.339 2.956 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000341723728 475251773 /nfs/dbraw/zinc/25/17/73/475251773.db2.gz XXIXTLGZXYPBHC-OAHLLOKOSA-N 1 2 339.355 2.691 20 5 EFBDLO CNc1c(C(=O)NCc2cn3c(cccc3C)[nH+]2)cccc1[N+](=O)[O-] ZINC000361201170 475266461 /nfs/dbraw/zinc/26/64/61/475266461.db2.gz NMLRKWYOILEMFO-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000341751234 475272064 /nfs/dbraw/zinc/27/20/64/475272064.db2.gz QIBOVCYGZURLLX-UHFFFAOYSA-N 1 2 328.250 2.575 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375087 475276950 /nfs/dbraw/zinc/27/69/50/475276950.db2.gz ZBEIUKOHDLMYKQ-SSUFTNFISA-N 1 2 340.445 2.753 20 5 EFBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375087 475276957 /nfs/dbraw/zinc/27/69/57/475276957.db2.gz ZBEIUKOHDLMYKQ-SSUFTNFISA-N 1 2 340.445 2.753 20 5 EFBDLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000339542749 475290110 /nfs/dbraw/zinc/29/01/10/475290110.db2.gz ZTQQPZOUTNZLBC-TZMCWYRMSA-N 1 2 343.387 2.588 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000347429476 475312060 /nfs/dbraw/zinc/31/20/60/475312060.db2.gz ZRZOGGISHVLBJK-BDAKNGLRSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000347429476 475312067 /nfs/dbraw/zinc/31/20/67/475312067.db2.gz ZRZOGGISHVLBJK-BDAKNGLRSA-N 1 2 343.225 2.590 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296437139 475315107 /nfs/dbraw/zinc/31/51/07/475315107.db2.gz SVLPZJOIYFCISW-CYBMUJFWSA-N 1 2 329.360 2.943 20 5 EFBDLO C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1n1cc[nH+]c1 ZINC000347456606 475315712 /nfs/dbraw/zinc/31/57/12/475315712.db2.gz WQRPUKUXDVYIGU-IUODEOHRSA-N 1 2 338.371 2.822 20 5 EFBDLO C[C@H]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358038248 475353671 /nfs/dbraw/zinc/35/36/71/475353671.db2.gz NQHCDRNVKSRROW-QWHCGFSZSA-N 1 2 328.372 2.947 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)ccc1F ZINC000352539140 475394568 /nfs/dbraw/zinc/39/45/68/475394568.db2.gz UMOMKDQDFDGPGQ-UHFFFAOYSA-N 1 2 349.337 2.986 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)ccc1F ZINC000352539140 475394576 /nfs/dbraw/zinc/39/45/76/475394576.db2.gz UMOMKDQDFDGPGQ-UHFFFAOYSA-N 1 2 349.337 2.986 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccn2cc[nH+]c2c1 ZINC000354789511 475412111 /nfs/dbraw/zinc/41/21/11/475412111.db2.gz RLUACRPDGFKUSM-UHFFFAOYSA-N 1 2 349.350 2.514 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800502 475421202 /nfs/dbraw/zinc/42/12/02/475421202.db2.gz FDBAQNODJVSVEJ-LQYUOIDQSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800502 475421212 /nfs/dbraw/zinc/42/12/12/475421212.db2.gz FDBAQNODJVSVEJ-LQYUOIDQSA-N 1 2 344.371 2.930 20 5 EFBDLO CCc1ccc([C@H]([NH2+]Cc2cnnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000352587638 475439926 /nfs/dbraw/zinc/43/99/26/475439926.db2.gz CKAXVGQEWJVDMY-QGZVFWFLSA-N 1 2 341.371 2.758 20 5 EFBDLO COC(=O)c1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352620904 475465543 /nfs/dbraw/zinc/46/55/43/475465543.db2.gz JLIOGWQXNALMBJ-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO COC(=O)c1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352620904 475465548 /nfs/dbraw/zinc/46/55/48/475465548.db2.gz JLIOGWQXNALMBJ-UHFFFAOYSA-N 1 2 342.351 2.776 20 5 EFBDLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000296983722 475563018 /nfs/dbraw/zinc/56/30/18/475563018.db2.gz XXXQVWMSFOSQLE-ZDUSSCGKSA-N 1 2 331.376 2.584 20 5 EFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000361586135 475571473 /nfs/dbraw/zinc/57/14/73/475571473.db2.gz LEWYZSOCWRANRT-UHFFFAOYSA-N 1 2 325.368 2.882 20 5 EFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000361586135 475571477 /nfs/dbraw/zinc/57/14/77/475571477.db2.gz LEWYZSOCWRANRT-UHFFFAOYSA-N 1 2 325.368 2.882 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000348314393 475584457 /nfs/dbraw/zinc/58/44/57/475584457.db2.gz BDRJTKCJWNUFAS-SNVBAGLBSA-N 1 2 333.319 2.557 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000332351483 475610111 /nfs/dbraw/zinc/61/01/11/475610111.db2.gz HEOOKWPPKBNIOW-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782981 475622498 /nfs/dbraw/zinc/62/24/98/475622498.db2.gz GZXQVHLPLMUDMH-CQSZACIVSA-N 1 2 325.328 2.508 20 5 EFBDLO CCOC(=O)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000355047586 475623925 /nfs/dbraw/zinc/62/39/25/475623925.db2.gz FTMYTQDBSKIDCK-UABRLCRWSA-N 1 2 348.399 2.556 20 5 EFBDLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348526692 475726662 /nfs/dbraw/zinc/72/66/62/475726662.db2.gz VTSVRWSMCHJGKN-KRWDZBQOSA-N 1 2 337.379 2.931 20 5 EFBDLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348526692 475726668 /nfs/dbraw/zinc/72/66/68/475726668.db2.gz VTSVRWSMCHJGKN-KRWDZBQOSA-N 1 2 337.379 2.931 20 5 EFBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000353205688 475770118 /nfs/dbraw/zinc/77/01/18/475770118.db2.gz PRMPTVGRZLLVDR-VIFPVBQESA-N 1 2 336.298 2.557 20 5 EFBDLO CC(C)(C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000340123195 475775512 /nfs/dbraw/zinc/77/55/12/475775512.db2.gz NKGWAORNNKMQMJ-UHFFFAOYSA-N 1 2 338.367 2.837 20 5 EFBDLO Cc1nc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000355255782 475781780 /nfs/dbraw/zinc/78/17/80/475781780.db2.gz GAASRHUXSKHTCE-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(F)ccc(O)c3F)CC2)n1 ZINC000353230736 475788814 /nfs/dbraw/zinc/78/88/14/475788814.db2.gz IEIMKRTYECIIJZ-UHFFFAOYSA-N 1 2 338.314 2.612 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000355291942 475803941 /nfs/dbraw/zinc/80/39/41/475803941.db2.gz PRHHUMOXCQKDKP-UHFFFAOYSA-N 1 2 325.328 2.683 20 5 EFBDLO CCN1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000355333094 475837121 /nfs/dbraw/zinc/83/71/21/475837121.db2.gz PIXDBXSNFMSQSD-UABRLCRWSA-N 1 2 341.415 2.710 20 5 EFBDLO CCN1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000355333094 475837127 /nfs/dbraw/zinc/83/71/27/475837127.db2.gz PIXDBXSNFMSQSD-UABRLCRWSA-N 1 2 341.415 2.710 20 5 EFBDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192580 475843818 /nfs/dbraw/zinc/84/38/18/475843818.db2.gz NVCIAIXFJDQIFG-RISCZKNCSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192580 475843826 /nfs/dbraw/zinc/84/38/26/475843826.db2.gz NVCIAIXFJDQIFG-RISCZKNCSA-N 1 2 348.321 2.881 20 5 EFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340247885 475887428 /nfs/dbraw/zinc/88/74/28/475887428.db2.gz QJBLXJKFUCJBOL-INIZCTEOSA-N 1 2 341.346 2.774 20 5 EFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340249090 475888628 /nfs/dbraw/zinc/88/86/28/475888628.db2.gz YANULFLFXZLKSQ-CQSZACIVSA-N 1 2 329.385 2.696 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000353391567 475932139 /nfs/dbraw/zinc/93/21/39/475932139.db2.gz DAKSHWOQEXFKJL-HOTGVXAUSA-N 1 2 330.388 2.576 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000353474517 476000512 /nfs/dbraw/zinc/00/05/12/476000512.db2.gz UVMOTVXRIOEUIK-KRWDZBQOSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000353474517 476000517 /nfs/dbraw/zinc/00/05/17/476000517.db2.gz UVMOTVXRIOEUIK-KRWDZBQOSA-N 1 2 343.358 2.971 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000343388731 476012793 /nfs/dbraw/zinc/01/27/93/476012793.db2.gz LEPYXLPEMSUPDX-OAHLLOKOSA-N 1 2 332.360 2.544 20 5 EFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000358911187 476033675 /nfs/dbraw/zinc/03/36/75/476033675.db2.gz VCPXVTZSDGYIDB-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353531279 476050502 /nfs/dbraw/zinc/05/05/02/476050502.db2.gz NZSQELIXLFYSMR-HZPDHXFCSA-N 1 2 346.431 2.804 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000355789665 476061485 /nfs/dbraw/zinc/06/14/85/476061485.db2.gz FCSQNMOFZQTQCQ-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000355789665 476061494 /nfs/dbraw/zinc/06/14/94/476061494.db2.gz FCSQNMOFZQTQCQ-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cc1cc(N[C@H]2CCO[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340567908 476110811 /nfs/dbraw/zinc/11/08/11/476110811.db2.gz CMJBVRPLHBAIQL-RDJZCZTQSA-N 1 2 340.383 2.762 20 5 EFBDLO COC1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000338733002 476145150 /nfs/dbraw/zinc/14/51/50/476145150.db2.gz RWXGISLLZUXLEZ-UHFFFAOYSA-N 1 2 349.431 2.798 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000353668031 476172836 /nfs/dbraw/zinc/17/28/36/476172836.db2.gz DZVMFQLGJWNPLB-AWEZNQCLSA-N 1 2 348.321 2.883 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000353668031 476172845 /nfs/dbraw/zinc/17/28/45/476172845.db2.gz DZVMFQLGJWNPLB-AWEZNQCLSA-N 1 2 348.321 2.883 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000344314627 476242526 /nfs/dbraw/zinc/24/25/26/476242526.db2.gz LVTBHQUYEPTJJF-UHFFFAOYSA-N 1 2 339.355 2.718 20 5 EFBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]2C ZINC000359636259 476254503 /nfs/dbraw/zinc/25/45/03/476254503.db2.gz NZVKLAAHYJEIPO-NWDGAFQWSA-N 1 2 330.388 2.845 20 5 EFBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]2C ZINC000359636259 476254510 /nfs/dbraw/zinc/25/45/10/476254510.db2.gz NZVKLAAHYJEIPO-NWDGAFQWSA-N 1 2 330.388 2.845 20 5 EFBDLO C[N@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000350590287 476257241 /nfs/dbraw/zinc/25/72/41/476257241.db2.gz CTUVHQIJJCUBGB-GFCCVEGCSA-N 1 2 334.401 2.506 20 5 EFBDLO C[N@@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000350590287 476257246 /nfs/dbraw/zinc/25/72/46/476257246.db2.gz CTUVHQIJJCUBGB-GFCCVEGCSA-N 1 2 334.401 2.506 20 5 EFBDLO Cc1cc(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350594928 476257881 /nfs/dbraw/zinc/25/78/81/476257881.db2.gz LDABGRJRKFTREI-CYBMUJFWSA-N 1 2 348.428 2.814 20 5 EFBDLO Cc1cc(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350594928 476257887 /nfs/dbraw/zinc/25/78/87/476257887.db2.gz LDABGRJRKFTREI-CYBMUJFWSA-N 1 2 348.428 2.814 20 5 EFBDLO CCCCCOC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337044776 476277969 /nfs/dbraw/zinc/27/79/69/476277969.db2.gz OKSBLKKVGABNFI-UHFFFAOYSA-N 1 2 335.404 2.814 20 5 EFBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000353877835 476309537 /nfs/dbraw/zinc/30/95/37/476309537.db2.gz WHRUENZGYQFJPN-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000353877835 476309542 /nfs/dbraw/zinc/30/95/42/476309542.db2.gz WHRUENZGYQFJPN-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCO3)no2)cc1-n1cc[nH+]c1 ZINC000351052783 476328209 /nfs/dbraw/zinc/32/82/09/476328209.db2.gz DGHBVJLHQBXGBV-ZDUSSCGKSA-N 1 2 327.300 2.682 20 5 EFBDLO CCOc1cc(N2CC[NH+](Cc3cnoc3C)CC2)ccc1[N+](=O)[O-] ZINC000360716886 476350804 /nfs/dbraw/zinc/35/08/04/476350804.db2.gz ANWMAZFGDRTEAX-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354095485 476421556 /nfs/dbraw/zinc/42/15/56/476421556.db2.gz BMRRQBUEALMAAL-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354095485 476421562 /nfs/dbraw/zinc/42/15/62/476421562.db2.gz BMRRQBUEALMAAL-INIZCTEOSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354099034 476424528 /nfs/dbraw/zinc/42/45/28/476424528.db2.gz APQPVNWRKGVHSO-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354099034 476424534 /nfs/dbraw/zinc/42/45/34/476424534.db2.gz APQPVNWRKGVHSO-MRXNPFEDSA-N 1 2 343.383 2.955 20 5 EFBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c(OC)c1 ZINC000363568046 476442209 /nfs/dbraw/zinc/44/22/09/476442209.db2.gz NMVUFRSAZYYDNX-CQSZACIVSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c(OC)c1 ZINC000363568046 476442215 /nfs/dbraw/zinc/44/22/15/476442215.db2.gz NMVUFRSAZYYDNX-CQSZACIVSA-N 1 2 346.387 2.683 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000362951254 476499470 /nfs/dbraw/zinc/49/94/70/476499470.db2.gz LOEKLZWJPUTIEG-LBPRGKRZSA-N 1 2 338.371 2.934 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3csc([N+](=O)[O-])c3)n2)c1 ZINC000362964487 476506806 /nfs/dbraw/zinc/50/68/06/476506806.db2.gz UZEXJKPIDPPEIE-SNVBAGLBSA-N 1 2 344.400 2.996 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000364039977 476508738 /nfs/dbraw/zinc/50/87/38/476508738.db2.gz YNBVXBLHKYNGBP-JTQLQIEISA-N 1 2 338.165 2.817 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NCC3CC3)[nH+]cn1)CCO2 ZINC000357815647 476625386 /nfs/dbraw/zinc/62/53/86/476625386.db2.gz WAIGTNDWBPQEES-UHFFFAOYSA-N 1 2 341.371 2.606 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NCC3CC3)nc[nH+]1)CCO2 ZINC000357815647 476625392 /nfs/dbraw/zinc/62/53/92/476625392.db2.gz WAIGTNDWBPQEES-UHFFFAOYSA-N 1 2 341.371 2.606 20 5 EFBDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000361146862 476634594 /nfs/dbraw/zinc/63/45/94/476634594.db2.gz LINNYGIMGQZBJE-AWEZNQCLSA-N 1 2 346.387 2.501 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000370037810 476643269 /nfs/dbraw/zinc/64/32/69/476643269.db2.gz OUISNDQPISLHRT-UHFFFAOYSA-N 1 2 333.367 2.544 20 5 EFBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000370055511 476650698 /nfs/dbraw/zinc/65/06/98/476650698.db2.gz KBGYLLKOFWGGIK-ZDUSSCGKSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000370055511 476650700 /nfs/dbraw/zinc/65/07/00/476650700.db2.gz KBGYLLKOFWGGIK-ZDUSSCGKSA-N 1 2 346.387 2.683 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000365775623 476691983 /nfs/dbraw/zinc/69/19/83/476691983.db2.gz XSENJHZAPMBKCM-UHFFFAOYSA-N 1 2 332.385 2.559 20 5 EFBDLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc([N+](=O)[O-])c1C ZINC000456837196 476756630 /nfs/dbraw/zinc/75/66/30/476756630.db2.gz KJVGBKJDFDMDFK-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000430199552 476779020 /nfs/dbraw/zinc/77/90/20/476779020.db2.gz CCFNMFXEWVATLT-JSGCOSHPSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000430199552 476779024 /nfs/dbraw/zinc/77/90/24/476779024.db2.gz CCFNMFXEWVATLT-JSGCOSHPSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000430199553 476779489 /nfs/dbraw/zinc/77/94/89/476779489.db2.gz CCFNMFXEWVATLT-OCCSQVGLSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000430199553 476779494 /nfs/dbraw/zinc/77/94/94/476779494.db2.gz CCFNMFXEWVATLT-OCCSQVGLSA-N 1 2 348.321 2.881 20 5 EFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000430207143 476780234 /nfs/dbraw/zinc/78/02/34/476780234.db2.gz QFPAIKVNKZEYAN-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000430207143 476780240 /nfs/dbraw/zinc/78/02/40/476780240.db2.gz QFPAIKVNKZEYAN-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000370434977 476809363 /nfs/dbraw/zinc/80/93/63/476809363.db2.gz UVWVHZAWHYBYDL-LLVKDONJSA-N 1 2 334.401 2.627 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000370434977 476809372 /nfs/dbraw/zinc/80/93/72/476809372.db2.gz UVWVHZAWHYBYDL-LLVKDONJSA-N 1 2 334.401 2.627 20 5 EFBDLO Cn1c(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000446098849 476828097 /nfs/dbraw/zinc/82/80/97/476828097.db2.gz GGASGHLHTCYAMC-UHFFFAOYSA-N 1 2 343.318 2.643 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436416 476836613 /nfs/dbraw/zinc/83/66/13/476836613.db2.gz KYJBGSUOVFUODX-HOCLYGCPSA-N 1 2 348.399 2.564 20 5 EFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000375436416 476836618 /nfs/dbraw/zinc/83/66/18/476836618.db2.gz KYJBGSUOVFUODX-HOCLYGCPSA-N 1 2 348.399 2.564 20 5 EFBDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737923 476912856 /nfs/dbraw/zinc/91/28/56/476912856.db2.gz CWWDUTHMTLLEDI-SFHVURJKSA-N 1 2 339.395 2.782 20 5 EFBDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446737923 476912863 /nfs/dbraw/zinc/91/28/63/476912863.db2.gz CWWDUTHMTLLEDI-SFHVURJKSA-N 1 2 339.395 2.782 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452331863 476918684 /nfs/dbraw/zinc/91/86/84/476918684.db2.gz FPRICMNEIZFAGY-UHFFFAOYSA-N 1 2 332.385 2.858 20 5 EFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452337307 476921326 /nfs/dbraw/zinc/92/13/26/476921326.db2.gz ZIXHOXDBOHGSKN-UHFFFAOYSA-N 1 2 325.328 2.861 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430924745 476936738 /nfs/dbraw/zinc/93/67/38/476936738.db2.gz JDDIRICRRYUVMM-MRXNPFEDSA-N 1 2 344.415 2.552 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430924745 476936748 /nfs/dbraw/zinc/93/67/48/476936748.db2.gz JDDIRICRRYUVMM-MRXNPFEDSA-N 1 2 344.415 2.552 20 5 EFBDLO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408417641 476951585 /nfs/dbraw/zinc/95/15/85/476951585.db2.gz ZQXYANULPNGAGK-GUTXKFCHSA-N 1 2 347.415 2.778 20 5 EFBDLO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408417641 476951591 /nfs/dbraw/zinc/95/15/91/476951591.db2.gz ZQXYANULPNGAGK-GUTXKFCHSA-N 1 2 347.415 2.778 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000452452089 476971682 /nfs/dbraw/zinc/97/16/82/476971682.db2.gz NEPFYPMXTMWSNS-OAHLLOKOSA-N 1 2 346.362 2.620 20 5 EFBDLO C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000416065636 477008218 /nfs/dbraw/zinc/00/82/18/477008218.db2.gz HMLKGROTJWYJSJ-UPJWGTAASA-N 1 2 328.372 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCC2(CC2)C1 ZINC000447804562 477059984 /nfs/dbraw/zinc/05/99/84/477059984.db2.gz FYXYJSITCALHHJ-UHFFFAOYSA-N 1 2 331.416 2.807 20 5 EFBDLO COCCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447813622 477063571 /nfs/dbraw/zinc/06/35/71/477063571.db2.gz STAXRAUDQNHDBW-UHFFFAOYSA-N 1 2 349.431 2.656 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCCOC2)O1 ZINC000366579420 477078705 /nfs/dbraw/zinc/07/87/05/477078705.db2.gz QWGQGLFSPWZSLG-PXAZEXFGSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCCOC2)O1 ZINC000366579420 477078709 /nfs/dbraw/zinc/07/87/09/477078709.db2.gz QWGQGLFSPWZSLG-PXAZEXFGSA-N 1 2 347.371 2.506 20 5 EFBDLO COc1c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000452840427 477103659 /nfs/dbraw/zinc/10/36/59/477103659.db2.gz GCAUWJOHBNCKIG-AWEZNQCLSA-N 1 2 344.371 2.560 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376019267 477133742 /nfs/dbraw/zinc/13/37/42/477133742.db2.gz OJGVGEXINNABOO-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376019267 477133752 /nfs/dbraw/zinc/13/37/52/477133752.db2.gz OJGVGEXINNABOO-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000432049925 477144036 /nfs/dbraw/zinc/14/40/36/477144036.db2.gz XJMRDYKXEOTPRF-GJZGRUSLSA-N 1 2 349.431 2.931 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000453182913 477187194 /nfs/dbraw/zinc/18/71/94/477187194.db2.gz SWUSCOSYGAMKPZ-CQSZACIVSA-N 1 2 342.399 2.870 20 5 EFBDLO O=C(NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448637773 477228134 /nfs/dbraw/zinc/22/81/34/477228134.db2.gz JJJNKUBZNFIYHK-UHFFFAOYSA-N 1 2 326.356 2.699 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000453595778 477245749 /nfs/dbraw/zinc/24/57/49/477245749.db2.gz HXOLXEGTIGKSKJ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000453595778 477245754 /nfs/dbraw/zinc/24/57/54/477245754.db2.gz HXOLXEGTIGKSKJ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO Cc1cc(N(C)CCCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432927477 477285772 /nfs/dbraw/zinc/28/57/72/477285772.db2.gz HPFRARAMKUMPNO-UHFFFAOYSA-N 1 2 330.388 2.959 20 5 EFBDLO CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448836474 477309906 /nfs/dbraw/zinc/30/99/06/477309906.db2.gz PBRSQTSTLIIISN-UHFFFAOYSA-N 1 2 342.277 2.805 20 5 EFBDLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000371429716 477313839 /nfs/dbraw/zinc/31/38/39/477313839.db2.gz GPFZPUAYKRHVNS-CYBMUJFWSA-N 1 2 349.778 2.747 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nccc(OC)n2)cc1[N+](=O)[O-] ZINC000424311694 477366801 /nfs/dbraw/zinc/36/68/01/477366801.db2.gz VBKQZTZXFKFTGH-NSHDSACASA-N 1 2 332.360 2.643 20 5 EFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000435989981 477403442 /nfs/dbraw/zinc/40/34/42/477403442.db2.gz NCMWBOXWKKMLQM-LBPRGKRZSA-N 1 2 331.376 2.517 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000454861651 477407697 /nfs/dbraw/zinc/40/76/97/477407697.db2.gz WPNKCYSKKGICII-UHFFFAOYSA-N 1 2 328.372 2.914 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412394703 477419980 /nfs/dbraw/zinc/41/99/80/477419980.db2.gz FWSQYBSVBZHOPK-BYCMXARLSA-N 1 2 328.372 2.792 20 5 EFBDLO CC(C)(CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000436267938 477452728 /nfs/dbraw/zinc/45/27/28/477452728.db2.gz FLELDJHMPGKARH-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO CC(C)(C)C(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413035001 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/nfs/dbraw/zinc/01/26/08/478012608.db2.gz CGVALQQDTHLSSN-UHFFFAOYSA-N 1 2 342.351 2.629 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000533070442 478030970 /nfs/dbraw/zinc/03/09/70/478030970.db2.gz QHNQTTBZCCDICX-CABCVRRESA-N 1 2 341.358 2.928 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533072512 478031277 /nfs/dbraw/zinc/03/12/77/478031277.db2.gz AHIRHJAYTRCNOA-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533072512 478031281 /nfs/dbraw/zinc/03/12/81/478031281.db2.gz AHIRHJAYTRCNOA-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO O=C1[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459759596 478077693 /nfs/dbraw/zinc/07/76/93/478077693.db2.gz SYBCOYFRHJRECY-KRWDZBQOSA-N 1 2 341.342 2.855 20 5 EFBDLO O=C1[C@@H]([N@H+]2Cc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459759596 478077699 /nfs/dbraw/zinc/07/76/99/478077699.db2.gz SYBCOYFRHJRECY-KRWDZBQOSA-N 1 2 341.342 2.855 20 5 EFBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533427740 478078546 /nfs/dbraw/zinc/07/85/46/478078546.db2.gz YOAARZVRTHBKIE-LLVKDONJSA-N 1 2 343.358 2.952 20 5 EFBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533427740 478078554 /nfs/dbraw/zinc/07/85/54/478078554.db2.gz YOAARZVRTHBKIE-LLVKDONJSA-N 1 2 343.358 2.952 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451553156 478090316 /nfs/dbraw/zinc/09/03/16/478090316.db2.gz XQVCHVCWTLAMFG-AWEZNQCLSA-N 1 2 344.371 2.709 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451553156 478090324 /nfs/dbraw/zinc/09/03/24/478090324.db2.gz XQVCHVCWTLAMFG-AWEZNQCLSA-N 1 2 344.371 2.709 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533532548 478093489 /nfs/dbraw/zinc/09/34/89/478093489.db2.gz UACFXESGSBHMOK-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533532548 478093496 /nfs/dbraw/zinc/09/34/96/478093496.db2.gz UACFXESGSBHMOK-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574147 478103207 /nfs/dbraw/zinc/10/32/07/478103207.db2.gz RFTOEPMQFFMPJJ-IINYFYTJSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574147 478103215 /nfs/dbraw/zinc/10/32/15/478103215.db2.gz RFTOEPMQFFMPJJ-IINYFYTJSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c[nH+]1 ZINC000534325674 478143821 /nfs/dbraw/zinc/14/38/21/478143821.db2.gz UXNMCDSIEWIAID-UHFFFAOYSA-N 1 2 326.356 2.619 20 5 EFBDLO C[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000534341749 478147071 /nfs/dbraw/zinc/14/70/71/478147071.db2.gz TZSPSACKKYEPSO-UHFFFAOYSA-N 1 2 327.388 2.617 20 5 EFBDLO C[N@@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000534341749 478147075 /nfs/dbraw/zinc/14/70/75/478147075.db2.gz TZSPSACKKYEPSO-UHFFFAOYSA-N 1 2 327.388 2.617 20 5 EFBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000534336149 478147818 /nfs/dbraw/zinc/14/78/18/478147818.db2.gz RVBSVOJGECZWKF-UHFFFAOYSA-N 1 2 331.416 2.772 20 5 EFBDLO CO[C@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1OC ZINC000488555256 478161526 /nfs/dbraw/zinc/16/15/26/478161526.db2.gz HGKCGBHJAIKKBO-GJZGRUSLSA-N 1 2 349.412 2.564 20 5 EFBDLO Cc1ccoc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000488700902 478172376 /nfs/dbraw/zinc/17/23/76/478172376.db2.gz KEYYXIVXPBZIQI-UHFFFAOYSA-N 1 2 331.372 2.941 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762202 478194103 /nfs/dbraw/zinc/19/41/03/478194103.db2.gz WFGOVEWAYHTBKJ-HSZRJFAPSA-N 1 2 340.445 2.727 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762202 478194106 /nfs/dbraw/zinc/19/41/06/478194106.db2.gz WFGOVEWAYHTBKJ-HSZRJFAPSA-N 1 2 340.445 2.727 20 5 EFBDLO COc1coc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1=O ZINC000441251974 478203837 /nfs/dbraw/zinc/20/38/37/478203837.db2.gz INSLCVJLCPRSIH-UHFFFAOYSA-N 1 2 330.340 2.721 20 5 EFBDLO COc1coc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1=O ZINC000441251974 478203841 /nfs/dbraw/zinc/20/38/41/478203841.db2.gz INSLCVJLCPRSIH-UHFFFAOYSA-N 1 2 330.340 2.721 20 5 EFBDLO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000535757704 478227979 /nfs/dbraw/zinc/22/79/79/478227979.db2.gz VYJADPNTQWEEJQ-UHFFFAOYSA-N 1 2 345.355 2.623 20 5 EFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)cc1OC ZINC000536574681 478259543 /nfs/dbraw/zinc/25/95/43/478259543.db2.gz KSXWCFJAGMAAKG-UHFFFAOYSA-N 1 2 345.355 2.688 20 5 EFBDLO O=C(NCC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000562530284 478262760 /nfs/dbraw/zinc/26/27/60/478262760.db2.gz IAZDUWXCPHZOMZ-UHFFFAOYSA-N 1 2 340.383 2.947 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000590758722 478324718 /nfs/dbraw/zinc/32/47/18/478324718.db2.gz YWXUGGOCNMYXTR-OAHLLOKOSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000590758722 478324724 /nfs/dbraw/zinc/32/47/24/478324724.db2.gz YWXUGGOCNMYXTR-OAHLLOKOSA-N 1 2 335.429 2.669 20 5 EFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000523747801 478387781 /nfs/dbraw/zinc/38/77/81/478387781.db2.gz KLGUAROJEXIZOX-OAHLLOKOSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000523747801 478387793 /nfs/dbraw/zinc/38/77/93/478387793.db2.gz KLGUAROJEXIZOX-OAHLLOKOSA-N 1 2 349.434 2.839 20 5 EFBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000594508189 478417590 /nfs/dbraw/zinc/41/75/90/478417590.db2.gz BQJYUMGJULGITL-HNNXBMFYSA-N 1 2 344.419 2.894 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594512636 478420137 /nfs/dbraw/zinc/42/01/37/478420137.db2.gz VESSMZYDSKSFEP-PINLSGDHSA-N 1 2 343.387 2.758 20 5 EFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594512636 478420147 /nfs/dbraw/zinc/42/01/47/478420147.db2.gz VESSMZYDSKSFEP-PINLSGDHSA-N 1 2 343.387 2.758 20 5 EFBDLO Cc1cc(N(C[C@H](C)O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594599809 478459333 /nfs/dbraw/zinc/45/93/33/478459333.db2.gz NIRNOBBKXYTKTQ-LBPRGKRZSA-N 1 2 328.372 2.710 20 5 EFBDLO Cn1cc(C[C@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000591150954 478475513 /nfs/dbraw/zinc/47/55/13/478475513.db2.gz ZFXVAHABOIIVSQ-CYBMUJFWSA-N 1 2 337.383 2.946 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000591149602 478475544 /nfs/dbraw/zinc/47/55/44/478475544.db2.gz NHGAQCPBJUUVNR-CVEARBPZSA-N 1 2 329.356 2.527 20 5 EFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCCOC2)O1 ZINC000591157977 478478731 /nfs/dbraw/zinc/47/87/31/478478731.db2.gz DBTVYGPUTMMYJF-FZKQIMNGSA-N 1 2 343.383 2.917 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000491235843 478481456 /nfs/dbraw/zinc/48/14/56/478481456.db2.gz DMEQJQAXMCJHNI-AATRIKPKSA-N 1 2 336.351 2.881 20 5 EFBDLO O=[N+]([O-])c1ccc(CO)c(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000600782452 478519788 /nfs/dbraw/zinc/51/97/88/478519788.db2.gz LHQBLUSXLDGPKQ-HNNXBMFYSA-N 1 2 329.356 2.740 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491353442 478521033 /nfs/dbraw/zinc/52/10/33/478521033.db2.gz WLCHWAVTQMHIEX-RQOWECAXSA-N 1 2 344.346 2.876 20 5 EFBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000563355780 478529500 /nfs/dbraw/zinc/52/95/00/478529500.db2.gz FASNRJZNVNJWPE-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000563355780 478529504 /nfs/dbraw/zinc/52/95/04/478529504.db2.gz FASNRJZNVNJWPE-LLVKDONJSA-N 1 2 347.375 2.616 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220433 478541198 /nfs/dbraw/zinc/54/11/98/478541198.db2.gz UBEUYLVRQYPGHF-BLLLJJGKSA-N 1 2 340.387 2.751 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220433 478541208 /nfs/dbraw/zinc/54/12/08/478541208.db2.gz UBEUYLVRQYPGHF-BLLLJJGKSA-N 1 2 340.387 2.751 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000582223492 478542896 /nfs/dbraw/zinc/54/28/96/478542896.db2.gz CONOMXDWRDBRDX-UHFFFAOYSA-N 1 2 345.428 2.646 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000597940890 478587281 /nfs/dbraw/zinc/58/72/81/478587281.db2.gz MJSVKHWIDWFVJF-UHFFFAOYSA-N 1 2 332.385 2.582 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940313 478588035 /nfs/dbraw/zinc/58/80/35/478588035.db2.gz IJABHUPLJSMORP-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000600990738 478600673 /nfs/dbraw/zinc/60/06/73/478600673.db2.gz VLVAERVZNQZKIQ-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000594996602 478622128 /nfs/dbraw/zinc/62/21/28/478622128.db2.gz SVQGHZLVUYSKNP-CQSZACIVSA-N 1 2 338.310 2.705 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000595003310 478625253 /nfs/dbraw/zinc/62/52/53/478625253.db2.gz GTBVYFYLDFCKPD-GFCCVEGCSA-N 1 2 345.403 2.772 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000595013916 478630351 /nfs/dbraw/zinc/63/03/51/478630351.db2.gz RNFQIPQOHXZTJC-SNVBAGLBSA-N 1 2 336.417 2.977 20 5 EFBDLO C[C@H]1COCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845298 478648508 /nfs/dbraw/zinc/64/85/08/478648508.db2.gz KIQATAQVHGSXNC-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000595049924 478641666 /nfs/dbraw/zinc/64/16/66/478641666.db2.gz KSJLJYVYGHZXCC-GFCCVEGCSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845298 478648502 /nfs/dbraw/zinc/64/85/02/478648502.db2.gz KIQATAQVHGSXNC-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO CC1(C)C[C@H]([NH2+]Cc2nc(C(N)=O)cs2)c2cc([N+](=O)[O-])ccc21 ZINC000595089098 478656701 /nfs/dbraw/zinc/65/67/01/478656701.db2.gz YEWRBNZISFRCSD-LBPRGKRZSA-N 1 2 346.412 2.662 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000491858858 478711514 /nfs/dbraw/zinc/71/15/14/478711514.db2.gz JSMDGHCTNBEUKH-VURMDHGXSA-N 1 2 344.346 2.761 20 5 EFBDLO Cc1noc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1[N+](=O)[O-] ZINC000595288978 478714647 /nfs/dbraw/zinc/71/46/47/478714647.db2.gz CXAYEMMCJUYKFE-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595287765 478715211 /nfs/dbraw/zinc/71/52/11/478715211.db2.gz HWPYQDSAWAJGAP-LBPRGKRZSA-N 1 2 333.344 2.553 20 5 EFBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595287765 478715218 /nfs/dbraw/zinc/71/52/18/478715218.db2.gz HWPYQDSAWAJGAP-LBPRGKRZSA-N 1 2 333.344 2.553 20 5 EFBDLO CCOc1ccccc1N1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595288224 478715921 /nfs/dbraw/zinc/71/59/21/478715921.db2.gz LCNXDMLFACBYPA-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595288325 478716047 /nfs/dbraw/zinc/71/60/47/478716047.db2.gz YUOSIUUJVCMJNZ-GFCCVEGCSA-N 1 2 342.359 2.665 20 5 EFBDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595288325 478716052 /nfs/dbraw/zinc/71/60/52/478716052.db2.gz YUOSIUUJVCMJNZ-GFCCVEGCSA-N 1 2 342.359 2.665 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000595297114 478718654 /nfs/dbraw/zinc/71/86/54/478718654.db2.gz JVOFBEIUMCKCJX-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000595297114 478718658 /nfs/dbraw/zinc/71/86/58/478718658.db2.gz JVOFBEIUMCKCJX-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO Cc1noc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595376145 478754571 /nfs/dbraw/zinc/75/45/71/478754571.db2.gz YRMHWDAFUGGYCH-OAHLLOKOSA-N 1 2 331.372 2.763 20 5 EFBDLO Cc1noc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595376145 478754579 /nfs/dbraw/zinc/75/45/79/478754579.db2.gz YRMHWDAFUGGYCH-OAHLLOKOSA-N 1 2 331.372 2.763 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000595398088 478760388 /nfs/dbraw/zinc/76/03/88/478760388.db2.gz OCMDCOGVXOSGOV-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000564565623 478761706 /nfs/dbraw/zinc/76/17/06/478761706.db2.gz XVRNMPCOMLHVPR-GFCCVEGCSA-N 1 2 341.795 2.686 20 5 EFBDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000564565623 478761710 /nfs/dbraw/zinc/76/17/10/478761710.db2.gz XVRNMPCOMLHVPR-GFCCVEGCSA-N 1 2 341.795 2.686 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595402125 478763213 /nfs/dbraw/zinc/76/32/13/478763213.db2.gz PVANUIGTVNYKDO-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO C[C@H]1C[NH+](CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405386 478763234 /nfs/dbraw/zinc/76/32/34/478763234.db2.gz WYPHZQZYYPOBII-GJZGRUSLSA-N 1 2 333.432 2.668 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592159134 478806182 /nfs/dbraw/zinc/80/61/82/478806182.db2.gz CZLJPCHEOZOHEE-MRXNPFEDSA-N 1 2 334.347 2.956 20 5 EFBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595483847 478812689 /nfs/dbraw/zinc/81/26/89/478812689.db2.gz NRGXIHRKJUGZKD-ZDUSSCGKSA-N 1 2 347.371 2.943 20 5 EFBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595483847 478812700 /nfs/dbraw/zinc/81/27/00/478812700.db2.gz NRGXIHRKJUGZKD-ZDUSSCGKSA-N 1 2 347.371 2.943 20 5 EFBDLO Cc1noc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000595482110 478812788 /nfs/dbraw/zinc/81/27/88/478812788.db2.gz HYBNNNAFFXHLHV-UHFFFAOYSA-N 1 2 343.343 2.616 20 5 EFBDLO Cc1noc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000595482110 478812795 /nfs/dbraw/zinc/81/27/95/478812795.db2.gz HYBNNNAFFXHLHV-UHFFFAOYSA-N 1 2 343.343 2.616 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194137 478822134 /nfs/dbraw/zinc/82/21/34/478822134.db2.gz OTFMPOLJBOINAM-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194137 478822139 /nfs/dbraw/zinc/82/21/39/478822139.db2.gz OTFMPOLJBOINAM-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598466108 478837776 /nfs/dbraw/zinc/83/77/76/478837776.db2.gz XOCVZUQQUHRTHK-GXTWGEPZSA-N 1 2 330.388 2.774 20 5 EFBDLO COC(=O)C1([N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000595545743 478847705 /nfs/dbraw/zinc/84/77/05/478847705.db2.gz GJAPEULUIUBDOZ-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO COC(=O)C1([N@@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000595545743 478847711 /nfs/dbraw/zinc/84/77/11/478847711.db2.gz GJAPEULUIUBDOZ-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595591063 478873503 /nfs/dbraw/zinc/87/35/03/478873503.db2.gz CRJITKURZIHAEF-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595591063 478873509 /nfs/dbraw/zinc/87/35/09/478873509.db2.gz CRJITKURZIHAEF-UHFFFAOYSA-N 1 2 325.166 2.712 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CCC2 ZINC000492204764 478874437 /nfs/dbraw/zinc/87/44/37/478874437.db2.gz NZXSOXWOULLGRI-ZPIQOJFGSA-N 1 2 340.383 2.807 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CCC2 ZINC000492204455 478874571 /nfs/dbraw/zinc/87/45/71/478874571.db2.gz KJJPDBQCPHJDGZ-WHLNPGIBSA-N 1 2 340.383 2.807 20 5 EFBDLO C[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC000492255233 478894771 /nfs/dbraw/zinc/89/47/71/478894771.db2.gz BJMXZMHMGKOFJL-LBPRGKRZSA-N 1 2 335.404 2.866 20 5 EFBDLO C[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC000492255233 478894774 /nfs/dbraw/zinc/89/47/74/478894774.db2.gz BJMXZMHMGKOFJL-LBPRGKRZSA-N 1 2 335.404 2.866 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598633473 478936369 /nfs/dbraw/zinc/93/63/69/478936369.db2.gz AEVUDMRBVJMZIU-IUODEOHRSA-N 1 2 342.399 2.815 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794056 478942079 /nfs/dbraw/zinc/94/20/79/478942079.db2.gz JZSAKVAIUCGZOA-BBRMVZONSA-N 1 2 338.429 2.557 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794056 478942085 /nfs/dbraw/zinc/94/20/85/478942085.db2.gz JZSAKVAIUCGZOA-BBRMVZONSA-N 1 2 338.429 2.557 20 5 EFBDLO CCOc1cncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000598679616 478966815 /nfs/dbraw/zinc/96/68/15/478966815.db2.gz WSPFWVHUHNMPMI-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO O=C1CCCC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000595820384 479016542 /nfs/dbraw/zinc/01/65/42/479016542.db2.gz WOIPZLITBMTRSD-UHFFFAOYSA-N 1 2 328.372 2.806 20 5 EFBDLO COc1cc(C[NH2+]Cc2ccno2)c([N+](=O)[O-])cc1OCC(F)F ZINC000546308303 479017765 /nfs/dbraw/zinc/01/77/65/479017765.db2.gz NZDWXVCXDMOALZ-UHFFFAOYSA-N 1 2 343.286 2.525 20 5 EFBDLO CC1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000601866944 479048008 /nfs/dbraw/zinc/04/80/08/479048008.db2.gz FRYHFYPZAXLMNB-UHFFFAOYSA-N 1 2 332.335 2.745 20 5 EFBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1=CCSC1 ZINC000595895009 479056241 /nfs/dbraw/zinc/05/62/41/479056241.db2.gz ATCDJHMYGVNICJ-UHFFFAOYSA-N 1 2 332.385 2.750 20 5 EFBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1=CCSC1 ZINC000595895009 479056250 /nfs/dbraw/zinc/05/62/50/479056250.db2.gz ATCDJHMYGVNICJ-UHFFFAOYSA-N 1 2 332.385 2.750 20 5 EFBDLO CCN(CC)c1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])c[nH+]1 ZINC000596077648 479125425 /nfs/dbraw/zinc/12/54/25/479125425.db2.gz NCXXMOQLLOPSHD-UHFFFAOYSA-N 1 2 335.795 2.918 20 5 EFBDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])s1 ZINC000596089650 479132090 /nfs/dbraw/zinc/13/20/90/479132090.db2.gz RHTOLNRXKVNLPN-CQSZACIVSA-N 1 2 343.474 2.585 20 5 EFBDLO CCC(=O)N[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599035713 479134378 /nfs/dbraw/zinc/13/43/78/479134378.db2.gz MLKSJQABWKGUNU-CYBMUJFWSA-N 1 2 328.372 2.638 20 5 EFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593057697 479149114 /nfs/dbraw/zinc/14/91/14/479149114.db2.gz HBDXZHRCDMOJHP-DZGCQCFKSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593057697 479149117 /nfs/dbraw/zinc/14/91/17/479149117.db2.gz HBDXZHRCDMOJHP-DZGCQCFKSA-N 1 2 335.404 2.731 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@@H+]3CC(F)F)ccc2c1 ZINC000599134312 479174428 /nfs/dbraw/zinc/17/44/28/479174428.db2.gz SORVHMQGYUGBSS-ZDUSSCGKSA-N 1 2 336.342 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@H+]3CC(F)F)ccc2c1 ZINC000599134312 479174434 /nfs/dbraw/zinc/17/44/34/479174434.db2.gz SORVHMQGYUGBSS-ZDUSSCGKSA-N 1 2 336.342 2.706 20 5 EFBDLO Cc1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000556940632 479240659 /nfs/dbraw/zinc/24/06/59/479240659.db2.gz ANOIYKNMOVUUTD-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](Cc2ccccc2)C1 ZINC000593322305 479295074 /nfs/dbraw/zinc/29/50/74/479295074.db2.gz MAVZKCLFASKAAA-CQSZACIVSA-N 1 2 345.424 2.655 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](Cc2ccccc2)C1 ZINC000593322305 479295082 /nfs/dbraw/zinc/29/50/82/479295082.db2.gz MAVZKCLFASKAAA-CQSZACIVSA-N 1 2 345.424 2.655 20 5 EFBDLO CCc1cc(N[C@H](C)C2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596438230 479295707 /nfs/dbraw/zinc/29/57/07/479295707.db2.gz QLXVTAZBYGSNCN-GFCCVEGCSA-N 1 2 342.399 2.609 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191127 479307422 /nfs/dbraw/zinc/30/74/22/479307422.db2.gz OZHBPTXQCAOFOU-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603250942 479321990 /nfs/dbraw/zinc/32/19/90/479321990.db2.gz MRJQDGWUOPANJP-ZDUSSCGKSA-N 1 2 347.444 2.653 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000611252106 479323215 /nfs/dbraw/zinc/32/32/15/479323215.db2.gz RSNFVSYZKYTDRE-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000611252106 479323219 /nfs/dbraw/zinc/32/32/19/479323219.db2.gz RSNFVSYZKYTDRE-UHFFFAOYSA-N 1 2 337.383 2.793 20 5 EFBDLO CCOc1cc(N(CC[NH+]2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000596517331 479325627 /nfs/dbraw/zinc/32/56/27/479325627.db2.gz MYMRZJRWIATTAY-UHFFFAOYSA-N 1 2 349.431 2.542 20 5 EFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271378 479331536 /nfs/dbraw/zinc/33/15/36/479331536.db2.gz KKETXNXVGZVABH-AWEZNQCLSA-N 1 2 336.388 2.613 20 5 EFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271378 479331542 /nfs/dbraw/zinc/33/15/42/479331542.db2.gz KKETXNXVGZVABH-AWEZNQCLSA-N 1 2 336.388 2.613 20 5 EFBDLO CC[N@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271427 479332459 /nfs/dbraw/zinc/33/24/59/479332459.db2.gz IPPDRKMSRLFOSD-UHFFFAOYSA-N 1 2 329.356 2.783 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271427 479332464 /nfs/dbraw/zinc/33/24/64/479332464.db2.gz IPPDRKMSRLFOSD-UHFFFAOYSA-N 1 2 329.356 2.783 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC(=O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000574768618 479346371 /nfs/dbraw/zinc/34/63/71/479346371.db2.gz MIQNNWVTXKQERV-UHFFFAOYSA-N 1 2 334.372 2.570 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC(=O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000574768618 479346375 /nfs/dbraw/zinc/34/63/75/479346375.db2.gz MIQNNWVTXKQERV-UHFFFAOYSA-N 1 2 334.372 2.570 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)CCc2ccccc2)c(F)c1 ZINC000586764539 479347150 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Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599621772 479355905 /nfs/dbraw/zinc/35/59/05/479355905.db2.gz FHNFWCCLFHHQQS-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599621772 479355909 /nfs/dbraw/zinc/35/59/09/479355909.db2.gz FHNFWCCLFHHQQS-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624235 479357688 /nfs/dbraw/zinc/35/76/88/479357688.db2.gz UNKQXXPGUDGYGM-LLVKDONJSA-N 1 2 339.342 2.604 20 5 EFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624235 479357692 /nfs/dbraw/zinc/35/76/92/479357692.db2.gz UNKQXXPGUDGYGM-LLVKDONJSA-N 1 2 339.342 2.604 20 5 EFBDLO Cn1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602482959 479361210 /nfs/dbraw/zinc/36/12/10/479361210.db2.gz JUIWBIVVXDWCAA-OCAPTIKFSA-N 1 2 346.231 2.501 20 5 EFBDLO Cn1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602482959 479361214 /nfs/dbraw/zinc/36/12/14/479361214.db2.gz JUIWBIVVXDWCAA-OCAPTIKFSA-N 1 2 346.231 2.501 20 5 EFBDLO Cn1cc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602482960 479361525 /nfs/dbraw/zinc/36/15/25/479361525.db2.gz JUIWBIVVXDWCAA-YUMQZZPRSA-N 1 2 346.231 2.501 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000611515130 479401310 /nfs/dbraw/zinc/40/13/10/479401310.db2.gz NOMTVAQKAMWSNM-HNNXBMFYSA-N 1 2 346.431 2.798 20 5 EFBDLO CCc1nn(C)c(CC)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602583003 479409962 /nfs/dbraw/zinc/40/99/62/479409962.db2.gz UCUGMLZZMAKCGD-UHFFFAOYSA-N 1 2 343.387 2.884 20 5 EFBDLO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603628849 479415138 /nfs/dbraw/zinc/41/51/38/479415138.db2.gz IENGRGKESISITQ-UHFFFAOYSA-N 1 2 326.828 2.688 20 5 EFBDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602608471 479421015 /nfs/dbraw/zinc/42/10/15/479421015.db2.gz 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ZINC000602762975 479533700 /nfs/dbraw/zinc/53/37/00/479533700.db2.gz INNZONNWBRWWAA-BBRMVZONSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000602762976 479533840 /nfs/dbraw/zinc/53/38/40/479533840.db2.gz INNZONNWBRWWAA-CJNGLKHVSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000602762976 479533852 /nfs/dbraw/zinc/53/38/52/479533852.db2.gz INNZONNWBRWWAA-CJNGLKHVSA-N 1 2 330.388 2.562 20 5 EFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604525276 479534665 /nfs/dbraw/zinc/53/46/65/479534665.db2.gz FWMSZPHDSIANRA-UHFFFAOYSA-N 1 2 345.321 2.758 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604525276 479534671 /nfs/dbraw/zinc/53/46/71/479534671.db2.gz FWMSZPHDSIANRA-UHFFFAOYSA-N 1 2 345.321 2.758 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000602786592 479552264 /nfs/dbraw/zinc/55/22/64/479552264.db2.gz RLUOOUJGTMPCIS-XJKSGUPXSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000602786592 479552273 /nfs/dbraw/zinc/55/22/73/479552273.db2.gz RLUOOUJGTMPCIS-XJKSGUPXSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000602788805 479554407 /nfs/dbraw/zinc/55/44/07/479554407.db2.gz RKEJOVLPPRGMAR-SNVBAGLBSA-N 1 2 336.342 2.997 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000602788805 479554412 /nfs/dbraw/zinc/55/44/12/479554412.db2.gz RKEJOVLPPRGMAR-SNVBAGLBSA-N 1 2 336.342 2.997 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026353 479555588 /nfs/dbraw/zinc/55/55/88/479555588.db2.gz JRHYYXWZJDMSIL-OAHLLOKOSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026353 479555594 /nfs/dbraw/zinc/55/55/94/479555594.db2.gz JRHYYXWZJDMSIL-OAHLLOKOSA-N 1 2 347.415 2.875 20 5 EFBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823309 479575752 /nfs/dbraw/zinc/57/57/52/479575752.db2.gz CMGLSXSXPQGCBN-AWEZNQCLSA-N 1 2 332.408 2.543 20 5 EFBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823309 479575759 /nfs/dbraw/zinc/57/57/59/479575759.db2.gz CMGLSXSXPQGCBN-AWEZNQCLSA-N 1 2 332.408 2.543 20 5 EFBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000615141344 479614024 /nfs/dbraw/zinc/61/40/24/479614024.db2.gz QAYHUZODDXSOKT-CYBMUJFWSA-N 1 2 334.294 2.844 20 5 EFBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000615141344 479614030 /nfs/dbraw/zinc/61/40/30/479614030.db2.gz QAYHUZODDXSOKT-CYBMUJFWSA-N 1 2 334.294 2.844 20 5 EFBDLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000590216015 479617846 /nfs/dbraw/zinc/61/78/46/479617846.db2.gz JBUDDAROHYUQKE-AWEZNQCLSA-N 1 2 342.399 2.933 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@H]1C1CC1)OCCO2 ZINC000590381005 479636707 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343.358 2.952 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610046724 480231576 /nfs/dbraw/zinc/23/15/76/480231576.db2.gz ZITXCORJGCKBAN-UHFFFAOYSA-N 1 2 330.388 2.711 20 5 EFBDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccnc1 ZINC000617542460 480269029 /nfs/dbraw/zinc/26/90/29/480269029.db2.gz BVXOUTXQSLICNE-UHFFFAOYSA-N 1 2 342.355 2.780 20 5 EFBDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccnc1 ZINC000617542460 480269034 /nfs/dbraw/zinc/26/90/34/480269034.db2.gz BVXOUTXQSLICNE-UHFFFAOYSA-N 1 2 342.355 2.780 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000610310598 480276593 /nfs/dbraw/zinc/27/65/93/480276593.db2.gz IVWIUAWZPVYVPN-UHFFFAOYSA-N 1 2 340.339 2.807 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000610453591 480310110 /nfs/dbraw/zinc/31/01/10/480310110.db2.gz DPFSYHXOUWSRJU-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505382 480324192 /nfs/dbraw/zinc/32/41/92/480324192.db2.gz JSCZUNQPSVNPST-OAHLLOKOSA-N 1 2 329.331 2.780 20 5 EFBDLO NC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505382 480324197 /nfs/dbraw/zinc/32/41/97/480324197.db2.gz JSCZUNQPSVNPST-OAHLLOKOSA-N 1 2 329.331 2.780 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000617709597 480332474 /nfs/dbraw/zinc/33/24/74/480332474.db2.gz LGUXHRKWUGADLP-ZDUSSCGKSA-N 1 2 338.367 2.971 20 5 EFBDLO CC(C)(C)c1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc[nH+]1 ZINC000618174624 480556222 /nfs/dbraw/zinc/55/62/22/480556222.db2.gz YGVBVKIJOGTGIS-UHFFFAOYSA-N 1 2 326.360 2.593 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618285155 480606283 /nfs/dbraw/zinc/60/62/83/480606283.db2.gz GJIPEXQARYDUES-INIZCTEOSA-N 1 2 340.387 2.850 20 5 EFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618285155 480606288 /nfs/dbraw/zinc/60/62/88/480606288.db2.gz GJIPEXQARYDUES-INIZCTEOSA-N 1 2 340.387 2.850 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)nc2c1 ZINC000618287140 480607152 /nfs/dbraw/zinc/60/71/52/480607152.db2.gz GURPGJQEHGCJAN-UHFFFAOYSA-N 1 2 348.366 2.947 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000618288404 480608517 /nfs/dbraw/zinc/60/85/17/480608517.db2.gz BCESRMBKLIMJMJ-UHFFFAOYSA-N 1 2 327.344 2.507 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000618288404 480608525 /nfs/dbraw/zinc/60/85/25/480608525.db2.gz BCESRMBKLIMJMJ-UHFFFAOYSA-N 1 2 327.344 2.507 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000178144122 533738688 /nfs/dbraw/zinc/73/86/88/533738688.db2.gz VRGNVPSUKFXCGV-LBPRGKRZSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000178144122 533738704 /nfs/dbraw/zinc/73/87/04/533738704.db2.gz VRGNVPSUKFXCGV-LBPRGKRZSA-N 1 2 344.820 2.729 20 5 EFBDLO Cc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000154992347 534079997 /nfs/dbraw/zinc/07/99/97/534079997.db2.gz MZSYRZVDMQPYDD-INIZCTEOSA-N 1 2 348.424 2.779 20 5 EFBDLO O=C(C[N@@H+]1CCc2ccsc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000132896646 534550829 /nfs/dbraw/zinc/55/08/29/534550829.db2.gz UBJAXEZRTCNJHP-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO O=C(C[N@H+]1CCc2ccsc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000132896646 534550838 /nfs/dbraw/zinc/55/08/38/534550838.db2.gz UBJAXEZRTCNJHP-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO CCCCc1[nH]c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH+]1 ZINC000065903951 521311400 /nfs/dbraw/zinc/31/14/00/521311400.db2.gz IGLABNJQRNXGDJ-UHFFFAOYSA-N 1 2 342.359 2.649 20 5 EFBDLO CCc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000121278452 523887321 /nfs/dbraw/zinc/88/73/21/523887321.db2.gz DBISGEOTUWVLQS-INIZCTEOSA-N 1 2 341.367 2.846 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccn1 ZINC000181770699 525555751 /nfs/dbraw/zinc/55/57/51/525555751.db2.gz HZZZUTDPAADMHE-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO Cc1c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000120772629 525594676 /nfs/dbraw/zinc/59/46/76/525594676.db2.gz KFYOYRBHIYQPOG-AWEZNQCLSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000153379949 525713375 /nfs/dbraw/zinc/71/33/75/525713375.db2.gz PBOXKPDREMMWSB-OCCSQVGLSA-N 1 2 328.372 2.540 20 5 EFBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(N)=O)c1ccccc1 ZINC000182303629 525755939 /nfs/dbraw/zinc/75/59/39/525755939.db2.gz SCJPYAGYEXASKL-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000068476197 525855834 /nfs/dbraw/zinc/85/58/34/525855834.db2.gz CJMSOQLGNUBPNE-AAEUAGOBSA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000068476197 525855841 /nfs/dbraw/zinc/85/58/41/525855841.db2.gz CJMSOQLGNUBPNE-AAEUAGOBSA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180272110 526079361 /nfs/dbraw/zinc/07/93/61/526079361.db2.gz LGQYAXRDERPELC-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180272110 526079371 /nfs/dbraw/zinc/07/93/71/526079371.db2.gz LGQYAXRDERPELC-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc([N+](=O)[O-])c1 ZINC000121888648 526253558 /nfs/dbraw/zinc/25/35/58/526253558.db2.gz DWXOJPRNYWLCCQ-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171579734 526484291 /nfs/dbraw/zinc/48/42/91/526484291.db2.gz FGFYPPQAKKEWGW-CYBMUJFWSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171579734 526484294 /nfs/dbraw/zinc/48/42/94/526484294.db2.gz FGFYPPQAKKEWGW-CYBMUJFWSA-N 1 2 339.367 2.833 20 5 EFBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000120933545 526491641 /nfs/dbraw/zinc/49/16/41/526491641.db2.gz SLAWEZRVTLBHCG-INIZCTEOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000120933545 526491650 /nfs/dbraw/zinc/49/16/50/526491650.db2.gz SLAWEZRVTLBHCG-INIZCTEOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121194839 526680386 /nfs/dbraw/zinc/68/03/86/526680386.db2.gz JYTBYAAFKFRVCL-CYBMUJFWSA-N 1 2 347.758 2.937 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000192820251 527124624 /nfs/dbraw/zinc/12/46/24/527124624.db2.gz SPWMZMIDUMJXIF-UHFFFAOYSA-N 1 2 348.318 2.577 20 5 EFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000193803712 527357010 /nfs/dbraw/zinc/35/70/10/527357010.db2.gz BKWVXCGQHIURGT-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000193803712 527357017 /nfs/dbraw/zinc/35/70/17/527357017.db2.gz BKWVXCGQHIURGT-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000116602159 527376890 /nfs/dbraw/zinc/37/68/90/527376890.db2.gz MRWKYUVCULIBLT-UHFFFAOYSA-N 1 2 344.352 2.581 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178171388 527423021 /nfs/dbraw/zinc/42/30/21/527423021.db2.gz RXNRIPSXCINRBW-UHFFFAOYSA-N 1 2 337.339 2.830 20 5 EFBDLO CC1(C)[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000174068189 527848970 /nfs/dbraw/zinc/84/89/70/527848970.db2.gz BHZFIYDIAWGYAS-BETUJISGSA-N 1 2 326.356 2.509 20 5 EFBDLO CC(C)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1COC1 ZINC000425446012 535089972 /nfs/dbraw/zinc/08/99/72/535089972.db2.gz AKRQDSOTCZCOSC-UHFFFAOYSA-N 1 2 329.194 2.967 20 5 EFBDLO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1COC1 ZINC000425446012 535089977 /nfs/dbraw/zinc/08/99/77/535089977.db2.gz AKRQDSOTCZCOSC-UHFFFAOYSA-N 1 2 329.194 2.967 20 5 EFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265082307 536090645 /nfs/dbraw/zinc/09/06/45/536090645.db2.gz XTQXNOJPXSKNBG-UHFFFAOYSA-N 1 2 331.328 2.822 20 5 EFBDLO COC(=O)Cc1ccc(NCCc2ccc(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000413343579 536366677 /nfs/dbraw/zinc/36/66/77/536366677.db2.gz AUANBABCDVQWFX-UHFFFAOYSA-N 1 2 329.356 2.668 20 5 EFBDLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000425591349 536526651 /nfs/dbraw/zinc/52/66/51/536526651.db2.gz YQUCSZZNTAGZHN-UHFFFAOYSA-N 1 2 331.328 2.876 20 5 EFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000351978749 536744362 /nfs/dbraw/zinc/74/43/62/536744362.db2.gz ZDHUGZZYQQWIMD-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000351978749 536744369 /nfs/dbraw/zinc/74/43/69/536744369.db2.gz ZDHUGZZYQQWIMD-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351930885 536953951 /nfs/dbraw/zinc/95/39/51/536953951.db2.gz LLKTUTZRMMVVEU-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO Cc1cc(NC[C@@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450838868 546255102 /nfs/dbraw/zinc/25/51/02/546255102.db2.gz QBOSALJRJVYCMQ-GOEBONIOSA-N 1 2 342.399 2.745 20 5 EFBDLO CC[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000672907503 547826363 /nfs/dbraw/zinc/82/63/63/547826363.db2.gz DNOBDRVBLHPBOG-CQSZACIVSA-N 1 2 349.434 2.848 20 5 EFBDLO CC[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000672907503 547826366 /nfs/dbraw/zinc/82/63/66/547826366.db2.gz DNOBDRVBLHPBOG-CQSZACIVSA-N 1 2 349.434 2.848 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000755006435 575528902 /nfs/dbraw/zinc/52/89/02/575528902.db2.gz SKLUJDPXDJUGCY-HNNXBMFYSA-N 1 2 336.388 2.721 20 5 EFBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000755006435 575528904 /nfs/dbraw/zinc/52/89/04/575528904.db2.gz SKLUJDPXDJUGCY-HNNXBMFYSA-N 1 2 336.388 2.721 20 5 EFBDLO CN(C)c1cc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc[nH+]1 ZINC000755884804 575649633 /nfs/dbraw/zinc/64/96/33/575649633.db2.gz DPVNKPFXUYDUHC-UHFFFAOYSA-N 1 2 340.339 2.894 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000756812946 575789070 /nfs/dbraw/zinc/78/90/70/575789070.db2.gz SILCZUZHFCQBEO-HNNXBMFYSA-N 1 2 346.387 2.645 20 5 EFBDLO COCC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000757975369 575857237 /nfs/dbraw/zinc/85/72/37/575857237.db2.gz NYSVTYIYSGQILI-INIZCTEOSA-N 1 2 347.371 2.998 20 5 EFBDLO Cc1cc(F)cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000758452528 575870045 /nfs/dbraw/zinc/87/00/45/575870045.db2.gz LHAVCONNWMAQMP-UHFFFAOYSA-N 1 2 343.358 2.788 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000759148414 575885621 /nfs/dbraw/zinc/88/56/21/575885621.db2.gz SNIMKUZAPJMOEL-UHFFFAOYSA-N 1 2 332.341 2.580 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761046636 576104084 /nfs/dbraw/zinc/10/40/84/576104084.db2.gz UALQBTLAMNMWAN-NXEZZACHSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761046636 576104085 /nfs/dbraw/zinc/10/40/85/576104085.db2.gz UALQBTLAMNMWAN-NXEZZACHSA-N 1 2 331.294 2.806 20 5 EFBDLO Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cn1 ZINC000761917170 576228418 /nfs/dbraw/zinc/22/84/18/576228418.db2.gz CEOFQIUNENNFKD-UHFFFAOYSA-N 1 2 337.299 2.529 20 5 EFBDLO O=[N+]([O-])c1cccc(Cc2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)c1 ZINC000762054485 576250292 /nfs/dbraw/zinc/25/02/92/576250292.db2.gz LVBNYWRIRHYBPY-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000762055933 576250520 /nfs/dbraw/zinc/25/05/20/576250520.db2.gz ZJHHMZHTGUGIIN-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[C@@H]1[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1(C)C ZINC000763212752 576367400 /nfs/dbraw/zinc/36/74/00/576367400.db2.gz PZPKOADTAMPORG-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@@H]1[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1(C)C ZINC000763212752 576367401 /nfs/dbraw/zinc/36/74/01/576367401.db2.gz PZPKOADTAMPORG-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763330203 576372813 /nfs/dbraw/zinc/37/28/13/576372813.db2.gz AEPDZGGHLRGBHC-OAHLLOKOSA-N 1 2 340.383 2.508 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763330203 576372814 /nfs/dbraw/zinc/37/28/14/576372814.db2.gz AEPDZGGHLRGBHC-OAHLLOKOSA-N 1 2 340.383 2.508 20 5 EFBDLO CNc1c(C(=O)OCc2cc(OC)cc(C)[nH+]2)cccc1[N+](=O)[O-] ZINC000765523070 577050796 /nfs/dbraw/zinc/05/07/96/577050796.db2.gz UDIFFXNADRRBHQ-UHFFFAOYSA-N 1 2 331.328 2.706 20 5 EFBDLO COc1cc(CO[NH+]=C(N)c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000766068324 577103661 /nfs/dbraw/zinc/10/36/61/577103661.db2.gz CKCZTFMFWKXOGK-UHFFFAOYSA-N 1 2 337.282 2.928 20 5 EFBDLO CNc1[nH+]c(C)ccc1C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766189094 577119266 /nfs/dbraw/zinc/11/92/66/577119266.db2.gz VNNCUABZXMLZOM-UHFFFAOYSA-N 1 2 349.318 2.845 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCCC[C@H]1CO ZINC000768143296 577257287 /nfs/dbraw/zinc/25/72/87/577257287.db2.gz QYBLIWRDYSPGTN-JTQLQIEISA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCCC[C@H]1CO ZINC000768143296 577257288 /nfs/dbraw/zinc/25/72/88/577257288.db2.gz QYBLIWRDYSPGTN-JTQLQIEISA-N 1 2 329.194 2.704 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000769752373 577382587 /nfs/dbraw/zinc/38/25/87/577382587.db2.gz NPVPVRMUUGLCQW-WUKHSURWSA-N 1 2 340.383 2.748 20 5 EFBDLO Cc1cccn2cc(CC(=O)Oc3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000771487648 581217174 /nfs/dbraw/zinc/21/71/74/581217174.db2.gz BHKTZLGBZGYAIS-UHFFFAOYSA-N 1 2 329.287 2.838 20 5 EFBDLO COc1cccc(N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000772095671 581282271 /nfs/dbraw/zinc/28/22/71/581282271.db2.gz FZWPNOLLDBLTED-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO COc1cccc(N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000772095671 581282274 /nfs/dbraw/zinc/28/22/74/581282274.db2.gz FZWPNOLLDBLTED-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000772156524 581290060 /nfs/dbraw/zinc/29/00/60/581290060.db2.gz RLKINLNFFOEVBX-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000772314954 581306665 /nfs/dbraw/zinc/30/66/65/581306665.db2.gz QJCWJCCVLOFMFM-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000772314954 581306666 /nfs/dbraw/zinc/30/66/66/581306666.db2.gz QJCWJCCVLOFMFM-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO COCC1=CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774644268 581496321 /nfs/dbraw/zinc/49/63/21/581496321.db2.gz LDCCPCSBHOPWFK-UHFFFAOYSA-N 1 2 336.779 2.834 20 5 EFBDLO COCC1=CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774644268 581496322 /nfs/dbraw/zinc/49/63/22/581496322.db2.gz LDCCPCSBHOPWFK-UHFFFAOYSA-N 1 2 336.779 2.834 20 5 EFBDLO C[C@@H](C[C@@H]1CCOC1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774733609 581499393 /nfs/dbraw/zinc/49/93/93/581499393.db2.gz FNWKOWJNKFJXTH-STQMWFEESA-N 1 2 345.355 2.752 20 5 EFBDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821613284 606158285 /nfs/dbraw/zinc/15/82/85/606158285.db2.gz GUXXXBASJSMDAS-UHFFFAOYSA-N 1 2 342.334 2.546 20 5 EFBDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821613284 606158287 /nfs/dbraw/zinc/15/82/87/606158287.db2.gz GUXXXBASJSMDAS-UHFFFAOYSA-N 1 2 342.334 2.546 20 5 EFBDLO C[C@@]1(O)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769468837 1256044841 /nfs/dbraw/zinc/04/48/41/1256044841.db2.gz QIPLWIVSOKYNIT-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@]1(O)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769468837 1256044853 /nfs/dbraw/zinc/04/48/53/1256044853.db2.gz QIPLWIVSOKYNIT-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000742175375 1266118512 /nfs/dbraw/zinc/11/85/12/1266118512.db2.gz ZRZVIHTWSMDOSG-UHFFFAOYSA-N 1 2 328.210 2.889 20 5 EFBDLO O=C(NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001000443582 1261397783 /nfs/dbraw/zinc/39/77/83/1261397783.db2.gz JQWOFUZXNKTTLZ-UHFFFAOYSA-N 1 2 347.396 2.811 20 5 EFBDLO O=C(NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001000443582 1261397788 /nfs/dbraw/zinc/39/77/88/1261397788.db2.gz JQWOFUZXNKTTLZ-UHFFFAOYSA-N 1 2 347.396 2.811 20 5 EFBDLO COc1nc(Cl)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC001116956422 1262092688 /nfs/dbraw/zinc/09/26/88/1262092688.db2.gz AAUHVGKJSCZYQP-UHFFFAOYSA-N 1 2 338.795 2.665 20 5 EFBDLO COc1nc(Cl)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC001116956422 1262092695 /nfs/dbraw/zinc/09/26/95/1262092695.db2.gz AAUHVGKJSCZYQP-UHFFFAOYSA-N 1 2 338.795 2.665 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000843827795 1265062177 /nfs/dbraw/zinc/06/21/77/1265062177.db2.gz XMNJGHTUWHBHMG-IAQYHMDHSA-N 1 2 346.362 2.962 20 5 EFBDLO CC[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738257702 1268420741 /nfs/dbraw/zinc/42/07/41/1268420741.db2.gz XNMZVDOYNSTJBE-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738257702 1268420745 /nfs/dbraw/zinc/42/07/45/1268420745.db2.gz XNMZVDOYNSTJBE-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO Cc1cn(C[N@@H+]2CCC(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743390896 1270562893 /nfs/dbraw/zinc/56/28/93/1270562893.db2.gz PDOBWQSZFDXAGH-UHFFFAOYSA-N 1 2 330.388 2.545 20 5 EFBDLO Cc1cn(C[N@H+]2CCC(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000743390896 1270562899 /nfs/dbraw/zinc/56/28/99/1270562899.db2.gz PDOBWQSZFDXAGH-UHFFFAOYSA-N 1 2 330.388 2.545 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)S1 ZINC000743378427 1270571142 /nfs/dbraw/zinc/57/11/42/1270571142.db2.gz WEYGZHBVIKBCGP-TXEJJXNPSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)S1 ZINC000743378427 1270571155 /nfs/dbraw/zinc/57/11/55/1270571155.db2.gz WEYGZHBVIKBCGP-TXEJJXNPSA-N 1 2 333.417 2.637 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792132741 1278573146 /nfs/dbraw/zinc/57/31/46/1278573146.db2.gz OJKDYBOTRDSVGY-CQSZACIVSA-N 1 2 329.356 2.884 20 5 EFBDLO Cc1csc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000744313306 1270978458 /nfs/dbraw/zinc/97/84/58/1270978458.db2.gz ZXXDRGNWYLDLTB-UHFFFAOYSA-N 1 2 344.352 2.902 20 5 EFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000744470235 1271060167 /nfs/dbraw/zinc/06/01/67/1271060167.db2.gz RKJHAJRUASJADS-UHFFFAOYSA-N 1 2 345.786 2.994 20 5 EFBDLO COc1nc(C)c(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001169003393 1272578918 /nfs/dbraw/zinc/57/89/18/1272578918.db2.gz DTGAZNXXXHWMKG-UHFFFAOYSA-N 1 2 327.344 2.609 20 5 EFBDLO Cc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(N(C)C)[nH+]1 ZINC000792338884 1278748082 /nfs/dbraw/zinc/74/80/82/1278748082.db2.gz YMZAMLOPQCFBAA-UHFFFAOYSA-N 1 2 343.387 2.994 20 5 EFBDLO Cc1cc(NCCCN(C)C(=O)CCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC001109433074 1274269905 /nfs/dbraw/zinc/26/99/05/1274269905.db2.gz XJTMKBAENPCUSD-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001109489701 1274341193 /nfs/dbraw/zinc/34/11/93/1274341193.db2.gz MCNKCSALYIBYJC-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001109652835 1274521412 /nfs/dbraw/zinc/52/14/12/1274521412.db2.gz FBLNXXZMUWOACU-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001109652835 1274521416 /nfs/dbraw/zinc/52/14/16/1274521416.db2.gz FBLNXXZMUWOACU-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785500842 1275100814 /nfs/dbraw/zinc/10/08/14/1275100814.db2.gz RTXSPSUIBOOGOH-UHFFFAOYSA-N 1 2 340.383 2.814 20 5 EFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785500842 1275100818 /nfs/dbraw/zinc/10/08/18/1275100818.db2.gz RTXSPSUIBOOGOH-UHFFFAOYSA-N 1 2 340.383 2.814 20 5 EFBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785836999 1275203556 /nfs/dbraw/zinc/20/35/56/1275203556.db2.gz KTYMRKAHJYRSPU-NXEZZACHSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000785836999 1275203559 /nfs/dbraw/zinc/20/35/59/1275203559.db2.gz KTYMRKAHJYRSPU-NXEZZACHSA-N 1 2 328.210 2.886 20 5 EFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000786811475 1275549423 /nfs/dbraw/zinc/54/94/23/1275549423.db2.gz DIKSPZSWWSVUPI-UHFFFAOYSA-N 1 2 349.416 2.728 20 5 EFBDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662552 1275716388 /nfs/dbraw/zinc/71/63/88/1275716388.db2.gz DOVXVRBAMWQLQB-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662552 1275716394 /nfs/dbraw/zinc/71/63/94/1275716394.db2.gz DOVXVRBAMWQLQB-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OCC ZINC001170305622 1278991706 /nfs/dbraw/zinc/99/17/06/1278991706.db2.gz OFFCTIFBGULBSK-WFASDCNBSA-N 1 2 338.404 2.856 20 5 EFBDLO Cc1ccnc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)n1 ZINC000788477603 1276192467 /nfs/dbraw/zinc/19/24/67/1276192467.db2.gz ISDWRELNUYSDNA-UHFFFAOYSA-N 1 2 349.310 2.596 20 5 EFBDLO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnnn1C1CC1 ZINC000788600626 1276236893 /nfs/dbraw/zinc/23/68/93/1276236893.db2.gz KUJCOKFRMKZIAB-BMIGLBTASA-N 1 2 342.403 2.989 20 5 EFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355520 1279034236 /nfs/dbraw/zinc/03/42/36/1279034236.db2.gz IKAKQVNUMHWIPD-LLVKDONJSA-N 1 2 331.372 2.889 20 5 EFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355520 1279034239 /nfs/dbraw/zinc/03/42/39/1279034239.db2.gz IKAKQVNUMHWIPD-LLVKDONJSA-N 1 2 331.372 2.889 20 5 EFBDLO CCOC(=O)C[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355257 1279034601 /nfs/dbraw/zinc/03/46/01/1279034601.db2.gz YJOHCYTXOGGYMD-GFCCVEGCSA-N 1 2 336.388 2.562 20 5 EFBDLO CCOC(=O)C[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355257 1279034610 /nfs/dbraw/zinc/03/46/10/1279034610.db2.gz YJOHCYTXOGGYMD-GFCCVEGCSA-N 1 2 336.388 2.562 20 5 EFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nn(CC)nc2C)cc1[N+](=O)[O-] ZINC000818344417 1276513384 /nfs/dbraw/zinc/51/33/84/1276513384.db2.gz NFGUOPHFTDYDFG-LLVKDONJSA-N 1 2 333.392 2.764 20 5 EFBDLO COc1ccc(C[C@@H](C)[N@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336174 1279027566 /nfs/dbraw/zinc/02/75/66/1279027566.db2.gz VHYFBUOXNIALDR-GFCCVEGCSA-N 1 2 338.404 2.808 20 5 EFBDLO COc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336174 1279027574 /nfs/dbraw/zinc/02/75/74/1279027574.db2.gz VHYFBUOXNIALDR-GFCCVEGCSA-N 1 2 338.404 2.808 20 5 EFBDLO Cc1ncoc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000820917790 1277352348 /nfs/dbraw/zinc/35/23/48/1277352348.db2.gz JPXCEUGISQJKSA-UHFFFAOYSA-N 1 2 338.283 2.794 20 5 EFBDLO Cc1c(CNc2cccc(CN3CCOCC3)[nH+]2)cccc1[N+](=O)[O-] ZINC000871862579 1287327299 /nfs/dbraw/zinc/32/72/99/1287327299.db2.gz FPXYWZKNUCYJTQ-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO CNc1c(C(=O)OCc2cccc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000793173637 1279420021 /nfs/dbraw/zinc/42/00/21/1279420021.db2.gz PRGSIGCKBRQUJH-UHFFFAOYSA-N 1 2 326.312 2.641 20 5 EFBDLO CCOc1cc(COC(=O)C[C@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000845283780 1279533630 /nfs/dbraw/zinc/53/36/30/1279533630.db2.gz GPRJASQJSCQTGQ-LBPRGKRZSA-N 1 2 333.344 2.885 20 5 EFBDLO C[C@H](CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC000845488858 1279676583 /nfs/dbraw/zinc/67/65/83/1279676583.db2.gz ZPNKLWHIKCYOFB-RDBSUJKOSA-N 1 2 347.375 2.666 20 5 EFBDLO C[C@H](CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC000845488857 1279676637 /nfs/dbraw/zinc/67/66/37/1279676637.db2.gz ZPNKLWHIKCYOFB-MGPQQGTHSA-N 1 2 347.375 2.666 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805828486 1280807041 /nfs/dbraw/zinc/80/70/41/1280807041.db2.gz IXTAOPJXOKIIPA-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805828486 1280807051 /nfs/dbraw/zinc/80/70/51/1280807051.db2.gz IXTAOPJXOKIIPA-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147015846 1281087471 /nfs/dbraw/zinc/08/74/71/1281087471.db2.gz SRMVEHIQHJDWNI-UHFFFAOYSA-N 1 2 337.445 2.881 20 5 EFBDLO CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147015846 1281087478 /nfs/dbraw/zinc/08/74/78/1281087478.db2.gz SRMVEHIQHJDWNI-UHFFFAOYSA-N 1 2 337.445 2.881 20 5 EFBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197797 1281582980 /nfs/dbraw/zinc/58/29/80/1281582980.db2.gz KMIPOJRGPZAPEZ-CVEARBPZSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197797 1281582986 /nfs/dbraw/zinc/58/29/86/1281582986.db2.gz KMIPOJRGPZAPEZ-CVEARBPZSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197805 1281583374 /nfs/dbraw/zinc/58/33/74/1281583374.db2.gz KMIPOJRGPZAPEZ-JKSUJKDBSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197805 1281583381 /nfs/dbraw/zinc/58/33/81/1281583381.db2.gz KMIPOJRGPZAPEZ-JKSUJKDBSA-N 1 2 330.388 2.927 20 5 EFBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001175903061 1287602987 /nfs/dbraw/zinc/60/29/87/1287602987.db2.gz YLHYTGKFKSUQMX-JCVNQNCUSA-N 1 2 326.356 2.644 20 5 EFBDLO Cc1c(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000747833851 1285599037 /nfs/dbraw/zinc/59/90/37/1285599037.db2.gz ZYVFIWBVJBJDGG-INIZCTEOSA-N 1 2 344.415 2.873 20 5 EFBDLO Cc1ncsc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174465 1285705708 /nfs/dbraw/zinc/70/57/08/1285705708.db2.gz UEASEIXEHAIBBZ-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO Cc1ncsc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174465 1285705718 /nfs/dbraw/zinc/70/57/18/1285705718.db2.gz UEASEIXEHAIBBZ-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO COCC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000813994512 1286222233 /nfs/dbraw/zinc/22/22/33/1286222233.db2.gz YVLVSBBHPPLQTH-UHFFFAOYSA-N 1 2 333.344 2.610 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001173227388 1286481704 /nfs/dbraw/zinc/48/17/04/1286481704.db2.gz QJLOFFXLCZIBQK-AWEZNQCLSA-N 1 2 331.416 2.613 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001173227388 1286481707 /nfs/dbraw/zinc/48/17/07/1286481707.db2.gz QJLOFFXLCZIBQK-AWEZNQCLSA-N 1 2 331.416 2.613 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001173227390 1286482300 /nfs/dbraw/zinc/48/23/00/1286482300.db2.gz QJLOFFXLCZIBQK-CQSZACIVSA-N 1 2 331.416 2.613 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001173227390 1286482301 /nfs/dbraw/zinc/48/23/01/1286482301.db2.gz QJLOFFXLCZIBQK-CQSZACIVSA-N 1 2 331.416 2.613 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001173234543 1286484444 /nfs/dbraw/zinc/48/44/44/1286484444.db2.gz RXMYSUWIHKBQDZ-ZDUSSCGKSA-N 1 2 339.386 2.941 20 5 EFBDLO COc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001176359347 1287964198 /nfs/dbraw/zinc/96/41/98/1287964198.db2.gz DJUWYEFUQPVIDI-UHFFFAOYSA-N 1 2 344.371 2.703 20 5 EFBDLO Nc1ccc2n(C(=O)CCn3cc[nH+]c3)c3ccccc3cc-2c1=O ZINC001176878908 1288158967 /nfs/dbraw/zinc/15/89/67/1288158967.db2.gz RTBOMNWLMAAXFX-UHFFFAOYSA-N 1 2 332.363 2.616 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000822479208 1289005566 /nfs/dbraw/zinc/00/55/66/1289005566.db2.gz PHSBBTZJXAEMAC-CQSZACIVSA-N 1 2 342.399 2.965 20 5 EFBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000872773833 1289373572 /nfs/dbraw/zinc/37/35/72/1289373572.db2.gz WXWGPQRYLMEWCM-JTQLQIEISA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000872773833 1289373580 /nfs/dbraw/zinc/37/35/80/1289373580.db2.gz WXWGPQRYLMEWCM-JTQLQIEISA-N 1 2 348.325 2.531 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003384 1289498267 /nfs/dbraw/zinc/49/82/67/1289498267.db2.gz ZGPDMGAUFLAVIZ-AWEZNQCLSA-N 1 2 346.391 2.610 20 5 EFBDLO Cc1c(C[NH2+]Cc2ccccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873132487 1289588076 /nfs/dbraw/zinc/58/80/76/1289588076.db2.gz VNGDXZQQZPYGRV-UHFFFAOYSA-N 1 2 334.397 2.597 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824576950 1289707375 /nfs/dbraw/zinc/70/73/75/1289707375.db2.gz WKENOJYMABNURJ-LLVKDONJSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824576950 1289707382 /nfs/dbraw/zinc/70/73/82/1289707382.db2.gz WKENOJYMABNURJ-LLVKDONJSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824615325 1289729085 /nfs/dbraw/zinc/72/90/85/1289729085.db2.gz DPPZQWSLKJMFJN-GFCCVEGCSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824615325 1289729094 /nfs/dbraw/zinc/72/90/94/1289729094.db2.gz DPPZQWSLKJMFJN-GFCCVEGCSA-N 1 2 341.795 2.911 20 5 EFBDLO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795643246 1290796440 /nfs/dbraw/zinc/79/64/40/1290796440.db2.gz BAZOZKNDPAORGL-HNNXBMFYSA-N 1 2 333.432 2.921 20 5 EFBDLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795643246 1290796449 /nfs/dbraw/zinc/79/64/49/1290796449.db2.gz BAZOZKNDPAORGL-HNNXBMFYSA-N 1 2 333.432 2.921 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CF)C1 ZINC000880295151 1292440034 /nfs/dbraw/zinc/44/00/34/1292440034.db2.gz PLRXSRVFDAJCGR-ZJUUUORDSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CF)C1 ZINC000880295151 1292440041 /nfs/dbraw/zinc/44/00/41/1292440041.db2.gz PLRXSRVFDAJCGR-ZJUUUORDSA-N 1 2 329.759 2.867 20 5 EFBDLO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCn2c[nH+]cc2C1 ZINC000882382247 1293184553 /nfs/dbraw/zinc/18/45/53/1293184553.db2.gz AVNCNDVNRBVBBF-UHFFFAOYSA-N 1 2 341.140 2.713 20 5 EFBDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000886439543 1294969712 /nfs/dbraw/zinc/96/97/12/1294969712.db2.gz ZTVGIZIFMLSBQL-KRWDZBQOSA-N 1 2 340.383 2.945 20 5 EFBDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000886439543 1294969723 /nfs/dbraw/zinc/96/97/23/1294969723.db2.gz ZTVGIZIFMLSBQL-KRWDZBQOSA-N 1 2 340.383 2.945 20 5 EFBDLO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000887105109 1295279848 /nfs/dbraw/zinc/27/98/48/1295279848.db2.gz HLNYGSSPVQTPOV-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000887105109 1295279855 /nfs/dbraw/zinc/27/98/55/1295279855.db2.gz HLNYGSSPVQTPOV-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235858 1296812637 /nfs/dbraw/zinc/81/26/37/1296812637.db2.gz ITBRYSPDQPPHDD-OCCSQVGLSA-N 1 2 343.387 2.588 20 5 EFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927097896 1296988760 /nfs/dbraw/zinc/98/87/60/1296988760.db2.gz WFTPAOMPVRNNNH-UHFFFAOYSA-N 1 2 332.385 2.768 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933258417 1297483342 /nfs/dbraw/zinc/48/33/42/1297483342.db2.gz GGGAFCRWDJFDCU-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(ncn2CC)C1 ZINC000933258417 1297483348 /nfs/dbraw/zinc/48/33/48/1297483348.db2.gz GGGAFCRWDJFDCU-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO Cc1noc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000851946491 1299477836 /nfs/dbraw/zinc/47/78/36/1299477836.db2.gz IVEHCDWDQPHBJL-UHFFFAOYSA-N 1 2 349.362 2.600 20 5 EFBDLO COC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852768615 1299876771 /nfs/dbraw/zinc/87/67/71/1299876771.db2.gz DCNSRBDRLHVPOJ-UHFFFAOYSA-N 1 2 327.768 2.569 20 5 EFBDLO Cc1ccc2c(c1)C[N@@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000853533655 1300152595 /nfs/dbraw/zinc/15/25/95/1300152595.db2.gz MSLWVYINDDYHHJ-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1ccc2c(c1)C[N@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000853533655 1300152600 /nfs/dbraw/zinc/15/26/00/1300152600.db2.gz MSLWVYINDDYHHJ-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853616376 1300194963 /nfs/dbraw/zinc/19/49/63/1300194963.db2.gz VDEQEYHANUIAKI-YPMHNXCESA-N 1 2 341.358 2.832 20 5 EFBDLO Cc1cccc2c1C[N@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794643916 1302850053 /nfs/dbraw/zinc/85/00/53/1302850053.db2.gz CQIMKZREMILXEN-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1cccc2c1C[N@@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794643916 1302850062 /nfs/dbraw/zinc/85/00/62/1302850062.db2.gz CQIMKZREMILXEN-UHFFFAOYSA-N 1 2 339.351 2.827 20 5 EFBDLO Cc1ccccc1C[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615759 1302859222 /nfs/dbraw/zinc/85/92/22/1302859222.db2.gz BVYZKWUNVYQAPS-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1ccccc1C[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615759 1302859231 /nfs/dbraw/zinc/85/92/31/1302859231.db2.gz BVYZKWUNVYQAPS-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO COc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617398 1302860550 /nfs/dbraw/zinc/86/05/50/1302860550.db2.gz XGSOINFWFIHGOD-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617398 1302860566 /nfs/dbraw/zinc/86/05/66/1302860566.db2.gz XGSOINFWFIHGOD-UHFFFAOYSA-N 1 2 343.339 2.601 20 5 EFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000794626541 1302869217 /nfs/dbraw/zinc/86/92/17/1302869217.db2.gz RRUDAJMPDOECPD-CQSZACIVSA-N 1 2 344.371 2.634 20 5 EFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000794626541 1302869234 /nfs/dbraw/zinc/86/92/34/1302869234.db2.gz RRUDAJMPDOECPD-CQSZACIVSA-N 1 2 344.371 2.634 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000794630095 1302873145 /nfs/dbraw/zinc/87/31/45/1302873145.db2.gz CLCZMCMRSAJZGP-FZMZJTMJSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000794630095 1302873155 /nfs/dbraw/zinc/87/31/55/1302873155.db2.gz CLCZMCMRSAJZGP-FZMZJTMJSA-N 1 2 349.412 2.820 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C2CC2)O1 ZINC000794652687 1302902312 /nfs/dbraw/zinc/90/23/12/1302902312.db2.gz JKTQRLAYLJZDIF-UGSOOPFHSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C2CC2)O1 ZINC000794652687 1302902318 /nfs/dbraw/zinc/90/23/18/1302902318.db2.gz JKTQRLAYLJZDIF-UGSOOPFHSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C2CC2)O1 ZINC000794652681 1302903425 /nfs/dbraw/zinc/90/34/25/1302903425.db2.gz JKTQRLAYLJZDIF-ACJLOTCBSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C2CC2)O1 ZINC000794652681 1302903435 /nfs/dbraw/zinc/90/34/35/1302903435.db2.gz JKTQRLAYLJZDIF-ACJLOTCBSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C2CC2)O1 ZINC000794653156 1302903614 /nfs/dbraw/zinc/90/36/14/1302903614.db2.gz CDDMTJAXMWYYGT-ACJLOTCBSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C2CC2)O1 ZINC000794653156 1302903618 /nfs/dbraw/zinc/90/36/18/1302903618.db2.gz CDDMTJAXMWYYGT-ACJLOTCBSA-N 1 2 342.399 2.915 20 5 EFBDLO Cc1cn(C[N@@H+]2CCC(C)=C(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000794890303 1303508159 /nfs/dbraw/zinc/50/81/59/1303508159.db2.gz SIWQVASCJDTTBT-UHFFFAOYSA-N 1 2 342.399 2.855 20 5 EFBDLO Cc1cn(C[N@H+]2CCC(C)=C(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000794890303 1303508163 /nfs/dbraw/zinc/50/81/63/1303508163.db2.gz SIWQVASCJDTTBT-UHFFFAOYSA-N 1 2 342.399 2.855 20 5 EFBDLO CCC(=O)c1ccc(N2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000795103738 1305205069 /nfs/dbraw/zinc/20/50/69/1305205069.db2.gz GUPNQUFTWSJKJY-UHFFFAOYSA-N 1 2 349.431 2.735 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796549388 1306286772 /nfs/dbraw/zinc/28/67/72/1306286772.db2.gz ANIJDYKPWIBZTG-AWEZNQCLSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796549388 1306286778 /nfs/dbraw/zinc/28/67/78/1306286778.db2.gz ANIJDYKPWIBZTG-AWEZNQCLSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796555354 1306354101 /nfs/dbraw/zinc/35/41/01/1306354101.db2.gz RNUWVKOPIQYTRA-GFCCVEGCSA-N 1 2 339.367 2.787 20 5 EFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796555354 1306354113 /nfs/dbraw/zinc/35/41/13/1306354113.db2.gz RNUWVKOPIQYTRA-GFCCVEGCSA-N 1 2 339.367 2.787 20 5 EFBDLO COc1ncc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC001210138962 1314286618 /nfs/dbraw/zinc/28/66/18/1314286618.db2.gz SMUPICQZGXLYKO-UHFFFAOYSA-N 1 2 325.328 2.987 20 5 EFBDLO O=[N+]([O-])CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000901365849 1310239848 /nfs/dbraw/zinc/23/98/48/1310239848.db2.gz SGYUHIHNAQHUFF-UHFFFAOYSA-N 1 2 347.444 2.622 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C[N@@H+]1C ZINC001224205719 1311360878 /nfs/dbraw/zinc/36/08/78/1311360878.db2.gz LZFIQBNNJPLWHA-DYVFJYSZSA-N 1 2 344.367 2.510 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C[N@H+]1C ZINC001224205719 1311360881 /nfs/dbraw/zinc/36/08/81/1311360881.db2.gz LZFIQBNNJPLWHA-DYVFJYSZSA-N 1 2 344.367 2.510 20 5 EFBDLO O=C(NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001159040406 1311439563 /nfs/dbraw/zinc/43/95/63/1311439563.db2.gz CSNHBNYMDDUZSB-UHFFFAOYSA-N 1 2 345.371 2.560 20 5 EFBDLO O=C(NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001159040406 1311439564 /nfs/dbraw/zinc/43/95/64/1311439564.db2.gz CSNHBNYMDDUZSB-UHFFFAOYSA-N 1 2 345.371 2.560 20 5 EFBDLO C[C@H](Oc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225631910 1311556836 /nfs/dbraw/zinc/55/68/36/1311556836.db2.gz ILMVMSLGVSETQE-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225631910 1311556838 /nfs/dbraw/zinc/55/68/38/1311556838.db2.gz ILMVMSLGVSETQE-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCN(C2CCCC2)C1=O ZINC000902264146 1311589336 /nfs/dbraw/zinc/58/93/36/1311589336.db2.gz IERJLEIBIAXDJJ-UHFFFAOYSA-N 1 2 346.431 2.707 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCN(C2CCCC2)C1=O ZINC000902264146 1311589339 /nfs/dbraw/zinc/58/93/39/1311589339.db2.gz IERJLEIBIAXDJJ-UHFFFAOYSA-N 1 2 346.431 2.707 20 5 EFBDLO Cc1ccnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226116687 1311615206 /nfs/dbraw/zinc/61/52/06/1311615206.db2.gz UALGLFPHGTZGKP-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccnc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226116687 1311615208 /nfs/dbraw/zinc/61/52/08/1311615208.db2.gz UALGLFPHGTZGKP-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001226582307 1311692751 /nfs/dbraw/zinc/69/27/51/1311692751.db2.gz JFEFPOUOSXTGPN-ZDUSSCGKSA-N 1 2 327.178 2.830 20 5 EFBDLO CSCC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000902392163 1311704847 /nfs/dbraw/zinc/70/48/47/1311704847.db2.gz FSGPJYKMNBLFTE-UHFFFAOYSA-N 1 2 337.401 2.535 20 5 EFBDLO Cc1cc(Cl)nc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160722754 1311768130 /nfs/dbraw/zinc/76/81/30/1311768130.db2.gz IMUQDVKQTJQRLP-VXGBXAGGSA-N 1 2 340.811 2.617 20 5 EFBDLO CC(C)[N@@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228858086 1312011157 /nfs/dbraw/zinc/01/11/57/1312011157.db2.gz CFLNNCROPYGWMH-VIFPVBQESA-N 1 2 349.309 2.966 20 5 EFBDLO CC(C)[N@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228858086 1312011161 /nfs/dbraw/zinc/01/11/61/1312011161.db2.gz CFLNNCROPYGWMH-VIFPVBQESA-N 1 2 349.309 2.966 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000802783697 1312018404 /nfs/dbraw/zinc/01/84/04/1312018404.db2.gz CAYIOHPSWCIEPG-UHFFFAOYSA-N 1 2 331.372 2.782 20 5 EFBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc(OC)cc2[N+](=O)[O-])c1 ZINC001162130146 1312053073 /nfs/dbraw/zinc/05/30/73/1312053073.db2.gz YSCDTXOHKGGKJT-UHFFFAOYSA-N 1 2 332.360 2.792 20 5 EFBDLO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC001163844826 1312393919 /nfs/dbraw/zinc/39/39/19/1312393919.db2.gz DEYGTQVGGIJQKJ-VMPITWQZSA-N 1 2 339.399 2.529 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082771 1312426297 /nfs/dbraw/zinc/42/62/97/1312426297.db2.gz ZCGWDWHJWXUGRS-LLVKDONJSA-N 1 2 327.344 2.957 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000118953608 1314558033 /nfs/dbraw/zinc/55/80/33/1314558033.db2.gz XQLJLQSYLNWCBF-UHFFFAOYSA-N 1 2 334.351 2.569 20 5 EFBDLO Cc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)c([N+](=O)[O-])c1 ZINC001214167313 1314653529 /nfs/dbraw/zinc/65/35/29/1314653529.db2.gz GBSLQQLIWVGTMA-UHFFFAOYSA-N 1 2 329.360 2.582 20 5 EFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001247511387 1314796165 /nfs/dbraw/zinc/79/61/65/1314796165.db2.gz GYFSGFZJXJZEFP-GFCCVEGCSA-N 1 2 341.302 2.566 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001216481516 1314960378 /nfs/dbraw/zinc/96/03/78/1314960378.db2.gz OZKXOKAUNYWTBX-UHFFFAOYSA-N 1 2 332.335 2.834 20 5 EFBDLO O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]CC2(F)F)c1Br ZINC001218004451 1315131716 /nfs/dbraw/zinc/13/17/16/1315131716.db2.gz DPXWAUYTGRIQIT-VIFPVBQESA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC2(F)F)ccc1C(F)(F)F ZINC001218005858 1315132008 /nfs/dbraw/zinc/13/20/08/1315132008.db2.gz IQLUFYMSGGTTEA-JTQLQIEISA-N 1 2 326.221 2.990 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218174255 1315158501 /nfs/dbraw/zinc/15/85/01/1315158501.db2.gz VQJMIVSGMACOBT-CABCVRRESA-N 1 2 342.351 2.544 20 5 EFBDLO CC(C)CC(=O)N1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560057 1315723218 /nfs/dbraw/zinc/72/32/18/1315723218.db2.gz OWJCSVHJTSXEEV-HNNXBMFYSA-N 1 2 333.432 2.716 20 5 EFBDLO CC(C)CC(=O)N1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560058 1315723643 /nfs/dbraw/zinc/72/36/43/1315723643.db2.gz OWJCSVHJTSXEEV-OAHLLOKOSA-N 1 2 333.432 2.716 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)F)CC1 ZINC001254560267 1315723714 /nfs/dbraw/zinc/72/37/14/1315723714.db2.gz QVMCLKXBBYIRLN-LBPRGKRZSA-N 1 2 331.338 2.706 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC001254564048 1315724035 /nfs/dbraw/zinc/72/40/35/1315724035.db2.gz IAQFDMQZUFTIAV-AWEZNQCLSA-N 1 2 333.432 2.716 20 5 EFBDLO CCOC(=O)C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254580096 1315727068 /nfs/dbraw/zinc/72/70/68/1315727068.db2.gz BNPROTGOJMWTHT-OAHLLOKOSA-N 1 2 332.400 2.918 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039499248 1315844403 /nfs/dbraw/zinc/84/44/03/1315844403.db2.gz ZFPPCAPTTNULGL-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039499248 1315844404 /nfs/dbraw/zinc/84/44/04/1315844404.db2.gz ZFPPCAPTTNULGL-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039499142 1315844515 /nfs/dbraw/zinc/84/45/15/1315844515.db2.gz UCRHRYJPZQUBJV-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039499142 1315844518 /nfs/dbraw/zinc/84/45/18/1315844518.db2.gz UCRHRYJPZQUBJV-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039514217 1315853463 /nfs/dbraw/zinc/85/34/63/1315853463.db2.gz HPGYLUYMDVSHKA-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039514217 1315853467 /nfs/dbraw/zinc/85/34/67/1315853467.db2.gz HPGYLUYMDVSHKA-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO COc1cc(N2CCC([NH2+][C@@H]3CC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC001256082688 1315902883 /nfs/dbraw/zinc/90/28/83/1315902883.db2.gz IZZOHNSTLFEOCB-CQSZACIVSA-N 1 2 327.331 2.569 20 5 EFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001261727736 1316427876 /nfs/dbraw/zinc/42/78/76/1316427876.db2.gz YTUZWHGYRWXMHK-GFCCVEGCSA-N 1 2 346.362 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001262833530 1316494554 /nfs/dbraw/zinc/49/45/54/1316494554.db2.gz ZUGHTLBFMYWOPA-UHFFFAOYSA-N 1 2 342.399 2.965 20 5 EFBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)NCC1CCCCC1 ZINC001318785014 1328698970 /nfs/dbraw/zinc/69/89/70/1328698970.db2.gz PWYXZMKFWKUGTA-UHFFFAOYSA-N 1 2 331.416 2.997 20 5 EFBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)NCC1CCCCC1 ZINC001318785014 1328698980 /nfs/dbraw/zinc/69/89/80/1328698980.db2.gz PWYXZMKFWKUGTA-UHFFFAOYSA-N 1 2 331.416 2.997 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317703158 1328308673 /nfs/dbraw/zinc/30/86/73/1328308673.db2.gz WNKPRFVCDMZKIY-QWHCGFSZSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317703158 1328308682 /nfs/dbraw/zinc/30/86/82/1328308682.db2.gz WNKPRFVCDMZKIY-QWHCGFSZSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001317703154 1328308800 /nfs/dbraw/zinc/30/88/00/1328308800.db2.gz WNKPRFVCDMZKIY-CHWSQXEVSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001317703154 1328308808 /nfs/dbraw/zinc/30/88/08/1328308808.db2.gz WNKPRFVCDMZKIY-CHWSQXEVSA-N 1 2 343.383 2.660 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(C3CCOCC3)o2)ccc1-n1cc[nH+]c1 ZINC001322427390 1329457593 /nfs/dbraw/zinc/45/75/93/1329457593.db2.gz JFBVBXVYQMXOJM-UHFFFAOYSA-N 1 2 341.327 2.725 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(Cc3cccnc3)o2)ccc1-n1cc[nH+]c1 ZINC001322996876 1329503790 /nfs/dbraw/zinc/50/37/90/1329503790.db2.gz QOZCGTVPARHGTJ-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001325412373 1329686512 /nfs/dbraw/zinc/68/65/12/1329686512.db2.gz YOMXHWVMUCFRGE-DZGCQCFKSA-N 1 2 328.372 2.759 20 5 EFBDLO C[C@H]1OCC[C@H]1c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001326565769 1330318325 /nfs/dbraw/zinc/31/83/25/1330318325.db2.gz HFFREKFICQGGNP-ZYHUDNBSSA-N 1 2 341.327 2.723 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001332695010 1331003880 /nfs/dbraw/zinc/00/38/80/1331003880.db2.gz JLGAZLUECBHLKB-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001332695010 1331003876 /nfs/dbraw/zinc/00/38/76/1331003876.db2.gz JLGAZLUECBHLKB-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810034 1331310456 /nfs/dbraw/zinc/31/04/56/1331310456.db2.gz XOSABPABRZCFMS-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810034 1331310450 /nfs/dbraw/zinc/31/04/50/1331310450.db2.gz XOSABPABRZCFMS-ZANVPECISA-N 1 2 329.194 2.560 20 5 EFBDLO CC(C)(CCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC001337376432 1331567074 /nfs/dbraw/zinc/56/70/74/1331567074.db2.gz HNCJAAJLPWJRKN-CQSZACIVSA-N 1 2 339.823 2.648 20 5 EFBDLO Cc1[nH]c(CNc2ncc(Br)cc2[N+](=O)[O-])[nH+]c1C ZINC001338083930 1331647958 /nfs/dbraw/zinc/64/79/58/1331647958.db2.gz LPGPPUNYZOWNTH-UHFFFAOYSA-N 1 2 326.154 2.704 20 5 EFBDLO Cc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc([N+](=O)[O-])c1 ZINC001338521159 1331713502 /nfs/dbraw/zinc/71/35/02/1331713502.db2.gz YUSNDBKGOIFRKC-UHFFFAOYSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1C ZINC001344863218 1332488841 /nfs/dbraw/zinc/48/88/41/1332488841.db2.gz UXXQQLBDLPJOBY-UHFFFAOYSA-N 1 2 341.367 2.900 20 5 EFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCc1cn2c([nH+]1)CCCC2 ZINC001344994084 1332501063 /nfs/dbraw/zinc/50/10/63/1332501063.db2.gz DVCXQGSCTXPOIA-TWGQIWQCSA-N 1 2 341.367 2.927 20 5 EFBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356498368 1335044813 /nfs/dbraw/zinc/04/48/13/1335044813.db2.gz DJYPTRNEODTPAZ-LLVKDONJSA-N 1 2 346.353 2.661 20 5 EFBDLO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001356510013 1335045828 /nfs/dbraw/zinc/04/58/28/1335045828.db2.gz AHBFRZBUSUDFBG-IINYFYTJSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001356510013 1335045831 /nfs/dbraw/zinc/04/58/31/1335045831.db2.gz AHBFRZBUSUDFBG-IINYFYTJSA-N 1 2 346.353 2.660 20 5 EFBDLO Cc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000849194600 1335566656 /nfs/dbraw/zinc/56/66/56/1335566656.db2.gz UHYRHWCZTOSHCY-UHFFFAOYSA-N 1 2 344.352 2.902 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000021319276 713037681 /nfs/dbraw/zinc/03/76/81/713037681.db2.gz OUWQYTSXEKZECN-UHFFFAOYSA-N 1 2 337.383 2.724 20 5 EFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000804797248 713472270 /nfs/dbraw/zinc/47/22/70/713472270.db2.gz LWVYABMZFLLBRY-JTQLQIEISA-N 1 2 328.210 2.888 20 5 EFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000804797248 713472272 /nfs/dbraw/zinc/47/22/72/713472272.db2.gz LWVYABMZFLLBRY-JTQLQIEISA-N 1 2 328.210 2.888 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000178095199 714710587 /nfs/dbraw/zinc/71/05/87/714710587.db2.gz ZLDYFLDIWMNGCZ-UHFFFAOYSA-N 1 2 330.731 2.826 20 5 EFBDLO COc1c(O)ccc(C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000891447905 714711599 /nfs/dbraw/zinc/71/15/99/714711599.db2.gz VZGKMLGFFGPCNN-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO CC(C)=C(F)C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980960165 718006581 /nfs/dbraw/zinc/00/65/81/718006581.db2.gz OWXSBNDRENKYJQ-UHFFFAOYSA-N 1 2 335.379 2.893 20 5 EFBDLO CC(C)=C(F)C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980960165 718006585 /nfs/dbraw/zinc/00/65/85/718006585.db2.gz OWXSBNDRENKYJQ-UHFFFAOYSA-N 1 2 335.379 2.893 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000026900105 715540063 /nfs/dbraw/zinc/54/00/63/715540063.db2.gz UTJVTHVBHQKOPD-GOSISDBHSA-N 1 2 345.374 2.590 20 5 EFBDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029186424 723024632 /nfs/dbraw/zinc/02/46/32/723024632.db2.gz LDLJWQBGCQQSGR-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029186424 723024633 /nfs/dbraw/zinc/02/46/33/723024633.db2.gz LDLJWQBGCQQSGR-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C2CCC2)[nH+]1 ZINC000893546255 716799836 /nfs/dbraw/zinc/79/98/36/716799836.db2.gz RJFMYHTWJMKBBO-UHFFFAOYSA-N 1 2 342.403 2.999 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1C ZINC000895630136 724233139 /nfs/dbraw/zinc/23/31/39/724233139.db2.gz VCJDLNRINYCMEX-UHFFFAOYSA-N 1 2 342.399 2.717 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178058150 718243885 /nfs/dbraw/zinc/24/38/85/718243885.db2.gz KFNOUNNRGHQVQR-UHFFFAOYSA-N 1 2 330.731 2.826 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000728836449 724508151 /nfs/dbraw/zinc/50/81/51/724508151.db2.gz LKIBYLKKGOEVIU-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000728836449 724508152 /nfs/dbraw/zinc/50/81/52/724508152.db2.gz LKIBYLKKGOEVIU-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000981792691 719046750 /nfs/dbraw/zinc/04/67/50/719046750.db2.gz QRXWGFDDMVSRON-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000981792691 719046752 /nfs/dbraw/zinc/04/67/52/719046752.db2.gz QRXWGFDDMVSRON-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000894838553 722883985 /nfs/dbraw/zinc/88/39/85/722883985.db2.gz BVWGKINQUWNGBT-UHFFFAOYSA-N 1 2 348.353 2.633 20 5 EFBDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029195745 723056088 /nfs/dbraw/zinc/05/60/88/723056088.db2.gz AKQYHTZQLNSSEB-CALCHBBNSA-N 1 2 329.400 2.736 20 5 EFBDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029195745 723056089 /nfs/dbraw/zinc/05/60/89/723056089.db2.gz AKQYHTZQLNSSEB-CALCHBBNSA-N 1 2 329.400 2.736 20 5 EFBDLO O=C(/C=C\C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029251856 723180019 /nfs/dbraw/zinc/18/00/19/723180019.db2.gz AMBXHEJGYCRQNX-VTUQDJEPSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(/C=C\C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029251856 723180021 /nfs/dbraw/zinc/18/00/21/723180021.db2.gz AMBXHEJGYCRQNX-VTUQDJEPSA-N 1 2 341.411 2.736 20 5 EFBDLO CCOC(=O)c1cc(N2CCc3c([nH+]cn3CC)C2)ccc1[N+](=O)[O-] ZINC000896660131 723421176 /nfs/dbraw/zinc/42/11/76/723421176.db2.gz RKCBKERNHDDINR-UHFFFAOYSA-N 1 2 344.371 2.551 20 5 EFBDLO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245575 723934754 /nfs/dbraw/zinc/93/47/54/723934754.db2.gz GHMMGXQXLBIJLP-HZMBPMFUSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895245575 723934757 /nfs/dbraw/zinc/93/47/57/723934757.db2.gz GHMMGXQXLBIJLP-HZMBPMFUSA-N 1 2 346.353 2.660 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](n4cc[nH+]c4)C3)cc2N1 ZINC000728567720 724094616 /nfs/dbraw/zinc/09/46/16/724094616.db2.gz XQILCASEKNECOD-ZDUSSCGKSA-N 1 2 341.371 2.518 20 5 EFBDLO Cn1nc(C2CC2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000897223991 724096778 /nfs/dbraw/zinc/09/67/78/724096778.db2.gz DLZDFCBIKOMDFT-UHFFFAOYSA-N 1 2 327.344 2.637 20 5 EFBDLO COCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000835219733 726800387 /nfs/dbraw/zinc/80/03/87/726800387.db2.gz OWFIIGRRVDNVNK-MRXNPFEDSA-N 1 2 347.371 2.998 20 5 EFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652884 727732697 /nfs/dbraw/zinc/73/26/97/727732697.db2.gz LHFHBYSUQUTDNJ-AWEZNQCLSA-N 1 2 340.383 2.723 20 5 EFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156432975 727917280 /nfs/dbraw/zinc/91/72/80/727917280.db2.gz SNGVISDNTUWTQC-GJZGRUSLSA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156432975 727917282 /nfs/dbraw/zinc/91/72/82/727917282.db2.gz SNGVISDNTUWTQC-GJZGRUSLSA-N 1 2 349.387 2.596 20 5 EFBDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000171608983 728543282 /nfs/dbraw/zinc/54/32/82/728543282.db2.gz WOWPMRAPTAKIGH-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000171608983 728543284 /nfs/dbraw/zinc/54/32/84/728543284.db2.gz WOWPMRAPTAKIGH-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1sccc1F ZINC001031648893 729157400 /nfs/dbraw/zinc/15/74/00/729157400.db2.gz JJHGSSHTGYCFKM-UHFFFAOYSA-N 1 2 349.387 2.657 20 5 EFBDLO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1[NH2+]CCc2occc21 ZINC001580799888 1091013639 /nfs/dbraw/zinc/01/36/39/1091013639.db2.gz QKMXYEWZFDJTEH-HNNXBMFYSA-N 1 2 338.323 2.562 20 5 EFBDLO CCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]1 ZINC001590748122 1093560870 /nfs/dbraw/zinc/56/08/70/1093560870.db2.gz GBQXQXURDZADCL-UHFFFAOYSA-N 1 2 340.347 2.654 20 5 EFBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001591136400 1093668293 /nfs/dbraw/zinc/66/82/93/1093668293.db2.gz ZIFVAOVHLJUBTJ-UHFFFAOYSA-N 1 2 342.334 2.546 20 5 EFBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001591136400 1093668295 /nfs/dbraw/zinc/66/82/95/1093668295.db2.gz ZIFVAOVHLJUBTJ-UHFFFAOYSA-N 1 2 342.334 2.546 20 5 EFBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC000840145233 1100848750 /nfs/dbraw/zinc/84/87/50/1100848750.db2.gz VGVHMEAAJMKOQX-UHFFFAOYSA-N 1 2 336.342 2.982 20 5 EFBDLO C[C@]1(CO)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093340675 1107138367 /nfs/dbraw/zinc/13/83/67/1107138367.db2.gz GZSXDQUDAZZHJQ-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093340675 1107138371 /nfs/dbraw/zinc/13/83/71/1107138371.db2.gz GZSXDQUDAZZHJQ-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO Nc1ccc2n(C(=O)[C@H]3CC4CC[NH+]3CC4)c3ccccc3cc-2c1=O ZINC001142633251 1109350702 /nfs/dbraw/zinc/35/07/02/1109350702.db2.gz MSFMCYBKJSGWHQ-LJQANCHMSA-N 1 2 347.418 2.813 20 5 EFBDLO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CCc1c[nH]c[nH+]1 ZINC001106979094 1118972068 /nfs/dbraw/zinc/97/20/68/1118972068.db2.gz DFRAVBNGEIRZLI-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CCc1c[nH+]c[nH]1 ZINC001106979094 1118972072 /nfs/dbraw/zinc/97/20/72/1118972072.db2.gz DFRAVBNGEIRZLI-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000054670772 214249644 /nfs/dbraw/zinc/24/96/44/214249644.db2.gz FQDPADVEOAECQT-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000054670772 214249649 /nfs/dbraw/zinc/24/96/49/214249649.db2.gz FQDPADVEOAECQT-UHFFFAOYSA-N 1 2 331.397 2.677 20 5 EFBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000174763320 529379886 /nfs/dbraw/zinc/37/98/86/529379886.db2.gz RDXSYYDOYAPFFR-CYBMUJFWSA-N 1 2 346.412 2.748 20 5 EFBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C1CC1 ZINC000178005490 232056017 /nfs/dbraw/zinc/05/60/17/232056017.db2.gz SGOYMFZFUSLVRJ-UHFFFAOYSA-N 1 2 337.807 2.739 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000178591832 232279680 /nfs/dbraw/zinc/27/96/80/232279680.db2.gz KLYZECYIWLQAGR-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000178591832 232279687 /nfs/dbraw/zinc/27/96/87/232279687.db2.gz KLYZECYIWLQAGR-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179460615 233056387 /nfs/dbraw/zinc/05/63/87/233056387.db2.gz QICXUEWAHXWAEN-UHFFFAOYSA-N 1 2 343.383 2.504 20 5 EFBDLO Cc1c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181793003 234324210 /nfs/dbraw/zinc/32/42/10/234324210.db2.gz ZXPWZDSDKJUUQC-MRXNPFEDSA-N 1 2 348.424 2.779 20 5 EFBDLO Cc1nccc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000183775839 235222388 /nfs/dbraw/zinc/22/23/88/235222388.db2.gz CHRWPENOHBITDX-ZDUSSCGKSA-N 1 2 327.388 2.576 20 5 EFBDLO C[C@@]1(O)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129451847 223057701 /nfs/dbraw/zinc/05/77/01/223057701.db2.gz QNKMSEZDWCUNTA-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129451847 223057704 /nfs/dbraw/zinc/05/77/04/223057704.db2.gz QNKMSEZDWCUNTA-CYBMUJFWSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000129997812 223111315 /nfs/dbraw/zinc/11/13/15/223111315.db2.gz ZHMZSGYWMQGUPO-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000129997812 223111318 /nfs/dbraw/zinc/11/13/18/223111318.db2.gz ZHMZSGYWMQGUPO-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)nc(C(C)C)[nH+]1 ZINC000190309110 238379689 /nfs/dbraw/zinc/37/96/89/238379689.db2.gz AAFHWQZAFYWKGI-UHFFFAOYSA-N 1 2 348.432 2.600 20 5 EFBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000073209086 216363118 /nfs/dbraw/zinc/36/31/18/216363118.db2.gz VSQDWMPNRVQZKP-OAHLLOKOSA-N 1 2 346.387 2.571 20 5 EFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132099268 223300007 /nfs/dbraw/zinc/30/00/07/223300007.db2.gz BWPSUHOQHRFCGU-UHFFFAOYSA-N 1 2 347.375 2.701 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000355085436 242021527 /nfs/dbraw/zinc/02/15/27/242021527.db2.gz IWZTYHYUCMCHPX-OAHLLOKOSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000355085436 242021531 /nfs/dbraw/zinc/02/15/31/242021531.db2.gz IWZTYHYUCMCHPX-OAHLLOKOSA-N 1 2 349.434 2.839 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000436895475 296104379 /nfs/dbraw/zinc/10/43/79/296104379.db2.gz VFVLFWWETQAJFN-SJKOYZFVSA-N 1 2 343.383 2.722 20 5 EFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000436938087 296105188 /nfs/dbraw/zinc/10/51/88/296105188.db2.gz JXKQGHMLQMAGEM-PXAZEXFGSA-N 1 2 343.383 2.722 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000411927566 243031702 /nfs/dbraw/zinc/03/17/02/243031702.db2.gz SMMBPLHVRLDEBO-RHSMWYFYSA-N 1 2 338.367 2.779 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000411927566 243031705 /nfs/dbraw/zinc/03/17/05/243031705.db2.gz SMMBPLHVRLDEBO-RHSMWYFYSA-N 1 2 338.367 2.779 20 5 EFBDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245440616 243113951 /nfs/dbraw/zinc/11/39/51/243113951.db2.gz GQCQEIKRPNLDSG-DOMZBBRYSA-N 1 2 337.445 2.995 20 5 EFBDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245440616 243113957 /nfs/dbraw/zinc/11/39/57/243113957.db2.gz GQCQEIKRPNLDSG-DOMZBBRYSA-N 1 2 337.445 2.995 20 5 EFBDLO Cc1cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)cc1[N+](=O)[O-] ZINC000419019969 245329918 /nfs/dbraw/zinc/32/99/18/245329918.db2.gz KEIHTTUKXRCWJG-TXEJJXNPSA-N 1 2 326.780 2.799 20 5 EFBDLO Cc1cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)cc1[N+](=O)[O-] ZINC000419019969 245329921 /nfs/dbraw/zinc/32/99/21/245329921.db2.gz KEIHTTUKXRCWJG-TXEJJXNPSA-N 1 2 326.780 2.799 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419312432 245374417 /nfs/dbraw/zinc/37/44/17/245374417.db2.gz YVKCCBWYMKMBGO-UHFFFAOYSA-N 1 2 347.415 2.875 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111274976 220130629 /nfs/dbraw/zinc/13/06/29/220130629.db2.gz SXGIYTCPUJAFPU-FPMFFAJLSA-N 1 2 335.404 2.730 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111274976 220130631 /nfs/dbraw/zinc/13/06/31/220130631.db2.gz SXGIYTCPUJAFPU-FPMFFAJLSA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000263777113 245658181 /nfs/dbraw/zinc/65/81/81/245658181.db2.gz UTIVUKHMBOGCIM-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000421534176 246009136 /nfs/dbraw/zinc/00/91/36/246009136.db2.gz ZJQRJDJGTMQWPU-CQSZACIVSA-N 1 2 340.383 2.615 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000421743316 246092513 /nfs/dbraw/zinc/09/25/13/246092513.db2.gz VXEICMFFRMMVHT-UHFFFAOYSA-N 1 2 343.383 2.763 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000264136528 246099480 /nfs/dbraw/zinc/09/94/80/246099480.db2.gz GYTRYJRFWVSZNC-UHFFFAOYSA-N 1 2 328.372 2.541 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000421762771 246104891 /nfs/dbraw/zinc/10/48/91/246104891.db2.gz OIXUQQVJMBOFOE-ZDUSSCGKSA-N 1 2 328.372 2.955 20 5 EFBDLO CCc1cc(NC[C@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264351760 246388946 /nfs/dbraw/zinc/38/89/46/246388946.db2.gz XBRMSTHJMIXMKN-HNNXBMFYSA-N 1 2 328.372 2.797 20 5 EFBDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425392309 247069512 /nfs/dbraw/zinc/06/95/12/247069512.db2.gz GALZDNGUPRAJGP-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425392309 247069516 /nfs/dbraw/zinc/06/95/16/247069516.db2.gz GALZDNGUPRAJGP-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO Cn1nccc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425490515 247104223 /nfs/dbraw/zinc/10/42/23/247104223.db2.gz ZDVDYKDLGGHDJB-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425490515 247104228 /nfs/dbraw/zinc/10/42/28/247104228.db2.gz ZDVDYKDLGGHDJB-UHFFFAOYSA-N 1 2 339.193 2.723 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434673355 248176328 /nfs/dbraw/zinc/17/63/28/248176328.db2.gz CQPKSRAIJJEAPI-UHFFFAOYSA-N 1 2 346.362 2.562 20 5 EFBDLO Cc1cnc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266219288 248181814 /nfs/dbraw/zinc/18/18/14/248181814.db2.gz PYEUXALUARKHQI-CQSZACIVSA-N 1 2 348.428 2.845 20 5 EFBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091703512 218051247 /nfs/dbraw/zinc/05/12/47/218051247.db2.gz HAPYHJSUHYWVDE-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091703512 218051250 /nfs/dbraw/zinc/05/12/50/218051250.db2.gz HAPYHJSUHYWVDE-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000092762052 218165114 /nfs/dbraw/zinc/16/51/14/218165114.db2.gz 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C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccon1 ZINC000349237903 146068876 /nfs/dbraw/zinc/06/88/76/146068876.db2.gz JBJXQZNABBTHLL-BDAKNGLRSA-N 1 2 338.751 2.914 20 5 EFBDLO Cc1cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000350817448 146093285 /nfs/dbraw/zinc/09/32/85/146093285.db2.gz ZOEWXZUSLYMAFJ-CQSZACIVSA-N 1 2 329.360 2.910 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000351210264 146116321 /nfs/dbraw/zinc/11/63/21/146116321.db2.gz YUHNUVBUXZXFGY-CQSZACIVSA-N 1 2 329.360 2.910 20 5 EFBDLO COc1cc(CNc2[nH]c3cccc(Cl)c3[nH+]2)c([N+](=O)[O-])cc1O ZINC000351565650 146147443 /nfs/dbraw/zinc/14/74/43/146147443.db2.gz CSLPDNCZEXMGLC-UHFFFAOYSA-N 1 2 348.746 2.873 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351597472 146155723 /nfs/dbraw/zinc/15/57/23/146155723.db2.gz AQZWXQQMKUFHHK-UHFFFAOYSA-N 1 2 329.291 2.703 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352017299 146264874 /nfs/dbraw/zinc/26/48/74/146264874.db2.gz FOTGTOMWQVZXHO-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352017299 146264875 /nfs/dbraw/zinc/26/48/75/146264875.db2.gz FOTGTOMWQVZXHO-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000352960121 146359541 /nfs/dbraw/zinc/35/95/41/146359541.db2.gz XNTVJSORFXJLDC-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000355782905 147062166 /nfs/dbraw/zinc/06/21/66/147062166.db2.gz GYYOTVLZVWDBAK-HNNXBMFYSA-N 1 2 330.388 2.510 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000355782905 147062167 /nfs/dbraw/zinc/06/21/67/147062167.db2.gz GYYOTVLZVWDBAK-HNNXBMFYSA-N 1 2 330.388 2.510 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000355788775 147063798 /nfs/dbraw/zinc/06/37/98/147063798.db2.gz QMRZJBMBKDNMSL-LBPRGKRZSA-N 1 2 336.417 2.571 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000355788775 147063799 /nfs/dbraw/zinc/06/37/99/147063799.db2.gz QMRZJBMBKDNMSL-LBPRGKRZSA-N 1 2 336.417 2.571 20 5 EFBDLO Cc1ccc(Cc2noc(COc3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000356112837 147149862 /nfs/dbraw/zinc/14/98/62/147149862.db2.gz PQHIGUDUQYAJLB-UHFFFAOYSA-N 1 2 326.312 2.851 20 5 EFBDLO Cn1c[nH+]cc1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356216297 147178414 /nfs/dbraw/zinc/17/84/14/147178414.db2.gz MEDJRUYPFUGEAB-MRXNPFEDSA-N 1 2 346.412 2.535 20 5 EFBDLO Cc1ccn2c(CN3CCOc4ccc([N+](=O)[O-])cc4C3)c[nH+]c2c1 ZINC000356531853 147269539 /nfs/dbraw/zinc/26/95/39/147269539.db2.gz RYDSAGLVTCHWJD-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000356551935 147275430 /nfs/dbraw/zinc/27/54/30/147275430.db2.gz RKOLUWGKOXTDRP-UHFFFAOYSA-N 1 2 334.401 2.793 20 5 EFBDLO O=C(Nc1nc(C2CC2)c[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359392970 148074277 /nfs/dbraw/zinc/07/42/77/148074277.db2.gz QXDZJBJWOZHDQU-UHFFFAOYSA-N 1 2 338.327 2.633 20 5 EFBDLO Cc1cc(N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360083132 148266339 /nfs/dbraw/zinc/26/63/39/148266339.db2.gz ONASQFMVARBVCJ-STQMWFEESA-N 1 2 325.384 2.588 20 5 EFBDLO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000360089653 148268787 /nfs/dbraw/zinc/26/87/87/148268787.db2.gz RYFQMPAGTKLVNR-OAHLLOKOSA-N 1 2 349.337 2.906 20 5 EFBDLO CCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363704334 149002355 /nfs/dbraw/zinc/00/23/55/149002355.db2.gz GQOISUPRVOIWST-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363704334 149002356 /nfs/dbraw/zinc/00/23/56/149002356.db2.gz GQOISUPRVOIWST-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000436670620 292201078 /nfs/dbraw/zinc/20/10/78/292201078.db2.gz RCDQREJQEDQFNP-MRXNPFEDSA-N 1 2 343.383 2.642 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000364731444 149230003 /nfs/dbraw/zinc/23/00/03/149230003.db2.gz BCORIGGPUDKVNF-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000369196813 150298723 /nfs/dbraw/zinc/29/87/23/150298723.db2.gz NYHRQVIDDNAUQX-SNVBAGLBSA-N 1 2 334.763 2.991 20 5 EFBDLO CCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369367207 150337672 /nfs/dbraw/zinc/33/76/72/150337672.db2.gz XBTZHUMJTLRQRU-HNNXBMFYSA-N 1 2 342.399 2.911 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000372777968 151060871 /nfs/dbraw/zinc/06/08/71/151060871.db2.gz YSVAQBKPVDNOIH-LBPRGKRZSA-N 1 2 330.344 2.612 20 5 EFBDLO COc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000373775461 151224322 /nfs/dbraw/zinc/22/43/22/151224322.db2.gz NCPDLLDQFVHGSQ-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000373944836 151254368 /nfs/dbraw/zinc/25/43/68/151254368.db2.gz IAVSCFOFKUYONM-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC2CC2)CC1 ZINC000374078607 151280945 /nfs/dbraw/zinc/28/09/45/151280945.db2.gz AZRSCPQJDANSHB-ZDUSSCGKSA-N 1 2 347.415 2.813 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000374389871 151337899 /nfs/dbraw/zinc/33/78/99/151337899.db2.gz VLQIYJRDPSYUMR-NSHDSACASA-N 1 2 346.412 2.680 20 5 EFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378403658 152077985 /nfs/dbraw/zinc/07/79/85/152077985.db2.gz OLTBDZSTJVEAKW-OAHLLOKOSA-N 1 2 343.387 2.874 20 5 EFBDLO Cc1c(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000164065371 226040478 /nfs/dbraw/zinc/04/04/78/226040478.db2.gz MBMGXHOPSORIPF-HNNXBMFYSA-N 1 2 328.372 2.923 20 5 EFBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120268999 221531873 /nfs/dbraw/zinc/53/18/73/221531873.db2.gz GJIIJIODDPEAKN-UHFFFAOYSA-N 1 2 331.372 2.811 20 5 EFBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120268999 221531877 /nfs/dbraw/zinc/53/18/77/221531877.db2.gz GJIIJIODDPEAKN-UHFFFAOYSA-N 1 2 331.372 2.811 20 5 EFBDLO COc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000122767934 222153443 /nfs/dbraw/zinc/15/34/43/222153443.db2.gz UKIDGNKBGDNXGD-WFASDCNBSA-N 1 2 344.371 2.523 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123539760 222293721 /nfs/dbraw/zinc/29/37/21/222293721.db2.gz SWLXUHYOGCPIAV-UHFFFAOYSA-N 1 2 342.277 2.630 20 5 EFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000171702041 227228771 /nfs/dbraw/zinc/22/87/71/227228771.db2.gz ULRAFNKRASAUFE-VIFPVBQESA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000171702041 227228776 /nfs/dbraw/zinc/22/87/76/227228776.db2.gz ULRAFNKRASAUFE-VIFPVBQESA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041855 544540001 /nfs/dbraw/zinc/54/00/01/544540001.db2.gz NULISLRUDUBLKO-OLZOCXBDSA-N 1 2 348.424 2.905 20 5 EFBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041855 544540005 /nfs/dbraw/zinc/54/00/05/544540005.db2.gz NULISLRUDUBLKO-OLZOCXBDSA-N 1 2 348.424 2.905 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271998050 266118849 /nfs/dbraw/zinc/11/88/49/266118849.db2.gz GRRSQUOJENVCGV-MOPGFXCFSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000271998050 266118853 /nfs/dbraw/zinc/11/88/53/266118853.db2.gz GRRSQUOJENVCGV-MOPGFXCFSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000271998052 266119011 /nfs/dbraw/zinc/11/90/11/266119011.db2.gz GRRSQUOJENVCGV-OALUTQOASA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000271998052 266119014 /nfs/dbraw/zinc/11/90/14/266119014.db2.gz GRRSQUOJENVCGV-OALUTQOASA-N 1 2 342.395 2.572 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272355319 266240111 /nfs/dbraw/zinc/24/01/11/266240111.db2.gz AUPSSDTTWILBOL-MVGZEHJDSA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272355319 266240115 /nfs/dbraw/zinc/24/01/15/266240115.db2.gz AUPSSDTTWILBOL-MVGZEHJDSA-N 1 2 344.371 2.930 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272536173 266297717 /nfs/dbraw/zinc/29/77/17/266297717.db2.gz OAEAZGLFJYWYLC-JKSUJKDBSA-N 1 2 330.388 2.576 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1[nH+]ccn1C ZINC000272596627 266321179 /nfs/dbraw/zinc/32/11/79/266321179.db2.gz QHXNVALCHWFAIH-LLVKDONJSA-N 1 2 342.359 2.571 20 5 EFBDLO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccco1 ZINC000272618830 266327649 /nfs/dbraw/zinc/32/76/49/266327649.db2.gz VWQHEVLWBPLYQZ-HNNXBMFYSA-N 1 2 348.355 2.922 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000276246098 266949133 /nfs/dbraw/zinc/94/91/33/266949133.db2.gz PZFRORUVEQRZQZ-ZDUSSCGKSA-N 1 2 325.796 2.549 20 5 EFBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000276531041 267006615 /nfs/dbraw/zinc/00/66/15/267006615.db2.gz CBCPNGOKFZERAY-UHFFFAOYSA-N 1 2 349.394 2.860 20 5 EFBDLO COc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC000276663895 267031734 /nfs/dbraw/zinc/03/17/34/267031734.db2.gz XKKQRPYHQRDKLT-UHFFFAOYSA-N 1 2 344.371 2.655 20 5 EFBDLO CCOc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000276824307 267056811 /nfs/dbraw/zinc/05/68/11/267056811.db2.gz AEGCADRASMXVMR-LBPRGKRZSA-N 1 2 341.371 2.887 20 5 EFBDLO Cc1cc(N[C@H](C)c2ncnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277003624 267096288 /nfs/dbraw/zinc/09/62/88/267096288.db2.gz XFAATTGDFJBWPC-LLVKDONJSA-N 1 2 339.359 2.662 20 5 EFBDLO Cc1cc(NC[C@H]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016789 267099017 /nfs/dbraw/zinc/09/90/17/267099017.db2.gz YNOKITLHIJIKNE-SWLSCSKDSA-N 1 2 328.372 2.933 20 5 EFBDLO COc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000277300728 267150507 /nfs/dbraw/zinc/15/05/07/267150507.db2.gz CBLGQRLLNZKDDA-UHFFFAOYSA-N 1 2 329.360 2.606 20 5 EFBDLO COc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000277300728 267150508 /nfs/dbraw/zinc/15/05/08/267150508.db2.gz CBLGQRLLNZKDDA-UHFFFAOYSA-N 1 2 329.360 2.606 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795309 267265283 /nfs/dbraw/zinc/26/52/83/267265283.db2.gz OWADKRIHUPUWQO-GXFFZTMASA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795309 267265287 /nfs/dbraw/zinc/26/52/87/267265287.db2.gz OWADKRIHUPUWQO-GXFFZTMASA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277835960 267276848 /nfs/dbraw/zinc/27/68/48/267276848.db2.gz PXSWFLNNQHEOCM-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277835960 267276849 /nfs/dbraw/zinc/27/68/49/267276849.db2.gz PXSWFLNNQHEOCM-UHFFFAOYSA-N 1 2 345.428 2.593 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278044665 267328380 /nfs/dbraw/zinc/32/83/80/267328380.db2.gz LMAQVTPIFJHZSR-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278044665 267328382 /nfs/dbraw/zinc/32/83/82/267328382.db2.gz LMAQVTPIFJHZSR-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000175073771 273028357 /nfs/dbraw/zinc/02/83/57/273028357.db2.gz IHCBUXSJEYOPCB-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000279141172 273181356 /nfs/dbraw/zinc/18/13/56/273181356.db2.gz YFSIVYXYOVKMIM-VIFPVBQESA-N 1 2 347.400 2.649 20 5 EFBDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279393272 273210465 /nfs/dbraw/zinc/21/04/65/273210465.db2.gz ULHFZRLJBDSBKO-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279393272 273210467 /nfs/dbraw/zinc/21/04/67/273210467.db2.gz ULHFZRLJBDSBKO-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1cc(N2C[C@@H](O)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279591675 273231669 /nfs/dbraw/zinc/23/16/69/273231669.db2.gz WKGKUGOACWTNNK-CQSZACIVSA-N 1 2 328.372 2.567 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000280268851 273309617 /nfs/dbraw/zinc/30/96/17/273309617.db2.gz CVMQLKYLVJJHLJ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000280268851 273309618 /nfs/dbraw/zinc/30/96/18/273309618.db2.gz CVMQLKYLVJJHLJ-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280284451 273311432 /nfs/dbraw/zinc/31/14/32/273311432.db2.gz NQMBQAWXJDXOJZ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280284451 273311433 /nfs/dbraw/zinc/31/14/33/273311433.db2.gz NQMBQAWXJDXOJZ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280284442 273311442 /nfs/dbraw/zinc/31/14/42/273311442.db2.gz NQMBQAWXJDXOJZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280284442 273311444 /nfs/dbraw/zinc/31/14/44/273311444.db2.gz NQMBQAWXJDXOJZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490900 273333583 /nfs/dbraw/zinc/33/35/83/273333583.db2.gz QEUBQPLCEOHYMZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490900 273333584 /nfs/dbraw/zinc/33/35/84/273333584.db2.gz QEUBQPLCEOHYMZ-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000281275333 273418534 /nfs/dbraw/zinc/41/85/34/273418534.db2.gz PYFOUOXOJFRQBA-UHFFFAOYSA-N 1 2 344.371 2.772 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000281739323 273464999 /nfs/dbraw/zinc/46/49/99/273464999.db2.gz JFKMCNUWQLCKEA-CQSZACIVSA-N 1 2 343.387 2.761 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)C[C@H](C)O1 ZINC000282239372 273533827 /nfs/dbraw/zinc/53/38/27/273533827.db2.gz SLBITIBFDZIJFK-AOOOYVTPSA-N 1 2 335.389 2.804 20 5 EFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000282948172 273643966 /nfs/dbraw/zinc/64/39/66/273643966.db2.gz HWLQOZURQLITDH-CYBMUJFWSA-N 1 2 347.331 2.662 20 5 EFBDLO CC(C)[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000283044249 273660164 /nfs/dbraw/zinc/66/01/64/273660164.db2.gz POICQUJIYMBHRC-INIZCTEOSA-N 1 2 341.371 2.786 20 5 EFBDLO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000284050650 273790786 /nfs/dbraw/zinc/79/07/86/273790786.db2.gz JOGGRKZGYMZIKS-CYBMUJFWSA-N 1 2 335.316 2.963 20 5 EFBDLO CCOc1cc(C[NH2+][C@H](c2nncn2C)C(C)C)ccc1[N+](=O)[O-] ZINC000285448465 274001371 /nfs/dbraw/zinc/00/13/71/274001371.db2.gz SICICTLHRMIKHO-HNNXBMFYSA-N 1 2 333.392 2.609 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604473 274035893 /nfs/dbraw/zinc/03/58/93/274035893.db2.gz JYVWFFVAXBINJF-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604473 274035894 /nfs/dbraw/zinc/03/58/94/274035894.db2.gz JYVWFFVAXBINJF-HNNXBMFYSA-N 1 2 332.360 2.892 20 5 EFBDLO COc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000285669481 274049462 /nfs/dbraw/zinc/04/94/62/274049462.db2.gz ZRAGENYEKSGUJM-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO COc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000285669481 274049463 /nfs/dbraw/zinc/04/94/63/274049463.db2.gz ZRAGENYEKSGUJM-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285861457 274089273 /nfs/dbraw/zinc/08/92/73/274089273.db2.gz IMTQAGZSNNPIOD-SWLSCSKDSA-N 1 2 339.823 2.543 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285863048 274089760 /nfs/dbraw/zinc/08/97/60/274089760.db2.gz YMKOCEFYRQHKQS-ZDUSSCGKSA-N 1 2 348.359 2.511 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285863048 274089762 /nfs/dbraw/zinc/08/97/62/274089762.db2.gz YMKOCEFYRQHKQS-ZDUSSCGKSA-N 1 2 348.359 2.511 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285973478 274109744 /nfs/dbraw/zinc/10/97/44/274109744.db2.gz NRFMXVFJTUTCCP-DOMZBBRYSA-N 1 2 339.823 2.543 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000286250206 274162255 /nfs/dbraw/zinc/16/22/55/274162255.db2.gz FXFDESICSPXGPF-YPMHNXCESA-N 1 2 325.796 2.548 20 5 EFBDLO COC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286316879 274176270 /nfs/dbraw/zinc/17/62/70/274176270.db2.gz HJRYXIBJCJSOSM-GFCCVEGCSA-N 1 2 340.326 2.648 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286416138 274196707 /nfs/dbraw/zinc/19/67/07/274196707.db2.gz QPNWLRWSTMGSOY-YPMHNXCESA-N 1 2 325.796 2.548 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(F)c1 ZINC000286502013 274214288 /nfs/dbraw/zinc/21/42/88/274214288.db2.gz RGVHOKJHVRZEGY-KGLIPLIRSA-N 1 2 330.356 2.579 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(F)c1 ZINC000286502013 274214290 /nfs/dbraw/zinc/21/42/90/274214290.db2.gz RGVHOKJHVRZEGY-KGLIPLIRSA-N 1 2 330.356 2.579 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286697252 274253579 /nfs/dbraw/zinc/25/35/79/274253579.db2.gz DNKRVDQPHPYSSY-JTQLQIEISA-N 1 2 343.330 2.584 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286697252 274253582 /nfs/dbraw/zinc/25/35/82/274253582.db2.gz DNKRVDQPHPYSSY-JTQLQIEISA-N 1 2 343.330 2.584 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1c[nH+]ccc1OC ZINC000286928141 274302844 /nfs/dbraw/zinc/30/28/44/274302844.db2.gz MMKSXIREZRKTKC-UHFFFAOYSA-N 1 2 332.312 2.754 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000289648500 274797687 /nfs/dbraw/zinc/79/76/87/274797687.db2.gz DDMBNBIHJCDFIE-UHFFFAOYSA-N 1 2 343.387 2.940 20 5 EFBDLO COc1c(C)c[nH+]c(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1C ZINC000126841038 277363718 /nfs/dbraw/zinc/36/37/18/277363718.db2.gz NYHNYCYCXMJGOI-UHFFFAOYSA-N 1 2 329.312 2.571 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000266428574 277937580 /nfs/dbraw/zinc/93/75/80/277937580.db2.gz TXVBKFACNINWHD-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444292833 288099234 /nfs/dbraw/zinc/09/92/34/288099234.db2.gz SWYYRGBJJGUXCV-UONOGXRCSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444292833 288099237 /nfs/dbraw/zinc/09/92/37/288099237.db2.gz SWYYRGBJJGUXCV-UONOGXRCSA-N 1 2 349.434 2.846 20 5 EFBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000262515359 279060494 /nfs/dbraw/zinc/06/04/94/279060494.db2.gz LENXMHCULHFJQL-CYBMUJFWSA-N 1 2 335.404 2.527 20 5 EFBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000262515359 279060496 /nfs/dbraw/zinc/06/04/96/279060496.db2.gz LENXMHCULHFJQL-CYBMUJFWSA-N 1 2 335.404 2.527 20 5 EFBDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172909538 280027768 /nfs/dbraw/zinc/02/77/68/280027768.db2.gz CBQWFCMTDQPDJL-ZDUSSCGKSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172909538 280027771 /nfs/dbraw/zinc/02/77/71/280027771.db2.gz CBQWFCMTDQPDJL-ZDUSSCGKSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248147 280064014 /nfs/dbraw/zinc/06/40/14/280064014.db2.gz ORCFIMZXHXQTGK-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248147 280064017 /nfs/dbraw/zinc/06/40/17/280064017.db2.gz ORCFIMZXHXQTGK-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000450086724 280190214 /nfs/dbraw/zinc/19/02/14/280190214.db2.gz BTHXVQISAPSJPB-KBPBESRZSA-N 1 2 326.356 2.653 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2[nH+]ccn21 ZINC000456441677 288554590 /nfs/dbraw/zinc/55/45/90/288554590.db2.gz ZIUKLAROCMJKRM-BXKDBHETSA-N 1 2 325.328 2.708 20 5 EFBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)cc1 ZINC000063586807 292677792 /nfs/dbraw/zinc/67/77/92/292677792.db2.gz ZKUWQSUOIHQMHO-MRXNPFEDSA-N 1 2 343.383 2.642 20 5 EFBDLO Cc1cccn2cc(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000078596561 292778240 /nfs/dbraw/zinc/77/82/40/292778240.db2.gz SJJWTYUAEWMJRL-CMDGGOBGSA-N 1 2 336.351 2.881 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000126187179 293030950 /nfs/dbraw/zinc/03/09/50/293030950.db2.gz UNEYHKAEYYTJLT-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000126187179 293030952 /nfs/dbraw/zinc/03/09/52/293030952.db2.gz UNEYHKAEYYTJLT-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127072225 293057856 /nfs/dbraw/zinc/05/78/56/293057856.db2.gz SGQQVGDQFCLWQH-HNNXBMFYSA-N 1 2 342.355 2.983 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000255329161 293847266 /nfs/dbraw/zinc/84/72/66/293847266.db2.gz YJBXOEXBZCJMLH-BOPUHXCYSA-N 1 2 340.383 2.914 20 5 EFBDLO NC(=O)c1ccnc(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000290555477 294119106 /nfs/dbraw/zinc/11/91/06/294119106.db2.gz RCCLCMRMSJXBLG-UHFFFAOYSA-N 1 2 341.371 2.823 20 5 EFBDLO CC(C)[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000291048761 294258706 /nfs/dbraw/zinc/25/87/06/294258706.db2.gz DLRGZKPCAFZTJK-SNVBAGLBSA-N 1 2 344.418 2.592 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294424153 295165021 /nfs/dbraw/zinc/16/50/21/295165021.db2.gz NLMYOLUGTISJPR-UHFFFAOYSA-N 1 2 342.277 2.619 20 5 EFBDLO CC(C)(CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)[N+](=O)[O-] ZINC000294621392 295195889 /nfs/dbraw/zinc/19/58/89/295195889.db2.gz NOJRXXTWYFFUBU-UHFFFAOYSA-N 1 2 348.447 2.914 20 5 EFBDLO Cc1cc(Cl)c(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000294794536 295228852 /nfs/dbraw/zinc/22/88/52/295228852.db2.gz HXBAABYOAKXRAZ-UHFFFAOYSA-N 1 2 348.790 2.948 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898962 295242799 /nfs/dbraw/zinc/24/27/99/295242799.db2.gz XBVRKOQIUQEKPV-LBPRGKRZSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898962 295242801 /nfs/dbraw/zinc/24/28/01/295242801.db2.gz XBVRKOQIUQEKPV-LBPRGKRZSA-N 1 2 341.795 2.911 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295121156 295270492 /nfs/dbraw/zinc/27/04/92/295270492.db2.gz ISZQODUVYXGPNQ-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295121156 295270493 /nfs/dbraw/zinc/27/04/93/295270493.db2.gz ISZQODUVYXGPNQ-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO CCC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000295436305 295320142 /nfs/dbraw/zinc/32/01/42/295320142.db2.gz VFRCPOHKKFIOQF-SNVBAGLBSA-N 1 2 343.221 2.876 20 5 EFBDLO CCC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000295436305 295320145 /nfs/dbraw/zinc/32/01/45/295320145.db2.gz VFRCPOHKKFIOQF-SNVBAGLBSA-N 1 2 343.221 2.876 20 5 EFBDLO CC[C@@H](C)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000295849759 295385518 /nfs/dbraw/zinc/38/55/18/295385518.db2.gz BDBYKGQQSMFHBI-SNVBAGLBSA-N 1 2 343.225 2.673 20 5 EFBDLO NC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351869785 303245053 /nfs/dbraw/zinc/24/50/53/303245053.db2.gz JJCAFXOEEOQRQU-UHFFFAOYSA-N 1 2 349.337 2.751 20 5 EFBDLO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351869785 303245055 /nfs/dbraw/zinc/24/50/55/303245055.db2.gz JJCAFXOEEOQRQU-UHFFFAOYSA-N 1 2 349.337 2.751 20 5 EFBDLO Cc1nc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000161616608 310711251 /nfs/dbraw/zinc/71/12/51/310711251.db2.gz JOCKBMZHAXLQHT-UHFFFAOYSA-N 1 2 332.360 2.724 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC000172562830 310761389 /nfs/dbraw/zinc/76/13/89/310761389.db2.gz DQFACHNJKQVHSS-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cn1c2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000298557094 311002595 /nfs/dbraw/zinc/00/25/95/311002595.db2.gz YQTJNNSYMCNSPJ-UHFFFAOYSA-N 1 2 344.415 2.902 20 5 EFBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000299118050 311053146 /nfs/dbraw/zinc/05/31/46/311053146.db2.gz HQJAYACUUQDHOC-JTQLQIEISA-N 1 2 349.416 2.864 20 5 EFBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000299118050 311053148 /nfs/dbraw/zinc/05/31/48/311053148.db2.gz HQJAYACUUQDHOC-JTQLQIEISA-N 1 2 349.416 2.864 20 5 EFBDLO COc1ccc(NC(=O)CC[N@H+](CC(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000299343162 311074548 /nfs/dbraw/zinc/07/45/48/311074548.db2.gz QLPFQOYPDLTCDK-UHFFFAOYSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccc(NC(=O)CC[N@@H+](CC(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000299343162 311074549 /nfs/dbraw/zinc/07/45/49/311074549.db2.gz QLPFQOYPDLTCDK-UHFFFAOYSA-N 1 2 343.330 2.662 20 5 EFBDLO O=[N+]([O-])c1ccc2nc(N3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000301112293 311119729 /nfs/dbraw/zinc/11/97/29/311119729.db2.gz UJBGCVNSLZCEQY-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO CCc1cc(NCCn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301116854 311120066 /nfs/dbraw/zinc/12/00/66/311120066.db2.gz YRMMTZBZGKPYCP-UHFFFAOYSA-N 1 2 338.371 2.923 20 5 EFBDLO COc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000301626917 311148369 /nfs/dbraw/zinc/14/83/69/311148369.db2.gz GYNWTMZKUSQKBZ-LBPRGKRZSA-N 1 2 333.319 2.795 20 5 EFBDLO Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C(C)C)[nH+]1 ZINC000301767862 311157422 /nfs/dbraw/zinc/15/74/22/311157422.db2.gz CBTOCFIMUITIEN-ZDUSSCGKSA-N 1 2 342.403 2.902 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301811623 311159863 /nfs/dbraw/zinc/15/98/63/311159863.db2.gz BOVLNEVHDGSVAI-UHFFFAOYSA-N 1 2 340.383 2.845 20 5 EFBDLO Cc1cc(N[C@](C)(CO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821800 311160426 /nfs/dbraw/zinc/16/04/26/311160426.db2.gz KHINHNUILPTQJH-QGZVFWFLSA-N 1 2 328.372 2.933 20 5 EFBDLO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301963155 311168949 /nfs/dbraw/zinc/16/89/49/311168949.db2.gz UPRLRECEAOKJKN-ABAIWWIYSA-N 1 2 328.372 2.567 20 5 EFBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000302136268 311179796 /nfs/dbraw/zinc/17/97/96/311179796.db2.gz BDHIBFGTTNCITQ-QWRGUYRKSA-N 1 2 345.346 2.717 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](Oc3cc[nH+]cc3)C1)CCN2 ZINC000302394237 311189024 /nfs/dbraw/zinc/18/90/24/311189024.db2.gz CNHGHGMUWSVUPC-CYBMUJFWSA-N 1 2 326.356 2.616 20 5 EFBDLO CCOCC[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302808280 311202397 /nfs/dbraw/zinc/20/23/97/311202397.db2.gz GILKWOZVTJHWLU-UHFFFAOYSA-N 1 2 327.812 2.715 20 5 EFBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000331154202 311357837 /nfs/dbraw/zinc/35/78/37/311357837.db2.gz CQQJJOBUOYUXSI-UHFFFAOYSA-N 1 2 340.811 2.680 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331322570 311367416 /nfs/dbraw/zinc/36/74/16/311367416.db2.gz MLMQIHCZUMOZGA-SWLSCSKDSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331322570 311367417 /nfs/dbraw/zinc/36/74/17/311367417.db2.gz MLMQIHCZUMOZGA-SWLSCSKDSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331322571 311367545 /nfs/dbraw/zinc/36/75/45/311367545.db2.gz MLMQIHCZUMOZGA-WFASDCNBSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331322571 311367547 /nfs/dbraw/zinc/36/75/47/311367547.db2.gz MLMQIHCZUMOZGA-WFASDCNBSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331322569 311367680 /nfs/dbraw/zinc/36/76/80/311367680.db2.gz MLMQIHCZUMOZGA-IUODEOHRSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331322569 311367681 /nfs/dbraw/zinc/36/76/81/311367681.db2.gz MLMQIHCZUMOZGA-IUODEOHRSA-N 1 2 335.404 2.669 20 5 EFBDLO Cc1cc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc([N+](=O)[O-])c1 ZINC000332375292 311495769 /nfs/dbraw/zinc/49/57/69/311495769.db2.gz CYIBBMYUCXVTEA-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000332424299 311502648 /nfs/dbraw/zinc/50/26/48/311502648.db2.gz BBPHZDLHGGCPGZ-LLVKDONJSA-N 1 2 333.417 2.638 20 5 EFBDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332424844 311502812 /nfs/dbraw/zinc/50/28/12/311502812.db2.gz SWTGIZQUXINVCM-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO COC(=O)[C@@H]1CC12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413148229 312046861 /nfs/dbraw/zinc/04/68/61/312046861.db2.gz XRELXFFONWPZJS-HNNXBMFYSA-N 1 2 341.367 2.923 20 5 EFBDLO CCCN1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000420649548 312378992 /nfs/dbraw/zinc/37/89/92/312378992.db2.gz GIRHKOKKTHRMFL-LBPRGKRZSA-N 1 2 328.372 2.813 20 5 EFBDLO Cc1cc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420653235 312379350 /nfs/dbraw/zinc/37/93/50/312379350.db2.gz NUBMZQMZFHKEMH-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000450758599 312740809 /nfs/dbraw/zinc/74/08/09/312740809.db2.gz LZXIWGUCFPIMJD-ZDUSSCGKSA-N 1 2 338.371 2.656 20 5 EFBDLO CCc1cc(NC[C@H](O)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450917576 312773837 /nfs/dbraw/zinc/77/38/37/312773837.db2.gz DNXZSPQRBUUTIY-INIZCTEOSA-N 1 2 342.399 2.609 20 5 EFBDLO C[C@@H]1CC[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000453407722 312900176 /nfs/dbraw/zinc/90/01/76/312900176.db2.gz MMDFRVDEFIAPAT-DAXOMENPSA-N 1 2 330.388 2.575 20 5 EFBDLO CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458092392 313069514 /nfs/dbraw/zinc/06/95/14/313069514.db2.gz GPRVBUTZCWACSZ-NVXWUHKLSA-N 1 2 328.372 2.945 20 5 EFBDLO CN(Cc1nccs1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472345853 313187963 /nfs/dbraw/zinc/18/79/63/313187963.db2.gz FYKKAPDCKRNCFF-UHFFFAOYSA-N 1 2 348.428 2.520 20 5 EFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481568108 313293999 /nfs/dbraw/zinc/29/39/99/313293999.db2.gz BZGLOXHDRSPSLA-SFHVURJKSA-N 1 2 342.395 2.820 20 5 EFBDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000483542754 313313981 /nfs/dbraw/zinc/31/39/81/313313981.db2.gz WNUJVTHLVSWMLV-MRXNPFEDSA-N 1 2 349.431 2.837 20 5 EFBDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000483542751 313314028 /nfs/dbraw/zinc/31/40/28/313314028.db2.gz WNUJVTHLVSWMLV-INIZCTEOSA-N 1 2 349.431 2.837 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000491250044 313721664 /nfs/dbraw/zinc/72/16/64/313721664.db2.gz NWIDDIHYJRDOSZ-VOTSOKGWSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000491353370 313736339 /nfs/dbraw/zinc/73/63/39/313736339.db2.gz VUZHZSNWAMBDLX-RQOWECAXSA-N 1 2 344.346 2.807 20 5 EFBDLO CCOc1cc(C[N@H+](C)C2(C(=O)OC)CCCC2)ccc1[N+](=O)[O-] ZINC000492537564 314029610 /nfs/dbraw/zinc/02/96/10/314029610.db2.gz PFYANLFMOHCELT-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOc1cc(C[N@@H+](C)C2(C(=O)OC)CCCC2)ccc1[N+](=O)[O-] ZINC000492537564 314029616 /nfs/dbraw/zinc/02/96/16/314029616.db2.gz PFYANLFMOHCELT-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492593277 314049722 /nfs/dbraw/zinc/04/97/22/314049722.db2.gz JXTQLHHVCRNYCS-AATRIKPKSA-N 1 2 334.763 2.794 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844569 314149410 /nfs/dbraw/zinc/14/94/10/314149410.db2.gz DRFHIQHVYMNWMO-WFASDCNBSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844569 314149412 /nfs/dbraw/zinc/14/94/12/314149412.db2.gz DRFHIQHVYMNWMO-WFASDCNBSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844561 314149511 /nfs/dbraw/zinc/14/95/11/314149511.db2.gz DRFHIQHVYMNWMO-DOMZBBRYSA-N 1 2 336.388 2.767 20 5 EFBDLO CCOc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492844561 314149513 /nfs/dbraw/zinc/14/95/13/314149513.db2.gz DRFHIQHVYMNWMO-DOMZBBRYSA-N 1 2 336.388 2.767 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000492931970 314182735 /nfs/dbraw/zinc/18/27/35/314182735.db2.gz ROSDQFKUTLPZPQ-UPHRSURJSA-N 1 2 337.133 2.732 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000492972401 314197115 /nfs/dbraw/zinc/19/71/15/314197115.db2.gz JRPJZBUVILRFLL-SYTKJHMZSA-N 1 2 326.356 2.802 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493224119 314282974 /nfs/dbraw/zinc/28/29/74/314282974.db2.gz SCICMWGBPFHXTR-PODYEWJSSA-N 1 2 326.356 2.737 20 5 EFBDLO CCOC(=O)N1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000496037428 314923092 /nfs/dbraw/zinc/92/30/92/314923092.db2.gz WQPZVXVJGRPVHN-GFCCVEGCSA-N 1 2 330.344 2.786 20 5 EFBDLO Cc1cc(C)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)[nH+]1 ZINC000521343402 316016123 /nfs/dbraw/zinc/01/61/23/316016123.db2.gz FDFFOGQJSFHTCA-UHFFFAOYSA-N 1 2 329.312 2.896 20 5 EFBDLO CC(C)(C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000522599876 316093774 /nfs/dbraw/zinc/09/37/74/316093774.db2.gz SYWXPGQGFOSKNF-UHFFFAOYSA-N 1 2 340.343 2.555 20 5 EFBDLO C[C@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)S1 ZINC000525273347 316204686 /nfs/dbraw/zinc/20/46/86/316204686.db2.gz JIOLYPWHYVYDEQ-QWRGUYRKSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000530616354 317156333 /nfs/dbraw/zinc/15/63/33/317156333.db2.gz BRBUDBRBHXAUSW-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000530616354 317156335 /nfs/dbraw/zinc/15/63/35/317156335.db2.gz BRBUDBRBHXAUSW-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000532224743 317371115 /nfs/dbraw/zinc/37/11/15/317371115.db2.gz YIZGXMAHXDNHBD-QMMMGPOBSA-N 1 2 325.166 2.931 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2n1C ZINC000533204623 317482288 /nfs/dbraw/zinc/48/22/88/317482288.db2.gz VJIIPXFUZDNYLS-UHFFFAOYSA-N 1 2 326.312 2.748 20 5 EFBDLO CCc1ccc([C@@H]([NH2+]CC(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544441 317780523 /nfs/dbraw/zinc/78/05/23/317780523.db2.gz VEQOAOWXYKLHIC-SFHVURJKSA-N 1 2 345.399 2.954 20 5 EFBDLO Cc1cc(NC[C@]2(O)CCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549654597 318179457 /nfs/dbraw/zinc/17/94/57/318179457.db2.gz VLWFJBFGRIAHMK-KZULUSFZSA-N 1 2 342.399 2.745 20 5 EFBDLO Cc1cnc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552045711 318240045 /nfs/dbraw/zinc/24/00/45/318240045.db2.gz MMXZHXJNFKBHIH-OAHLLOKOSA-N 1 2 343.412 2.972 20 5 EFBDLO Cc1cc(N[C@H]2CSC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553676166 318290326 /nfs/dbraw/zinc/29/03/26/318290326.db2.gz FVIKTZDTQYNIHI-HZMBPMFUSA-N 1 2 330.413 2.946 20 5 EFBDLO Cc1cc(N[C@@H]2CSC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553676168 318290513 /nfs/dbraw/zinc/29/05/13/318290513.db2.gz FVIKTZDTQYNIHI-QMTHXVAHSA-N 1 2 330.413 2.946 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)c1 ZINC000554494767 318316755 /nfs/dbraw/zinc/31/67/55/318316755.db2.gz XIXWYJFYMOJBPS-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562287560 318630586 /nfs/dbraw/zinc/63/05/86/318630586.db2.gz IRSCMBCYFSOENC-UHFFFAOYSA-N 1 2 330.344 2.807 20 5 EFBDLO CCc1ccc(S(=O)(=O)N(CC)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000564207742 318847916 /nfs/dbraw/zinc/84/79/16/318847916.db2.gz GXAARWFYTCWJCX-UHFFFAOYSA-N 1 2 335.385 2.767 20 5 EFBDLO C[C@H](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)n1cc[nH+]c1 ZINC000567988844 319234017 /nfs/dbraw/zinc/23/40/17/319234017.db2.gz QDJFVBZVRRINBV-LLVKDONJSA-N 1 2 346.343 2.542 20 5 EFBDLO Cc1cc(NC[C@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573468888 319769687 /nfs/dbraw/zinc/76/96/87/319769687.db2.gz UJLORHFAWMXXNB-SWLSCSKDSA-N 1 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ZINC000385495016 323757289 /nfs/dbraw/zinc/75/72/89/323757289.db2.gz POGFGAWETPOLGE-UHFFFAOYSA-N 1 2 340.181 2.889 20 5 EFBDLO C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000580751431 324225552 /nfs/dbraw/zinc/22/55/52/324225552.db2.gz YJZPYHMXRBCVFW-CYBMUJFWSA-N 1 2 338.367 2.705 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095409435 473199123 /nfs/dbraw/zinc/19/91/23/473199123.db2.gz QRYLBLWWMJQUPP-CABCVRRESA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095409435 473199127 /nfs/dbraw/zinc/19/91/27/473199127.db2.gz QRYLBLWWMJQUPP-CABCVRRESA-N 1 2 344.408 2.522 20 5 EFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000137939710 473213653 /nfs/dbraw/zinc/21/36/53/473213653.db2.gz VLYKXBPJBURMAT-UHFFFAOYSA-N 1 2 343.358 2.692 20 5 EFBDLO COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000138465589 473220034 /nfs/dbraw/zinc/22/00/34/473220034.db2.gz FXWRVJFYBHQDDC-INIZCTEOSA-N 1 2 339.355 2.933 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111699423 473223330 /nfs/dbraw/zinc/22/33/30/473223330.db2.gz AEIDLOVSQNCTLE-UHFFFAOYSA-N 1 2 345.359 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139797431 473238437 /nfs/dbraw/zinc/23/84/37/473238437.db2.gz ALGIWYHZQVWDBG-ZDUSSCGKSA-N 1 2 333.388 2.567 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139797431 473238440 /nfs/dbraw/zinc/23/84/40/473238440.db2.gz ALGIWYHZQVWDBG-ZDUSSCGKSA-N 1 2 333.388 2.567 20 5 EFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112183379 473245333 /nfs/dbraw/zinc/24/53/33/473245333.db2.gz DVTRMZPPUNEXNG-UHFFFAOYSA-N 1 2 339.311 2.617 20 5 EFBDLO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000081799987 473255766 /nfs/dbraw/zinc/25/57/66/473255766.db2.gz OHNFQANSDZEZAQ-ZDUSSCGKSA-N 1 2 330.388 2.521 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1Br ZINC000124831185 473311394 /nfs/dbraw/zinc/31/13/94/473311394.db2.gz ZTOOSYJQCKMKHD-LLVKDONJSA-N 1 2 329.194 2.562 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1Br ZINC000124831185 473311403 /nfs/dbraw/zinc/31/14/03/473311403.db2.gz ZTOOSYJQCKMKHD-LLVKDONJSA-N 1 2 329.194 2.562 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190563847 473321402 /nfs/dbraw/zinc/32/14/02/473321402.db2.gz ZDNZGPSLIISLMD-LBPRGKRZSA-N 1 2 335.404 2.811 20 5 EFBDLO CCOC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000083244348 473338336 /nfs/dbraw/zinc/33/83/36/473338336.db2.gz YLGXZZHAYUMBQQ-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000083244348 473338341 /nfs/dbraw/zinc/33/83/41/473338341.db2.gz YLGXZZHAYUMBQQ-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CNc1cc2c(nn1)CC[N@@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000611515965 469270751 /nfs/dbraw/zinc/27/07/51/469270751.db2.gz UJYFOVYLDGJPHQ-GFCCVEGCSA-N 1 2 327.388 2.854 20 5 EFBDLO CNc1cc2c(nn1)CC[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000611515965 469270756 /nfs/dbraw/zinc/27/07/56/469270756.db2.gz UJYFOVYLDGJPHQ-GFCCVEGCSA-N 1 2 327.388 2.854 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000162525484 473351303 /nfs/dbraw/zinc/35/13/03/473351303.db2.gz BUXIDAZAYIRKNM-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC000083577515 473352834 /nfs/dbraw/zinc/35/28/34/473352834.db2.gz UNNIJSABGXTWEF-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO CCc1cc(N)nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000619166403 469542166 /nfs/dbraw/zinc/54/21/66/469542166.db2.gz AMJIPWMQHDKNNZ-UHFFFAOYSA-N 1 2 347.400 2.650 20 5 EFBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000125182354 473371041 /nfs/dbraw/zinc/37/10/41/473371041.db2.gz PYNUIDDCQMWFQW-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000125182354 473371044 /nfs/dbraw/zinc/37/10/44/473371044.db2.gz PYNUIDDCQMWFQW-UHFFFAOYSA-N 1 2 347.371 2.583 20 5 EFBDLO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000177430761 473375802 /nfs/dbraw/zinc/37/58/02/473375802.db2.gz UEZCNPOLQQOTKK-UHFFFAOYSA-N 1 2 347.415 2.827 20 5 EFBDLO Cc1c(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000616313115 479878209 /nfs/dbraw/zinc/87/82/09/479878209.db2.gz RSZPKJUAUYUABO-HNNXBMFYSA-N 1 2 343.387 2.646 20 5 EFBDLO CC1(CO)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000401759181 476901940 /nfs/dbraw/zinc/90/19/40/476901940.db2.gz AWJHGWKBVMQMBU-UHFFFAOYSA-N 1 2 343.221 2.952 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1F ZINC000453571233 477238836 /nfs/dbraw/zinc/23/88/36/477238836.db2.gz BOCVUUXHPOWFLV-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO COc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000616434080 479906387 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COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000016564138 471941358 /nfs/dbraw/zinc/94/13/58/471941358.db2.gz QGFXFLSTVRPMLR-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000016564138 471941367 /nfs/dbraw/zinc/94/13/67/471941367.db2.gz QGFXFLSTVRPMLR-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO COc1ccccc1[C@@H](Nc1ncccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000017591288 471963380 /nfs/dbraw/zinc/96/33/80/471963380.db2.gz VWCCKGSMEPCOCU-OAHLLOKOSA-N 1 2 339.355 2.933 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000017814089 471964753 /nfs/dbraw/zinc/96/47/53/471964753.db2.gz DEUZTHPQMLCHIY-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO Cc1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000033229145 471979253 /nfs/dbraw/zinc/97/92/53/471979253.db2.gz JNPWLAQGTNVRDK-UHFFFAOYSA-N 1 2 329.341 2.798 20 5 EFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067070900 471988665 /nfs/dbraw/zinc/98/86/65/471988665.db2.gz KFTVOGFUALQWCM-UHFFFAOYSA-N 1 2 338.367 2.823 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022096969 472009561 /nfs/dbraw/zinc/00/95/61/472009561.db2.gz OGSWFTQRSJGHLI-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023702172 472037525 /nfs/dbraw/zinc/03/75/25/472037525.db2.gz XWYKUKBWRMKFAH-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000024164897 472047801 /nfs/dbraw/zinc/04/78/01/472047801.db2.gz NFQOEANCQGOEHV-UHFFFAOYSA-N 1 2 327.384 2.926 20 5 EFBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n2)C1 ZINC000054277578 472071476 /nfs/dbraw/zinc/07/14/76/472071476.db2.gz WZBCYDIYSRJNAK-SNVBAGLBSA-N 1 2 349.416 2.864 20 5 EFBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n2)C1 ZINC000054277578 472071484 /nfs/dbraw/zinc/07/14/84/472071484.db2.gz WZBCYDIYSRJNAK-SNVBAGLBSA-N 1 2 349.416 2.864 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000026000384 472120099 /nfs/dbraw/zinc/12/00/99/472120099.db2.gz KUWUPYIVRYLRSI-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000026000462 472120318 /nfs/dbraw/zinc/12/03/18/472120318.db2.gz WFFLHQOHEOHQKF-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346583 472132847 /nfs/dbraw/zinc/13/28/47/472132847.db2.gz PDGLGWDEGUVROL-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346583 472132853 /nfs/dbraw/zinc/13/28/53/472132853.db2.gz PDGLGWDEGUVROL-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347488 472133302 /nfs/dbraw/zinc/13/33/02/472133302.db2.gz GLMSIAYSUSFQJW-ZDUSSCGKSA-N 1 2 345.403 2.831 20 5 EFBDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347488 472133307 /nfs/dbraw/zinc/13/33/07/472133307.db2.gz GLMSIAYSUSFQJW-ZDUSSCGKSA-N 1 2 345.403 2.831 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000042512880 472142221 /nfs/dbraw/zinc/14/22/21/472142221.db2.gz BSSSTVXYUAABLE-LBPRGKRZSA-N 1 2 330.388 2.907 20 5 EFBDLO CCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075573552 472160138 /nfs/dbraw/zinc/16/01/38/472160138.db2.gz UKRKQAORUTZACG-UHFFFAOYSA-N 1 2 342.277 2.805 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccccn2)CC1 ZINC000075613499 472170196 /nfs/dbraw/zinc/17/01/96/472170196.db2.gz IMKKMWNGDSHJRV-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000075613499 472170202 /nfs/dbraw/zinc/17/02/02/472170202.db2.gz IMKKMWNGDSHJRV-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(Cl)n3)CC2)c1 ZINC000075626856 472171830 /nfs/dbraw/zinc/17/18/30/472171830.db2.gz KOQHRSDYGUPMTC-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027371830 472174397 /nfs/dbraw/zinc/17/43/97/472174397.db2.gz OLPWNQSFVYGDBK-SNVBAGLBSA-N 1 2 331.397 2.875 20 5 EFBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027371830 472174401 /nfs/dbraw/zinc/17/44/01/472174401.db2.gz OLPWNQSFVYGDBK-SNVBAGLBSA-N 1 2 331.397 2.875 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043149828 472205830 /nfs/dbraw/zinc/20/58/30/472205830.db2.gz RCMAVDGIAMYTIQ-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000043149690 472205991 /nfs/dbraw/zinc/20/59/91/472205991.db2.gz GKJDRDSWQNHFAF-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000028093807 472214047 /nfs/dbraw/zinc/21/40/47/472214047.db2.gz ZBMNGTNFLGCYQU-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084776176 472217163 /nfs/dbraw/zinc/21/71/63/472217163.db2.gz ZDSSRMJGCLFZKN-UHFFFAOYSA-N 1 2 325.328 2.758 20 5 EFBDLO CNC(=O)c1ccc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000068772406 472238077 /nfs/dbraw/zinc/23/80/77/472238077.db2.gz MZURPSNMGCRTJS-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000029067837 472248451 /nfs/dbraw/zinc/24/84/51/472248451.db2.gz WCVMGKJKCFCRQE-MRXNPFEDSA-N 1 2 336.351 2.848 20 5 EFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000030540631 472338109 /nfs/dbraw/zinc/33/81/09/472338109.db2.gz GCIGUAWCMQNKNO-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO COc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000069444095 472346026 /nfs/dbraw/zinc/34/60/26/472346026.db2.gz GYZOGOVVDRHWNC-UHFFFAOYSA-N 1 2 340.339 2.741 20 5 EFBDLO C[N@H+](CCOCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000088600520 472376710 /nfs/dbraw/zinc/37/67/10/472376710.db2.gz PTHFKGDUZBIULF-UHFFFAOYSA-N 1 2 332.360 2.503 20 5 EFBDLO C[N@@H+](CCOCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000088600520 472376714 /nfs/dbraw/zinc/37/67/14/472376714.db2.gz PTHFKGDUZBIULF-UHFFFAOYSA-N 1 2 332.360 2.503 20 5 EFBDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606330 472377211 /nfs/dbraw/zinc/37/72/11/472377211.db2.gz AAESAEDCPZAQSQ-LBPRGKRZSA-N 1 2 345.424 2.719 20 5 EFBDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606330 472377215 /nfs/dbraw/zinc/37/72/15/472377215.db2.gz AAESAEDCPZAQSQ-LBPRGKRZSA-N 1 2 345.424 2.719 20 5 EFBDLO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088608044 472377454 /nfs/dbraw/zinc/37/74/54/472377454.db2.gz LJAMKZNSNGZSEM-UHFFFAOYSA-N 1 2 339.395 2.855 20 5 EFBDLO CN(C)C(=O)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088608044 472377461 /nfs/dbraw/zinc/37/74/61/472377461.db2.gz LJAMKZNSNGZSEM-UHFFFAOYSA-N 1 2 339.395 2.855 20 5 EFBDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605913 472378095 /nfs/dbraw/zinc/37/80/95/472378095.db2.gz SFIXUXRFRANCMW-UHFFFAOYSA-N 1 2 339.395 2.578 20 5 EFBDLO Cc1ccccc1CNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605913 472378098 /nfs/dbraw/zinc/37/80/98/472378098.db2.gz SFIXUXRFRANCMW-UHFFFAOYSA-N 1 2 339.395 2.578 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605820 472378283 /nfs/dbraw/zinc/37/82/83/472378283.db2.gz RZLXXUXCOOHFQN-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605820 472378288 /nfs/dbraw/zinc/37/82/88/472378288.db2.gz RZLXXUXCOOHFQN-UHFFFAOYSA-N 1 2 325.368 2.616 20 5 EFBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128052511 472394401 /nfs/dbraw/zinc/39/44/01/472394401.db2.gz LPRSLAPLXZXACG-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128052511 472394404 /nfs/dbraw/zinc/39/44/04/472394404.db2.gz LPRSLAPLXZXACG-CYBMUJFWSA-N 1 2 340.383 2.572 20 5 EFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116391855 472399614 /nfs/dbraw/zinc/39/96/14/472399614.db2.gz PQPYHVYQJTUEMS-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116391855 472399617 /nfs/dbraw/zinc/39/96/17/472399617.db2.gz PQPYHVYQJTUEMS-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)NCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000057225521 472401144 /nfs/dbraw/zinc/40/11/44/472401144.db2.gz HOVNEGZZVQPUPX-UHFFFAOYSA-N 1 2 339.355 2.550 20 5 EFBDLO Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH+]1 ZINC000097020781 472411535 /nfs/dbraw/zinc/41/15/35/472411535.db2.gz CBMBJPYXGQMLER-CYBMUJFWSA-N 1 2 340.387 2.656 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045603529 472432534 /nfs/dbraw/zinc/43/25/34/472432534.db2.gz FLQMBAJWULOYIC-UHFFFAOYSA-N 1 2 339.395 2.861 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045849541 472473384 /nfs/dbraw/zinc/47/33/84/472473384.db2.gz CRMYJICWUNEJHN-UHFFFAOYSA-N 1 2 341.371 2.912 20 5 EFBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118643 472515365 /nfs/dbraw/zinc/51/53/65/472515365.db2.gz FZFGVYGIOMULSR-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO CN(C)c1[nH+]cccc1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058244220 472524546 /nfs/dbraw/zinc/52/45/46/472524546.db2.gz GWGOTBFWNPGARS-SOFGYWHQSA-N 1 2 344.346 2.525 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000129475561 472546354 /nfs/dbraw/zinc/54/63/54/472546354.db2.gz WIPKGSULIYITEO-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000129475561 472546360 /nfs/dbraw/zinc/54/63/60/472546360.db2.gz WIPKGSULIYITEO-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000155456193 472552313 /nfs/dbraw/zinc/55/23/13/472552313.db2.gz NSKMPNBPYPQZKE-UHFFFAOYSA-N 1 2 334.401 2.996 20 5 EFBDLO Cc1c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000058368605 472556647 /nfs/dbraw/zinc/55/66/47/472556647.db2.gz UZZLEYLBTKWTNN-UHFFFAOYSA-N 1 2 335.404 2.956 20 5 EFBDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000155506656 472559897 /nfs/dbraw/zinc/55/98/97/472559897.db2.gz UPKHQIADMFEPJD-UHFFFAOYSA-N 1 2 325.384 2.764 20 5 EFBDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155708729 472600210 /nfs/dbraw/zinc/60/02/10/472600210.db2.gz MOCTUEUHDYKGOB-UHFFFAOYSA-N 1 2 328.372 2.817 20 5 EFBDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155708729 472600216 /nfs/dbraw/zinc/60/02/16/472600216.db2.gz MOCTUEUHDYKGOB-UHFFFAOYSA-N 1 2 328.372 2.817 20 5 EFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1nccs1 ZINC000155718791 472601910 /nfs/dbraw/zinc/60/19/10/472601910.db2.gz XUSMSOQDYBMHPN-UHFFFAOYSA-N 1 2 332.385 2.654 20 5 EFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1nccs1 ZINC000155718791 472601914 /nfs/dbraw/zinc/60/19/14/472601914.db2.gz XUSMSOQDYBMHPN-UHFFFAOYSA-N 1 2 332.385 2.654 20 5 EFBDLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000071912058 472617393 /nfs/dbraw/zinc/61/73/93/472617393.db2.gz MQWSFTZAAFHTRR-RYUDHWBXSA-N 1 2 346.391 2.744 20 5 EFBDLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000071912058 472617395 /nfs/dbraw/zinc/61/73/95/472617395.db2.gz MQWSFTZAAFHTRR-RYUDHWBXSA-N 1 2 346.391 2.744 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000046944467 472626503 /nfs/dbraw/zinc/62/65/03/472626503.db2.gz PNRSBRYLZPLHTD-UHFFFAOYSA-N 1 2 345.359 2.622 20 5 EFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120143987 472639058 /nfs/dbraw/zinc/63/90/58/472639058.db2.gz PBTHYWMBNHYXOH-AWEZNQCLSA-N 1 2 348.334 2.590 20 5 EFBDLO CNC(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000060372385 472648038 /nfs/dbraw/zinc/64/80/38/472648038.db2.gz NYKGRYYQXNUDGC-UHFFFAOYSA-N 1 2 343.387 2.654 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000072289394 472651642 /nfs/dbraw/zinc/65/16/42/472651642.db2.gz CRCCQYOFFHPLNY-UHFFFAOYSA-N 1 2 340.343 2.600 20 5 EFBDLO CCCc1[nH]nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000072291644 472652659 /nfs/dbraw/zinc/65/26/59/472652659.db2.gz JITFWOHVPOPKQY-UHFFFAOYSA-N 1 2 340.343 2.913 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120248709 472656628 /nfs/dbraw/zinc/65/66/28/472656628.db2.gz XHDOPPKUXKZEOC-CYBMUJFWSA-N 1 2 345.315 2.594 20 5 EFBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131218582 472657151 /nfs/dbraw/zinc/65/71/51/472657151.db2.gz OYODZZOMPKYCIO-OAHLLOKOSA-N 1 2 329.356 2.565 20 5 EFBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131218582 472657153 /nfs/dbraw/zinc/65/71/53/472657153.db2.gz OYODZZOMPKYCIO-OAHLLOKOSA-N 1 2 329.356 2.565 20 5 EFBDLO 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CC1CCN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135234381 473040534 /nfs/dbraw/zinc/04/05/34/473040534.db2.gz NXIODVIIZWHMRQ-UHFFFAOYSA-N 1 2 331.416 2.818 20 5 EFBDLO CC1CCN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135234381 473040538 /nfs/dbraw/zinc/04/05/38/473040538.db2.gz NXIODVIIZWHMRQ-UHFFFAOYSA-N 1 2 331.416 2.818 20 5 EFBDLO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000051827964 473069235 /nfs/dbraw/zinc/06/92/35/473069235.db2.gz QDSRWDRZRCHZIM-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])c[nH]1 ZINC000051864871 473070472 /nfs/dbraw/zinc/07/04/72/473070472.db2.gz CGWMQVPDBRZBEZ-UHFFFAOYSA-N 1 2 335.389 2.618 20 5 EFBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000122965673 473080709 /nfs/dbraw/zinc/08/07/09/473080709.db2.gz FZLMLAGCWINONQ-JTQLQIEISA-N 1 2 347.327 2.548 20 5 EFBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000122965673 473080716 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ZINC000123389002 473135267 /nfs/dbraw/zinc/13/52/67/473135267.db2.gz HCQNSMQLQMZBHB-JTQLQIEISA-N 1 2 349.774 2.829 20 5 EFBDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000123389002 473135274 /nfs/dbraw/zinc/13/52/74/473135274.db2.gz HCQNSMQLQMZBHB-JTQLQIEISA-N 1 2 349.774 2.829 20 5 EFBDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123409905 473138081 /nfs/dbraw/zinc/13/80/81/473138081.db2.gz BXNIJQQNEWCKNN-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123409905 473138085 /nfs/dbraw/zinc/13/80/85/473138085.db2.gz BXNIJQQNEWCKNN-LLVKDONJSA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123410101 473138148 /nfs/dbraw/zinc/13/81/48/473138148.db2.gz BXNIJQQNEWCKNN-NSHDSACASA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123410101 473138154 /nfs/dbraw/zinc/13/81/54/473138154.db2.gz 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C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000177724661 473423335 /nfs/dbraw/zinc/42/33/35/473423335.db2.gz XMZUVDBAOKSTKJ-WFASDCNBSA-N 1 2 329.360 2.906 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000178225771 473477233 /nfs/dbraw/zinc/47/72/33/473477233.db2.gz LRNWQUOVMZHYRB-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO Cc1cc[nH+]c(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000166022232 473520846 /nfs/dbraw/zinc/52/08/46/473520846.db2.gz KWBACOHRYXLCAR-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000166314378 473523891 /nfs/dbraw/zinc/52/38/91/473523891.db2.gz QDQVBBNUFHIUDF-UHFFFAOYSA-N 1 2 349.774 2.799 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000126567310 473528151 /nfs/dbraw/zinc/52/81/51/473528151.db2.gz KGNWEXWAKHHJQP-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154398 473536943 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20 5 EFBDLO Cn1c2ccccc2[nH+]c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178799176 473565782 /nfs/dbraw/zinc/56/57/82/473565782.db2.gz MOVMMVOTBRCJCJ-UHFFFAOYSA-N 1 2 337.383 2.808 20 5 EFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCCNc3cccc[nH+]3)cc2N1 ZINC000170639672 473570769 /nfs/dbraw/zinc/57/07/69/473570769.db2.gz QFKIJCCRYLVMGC-UHFFFAOYSA-N 1 2 341.371 2.789 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127713695 473642454 /nfs/dbraw/zinc/64/24/54/473642454.db2.gz YHNDFYOAVNXWFU-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127713695 473642462 /nfs/dbraw/zinc/64/24/62/473642462.db2.gz YHNDFYOAVNXWFU-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000170908734 473643856 /nfs/dbraw/zinc/64/38/56/473643856.db2.gz GWELMNCZHQIBGK-INIZCTEOSA-N 1 2 347.415 2.625 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000170908734 473643861 /nfs/dbraw/zinc/64/38/61/473643861.db2.gz GWELMNCZHQIBGK-INIZCTEOSA-N 1 2 347.415 2.625 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127714191 473644259 /nfs/dbraw/zinc/64/42/59/473644259.db2.gz TTZPKFIDTCLUQI-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127714191 473644263 /nfs/dbraw/zinc/64/42/63/473644263.db2.gz TTZPKFIDTCLUQI-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000192256537 473658279 /nfs/dbraw/zinc/65/82/79/473658279.db2.gz NOGJWPRFJQDELN-UHFFFAOYSA-N 1 2 344.415 2.835 20 5 EFBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127906020 473662584 /nfs/dbraw/zinc/66/25/84/473662584.db2.gz JIUUAHQDVAQSRW-ZDUSSCGKSA-N 1 2 328.372 2.646 20 5 EFBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127906020 473662589 /nfs/dbraw/zinc/66/25/89/473662589.db2.gz JIUUAHQDVAQSRW-ZDUSSCGKSA-N 1 2 328.372 2.646 20 5 EFBDLO CCN(CC)c1ccc(CNc2c([N+](=O)[O-])c(C)nn2CC)c[nH+]1 ZINC000192501014 473686380 /nfs/dbraw/zinc/68/63/80/473686380.db2.gz RDCYIQDRCXHNJA-UHFFFAOYSA-N 1 2 332.408 2.973 20 5 EFBDLO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179541263 473693393 /nfs/dbraw/zinc/69/33/93/473693393.db2.gz MKLMPBHJYAYRMO-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000179589905 473697232 /nfs/dbraw/zinc/69/72/32/473697232.db2.gz XFMGEMWCIMOPOL-UHFFFAOYSA-N 1 2 341.367 2.646 20 5 EFBDLO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000269329228 473774939 /nfs/dbraw/zinc/77/49/39/473774939.db2.gz DXQSRXRRIIELBI-JTQLQIEISA-N 1 2 332.364 2.532 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000269329228 473774946 /nfs/dbraw/zinc/77/49/46/473774946.db2.gz DXQSRXRRIIELBI-JTQLQIEISA-N 1 2 332.364 2.532 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784050 /nfs/dbraw/zinc/78/40/50/473784050.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784060 /nfs/dbraw/zinc/78/40/60/473784060.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784067 /nfs/dbraw/zinc/78/40/67/473784067.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784077 /nfs/dbraw/zinc/78/40/77/473784077.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784084 /nfs/dbraw/zinc/78/40/84/473784084.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000274331985 473784091 /nfs/dbraw/zinc/78/40/91/473784091.db2.gz RGBOMIHPMYHDOT-LLVKDONJSA-N 1 2 349.366 2.549 20 5 EFBDLO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000180043729 473784996 /nfs/dbraw/zinc/78/49/96/473784996.db2.gz GWILRKWGGVBRJU-HUUCEWRRSA-N 1 2 338.404 2.584 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000274391630 473804527 /nfs/dbraw/zinc/80/45/27/473804527.db2.gz PPFSFXUNULVHRV-UHFFFAOYSA-N 1 2 349.774 2.799 20 5 EFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281728810 473820900 /nfs/dbraw/zinc/82/09/00/473820900.db2.gz ISZPEAAEDDXZRK-HNNXBMFYSA-N 1 2 344.371 2.884 20 5 EFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050766 473834270 /nfs/dbraw/zinc/83/42/70/473834270.db2.gz ADQDPGPYBKHMQT-CQSZACIVSA-N 1 2 345.359 2.746 20 5 EFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050766 473834277 /nfs/dbraw/zinc/83/42/77/473834277.db2.gz ADQDPGPYBKHMQT-CQSZACIVSA-N 1 2 345.359 2.746 20 5 EFBDLO C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000194174980 473855064 /nfs/dbraw/zinc/85/50/64/473855064.db2.gz ORAOMCKFJLIJQG-UHFFFAOYSA-N 1 2 349.337 2.621 20 5 EFBDLO C[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000194174980 473855067 /nfs/dbraw/zinc/85/50/67/473855067.db2.gz ORAOMCKFJLIJQG-UHFFFAOYSA-N 1 2 349.337 2.621 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000269682043 473858483 /nfs/dbraw/zinc/85/84/83/473858483.db2.gz YKPCZLSCVUQCJL-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000269682043 473858492 /nfs/dbraw/zinc/85/84/92/473858492.db2.gz YKPCZLSCVUQCJL-ROUUACIJSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000180460881 473883802 /nfs/dbraw/zinc/88/38/02/473883802.db2.gz GYPRKFXRWOIFHL-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CC(=O)c1ccc(N(C)CC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000269910657 473914327 /nfs/dbraw/zinc/91/43/27/473914327.db2.gz VTMHSVOCVJUKCY-UHFFFAOYSA-N 1 2 349.431 2.592 20 5 EFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263954587 473918409 /nfs/dbraw/zinc/91/84/09/473918409.db2.gz RKNJKTHXPOXAFK-SNVBAGLBSA-N 1 2 334.763 2.991 20 5 EFBDLO CSc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000188215939 474021277 /nfs/dbraw/zinc/02/12/77/474021277.db2.gz VPYXMLWTWDWLFX-UHFFFAOYSA-N 1 2 342.380 2.894 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2occc2C1 ZINC000288721270 474030922 /nfs/dbraw/zinc/03/09/22/474030922.db2.gz FWDBPIFDIDFIFC-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCc2occc2C1 ZINC000288721270 474030926 /nfs/dbraw/zinc/03/09/26/474030926.db2.gz FWDBPIFDIDFIFC-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195307150 474055689 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20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268423782 474970021 /nfs/dbraw/zinc/97/00/21/474970021.db2.gz DDVWLPWIMUVLAJ-ZDUSSCGKSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268423782 474970027 /nfs/dbraw/zinc/97/00/27/474970027.db2.gz DDVWLPWIMUVLAJ-ZDUSSCGKSA-N 1 2 345.403 2.800 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268423782 474970033 /nfs/dbraw/zinc/97/00/33/474970033.db2.gz DDVWLPWIMUVLAJ-ZDUSSCGKSA-N 1 2 345.403 2.800 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000285321309 474971961 /nfs/dbraw/zinc/97/19/61/474971961.db2.gz IXRQFMRLBSYNNA-OAHLLOKOSA-N 1 2 346.387 2.933 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000285321309 474971967 /nfs/dbraw/zinc/97/19/67/474971967.db2.gz IXRQFMRLBSYNNA-OAHLLOKOSA-N 1 2 346.387 2.933 20 5 EFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268436239 474977616 /nfs/dbraw/zinc/97/76/16/474977616.db2.gz FZBJVZUBKMDLQT-DYVFJYSZSA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268436239 474977619 /nfs/dbraw/zinc/97/76/19/474977619.db2.gz FZBJVZUBKMDLQT-DYVFJYSZSA-N 1 2 330.388 2.637 20 5 EFBDLO CCc1nocc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293475943 474998222 /nfs/dbraw/zinc/99/82/22/474998222.db2.gz RMRZTGQJTHDROV-UHFFFAOYSA-N 1 2 333.344 2.644 20 5 EFBDLO CCc1nocc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293475943 474998229 /nfs/dbraw/zinc/99/82/29/474998229.db2.gz RMRZTGQJTHDROV-UHFFFAOYSA-N 1 2 333.344 2.644 20 5 EFBDLO CN(C)c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000345232074 475013806 /nfs/dbraw/zinc/01/38/06/475013806.db2.gz FOLRCADXGFXIGS-UHFFFAOYSA-N 1 2 334.763 2.639 20 5 EFBDLO Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268505280 475018291 /nfs/dbraw/zinc/01/82/91/475018291.db2.gz QUHREJFTJOEOJN-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505682 475018679 /nfs/dbraw/zinc/01/86/79/475018679.db2.gz BYNHDPQXAKCEOA-WCQYABFASA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000268505682 475018686 /nfs/dbraw/zinc/01/86/86/475018686.db2.gz BYNHDPQXAKCEOA-WCQYABFASA-N 1 2 332.360 2.644 20 5 EFBDLO CCOC(=O)c1ccnc(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000280457408 475024956 /nfs/dbraw/zinc/02/49/56/475024956.db2.gz LTEMWKCPXONXOU-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000337482877 475058219 /nfs/dbraw/zinc/05/82/19/475058219.db2.gz XCRSZTWMYSSNPB-LLVKDONJSA-N 1 2 327.331 2.901 20 5 EFBDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000337482877 475058227 /nfs/dbraw/zinc/05/82/27/475058227.db2.gz XCRSZTWMYSSNPB-LLVKDONJSA-N 1 2 327.331 2.901 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC000295960198 475144097 /nfs/dbraw/zinc/14/40/97/475144097.db2.gz IBPXMAGYHFVGBP-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000273983293 475148163 /nfs/dbraw/zinc/14/81/63/475148163.db2.gz VIRFOGSPVWOPDE-LBPRGKRZSA-N 1 2 348.378 2.661 20 5 EFBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341613187 475184278 /nfs/dbraw/zinc/18/42/78/475184278.db2.gz IQFVVTSCFPXAMV-LLVKDONJSA-N 1 2 337.326 2.728 20 5 EFBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341613187 475184282 /nfs/dbraw/zinc/18/42/82/475184282.db2.gz IQFVVTSCFPXAMV-LLVKDONJSA-N 1 2 337.326 2.728 20 5 EFBDLO CCc1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]1 ZINC000296174183 475215090 /nfs/dbraw/zinc/21/50/90/475215090.db2.gz XJRIJVJZDHLPSU-UHFFFAOYSA-N 1 2 330.175 2.872 20 5 EFBDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000296188443 475219859 /nfs/dbraw/zinc/21/98/59/475219859.db2.gz ISLQYYNUQKYEJU-SNVBAGLBSA-N 1 2 329.809 2.624 20 5 EFBDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000296188443 475219862 /nfs/dbraw/zinc/21/98/62/475219862.db2.gz ISLQYYNUQKYEJU-SNVBAGLBSA-N 1 2 329.809 2.624 20 5 EFBDLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc([N+](=O)[O-])c1C ZINC000341689708 475224936 /nfs/dbraw/zinc/22/49/36/475224936.db2.gz MAUQKGXCVUDFLS-OAHLLOKOSA-N 1 2 344.371 2.526 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341724488 475252254 /nfs/dbraw/zinc/25/22/54/475252254.db2.gz ZSELEEJCOXNRDP-OAHLLOKOSA-N 1 2 346.412 2.688 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000347429495 475311837 /nfs/dbraw/zinc/31/18/37/475311837.db2.gz ZRZOGGISHVLBJK-RKDXNWHRSA-N 1 2 343.225 2.590 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000347429495 475311844 /nfs/dbraw/zinc/31/18/44/475311844.db2.gz ZRZOGGISHVLBJK-RKDXNWHRSA-N 1 2 343.225 2.590 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339578687 475320155 /nfs/dbraw/zinc/32/01/55/475320155.db2.gz DZKJGSDOIVRJOC-VURMDHGXSA-N 1 2 335.367 2.979 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296452895 475321471 /nfs/dbraw/zinc/32/14/71/475321471.db2.gz ZHBAGMPYEFOPKJ-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296465214 475327431 /nfs/dbraw/zinc/32/74/31/475327431.db2.gz VPXZUTRHTBQUOQ-CQSZACIVSA-N 1 2 343.387 2.621 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339600966 475337748 /nfs/dbraw/zinc/33/77/48/475337748.db2.gz KWUSGOHDVJFBJQ-LLVKDONJSA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339600966 475337755 /nfs/dbraw/zinc/33/77/55/475337755.db2.gz KWUSGOHDVJFBJQ-LLVKDONJSA-N 1 2 332.360 2.604 20 5 EFBDLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361383981 475402824 /nfs/dbraw/zinc/40/28/24/475402824.db2.gz BEKXRNBCDZBRRG-KRWDZBQOSA-N 1 2 337.379 2.931 20 5 EFBDLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361383981 475402832 /nfs/dbraw/zinc/40/28/32/475402832.db2.gz BEKXRNBCDZBRRG-KRWDZBQOSA-N 1 2 337.379 2.931 20 5 EFBDLO COC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000339699308 475421467 /nfs/dbraw/zinc/42/14/67/475421467.db2.gz AILVPZXMYPXHIG-OAHLLOKOSA-N 1 2 328.372 2.619 20 5 EFBDLO CCn1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000296689786 475430871 /nfs/dbraw/zinc/43/08/71/475430871.db2.gz HLDPCFVUZJDDNC-UHFFFAOYSA-N 1 2 343.309 2.823 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccncc1F ZINC000337954717 475458916 /nfs/dbraw/zinc/45/89/16/475458916.db2.gz SYAIVWVDSIXAMW-SNVBAGLBSA-N 1 2 333.319 2.846 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000361472689 475476984 /nfs/dbraw/zinc/47/69/84/475476984.db2.gz DQQMRWMARLAPSM-UHFFFAOYSA-N 1 2 339.355 2.854 20 5 EFBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352667265 475510506 /nfs/dbraw/zinc/51/05/06/475510506.db2.gz JOXNRRAANFZADG-WMLDXEAASA-N 1 2 349.431 2.533 20 5 EFBDLO COc1cccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352705800 475549529 /nfs/dbraw/zinc/54/95/29/475549529.db2.gz LLVWQDBPSBGSQS-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1cccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352705800 475549535 /nfs/dbraw/zinc/54/95/35/475549535.db2.gz LLVWQDBPSBGSQS-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccco1 ZINC000346290112 475581826 /nfs/dbraw/zinc/58/18/26/475581826.db2.gz HBQAESHXWYVRCO-UHFFFAOYSA-N 1 2 343.383 2.988 20 5 EFBDLO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccco1 ZINC000346290112 475581833 /nfs/dbraw/zinc/58/18/33/475581833.db2.gz HBQAESHXWYVRCO-UHFFFAOYSA-N 1 2 343.383 2.988 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332299767 475593075 /nfs/dbraw/zinc/59/30/75/475593075.db2.gz HCHOFOPCBRYZME-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@@H](C)C1 ZINC000332299767 475593082 /nfs/dbraw/zinc/59/30/82/475593082.db2.gz HCHOFOPCBRYZME-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000348332826 475599922 /nfs/dbraw/zinc/59/99/22/475599922.db2.gz XQXWYANNJJEUHZ-UHFFFAOYSA-N 1 2 333.369 2.650 20 5 EFBDLO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352791170 475627770 /nfs/dbraw/zinc/62/77/70/475627770.db2.gz XYKMTGZENNGHNK-OAHLLOKOSA-N 1 2 339.355 2.518 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346520667 475630179 /nfs/dbraw/zinc/63/01/79/475630179.db2.gz NRPBXHXDPGAMAG-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346520667 475630183 /nfs/dbraw/zinc/63/01/83/475630183.db2.gz NRPBXHXDPGAMAG-KRWDZBQOSA-N 1 2 344.367 2.820 20 5 EFBDLO CCc1ccc([C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346567895 475664180 /nfs/dbraw/zinc/66/41/80/475664180.db2.gz VQHQUXGVEDLOQN-ACJLOTCBSA-N 1 2 343.383 2.660 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000332620207 475691251 /nfs/dbraw/zinc/69/12/51/475691251.db2.gz HORZAQHJOJXLGJ-ZDUSSCGKSA-N 1 2 342.399 2.834 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340040418 475707737 /nfs/dbraw/zinc/70/77/37/475707737.db2.gz HMAINSYYALOAQH-UHFFFAOYSA-N 1 2 325.246 2.991 20 5 EFBDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355163451 475710735 /nfs/dbraw/zinc/71/07/35/475710735.db2.gz YBPUWIKFTCRNHS-UHFFFAOYSA-N 1 2 343.265 2.669 20 5 EFBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348526693 475727009 /nfs/dbraw/zinc/72/70/09/475727009.db2.gz VTSVRWSMCHJGKN-QGZVFWFLSA-N 1 2 337.379 2.931 20 5 EFBDLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348526693 475727016 /nfs/dbraw/zinc/72/70/16/475727016.db2.gz VTSVRWSMCHJGKN-QGZVFWFLSA-N 1 2 337.379 2.931 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000338280171 475741258 /nfs/dbraw/zinc/74/12/58/475741258.db2.gz RDAXKEVIQOAJBI-UHFFFAOYSA-N 1 2 332.385 2.554 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000353193832 475760134 /nfs/dbraw/zinc/76/01/34/475760134.db2.gz CBFZALALKAVPDP-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000353193832 475760141 /nfs/dbraw/zinc/76/01/41/475760141.db2.gz CBFZALALKAVPDP-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361840013 475798853 /nfs/dbraw/zinc/79/88/53/475798853.db2.gz OGJJJADWXXZANJ-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361840013 475798858 /nfs/dbraw/zinc/79/88/58/475798858.db2.gz OGJJJADWXXZANJ-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000340148838 475799716 /nfs/dbraw/zinc/79/97/16/475799716.db2.gz CFPLRMZOQRLGKX-UHFFFAOYSA-N 1 2 332.341 2.580 20 5 EFBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000361840871 475800167 /nfs/dbraw/zinc/80/01/67/475800167.db2.gz YZQQLABMFFNDTB-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000361840871 475800176 /nfs/dbraw/zinc/80/01/76/475800176.db2.gz YZQQLABMFFNDTB-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000355294182 475805472 /nfs/dbraw/zinc/80/54/72/475805472.db2.gz ARDRBGWYEFMNGU-UHFFFAOYSA-N 1 2 334.401 2.723 20 5 EFBDLO COCc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000297608059 475826744 /nfs/dbraw/zinc/82/67/44/475826744.db2.gz GGFRMCIDKVKKKE-UHFFFAOYSA-N 1 2 347.371 2.773 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340205552 475855645 /nfs/dbraw/zinc/85/56/45/475855645.db2.gz YYZLWKQHGMVSKM-OCCSQVGLSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340205552 475855649 /nfs/dbraw/zinc/85/56/49/475855649.db2.gz YYZLWKQHGMVSKM-OCCSQVGLSA-N 1 2 348.321 2.881 20 5 EFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(NCC2CC2)[nH+]cn1 ZINC000343239926 475879822 /nfs/dbraw/zinc/87/98/22/475879822.db2.gz SHIHNFDTBRFALC-UHFFFAOYSA-N 1 2 327.388 2.886 20 5 EFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(NCC2CC2)nc[nH+]1 ZINC000343239926 475879827 /nfs/dbraw/zinc/87/98/27/475879827.db2.gz SHIHNFDTBRFALC-UHFFFAOYSA-N 1 2 327.388 2.886 20 5 EFBDLO Cc1cc(N(C)[C@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343285182 475919176 /nfs/dbraw/zinc/91/91/76/475919176.db2.gz KPKJHFCNWIVYST-LSDHHAIUSA-N 1 2 328.372 2.710 20 5 EFBDLO COc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000297913373 475923280 /nfs/dbraw/zinc/92/32/80/475923280.db2.gz SUHVXCXOVXEXSM-UHFFFAOYSA-N 1 2 343.330 2.519 20 5 EFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340317250 475942502 /nfs/dbraw/zinc/94/25/02/475942502.db2.gz VQOTWEBIQKMDNR-CQSZACIVSA-N 1 2 329.385 2.696 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343343268 475967557 /nfs/dbraw/zinc/96/75/57/475967557.db2.gz XWKJULIULIGPCR-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343345720 475971709 /nfs/dbraw/zinc/97/17/09/475971709.db2.gz FDPLCRVAUFVTHE-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO CCn1cc(C[N@H+](CCO)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000355481756 475975477 /nfs/dbraw/zinc/97/54/77/475975477.db2.gz FHKONEGDNGQOEJ-UHFFFAOYSA-N 1 2 346.431 2.929 20 5 EFBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000355481756 475975483 /nfs/dbraw/zinc/97/54/83/475975483.db2.gz FHKONEGDNGQOEJ-UHFFFAOYSA-N 1 2 346.431 2.929 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343378920 476002626 /nfs/dbraw/zinc/00/26/26/476002626.db2.gz WFYNVSNRYIGHNV-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO Cc1noc(C)c1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499597 476024124 /nfs/dbraw/zinc/02/41/24/476024124.db2.gz VNWSVXPSDPNUGX-INIZCTEOSA-N 1 2 341.371 2.812 20 5 EFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000358973897 476080577 /nfs/dbraw/zinc/08/05/77/476080577.db2.gz INOJXCLZVHFPNT-HNNXBMFYSA-N 1 2 341.411 2.774 20 5 EFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000358973897 476080588 /nfs/dbraw/zinc/08/05/88/476080588.db2.gz INOJXCLZVHFPNT-HNNXBMFYSA-N 1 2 341.411 2.774 20 5 EFBDLO COc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1C ZINC000350175779 476081758 /nfs/dbraw/zinc/08/17/58/476081758.db2.gz JIFALCRMHAVCSK-UHFFFAOYSA-N 1 2 326.312 2.812 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353659238 476165234 /nfs/dbraw/zinc/16/52/34/476165234.db2.gz PUUBAXDTTKKGLQ-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO Cc1c(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000353666808 476170812 /nfs/dbraw/zinc/17/08/12/476170812.db2.gz QWNMJESEZHVGHR-OAHLLOKOSA-N 1 2 326.360 2.572 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000357033113 476173663 /nfs/dbraw/zinc/17/36/63/476173663.db2.gz DVNMMTQHLCVVBJ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000357033113 476173668 /nfs/dbraw/zinc/17/36/68/476173668.db2.gz DVNMMTQHLCVVBJ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO Cc1c(Br)c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000338784578 476183075 /nfs/dbraw/zinc/18/30/75/476183075.db2.gz LSBJBRUZQPQBLE-RKDXNWHRSA-N 1 2 343.225 2.590 20 5 EFBDLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353685743 476188876 /nfs/dbraw/zinc/18/88/76/476188876.db2.gz OGJSELAIRJXREY-LBPRGKRZSA-N 1 2 347.371 2.676 20 5 EFBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353685743 476188882 /nfs/dbraw/zinc/18/88/82/476188882.db2.gz OGJSELAIRJXREY-LBPRGKRZSA-N 1 2 347.371 2.676 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000344278751 476211810 /nfs/dbraw/zinc/21/18/10/476211810.db2.gz XWBXIWJAAPYPNV-UHFFFAOYSA-N 1 2 329.331 2.826 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000344278751 476211817 /nfs/dbraw/zinc/21/18/17/476211817.db2.gz XWBXIWJAAPYPNV-UHFFFAOYSA-N 1 2 329.331 2.826 20 5 EFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000337028585 476270901 /nfs/dbraw/zinc/27/09/01/476270901.db2.gz WZHWIIZRDPQAIC-UHFFFAOYSA-N 1 2 347.396 2.741 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000357184818 476281431 /nfs/dbraw/zinc/28/14/31/476281431.db2.gz INLLQDZEKKQRFY-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000357184818 476281433 /nfs/dbraw/zinc/28/14/33/476281433.db2.gz INLLQDZEKKQRFY-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000353813841 476285910 /nfs/dbraw/zinc/28/59/10/476285910.db2.gz HYOAEMSYBWNGJS-SPSFWMDKSA-N 1 2 334.397 2.808 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000353813841 476285914 /nfs/dbraw/zinc/28/59/14/476285914.db2.gz HYOAEMSYBWNGJS-SPSFWMDKSA-N 1 2 334.397 2.808 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362526796 476297448 /nfs/dbraw/zinc/29/74/48/476297448.db2.gz VIVNPNBHMCNTBW-IVZVJUQRSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362526796 476297450 /nfs/dbraw/zinc/29/74/50/476297450.db2.gz VIVNPNBHMCNTBW-IVZVJUQRSA-N 1 2 332.400 2.735 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCCCCNc3cccc[nH+]3)c21 ZINC000357300236 476321973 /nfs/dbraw/zinc/32/19/73/476321973.db2.gz HBDJHCQQOQSYGT-UHFFFAOYSA-N 1 2 338.371 2.659 20 5 EFBDLO Cc1cccc2[nH+]c(CNc3ncnc4cccc([N+](=O)[O-])c43)cn21 ZINC000357333088 476334407 /nfs/dbraw/zinc/33/44/07/476334407.db2.gz GHRRBGGQTUOAQH-UHFFFAOYSA-N 1 2 334.339 2.528 20 5 EFBDLO CC[C@@H]1C[N@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000362679398 476349022 /nfs/dbraw/zinc/34/90/22/476349022.db2.gz FHLVLWSBTOMFDS-SNVBAGLBSA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@@H]1C[N@@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000362679398 476349026 /nfs/dbraw/zinc/34/90/26/476349026.db2.gz FHLVLWSBTOMFDS-SNVBAGLBSA-N 1 2 348.325 2.531 20 5 EFBDLO Cc1cc(N2CC[C@H](CO)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362682219 476349801 /nfs/dbraw/zinc/34/98/01/476349801.db2.gz XJODYDDHRIZLMO-TZMCWYRMSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1ccn2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000357429641 476377913 /nfs/dbraw/zinc/37/79/13/476377913.db2.gz VKFKBWLWBDZPQA-UHFFFAOYSA-N 1 2 342.330 2.549 20 5 EFBDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354031783 476379658 /nfs/dbraw/zinc/37/96/58/476379658.db2.gz OVHKKNLMEPTSMY-ZDUSSCGKSA-N 1 2 340.445 2.737 20 5 EFBDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354031783 476379663 /nfs/dbraw/zinc/37/96/63/476379663.db2.gz OVHKKNLMEPTSMY-ZDUSSCGKSA-N 1 2 340.445 2.737 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc2[nH+]ccn21 ZINC000357454680 476394500 /nfs/dbraw/zinc/39/45/00/476394500.db2.gz OXMTYDPJXWYDSF-UHFFFAOYSA-N 1 2 335.323 2.836 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH+]ccn21 ZINC000357458686 476397032 /nfs/dbraw/zinc/39/70/32/476397032.db2.gz YIFKRILPBRTHCK-UHFFFAOYSA-N 1 2 328.353 2.973 20 5 EFBDLO C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC000351446863 476461707 /nfs/dbraw/zinc/46/17/07/476461707.db2.gz TYFOOZNDRUPZRC-LBPRGKRZSA-N 1 2 342.359 2.633 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCNc1ccc2ccccc2[nH+]1 ZINC000360954754 476502241 /nfs/dbraw/zinc/50/22/41/476502241.db2.gz TYFGDTOYHRRHPM-UHFFFAOYSA-N 1 2 340.387 2.614 20 5 EFBDLO CCc1[nH]nc(C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)c1[N+](=O)[O-] ZINC000365515026 476599614 /nfs/dbraw/zinc/59/96/14/476599614.db2.gz SJEHNONFAFDCSQ-UHFFFAOYSA-N 1 2 340.343 2.831 20 5 EFBDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369998463 476623907 /nfs/dbraw/zinc/62/39/07/476623907.db2.gz RWDUGYZUKYHVNI-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369998463 476623912 /nfs/dbraw/zinc/62/39/12/476623912.db2.gz RWDUGYZUKYHVNI-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000370044440 476645524 /nfs/dbraw/zinc/64/55/24/476645524.db2.gz CYJUTKVGXSMGPE-ZDUSSCGKSA-N 1 2 346.362 2.562 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000370044440 476645528 /nfs/dbraw/zinc/64/55/28/476645528.db2.gz CYJUTKVGXSMGPE-ZDUSSCGKSA-N 1 2 346.362 2.562 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000370053245 476649501 /nfs/dbraw/zinc/64/95/01/476649501.db2.gz MXWHNRFYEXBFPV-CYBMUJFWSA-N 1 2 332.360 2.542 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000370053245 476649506 /nfs/dbraw/zinc/64/95/06/476649506.db2.gz MXWHNRFYEXBFPV-CYBMUJFWSA-N 1 2 332.360 2.542 20 5 EFBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378338273 476694090 /nfs/dbraw/zinc/69/40/90/476694090.db2.gz XBKQQFOMOVKJQI-INIZCTEOSA-N 1 2 330.388 2.551 20 5 EFBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378338273 476694095 /nfs/dbraw/zinc/69/40/95/476694095.db2.gz XBKQQFOMOVKJQI-INIZCTEOSA-N 1 2 330.388 2.551 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000443406107 476713358 /nfs/dbraw/zinc/71/33/58/476713358.db2.gz DAGHSOMPWSJMBV-DAXSKMNVSA-N 1 2 330.413 2.887 20 5 EFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC3 ZINC000365834470 476721967 /nfs/dbraw/zinc/72/19/67/476721967.db2.gz IAHLRKVWTKUZKP-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC3 ZINC000365834470 476721973 /nfs/dbraw/zinc/72/19/73/476721973.db2.gz IAHLRKVWTKUZKP-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365911849 476761883 /nfs/dbraw/zinc/76/18/83/476761883.db2.gz GATHZGLEULJPNS-AATRIKPKSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365911849 476761890 /nfs/dbraw/zinc/76/18/90/476761890.db2.gz GATHZGLEULJPNS-AATRIKPKSA-N 1 2 326.356 2.737 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000430209221 476781931 /nfs/dbraw/zinc/78/19/31/476781931.db2.gz QPNZJJGMVGDUIT-UHFFFAOYSA-N 1 2 348.428 2.691 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000430229884 476786380 /nfs/dbraw/zinc/78/63/80/476786380.db2.gz VYCZGPRJOVHBQE-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000414242447 476876847 /nfs/dbraw/zinc/87/68/47/476876847.db2.gz PWMMEMQYKBVZSU-LBPRGKRZSA-N 1 2 334.397 2.849 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC000446734805 476913679 /nfs/dbraw/zinc/91/36/79/476913679.db2.gz HKGGVHMOZKUMHL-HBUWYVDXSA-N 1 2 345.443 2.894 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC000446734805 476913686 /nfs/dbraw/zinc/91/36/86/476913686.db2.gz HKGGVHMOZKUMHL-HBUWYVDXSA-N 1 2 345.443 2.894 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC000446734806 476913988 /nfs/dbraw/zinc/91/39/88/476913988.db2.gz HKGGVHMOZKUMHL-LBTNJELSSA-N 1 2 345.443 2.894 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC000446734806 476913992 /nfs/dbraw/zinc/91/39/92/476913992.db2.gz HKGGVHMOZKUMHL-LBTNJELSSA-N 1 2 345.443 2.894 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000452332622 476918970 /nfs/dbraw/zinc/91/89/70/476918970.db2.gz HVVUHIOIAPFXCX-UHFFFAOYSA-N 1 2 329.360 2.568 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccn(-c4ccccc4)n3)nc2c1 ZINC000446826126 476923274 /nfs/dbraw/zinc/92/32/74/476923274.db2.gz HLZJQFQFJCQOSQ-UHFFFAOYSA-N 1 2 348.366 2.947 20 5 EFBDLO CC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000366291178 476944248 /nfs/dbraw/zinc/94/42/48/476944248.db2.gz MHTYDORZCFXFCQ-WBVHZDCISA-N 1 2 347.415 2.853 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000370952624 477053779 /nfs/dbraw/zinc/05/37/79/477053779.db2.gz HLMJSJGZKGXCBN-NSHDSACASA-N 1 2 334.401 2.777 20 5 EFBDLO CC(C)OCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799189 477056069 /nfs/dbraw/zinc/05/60/69/477056069.db2.gz GEMDBUAOLQNMOW-UHFFFAOYSA-N 1 2 337.420 2.654 20 5 EFBDLO CC[C@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000447795954 477056631 /nfs/dbraw/zinc/05/66/31/477056631.db2.gz RMRAWKLQHJQGKR-JTQLQIEISA-N 1 2 349.309 2.567 20 5 EFBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000447800994 477059392 /nfs/dbraw/zinc/05/93/92/477059392.db2.gz AVQBUJJMTSZJNX-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000447808834 477061789 /nfs/dbraw/zinc/06/17/89/477061789.db2.gz WREWYKALYSMOSS-QGZVFWFLSA-N 1 2 337.420 2.510 20 5 EFBDLO COCC[N@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000447843964 477073640 /nfs/dbraw/zinc/07/36/40/477073640.db2.gz JNWJHSJXBRTVHD-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000447843964 477073649 /nfs/dbraw/zinc/07/36/49/477073649.db2.gz JNWJHSJXBRTVHD-UHFFFAOYSA-N 1 2 337.401 2.709 20 5 EFBDLO CCNc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000411051711 477097432 /nfs/dbraw/zinc/09/74/32/477097432.db2.gz ICNBQLNWWQRAFV-LLVKDONJSA-N 1 2 331.376 2.734 20 5 EFBDLO Cc1c(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000375949888 477097889 /nfs/dbraw/zinc/09/78/89/477097889.db2.gz VNSKFQMCDGZTME-OAHLLOKOSA-N 1 2 342.399 2.585 20 5 EFBDLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452852752 477107618 /nfs/dbraw/zinc/10/76/18/477107618.db2.gz NTVDHGBNVJOLHR-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452852752 477107622 /nfs/dbraw/zinc/10/76/22/477107622.db2.gz NTVDHGBNVJOLHR-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCOC[C@H](C)C1 ZINC000371099889 477122904 /nfs/dbraw/zinc/12/29/04/477122904.db2.gz MRQPWJXEPFXGTM-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCOC[C@H](C)C1 ZINC000371099889 477122907 /nfs/dbraw/zinc/12/29/07/477122907.db2.gz MRQPWJXEPFXGTM-GHMZBOCLSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCOC[C@H](C)C1 ZINC000371099891 477124006 /nfs/dbraw/zinc/12/40/06/477124006.db2.gz MRQPWJXEPFXGTM-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCOC[C@H](C)C1 ZINC000371099891 477124011 /nfs/dbraw/zinc/12/40/11/477124011.db2.gz MRQPWJXEPFXGTM-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000366683751 477130809 /nfs/dbraw/zinc/13/08/09/477130809.db2.gz COFVHWFYXZSCCH-LLVKDONJSA-N 1 2 332.335 2.546 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000366719997 477149551 /nfs/dbraw/zinc/14/95/51/477149551.db2.gz PWMZOENZZQMERW-GFCCVEGCSA-N 1 2 329.360 2.799 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000366719998 477149780 /nfs/dbraw/zinc/14/97/80/477149780.db2.gz PWMZOENZZQMERW-LBPRGKRZSA-N 1 2 329.360 2.799 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366736460 477159548 /nfs/dbraw/zinc/15/95/48/477159548.db2.gz CVCNJDDLDKHVTG-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO CCC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000453229545 477193483 /nfs/dbraw/zinc/19/34/83/477193483.db2.gz DDQPIBWIZQKKPM-HOCLYGCPSA-N 1 2 328.372 2.647 20 5 EFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000371246224 477198126 /nfs/dbraw/zinc/19/81/26/477198126.db2.gz BVAYLKCMKLIPMR-UHFFFAOYSA-N 1 2 340.343 2.519 20 5 EFBDLO CC(C)COCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448607715 477214299 /nfs/dbraw/zinc/21/42/99/477214299.db2.gz ZAZYRKNEUBEXBA-UHFFFAOYSA-N 1 2 346.387 2.573 20 5 EFBDLO C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000453404043 477222619 /nfs/dbraw/zinc/22/26/19/477222619.db2.gz HGEGKOHDUYXOOT-UHOFOFEASA-N 1 2 330.388 2.575 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000376202743 477226625 /nfs/dbraw/zinc/22/66/25/477226625.db2.gz FBDXQKLVZJLKNH-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000366938874 477266976 /nfs/dbraw/zinc/26/69/76/477266976.db2.gz RYGSPRAZDKEGND-ZDUSSCGKSA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000366938874 477266985 /nfs/dbraw/zinc/26/69/85/477266985.db2.gz RYGSPRAZDKEGND-ZDUSSCGKSA-N 1 2 336.779 2.635 20 5 EFBDLO Cc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000376318916 477281209 /nfs/dbraw/zinc/28/12/09/477281209.db2.gz MVBSRFHDTHZJAS-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO CC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000376394711 477313243 /nfs/dbraw/zinc/31/32/43/477313243.db2.gz IEUBQAXLTFRKEB-SJLPKXTDSA-N 1 2 347.415 2.853 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000433792740 477325730 /nfs/dbraw/zinc/32/57/30/477325730.db2.gz OSMAZRJNLZTPAB-UHFFFAOYSA-N 1 2 345.321 2.890 20 5 EFBDLO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1[N+](=O)[O-] ZINC000411760248 477357878 /nfs/dbraw/zinc/35/78/78/477357878.db2.gz RQKZLHWNBLKADY-UHFFFAOYSA-N 1 2 338.385 2.616 20 5 EFBDLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371535158 477376065 /nfs/dbraw/zinc/37/60/65/477376065.db2.gz BHMNKMRWBQCPNJ-LBPRGKRZSA-N 1 2 349.778 2.747 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454789223 477378098 /nfs/dbraw/zinc/37/80/98/477378098.db2.gz FJQAOTCFHPOOHZ-ZANVPECISA-N 1 2 349.778 2.950 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454789214 477378338 /nfs/dbraw/zinc/37/83/38/477378338.db2.gz FJQAOTCFHPOOHZ-NOZJJQNGSA-N 1 2 349.778 2.950 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000413022994 477474107 /nfs/dbraw/zinc/47/41/07/477474107.db2.gz HMXGSAIFDBDURX-QPJJXVBHSA-N 1 2 342.374 2.964 20 5 EFBDLO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000455097575 477498144 /nfs/dbraw/zinc/49/81/44/477498144.db2.gz CUVGZDVCLHQZNH-COPLHBTASA-N 1 2 329.360 2.858 20 5 EFBDLO CCCNC(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413102484 477518453 /nfs/dbraw/zinc/51/84/53/477518453.db2.gz KDJHWSOQGFFSQO-AWEZNQCLSA-N 1 2 342.399 2.886 20 5 EFBDLO CC1(C)C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413105409 477519872 /nfs/dbraw/zinc/51/98/72/477519872.db2.gz IEPVPZXBNQBIMY-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO CC1(C)C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413105409 477519878 /nfs/dbraw/zinc/51/98/78/477519878.db2.gz IEPVPZXBNQBIMY-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO COCCOC[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413161719 477548535 /nfs/dbraw/zinc/54/85/35/477548535.db2.gz DPLNJEKNJJCTAR-CYBMUJFWSA-N 1 2 331.372 2.632 20 5 EFBDLO CC(C)c1nncn1CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167809 477550907 /nfs/dbraw/zinc/55/09/07/477550907.db2.gz KKJWHYBDUUDRPR-UHFFFAOYSA-N 1 2 326.360 2.970 20 5 EFBDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449333229 477551594 /nfs/dbraw/zinc/55/15/94/477551594.db2.gz FXVJZOOUNMSVPK-NEPJUHHUSA-N 1 2 334.376 2.796 20 5 EFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000413193834 477564143 /nfs/dbraw/zinc/56/41/43/477564143.db2.gz HPFNOEBEQCYOKF-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000424971192 477579448 /nfs/dbraw/zinc/57/94/48/477579448.db2.gz QMLZDSXHXRQYOI-UONOGXRCSA-N 1 2 326.356 2.699 20 5 EFBDLO O=C1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000413234091 477583054 /nfs/dbraw/zinc/58/30/54/477583054.db2.gz DULXXAAFNZBFDZ-LLVKDONJSA-N 1 2 326.356 2.566 20 5 EFBDLO CC(=O)NCC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413299603 477618236 /nfs/dbraw/zinc/61/82/36/477618236.db2.gz MIFXKXQMJYCEQH-CQSZACIVSA-N 1 2 342.399 2.886 20 5 EFBDLO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436885001 477625913 /nfs/dbraw/zinc/62/59/13/477625913.db2.gz MBICLDXUMWGGFS-KBPBESRZSA-N 1 2 349.431 2.788 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000455460029 477642936 /nfs/dbraw/zinc/64/29/36/477642936.db2.gz BJZPEGSCAUKZIN-ZDUSSCGKSA-N 1 2 345.403 2.756 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455480631 477651976 /nfs/dbraw/zinc/65/19/76/477651976.db2.gz OHZAJJKZMRVBSD-OCCSQVGLSA-N 1 2 343.387 2.681 20 5 EFBDLO CCc1cc(NCCC(C)(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450627659 477659651 /nfs/dbraw/zinc/65/96/51/477659651.db2.gz IXXNVIMQNVUQAY-UHFFFAOYSA-N 1 2 344.415 2.857 20 5 EFBDLO CC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000450671967 477678761 /nfs/dbraw/zinc/67/87/61/477678761.db2.gz JLHDBXKVMOWJIH-CYBMUJFWSA-N 1 2 330.344 2.548 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000455560179 477684291 /nfs/dbraw/zinc/68/42/91/477684291.db2.gz PLYYZVNEBGXNMK-UHFFFAOYSA-N 1 2 343.387 2.518 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2[nH+]cccc2C)n1 ZINC000450724164 477697475 /nfs/dbraw/zinc/69/74/75/477697475.db2.gz LYJMCSVCDUBODZ-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO C[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CS1 ZINC000413517536 477709772 /nfs/dbraw/zinc/70/97/72/477709772.db2.gz MKYZLVITWQBYFQ-JSGCOSHPSA-N 1 2 337.445 2.733 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450830116 477731982 /nfs/dbraw/zinc/73/19/82/477731982.db2.gz NGJVBSBOPBPCGR-NSHDSACASA-N 1 2 332.360 2.700 20 5 EFBDLO Cc1cc(N2CCC[C@H](CO)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413595930 477743865 /nfs/dbraw/zinc/74/38/65/477743865.db2.gz QFRZXYBODGVHQD-DZGCQCFKSA-N 1 2 342.399 2.957 20 5 EFBDLO Cc1cc(NCC(C)(C)C(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450894362 477751286 /nfs/dbraw/zinc/75/12/86/477751286.db2.gz FYQCNKRYFIHHJQ-UHFFFAOYSA-N 1 2 344.415 2.991 20 5 EFBDLO CCc1cc(NC[C@@H](O)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450917577 477760660 /nfs/dbraw/zinc/76/06/60/477760660.db2.gz DNXZSPQRBUUTIY-MRXNPFEDSA-N 1 2 342.399 2.609 20 5 EFBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456154839 477802047 /nfs/dbraw/zinc/80/20/47/477802047.db2.gz XNQFHYFEXVGWMK-CQSZACIVSA-N 1 2 328.372 2.575 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459330950 477846626 /nfs/dbraw/zinc/84/66/26/477846626.db2.gz SLCSDMUECJKXPN-UHFFFAOYSA-N 1 2 339.399 2.584 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420960087 477858954 /nfs/dbraw/zinc/85/89/54/477858954.db2.gz RAHUQZVWMKNWEO-WQVCFCJDSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420960087 477858957 /nfs/dbraw/zinc/85/89/57/477858957.db2.gz RAHUQZVWMKNWEO-WQVCFCJDSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964034 477860904 /nfs/dbraw/zinc/86/09/04/477860904.db2.gz WIVYPDKWQIHNEJ-MELADBBJSA-N 1 2 335.404 2.811 20 5 EFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964034 477860909 /nfs/dbraw/zinc/86/09/09/477860909.db2.gz WIVYPDKWQIHNEJ-MELADBBJSA-N 1 2 335.404 2.811 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2CC)c1 ZINC000456347244 477875545 /nfs/dbraw/zinc/87/55/45/477875545.db2.gz HVZDAIUYPMSUIL-NSHDSACASA-N 1 2 332.360 2.701 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000456350491 477878878 /nfs/dbraw/zinc/87/88/78/477878878.db2.gz KDYKKTAGLAGEJS-LBPRGKRZSA-N 1 2 330.388 2.966 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456365036 477889922 /nfs/dbraw/zinc/88/99/22/477889922.db2.gz VSNGNTAPGYDECO-MNOVXSKESA-N 1 2 334.351 2.931 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456373910 477895133 /nfs/dbraw/zinc/89/51/33/477895133.db2.gz JINAIFFUKFXRSR-HZMBPMFUSA-N 1 2 341.371 2.801 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456392775 477909848 /nfs/dbraw/zinc/90/98/48/477909848.db2.gz RGDIRAVPWWEYFB-BXUZGUMPSA-N 1 2 328.372 2.891 20 5 EFBDLO COc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1C ZINC000456399471 477912541 /nfs/dbraw/zinc/91/25/41/477912541.db2.gz CWOOPTHFXVXUPN-JOYOIKCWSA-N 1 2 330.344 2.544 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000459517966 477949319 /nfs/dbraw/zinc/94/93/19/477949319.db2.gz WBYIYMVIMFGHIC-UHFFFAOYSA-N 1 2 348.353 2.633 20 5 EFBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000494467076 477991202 /nfs/dbraw/zinc/99/12/02/477991202.db2.gz QOPVVABRFGGAIW-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000494467076 477991206 /nfs/dbraw/zinc/99/12/06/477991206.db2.gz QOPVVABRFGGAIW-LLVKDONJSA-N 1 2 326.702 2.993 20 5 EFBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459600467 478003507 /nfs/dbraw/zinc/00/35/07/478003507.db2.gz TXPXJCIAUZZRBU-UHFFFAOYSA-N 1 2 342.403 2.863 20 5 EFBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459600467 478003513 /nfs/dbraw/zinc/00/35/13/478003513.db2.gz TXPXJCIAUZZRBU-UHFFFAOYSA-N 1 2 342.403 2.863 20 5 EFBDLO Cc1cccn2c(CN3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c[nH+]c12 ZINC000459617788 478011681 /nfs/dbraw/zinc/01/16/81/478011681.db2.gz CSRJEGFRYCFMFQ-UHFFFAOYSA-N 1 2 338.367 2.814 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533072513 478030187 /nfs/dbraw/zinc/03/01/87/478030187.db2.gz AHIRHJAYTRCNOA-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533072513 478030192 /nfs/dbraw/zinc/03/01/92/478030192.db2.gz AHIRHJAYTRCNOA-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000560396625 478066605 /nfs/dbraw/zinc/06/66/05/478066605.db2.gz AUBCPOZDNVTXCI-AWEZNQCLSA-N 1 2 343.387 2.621 20 5 EFBDLO COc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000421405529 478077739 /nfs/dbraw/zinc/07/77/39/478077739.db2.gz RJSGDUUOSMVWTL-UHFFFAOYSA-N 1 2 333.392 2.801 20 5 EFBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccn(C)n1 ZINC000459796290 478096548 /nfs/dbraw/zinc/09/65/48/478096548.db2.gz RAUNNCAMESWCQE-NSHDSACASA-N 1 2 327.344 2.834 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2CC(F)F)cc1[N+](=O)[O-] ZINC000488131727 478120626 /nfs/dbraw/zinc/12/06/26/478120626.db2.gz ZMKIXJADOMTIFM-JTQLQIEISA-N 1 2 325.319 2.611 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429561753 478154118 /nfs/dbraw/zinc/15/41/18/478154118.db2.gz WYNVXHPPTABISZ-GFCCVEGCSA-N 1 2 329.360 2.545 20 5 EFBDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741876 478177998 /nfs/dbraw/zinc/17/79/98/478177998.db2.gz CSDUQBPKHKQTNW-GJZGRUSLSA-N 1 2 346.431 2.734 20 5 EFBDLO CC(C)CN1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488741876 478178001 /nfs/dbraw/zinc/17/80/01/478178001.db2.gz CSDUQBPKHKQTNW-GJZGRUSLSA-N 1 2 346.431 2.734 20 5 EFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535260858 478204572 /nfs/dbraw/zinc/20/45/72/478204572.db2.gz KEGZTUUVLRNISC-UHFFFAOYSA-N 1 2 345.424 2.543 20 5 EFBDLO Cc1ccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000562502077 478258125 /nfs/dbraw/zinc/25/81/25/478258125.db2.gz BXUWPWUDUOBBMQ-UHFFFAOYSA-N 1 2 345.399 2.983 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)cn1 ZINC000536637991 478264840 /nfs/dbraw/zinc/26/48/40/478264840.db2.gz GOEFAUBNCLAVIT-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO CN(C)c1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc2[nH+]1 ZINC000519931996 478270776 /nfs/dbraw/zinc/27/07/76/478270776.db2.gz UCUGGWVPPVXDFS-UHFFFAOYSA-N 1 2 339.355 2.800 20 5 EFBDLO COc1cc(C[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000600208448 478285356 /nfs/dbraw/zinc/28/53/56/478285356.db2.gz SPMOHZOWBOVIPF-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO COc1cc(C[N@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000600208448 478285362 /nfs/dbraw/zinc/28/53/62/478285362.db2.gz SPMOHZOWBOVIPF-UHFFFAOYSA-N 1 2 344.367 2.876 20 5 EFBDLO CN(CCOC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590679952 478286687 /nfs/dbraw/zinc/28/66/87/478286687.db2.gz GYQJAFNSXBSEDR-UHFFFAOYSA-N 1 2 346.387 2.668 20 5 EFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc1 ZINC000590754897 478321068 /nfs/dbraw/zinc/32/10/68/478321068.db2.gz RTBDTSZQLQHSMC-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc1 ZINC000590754897 478321075 /nfs/dbraw/zinc/32/10/75/478321075.db2.gz RTBDTSZQLQHSMC-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333795 478333650 /nfs/dbraw/zinc/33/36/50/478333650.db2.gz UDUSELLJMOGCFS-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333795 478333655 /nfs/dbraw/zinc/33/36/55/478333655.db2.gz UDUSELLJMOGCFS-GFCCVEGCSA-N 1 2 328.372 2.688 20 5 EFBDLO Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000562878841 478372423 /nfs/dbraw/zinc/37/24/23/478372423.db2.gz JBBXATYGTCUBPQ-UHFFFAOYSA-N 1 2 328.372 2.735 20 5 EFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000590872526 478377652 /nfs/dbraw/zinc/37/76/52/478377652.db2.gz RKRUMJHXZMAFNL-LBPRGKRZSA-N 1 2 343.387 2.813 20 5 EFBDLO CN(CCO)c1ccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH+]c1 ZINC000594498520 478411953 /nfs/dbraw/zinc/41/19/53/478411953.db2.gz RHPRRAVUYIOCOB-OAHLLOKOSA-N 1 2 328.372 2.518 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594511778 478419182 /nfs/dbraw/zinc/41/91/82/478419182.db2.gz OTHNSWQZPPGALF-FZMZJTMJSA-N 1 2 331.376 2.724 20 5 EFBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594514461 478421380 /nfs/dbraw/zinc/42/13/80/478421380.db2.gz YFKWYUXQHXDJGZ-WFASDCNBSA-N 1 2 345.403 2.675 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972170 478423332 /nfs/dbraw/zinc/42/33/32/478423332.db2.gz POCGJGJOLQAICI-MFKMUULPSA-N 1 2 328.315 2.807 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972170 478423337 /nfs/dbraw/zinc/42/33/37/478423337.db2.gz POCGJGJOLQAICI-MFKMUULPSA-N 1 2 328.315 2.807 20 5 EFBDLO CCOC(=O)c1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000539806571 478439230 /nfs/dbraw/zinc/43/92/30/478439230.db2.gz VLDGSXWIOUPWRS-UHFFFAOYSA-N 1 2 332.360 2.860 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(N3CCCC3)nc1)CC2 ZINC000539830800 478442964 /nfs/dbraw/zinc/44/29/64/478442964.db2.gz UBUFZWQSUJKPNJ-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(N3CCCC3)nc1)CC2 ZINC000539830800 478442968 /nfs/dbraw/zinc/44/29/68/478442968.db2.gz UBUFZWQSUJKPNJ-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1[nH+]cc(C)cc1C ZINC000594595543 478455529 /nfs/dbraw/zinc/45/55/29/478455529.db2.gz HISHLTNYHZJPGA-UHFFFAOYSA-N 1 2 328.372 2.621 20 5 EFBDLO Cc1cc(N(C[C@@H](C)O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594599802 478459678 /nfs/dbraw/zinc/45/96/78/478459678.db2.gz NIRNOBBKXYTKTQ-GFCCVEGCSA-N 1 2 328.372 2.710 20 5 EFBDLO Cn1cc(C[C@@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000591150955 478476211 /nfs/dbraw/zinc/47/62/11/478476211.db2.gz ZFXVAHABOIIVSQ-ZDUSSCGKSA-N 1 2 337.383 2.946 20 5 EFBDLO Cc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000600791954 478523804 /nfs/dbraw/zinc/52/38/04/478523804.db2.gz UARDJPGLRNLWJX-OAHLLOKOSA-N 1 2 340.383 2.667 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597941429 478587809 /nfs/dbraw/zinc/58/78/09/478587809.db2.gz PNDMPPRCGSKUEA-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000597941996 478588905 /nfs/dbraw/zinc/58/89/05/478588905.db2.gz VNFAKBINQUYKTK-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597998736 478611749 /nfs/dbraw/zinc/61/17/49/478611749.db2.gz VPAFARGPUAYHKP-KGLIPLIRSA-N 1 2 349.431 2.557 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597998736 478611759 /nfs/dbraw/zinc/61/17/59/478611759.db2.gz VPAFARGPUAYHKP-KGLIPLIRSA-N 1 2 349.431 2.557 20 5 EFBDLO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)n1 ZINC000595040678 478638482 /nfs/dbraw/zinc/63/84/82/478638482.db2.gz ZAHUMMROXFIVRH-LLVKDONJSA-N 1 2 347.371 2.866 20 5 EFBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845299 478648113 /nfs/dbraw/zinc/64/81/13/478648113.db2.gz KIQATAQVHGSXNC-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845299 478648120 /nfs/dbraw/zinc/64/81/20/478648120.db2.gz KIQATAQVHGSXNC-SNVBAGLBSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595288326 478715353 /nfs/dbraw/zinc/71/53/53/478715353.db2.gz YUOSIUUJVCMJNZ-LBPRGKRZSA-N 1 2 342.359 2.665 20 5 EFBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595288326 478715360 /nfs/dbraw/zinc/71/53/60/478715360.db2.gz YUOSIUUJVCMJNZ-LBPRGKRZSA-N 1 2 342.359 2.665 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000595344607 478738937 /nfs/dbraw/zinc/73/89/37/478738937.db2.gz HNJKIKVXOFTDKE-CYBMUJFWSA-N 1 2 336.285 2.869 20 5 EFBDLO CC(C)Oc1cc(C(=O)NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000564422581 478740493 /nfs/dbraw/zinc/74/04/93/478740493.db2.gz QTVCPOCZOSKETH-UHFFFAOYSA-N 1 2 346.387 2.789 20 5 EFBDLO CCc1nn(C)c(NCCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000592006654 478741917 /nfs/dbraw/zinc/74/19/17/478741917.db2.gz RSBIHBRZNVFIEE-UHFFFAOYSA-N 1 2 328.376 2.501 20 5 EFBDLO Cc1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000601240943 478743189 /nfs/dbraw/zinc/74/31/89/478743189.db2.gz RYCICZMVVZYGMX-UHFFFAOYSA-N 1 2 345.428 2.859 20 5 EFBDLO Cn1cc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000572089711 478745731 /nfs/dbraw/zinc/74/57/31/478745731.db2.gz CZMHHWILUQSVSR-UHFFFAOYSA-N 1 2 340.387 2.584 20 5 EFBDLO Cc1noc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595382507 478755705 /nfs/dbraw/zinc/75/57/05/478755705.db2.gz SZAXLCLTFYGPIX-UHFFFAOYSA-N 1 2 339.779 2.929 20 5 EFBDLO Cc1noc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595382507 478755712 /nfs/dbraw/zinc/75/57/12/478755712.db2.gz SZAXLCLTFYGPIX-UHFFFAOYSA-N 1 2 339.779 2.929 20 5 EFBDLO Cc1noc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000595398346 478761175 /nfs/dbraw/zinc/76/11/75/478761175.db2.gz TUXLMUJGQVSTGU-KRWDZBQOSA-N 1 2 329.356 2.565 20 5 EFBDLO Cc1noc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000595398346 478761182 /nfs/dbraw/zinc/76/11/82/478761182.db2.gz TUXLMUJGQVSTGU-KRWDZBQOSA-N 1 2 329.356 2.565 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415001 478765949 /nfs/dbraw/zinc/76/59/49/478765949.db2.gz PMVPJGSJUSGBGS-SNVBAGLBSA-N 1 2 332.360 2.654 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601307006 478775760 /nfs/dbraw/zinc/77/57/60/478775760.db2.gz VAXWNRXGQXCEDZ-JHJVBQTASA-N 1 2 340.305 2.958 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601306815 478775861 /nfs/dbraw/zinc/77/58/61/478775861.db2.gz SBWQLJDNZJYQPM-UPJWGTAASA-N 1 2 340.305 2.958 20 5 EFBDLO Cc1noc(C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)c1[N+](=O)[O-] ZINC000595456801 478796780 /nfs/dbraw/zinc/79/67/80/478796780.db2.gz GQBYTHOCKJZJAZ-LLVKDONJSA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1noc(C[N@@H+]2CCN(c3ccccc3F)C[C@H]2C)c1[N+](=O)[O-] ZINC000595456801 478796788 /nfs/dbraw/zinc/79/67/88/478796788.db2.gz GQBYTHOCKJZJAZ-LLVKDONJSA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1noc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595466734 478802396 /nfs/dbraw/zinc/80/23/96/478802396.db2.gz RTIGZGRTTJSVAU-CQSZACIVSA-N 1 2 349.387 2.542 20 5 EFBDLO Cc1noc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595466734 478802400 /nfs/dbraw/zinc/80/24/00/478802400.db2.gz RTIGZGRTTJSVAU-CQSZACIVSA-N 1 2 349.387 2.542 20 5 EFBDLO C[N@H+](CC(=O)NCCCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000501776412 478811347 /nfs/dbraw/zinc/81/13/47/478811347.db2.gz OQSNGNWABIKGQE-UHFFFAOYSA-N 1 2 341.411 2.776 20 5 EFBDLO C[N@@H+](CC(=O)NCCCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000501776412 478811354 /nfs/dbraw/zinc/81/13/54/478811354.db2.gz OQSNGNWABIKGQE-UHFFFAOYSA-N 1 2 341.411 2.776 20 5 EFBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595483846 478812238 /nfs/dbraw/zinc/81/22/38/478812238.db2.gz NRGXIHRKJUGZKD-CYBMUJFWSA-N 1 2 347.371 2.943 20 5 EFBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595483846 478812249 /nfs/dbraw/zinc/81/22/49/478812249.db2.gz NRGXIHRKJUGZKD-CYBMUJFWSA-N 1 2 347.371 2.943 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000595489403 478817657 /nfs/dbraw/zinc/81/76/57/478817657.db2.gz ANNANSWERPEIOY-PWSUYJOCSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000595489403 478817660 /nfs/dbraw/zinc/81/76/60/478817660.db2.gz ANNANSWERPEIOY-PWSUYJOCSA-N 1 2 336.285 2.727 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCC2)O1 ZINC000592186986 478818971 /nfs/dbraw/zinc/81/89/71/478818971.db2.gz QXJFWYZTIROFQK-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCC2)O1 ZINC000592186986 478818978 /nfs/dbraw/zinc/81/89/78/478818978.db2.gz QXJFWYZTIROFQK-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192226 478820158 /nfs/dbraw/zinc/82/01/58/478820158.db2.gz HAOBCVBUMCLGDZ-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192226 478820168 /nfs/dbraw/zinc/82/01/68/478820168.db2.gz HAOBCVBUMCLGDZ-UONOGXRCSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192748 478820349 /nfs/dbraw/zinc/82/03/49/478820349.db2.gz KNXZLHLWIYNJPX-CQSZACIVSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192748 478820358 /nfs/dbraw/zinc/82/03/58/478820358.db2.gz KNXZLHLWIYNJPX-CQSZACIVSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192747 478821019 /nfs/dbraw/zinc/82/10/19/478821019.db2.gz KNXZLHLWIYNJPX-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192747 478821027 /nfs/dbraw/zinc/82/10/27/478821027.db2.gz KNXZLHLWIYNJPX-AWEZNQCLSA-N 1 2 347.415 2.875 20 5 EFBDLO CC(C)Oc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000598464678 478835975 /nfs/dbraw/zinc/83/59/75/478835975.db2.gz LHGGDQXVTOCQRA-LLVKDONJSA-N 1 2 332.360 2.607 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928340 478861782 /nfs/dbraw/zinc/86/17/82/478861782.db2.gz ARTPFMZKFZPRPC-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928340 478861787 /nfs/dbraw/zinc/86/17/87/478861787.db2.gz ARTPFMZKFZPRPC-OLZOCXBDSA-N 1 2 333.388 2.565 20 5 EFBDLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000598510837 478870733 /nfs/dbraw/zinc/87/07/33/478870733.db2.gz QKKLIBPOGWAGTI-CYBMUJFWSA-N 1 2 331.397 2.661 20 5 EFBDLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000598510837 478870740 /nfs/dbraw/zinc/87/07/40/478870740.db2.gz QKKLIBPOGWAGTI-CYBMUJFWSA-N 1 2 331.397 2.661 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1c[nH+]c[nH]1 ZINC000595595346 478874884 /nfs/dbraw/zinc/87/48/84/478874884.db2.gz URNJNNLVGFHWEZ-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1c[nH]c[nH+]1 ZINC000595595346 478874886 /nfs/dbraw/zinc/87/48/86/478874886.db2.gz URNJNNLVGFHWEZ-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000595598219 478877555 /nfs/dbraw/zinc/87/75/55/478877555.db2.gz ZGHOVHVIHPFCFT-UHFFFAOYSA-N 1 2 342.302 2.560 20 5 EFBDLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000595598219 478877563 /nfs/dbraw/zinc/87/75/63/478877563.db2.gz ZGHOVHVIHPFCFT-UHFFFAOYSA-N 1 2 342.302 2.560 20 5 EFBDLO 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CC(C)(F)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596468951 479307832 /nfs/dbraw/zinc/30/78/32/479307832.db2.gz QDJNGGXEEOQSRC-UHFFFAOYSA-N 1 2 325.384 2.977 20 5 EFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611195839 479308537 /nfs/dbraw/zinc/30/85/37/479308537.db2.gz WCFVRKDPQUYMCT-LBPRGKRZSA-N 1 2 339.355 2.750 20 5 EFBDLO CC1(C)[C@@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000574561119 479308697 /nfs/dbraw/zinc/30/86/97/479308697.db2.gz YTQIGTRRPPRIDP-GASCZTMLSA-N 1 2 331.416 2.519 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)on1 ZINC000611261063 479327453 /nfs/dbraw/zinc/32/74/53/479327453.db2.gz KDVBTLRJDIUPEO-ZDUSSCGKSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)on1 ZINC000611261063 479327461 /nfs/dbraw/zinc/32/74/61/479327461.db2.gz KDVBTLRJDIUPEO-ZDUSSCGKSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596543689 479334359 /nfs/dbraw/zinc/33/43/59/479334359.db2.gz QEIJVZCDDOLHHY-KPZWWZAWSA-N 1 2 342.399 2.815 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)c1[nH+]ccn1C ZINC000596542680 479334794 /nfs/dbraw/zinc/33/47/94/479334794.db2.gz NZELZGWMAAYJBZ-MRVPVSSYSA-N 1 2 338.751 2.941 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599617677 479354447 /nfs/dbraw/zinc/35/44/47/479354447.db2.gz KCGNHWLDPWSICV-UHFFFAOYSA-N 1 2 340.383 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599617677 479354453 /nfs/dbraw/zinc/35/44/53/479354453.db2.gz KCGNHWLDPWSICV-UHFFFAOYSA-N 1 2 340.383 2.699 20 5 EFBDLO CO[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000574835662 479357150 /nfs/dbraw/zinc/35/71/50/479357150.db2.gz CJLYKKPBFFTBEJ-IAGOWNOFSA-N 1 2 349.431 2.652 20 5 EFBDLO Cn1cc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602482958 479361445 /nfs/dbraw/zinc/36/14/45/479361445.db2.gz 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CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603413044 479376996 /nfs/dbraw/zinc/37/69/96/479376996.db2.gz JYAMMHZPXCKBES-UHFFFAOYSA-N 1 2 335.404 2.639 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599688980 479392402 /nfs/dbraw/zinc/39/24/02/479392402.db2.gz HANBIPCSQPYJHG-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599688980 479392406 /nfs/dbraw/zinc/39/24/06/479392406.db2.gz HANBIPCSQPYJHG-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO Cc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[nH]n1 ZINC000602549791 479392638 /nfs/dbraw/zinc/39/26/38/479392638.db2.gz DXUUKKMEKZLSQZ-UHFFFAOYSA-N 1 2 331.195 2.740 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1O ZINC000602622734 479430072 /nfs/dbraw/zinc/43/00/72/479430072.db2.gz LSZJVIZHBRCCNM-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1O ZINC000602622734 479430075 /nfs/dbraw/zinc/43/00/75/479430075.db2.gz LSZJVIZHBRCCNM-OIBJUYFYSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000602626397 479432854 /nfs/dbraw/zinc/43/28/54/479432854.db2.gz YHHJKPWBEWZXLI-RNCFNFMXSA-N 1 2 345.321 2.699 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000602626397 479432859 /nfs/dbraw/zinc/43/28/59/479432859.db2.gz YHHJKPWBEWZXLI-RNCFNFMXSA-N 1 2 345.321 2.699 20 5 EFBDLO Cc1cccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000603853579 479439239 /nfs/dbraw/zinc/43/92/39/479439239.db2.gz GKCNNGYDZZODBB-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589106103 479477477 /nfs/dbraw/zinc/47/74/77/479477477.db2.gz NFCIMLMSYDZKAB-UHFFFAOYSA-N 1 2 331.763 2.835 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1-n1cc[nH+]c1 ZINC000589113063 479480561 /nfs/dbraw/zinc/48/05/61/479480561.db2.gz RCMKTUFIFBRUJU-UHFFFAOYSA-N 1 2 329.747 2.863 20 5 EFBDLO CCn1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1 ZINC000602707726 479491760 /nfs/dbraw/zinc/49/17/60/479491760.db2.gz IHFFOTGMXMVYHX-UHFFFAOYSA-N 1 2 329.282 2.515 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1CO ZINC000602717324 479501695 /nfs/dbraw/zinc/50/16/95/479501695.db2.gz ZWDBTAMAAPBKPO-DTWKUNHWSA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1CO ZINC000602717324 479501699 /nfs/dbraw/zinc/50/16/99/479501699.db2.gz ZWDBTAMAAPBKPO-DTWKUNHWSA-N 1 2 349.250 2.869 20 5 EFBDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596977316 479515944 /nfs/dbraw/zinc/51/59/44/479515944.db2.gz IZAAAUXETWAVAI-UHFFFAOYSA-N 1 2 341.415 2.528 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600107788 479519640 /nfs/dbraw/zinc/51/96/40/479519640.db2.gz XRFJXLWTXLJDGP-UHFFFAOYSA-N 1 2 328.372 2.782 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000602788397 479554572 /nfs/dbraw/zinc/55/45/72/479554572.db2.gz OYXAPOREWYSTGT-FZMZJTMJSA-N 1 2 336.417 2.623 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000602788397 479554580 /nfs/dbraw/zinc/55/45/80/479554580.db2.gz OYXAPOREWYSTGT-FZMZJTMJSA-N 1 2 336.417 2.623 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026352 479555793 /nfs/dbraw/zinc/55/57/93/479555793.db2.gz JRHYYXWZJDMSIL-HNNXBMFYSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026352 479555797 /nfs/dbraw/zinc/55/57/97/479555797.db2.gz JRHYYXWZJDMSIL-HNNXBMFYSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602797327 479559788 /nfs/dbraw/zinc/55/97/88/479559788.db2.gz VALZZRCCIHKZBG-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602797327 479559796 /nfs/dbraw/zinc/55/97/96/479559796.db2.gz VALZZRCCIHKZBG-UHFFFAOYSA-N 1 2 325.372 2.639 20 5 EFBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1COCCO1 ZINC000597204935 479619188 /nfs/dbraw/zinc/61/91/88/479619188.db2.gz HQRVYVUEVZDKJH-OAHLLOKOSA-N 1 2 349.412 2.566 20 5 EFBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1COCCO1 ZINC000597204935 479619192 /nfs/dbraw/zinc/61/91/92/479619192.db2.gz HQRVYVUEVZDKJH-OAHLLOKOSA-N 1 2 349.412 2.566 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nn1 ZINC000597212201 479624141 /nfs/dbraw/zinc/62/41/41/479624141.db2.gz XXFNIAKPNHMYRF-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nn1 ZINC000597212201 479624147 /nfs/dbraw/zinc/62/41/47/479624147.db2.gz XXFNIAKPNHMYRF-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO COCC[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618896878 479627628 /nfs/dbraw/zinc/62/76/28/479627628.db2.gz LEUSNKONYRXOHL-UHFFFAOYSA-N 1 2 334.203 2.670 20 5 EFBDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000590374820 479636087 /nfs/dbraw/zinc/63/60/87/479636087.db2.gz STGALWWLTUXXSE-MRXNPFEDSA-N 1 2 331.372 2.545 20 5 EFBDLO Cc1ccc2[nH]c([C@H]3CCCN(c4c([N+](=O)[O-])ncn4C)C3)[nH+]c2c1 ZINC000612451889 479674800 /nfs/dbraw/zinc/67/48/00/479674800.db2.gz AZASXCWCFZGGFL-LBPRGKRZSA-N 1 2 340.387 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000609463836 480164061 /nfs/dbraw/zinc/16/40/61/480164061.db2.gz JRHGSKZDRLIJTF-UHFFFAOYSA-N 1 2 343.387 2.866 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000609463836 480164071 /nfs/dbraw/zinc/16/40/71/480164071.db2.gz JRHGSKZDRLIJTF-UHFFFAOYSA-N 1 2 343.387 2.866 20 5 EFBDLO CC(C)(C)c1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609624876 480189017 /nfs/dbraw/zinc/18/90/17/480189017.db2.gz RIGIEKZYMAVSCM-UHFFFAOYSA-N 1 2 328.372 2.786 20 5 EFBDLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064014 480233931 /nfs/dbraw/zinc/23/39/31/480233931.db2.gz QLSCTVGJNZBYHW-MRXNPFEDSA-N 1 2 342.399 2.933 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000610235021 480255294 /nfs/dbraw/zinc/25/52/94/480255294.db2.gz GDGRBUCCQMWYHC-INIZCTEOSA-N 1 2 346.412 2.846 20 5 EFBDLO CCc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610436995 480305453 /nfs/dbraw/zinc/30/54/53/480305453.db2.gz WRVWJABQTHYEHI-OAHLLOKOSA-N 1 2 328.372 2.831 20 5 EFBDLO Cc1ncc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000614461996 480314289 /nfs/dbraw/zinc/31/42/89/480314289.db2.gz HLLFPODQQDQOJT-AWEZNQCLSA-N 1 2 341.415 2.885 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617718580 480333047 /nfs/dbraw/zinc/33/30/47/480333047.db2.gz WZNDKTIMQDUBSP-CZUORRHYSA-N 1 2 328.372 2.759 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000610663391 480357926 /nfs/dbraw/zinc/35/79/26/480357926.db2.gz NXAPUBLQDJVLCH-PKYBCLHXSA-N 1 2 344.392 2.726 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279975 480603370 /nfs/dbraw/zinc/60/33/70/480603370.db2.gz LYWSHEFRHQLFDS-ZDUSSCGKSA-N 1 2 326.360 2.505 20 5 EFBDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000118866339 519069869 /nfs/dbraw/zinc/06/98/69/519069869.db2.gz IAMJBKCWDSDIQS-GFCCVEGCSA-N 1 2 345.403 2.962 20 5 EFBDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000118866339 519069878 /nfs/dbraw/zinc/06/98/78/519069878.db2.gz IAMJBKCWDSDIQS-GFCCVEGCSA-N 1 2 345.403 2.962 20 5 EFBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccn1 ZINC000119771166 520356671 /nfs/dbraw/zinc/35/66/71/520356671.db2.gz CQYSRAVINGKYLO-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccn1 ZINC000119771166 520356676 /nfs/dbraw/zinc/35/66/76/520356676.db2.gz CQYSRAVINGKYLO-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000079553105 520903833 /nfs/dbraw/zinc/90/38/33/520903833.db2.gz FZYVILLINZBRPB-UHFFFAOYSA-N 1 2 346.362 2.905 20 5 EFBDLO CC(=O)N[C@H](C)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413235579 534614650 /nfs/dbraw/zinc/61/46/50/534614650.db2.gz RWXWRSJBBAQGHY-GFCCVEGCSA-N 1 2 342.399 2.884 20 5 EFBDLO CCc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000065968975 522313817 /nfs/dbraw/zinc/31/38/17/522313817.db2.gz HBDJLJDMVKDTNU-UHFFFAOYSA-N 1 2 346.456 2.932 20 5 EFBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccnc1 ZINC000119015374 523543939 /nfs/dbraw/zinc/54/39/39/523543939.db2.gz SMTZBGNZMUYBQW-UHFFFAOYSA-N 1 2 325.328 2.672 20 5 EFBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccnc1 ZINC000119015374 523543951 /nfs/dbraw/zinc/54/39/51/523543951.db2.gz SMTZBGNZMUYBQW-UHFFFAOYSA-N 1 2 325.328 2.672 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119798945 524907493 /nfs/dbraw/zinc/90/74/93/524907493.db2.gz QELJROLCWCGGOY-CQSZACIVSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119798945 524907501 /nfs/dbraw/zinc/90/75/01/524907501.db2.gz QELJROLCWCGGOY-CQSZACIVSA-N 1 2 335.404 2.589 20 5 EFBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000119680787 525439747 /nfs/dbraw/zinc/43/97/47/525439747.db2.gz DKFSMOQGXANZMW-VIFPVBQESA-N 1 2 335.310 2.823 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135610359 525456942 /nfs/dbraw/zinc/45/69/42/525456942.db2.gz XCBIATGPPIXZPP-HNNXBMFYSA-N 1 2 330.388 2.846 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135610359 525456953 /nfs/dbraw/zinc/45/69/53/525456953.db2.gz XCBIATGPPIXZPP-HNNXBMFYSA-N 1 2 330.388 2.846 20 5 EFBDLO Cc1c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000120772802 525589848 /nfs/dbraw/zinc/58/98/48/525589848.db2.gz KFYOYRBHIYQPOG-CQSZACIVSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000153379783 525711981 /nfs/dbraw/zinc/71/19/81/525711981.db2.gz PBOXKPDREMMWSB-TZMCWYRMSA-N 1 2 328.372 2.540 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178154952 526081749 /nfs/dbraw/zinc/08/17/49/526081749.db2.gz KHOHPCBKOAGYIB-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193854523 526168718 /nfs/dbraw/zinc/16/87/18/526168718.db2.gz BNLIMMOLLXEIOJ-OLZOCXBDSA-N 1 2 343.387 2.525 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193854523 526168726 /nfs/dbraw/zinc/16/87/26/526168726.db2.gz BNLIMMOLLXEIOJ-OLZOCXBDSA-N 1 2 343.387 2.525 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000065682223 526504041 /nfs/dbraw/zinc/50/40/41/526504041.db2.gz GHAAEZPVUQUXFC-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152715931 526927859 /nfs/dbraw/zinc/92/78/59/526927859.db2.gz RLTSRPDUPYIBFS-CYBMUJFWSA-N 1 2 346.774 2.652 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCCn1cc[nH+]c1 ZINC000090201430 527499855 /nfs/dbraw/zinc/49/98/55/527499855.db2.gz LBIKXEDXKVFLIE-UHFFFAOYSA-N 1 2 348.384 2.523 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CC(F)F)C1CC1 ZINC000117340426 527499867 /nfs/dbraw/zinc/49/98/67/527499867.db2.gz JOZDWTGXWLWSLX-UHFFFAOYSA-N 1 2 341.314 2.622 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CC(F)F)C1CC1 ZINC000117340426 527499872 /nfs/dbraw/zinc/49/98/72/527499872.db2.gz JOZDWTGXWLWSLX-UHFFFAOYSA-N 1 2 341.314 2.622 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120362912 527627234 /nfs/dbraw/zinc/62/72/34/527627234.db2.gz ZDHIAGRRBOYFME-SNAWJCMRSA-N 1 2 326.356 2.668 20 5 EFBDLO CC(C)CN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000131418592 527894586 /nfs/dbraw/zinc/89/45/86/527894586.db2.gz PRYHTMXHIFOMKC-UHFFFAOYSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)CN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000131418592 527894591 /nfs/dbraw/zinc/89/45/91/527894591.db2.gz PRYHTMXHIFOMKC-UHFFFAOYSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)n1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000179590224 528563110 /nfs/dbraw/zinc/56/31/10/528563110.db2.gz YYWYOBHFLHOABB-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000360091282 535743123 /nfs/dbraw/zinc/74/31/23/535743123.db2.gz VKENGEFYYTZNJX-HNNXBMFYSA-N 1 2 333.367 2.649 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(N(C)C)[nH+]c1 ZINC000341740207 536587519 /nfs/dbraw/zinc/58/75/19/536587519.db2.gz DCYRMEQVANXVPM-UHFFFAOYSA-N 1 2 344.371 2.763 20 5 EFBDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000299986127 545774765 /nfs/dbraw/zinc/77/47/65/545774765.db2.gz ARRKDANZTFJHFF-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000299986127 545774771 /nfs/dbraw/zinc/77/47/71/545774771.db2.gz ARRKDANZTFJHFF-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000755006439 575528879 /nfs/dbraw/zinc/52/88/79/575528879.db2.gz SKLUJDPXDJUGCY-OAHLLOKOSA-N 1 2 336.388 2.721 20 5 EFBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000755006439 575528882 /nfs/dbraw/zinc/52/88/82/575528882.db2.gz SKLUJDPXDJUGCY-OAHLLOKOSA-N 1 2 336.388 2.721 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000755351684 575577566 /nfs/dbraw/zinc/57/75/66/575577566.db2.gz KECIWOGILWXYOM-INIZCTEOSA-N 1 2 325.324 2.893 20 5 EFBDLO Cc1nn(C[N@H+]2CC=C(C(F)(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000756910389 575800260 /nfs/dbraw/zinc/80/02/60/575800260.db2.gz GNCNXCHJJUPTIZ-UHFFFAOYSA-N 1 2 341.293 2.800 20 5 EFBDLO Cc1nn(C[N@@H+]2CC=C(C(F)(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000756910389 575800263 /nfs/dbraw/zinc/80/02/63/575800263.db2.gz GNCNXCHJJUPTIZ-UHFFFAOYSA-N 1 2 341.293 2.800 20 5 EFBDLO CCC[C@@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000757616510 575845331 /nfs/dbraw/zinc/84/53/31/575845331.db2.gz VFFHHQUXTXTIIC-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CCC[C@@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000757616510 575845333 /nfs/dbraw/zinc/84/53/33/575845333.db2.gz VFFHHQUXTXTIIC-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CON(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000757629841 575846175 /nfs/dbraw/zinc/84/61/75/575846175.db2.gz HYKBOUXAUNDIKC-UHFFFAOYSA-N 1 2 330.344 2.727 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cn2c1 ZINC000758444354 575869921 /nfs/dbraw/zinc/86/99/21/575869921.db2.gz HGXOZGQGZWMVOY-UHFFFAOYSA-N 1 2 342.330 2.928 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000758472488 575870541 /nfs/dbraw/zinc/87/05/41/575870541.db2.gz IGQSZHHLNDOFTJ-LLVKDONJSA-N 1 2 332.335 2.785 20 5 EFBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1(C)C ZINC000758999424 575882375 /nfs/dbraw/zinc/88/23/75/575882375.db2.gz IRYYRMBLWMYTGH-SECBINFHSA-N 1 2 331.214 2.879 20 5 EFBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1(C)C ZINC000758999424 575882376 /nfs/dbraw/zinc/88/23/76/575882376.db2.gz IRYYRMBLWMYTGH-SECBINFHSA-N 1 2 331.214 2.879 20 5 EFBDLO CC(C)C[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759134145 575885172 /nfs/dbraw/zinc/88/51/72/575885172.db2.gz FROSIWGXEKXCNW-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759134145 575885173 /nfs/dbraw/zinc/88/51/73/575885173.db2.gz FROSIWGXEKXCNW-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759143688 575885470 /nfs/dbraw/zinc/88/54/70/575885470.db2.gz GRJQFSHTFRKSSC-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759143688 575885471 /nfs/dbraw/zinc/88/54/71/575885471.db2.gz GRJQFSHTFRKSSC-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759143690 575885479 /nfs/dbraw/zinc/88/54/79/575885479.db2.gz GRJQFSHTFRKSSC-ZDUSSCGKSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759143690 575885480 /nfs/dbraw/zinc/88/54/80/575885480.db2.gz GRJQFSHTFRKSSC-ZDUSSCGKSA-N 1 2 345.399 2.906 20 5 EFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760523311 576040002 /nfs/dbraw/zinc/04/00/02/576040002.db2.gz YQVIWQBAURHOKN-OAHLLOKOSA-N 1 2 345.355 2.777 20 5 EFBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760523311 576040005 /nfs/dbraw/zinc/04/00/05/576040005.db2.gz YQVIWQBAURHOKN-OAHLLOKOSA-N 1 2 345.355 2.777 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000761044566 576104163 /nfs/dbraw/zinc/10/41/63/576104163.db2.gz ATJSULWFMOOGAT-NSHDSACASA-N 1 2 332.278 2.846 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000761044566 576104165 /nfs/dbraw/zinc/10/41/65/576104165.db2.gz ATJSULWFMOOGAT-NSHDSACASA-N 1 2 332.278 2.846 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1 ZINC000761476816 576167905 /nfs/dbraw/zinc/16/79/05/576167905.db2.gz OLJCQNZCPCFBBA-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)nn3)n2)cc1[N+](=O)[O-] ZINC000761639200 576191328 /nfs/dbraw/zinc/19/13/28/576191328.db2.gz PZXANKQBPQMHGB-UHFFFAOYSA-N 1 2 349.310 2.596 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3-n3cc[nH+]c3)no2)s1 ZINC000761720568 576203902 /nfs/dbraw/zinc/20/39/02/576203902.db2.gz WUDAGNGZHKHYEF-UHFFFAOYSA-N 1 2 340.324 2.954 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCCn1cc[nH+]c1 ZINC000763286285 576371085 /nfs/dbraw/zinc/37/10/85/576371085.db2.gz BWDSPJRHDIBPQD-GFCCVEGCSA-N 1 2 335.385 2.905 20 5 EFBDLO COc1cccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000766836991 577184444 /nfs/dbraw/zinc/18/44/44/577184444.db2.gz VBIGTQSPKYJRKK-UHFFFAOYSA-N 1 2 330.344 2.625 20 5 EFBDLO O=C(Nc1cccc(F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000767174865 577198814 /nfs/dbraw/zinc/19/88/14/577198814.db2.gz HZSZURIJMVBQPX-UHFFFAOYSA-N 1 2 327.275 2.567 20 5 EFBDLO CN(C)c1cc(COC(=O)CSc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000767409296 577207530 /nfs/dbraw/zinc/20/75/30/577207530.db2.gz BQKUACYZKLSZTA-UHFFFAOYSA-N 1 2 347.396 2.891 20 5 EFBDLO CN(C)c1cc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000767525430 577211279 /nfs/dbraw/zinc/21/12/79/577211279.db2.gz QJWQVLRDWRXYEJ-UHFFFAOYSA-N 1 2 337.282 2.691 20 5 EFBDLO CN(C)c1cc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc[nH+]1 ZINC000767566731 577215015 /nfs/dbraw/zinc/21/50/15/577215015.db2.gz SBCCZAIJFOSIRD-UHFFFAOYSA-N 1 2 337.282 2.691 20 5 EFBDLO CCC1(C)CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000725779614 577222617 /nfs/dbraw/zinc/22/26/17/577222617.db2.gz SPTYZXZJESBYIP-UHFFFAOYSA-N 1 2 331.372 2.660 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767906781 577241470 /nfs/dbraw/zinc/24/14/70/577241470.db2.gz XXNQRWMGXQYKDR-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767906781 577241472 /nfs/dbraw/zinc/24/14/72/577241472.db2.gz XXNQRWMGXQYKDR-UHFFFAOYSA-N 1 2 343.811 2.934 20 5 EFBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769305122 577350847 /nfs/dbraw/zinc/35/08/47/577350847.db2.gz IFEPUSOEUASPOY-UHFFFAOYSA-N 1 2 345.193 2.741 20 5 EFBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769305122 577350848 /nfs/dbraw/zinc/35/08/48/577350848.db2.gz IFEPUSOEUASPOY-UHFFFAOYSA-N 1 2 345.193 2.741 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769565478 577372766 /nfs/dbraw/zinc/37/27/66/577372766.db2.gz YBGVIBKPQQLHAU-QGZVFWFLSA-N 1 2 348.330 2.942 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769565478 577372768 /nfs/dbraw/zinc/37/27/68/577372768.db2.gz YBGVIBKPQQLHAU-QGZVFWFLSA-N 1 2 348.330 2.942 20 5 EFBDLO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922496 577395751 /nfs/dbraw/zinc/39/57/51/577395751.db2.gz ROFGPYCHLNIFTO-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922496 577395752 /nfs/dbraw/zinc/39/57/52/577395752.db2.gz ROFGPYCHLNIFTO-MNOVXSKESA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770076675 577400959 /nfs/dbraw/zinc/40/09/59/577400959.db2.gz UZSBRJSQBZKXMD-AWEZNQCLSA-N 1 2 339.823 2.858 20 5 EFBDLO COc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770734591 581131546 /nfs/dbraw/zinc/13/15/46/581131546.db2.gz WGFJIXDMSRWHHN-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851417525 1250992754 /nfs/dbraw/zinc/99/27/54/1250992754.db2.gz CHVMKSSORUJDPH-DEZZGGKRSA-N 1 2 327.340 2.983 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000708279200 1251270821 /nfs/dbraw/zinc/27/08/21/1251270821.db2.gz PINSGWPFIFNFLC-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000708279200 1251270829 /nfs/dbraw/zinc/27/08/29/1251270829.db2.gz PINSGWPFIFNFLC-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000735311651 1267277962 /nfs/dbraw/zinc/27/79/62/1267277962.db2.gz NOYYDJZVUYOSLU-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000735311651 1267277971 /nfs/dbraw/zinc/27/79/71/1267277971.db2.gz NOYYDJZVUYOSLU-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000132898260 1268216448 /nfs/dbraw/zinc/21/64/48/1268216448.db2.gz HGUHRTCITFFOIY-HNNXBMFYSA-N 1 2 346.387 2.880 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000132898260 1268216452 /nfs/dbraw/zinc/21/64/52/1268216452.db2.gz HGUHRTCITFFOIY-HNNXBMFYSA-N 1 2 346.387 2.880 20 5 EFBDLO CN(C(=O)c1ccc[nH]1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005106763 1268861827 /nfs/dbraw/zinc/86/18/27/1268861827.db2.gz MSKNAFCYBBTAOK-UHFFFAOYSA-N 1 2 348.428 2.721 20 5 EFBDLO CC(C)C(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005123361 1268925915 /nfs/dbraw/zinc/92/59/15/1268925915.db2.gz ZBPGNFJTIWHHRN-UHFFFAOYSA-N 1 2 325.434 2.735 20 5 EFBDLO C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000741029775 1269263792 /nfs/dbraw/zinc/26/37/92/1269263792.db2.gz SIGQXQCQQWTQCF-CYBMUJFWSA-N 1 2 334.372 2.585 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000746321095 1272024328 /nfs/dbraw/zinc/02/43/28/1272024328.db2.gz OGUOPLSRTDXHJO-UHFFFAOYSA-N 1 2 345.321 2.535 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000746321095 1272024338 /nfs/dbraw/zinc/02/43/38/1272024338.db2.gz OGUOPLSRTDXHJO-UHFFFAOYSA-N 1 2 345.321 2.535 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3nc(Br)sc3C2)C1 ZINC001169033251 1272596150 /nfs/dbraw/zinc/59/61/50/1272596150.db2.gz BNIINMONLAWYAH-DTWKUNHWSA-N 1 2 346.250 2.709 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3nc(Br)sc3C2)C1 ZINC001169033251 1272596156 /nfs/dbraw/zinc/59/61/56/1272596156.db2.gz BNIINMONLAWYAH-DTWKUNHWSA-N 1 2 346.250 2.709 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035258 1272599602 /nfs/dbraw/zinc/59/96/02/1272599602.db2.gz JUCMIWJXTAKCRL-CABZTGNLSA-N 1 2 326.194 2.605 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035258 1272599609 /nfs/dbraw/zinc/59/96/09/1272599609.db2.gz JUCMIWJXTAKCRL-CABZTGNLSA-N 1 2 326.194 2.605 20 5 EFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000804333603 1273087458 /nfs/dbraw/zinc/08/74/58/1273087458.db2.gz NDYXRGNJRBKHRZ-UHFFFAOYSA-N 1 2 348.384 2.887 20 5 EFBDLO CC1(C(=O)N2CCC3(C[NH+](Cc4csc([N+](=O)[O-])c4)C3)CC2)CC1 ZINC001035715083 1274398828 /nfs/dbraw/zinc/39/88/28/1274398828.db2.gz NDVMBLMWXOXYGW-UHFFFAOYSA-N 1 2 349.456 2.881 20 5 EFBDLO Cc1ccc(NCCCN(C)C(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC001109652787 1274521370 /nfs/dbraw/zinc/52/13/70/1274521370.db2.gz BGBZUUQWOCXSAD-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO Cc1ccc(NCCCN(C)C(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001109652787 1274521374 /nfs/dbraw/zinc/52/13/74/1274521374.db2.gz BGBZUUQWOCXSAD-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000788566716 1276226304 /nfs/dbraw/zinc/22/63/04/1276226304.db2.gz ZWTFYTROYKMESX-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000788566716 1276226309 /nfs/dbraw/zinc/22/63/09/1276226309.db2.gz ZWTFYTROYKMESX-UHFFFAOYSA-N 1 2 327.812 2.795 20 5 EFBDLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC001170309967 1279031543 /nfs/dbraw/zinc/03/15/43/1279031543.db2.gz UWKKPDQVCVFRQZ-LBPRGKRZSA-N 1 2 336.388 2.610 20 5 EFBDLO COC(=O)C1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC001170309966 1279032024 /nfs/dbraw/zinc/03/20/24/1279032024.db2.gz UWKKPDQVCVFRQZ-GFCCVEGCSA-N 1 2 336.388 2.610 20 5 EFBDLO CC(C)(CNc1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820604510 1277263903 /nfs/dbraw/zinc/26/39/03/1277263903.db2.gz JQVZSINSUHLSPS-UHFFFAOYSA-N 1 2 331.775 2.910 20 5 EFBDLO CCn1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000790450970 1277567557 /nfs/dbraw/zinc/56/75/57/1277567557.db2.gz KYVYBQQYULTMRK-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO CCn1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000790450970 1277567561 /nfs/dbraw/zinc/56/75/61/1277567561.db2.gz KYVYBQQYULTMRK-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO CCn1ccc(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000790452807 1277570230 /nfs/dbraw/zinc/57/02/30/1277570230.db2.gz XSTCQLFNBRUUEF-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO CCn1ccc(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000790452807 1277570234 /nfs/dbraw/zinc/57/02/34/1277570234.db2.gz XSTCQLFNBRUUEF-UHFFFAOYSA-N 1 2 340.387 2.764 20 5 EFBDLO Cn1c[nH+]cc1CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000793244106 1279471371 /nfs/dbraw/zinc/47/13/71/1279471371.db2.gz YDUPROOHJAIYAR-UHFFFAOYSA-N 1 2 343.261 2.747 20 5 EFBDLO C[C@H](CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC000845488855 1279675991 /nfs/dbraw/zinc/67/59/91/1279675991.db2.gz ZPNKLWHIKCYOFB-HZSPNIEDSA-N 1 2 347.375 2.666 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845507987 1279689845 /nfs/dbraw/zinc/68/98/45/1279689845.db2.gz CHUBXTIAHIPYIK-ZDUSSCGKSA-N 1 2 333.344 2.673 20 5 EFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2n1CCC2 ZINC000872020058 1287401978 /nfs/dbraw/zinc/40/19/78/1287401978.db2.gz CVDRXYHYDXQQDJ-JTQLQIEISA-N 1 2 333.417 2.705 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804534199 1280269822 /nfs/dbraw/zinc/26/98/22/1280269822.db2.gz DXAADWHHOOBQPP-UHFFFAOYSA-N 1 2 344.318 2.669 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804534199 1280269832 /nfs/dbraw/zinc/26/98/32/1280269832.db2.gz DXAADWHHOOBQPP-UHFFFAOYSA-N 1 2 344.318 2.669 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846773304 1280514180 /nfs/dbraw/zinc/51/41/80/1280514180.db2.gz MZOYNHOAFJYTEP-UHFFFAOYSA-N 1 2 340.221 2.644 20 5 EFBDLO CC(C)(C)CC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805542210 1280613005 /nfs/dbraw/zinc/61/30/05/1280613005.db2.gz JIBRIJQYFNUYAX-UHFFFAOYSA-N 1 2 345.355 2.943 20 5 EFBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000586233045 1282047482 /nfs/dbraw/zinc/04/74/82/1282047482.db2.gz YENRQKXXFOMMIX-UHFFFAOYSA-N 1 2 335.385 2.985 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809700757 1282389036 /nfs/dbraw/zinc/38/90/36/1282389036.db2.gz NMPKQHQAQCYRMV-JSGCOSHPSA-N 1 2 339.823 2.543 20 5 EFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000749356028 1283669743 /nfs/dbraw/zinc/66/97/43/1283669743.db2.gz VSHIQALZOGSCHB-UHFFFAOYSA-N 1 2 349.416 2.728 20 5 EFBDLO O=C(NCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812833169 1285463495 /nfs/dbraw/zinc/46/34/95/1285463495.db2.gz BCKAWMOMUJSWSV-UHFFFAOYSA-N 1 2 329.143 2.528 20 5 EFBDLO Cc1nscc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174457 1285705568 /nfs/dbraw/zinc/70/55/68/1285705568.db2.gz TYHMIPIGCHHFJH-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO Cc1nscc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174457 1285705575 /nfs/dbraw/zinc/70/55/75/1285705575.db2.gz TYHMIPIGCHHFJH-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813362384 1285855832 /nfs/dbraw/zinc/85/58/32/1285855832.db2.gz RCFXVDQVJCGTGQ-UHFFFAOYSA-N 1 2 343.170 2.918 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1F ZINC001173183377 1286456196 /nfs/dbraw/zinc/45/61/96/1286456196.db2.gz XQCCTOFVPYMMOV-MRBYEJRBSA-N 1 2 326.343 2.963 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1F ZINC001173183377 1286456199 /nfs/dbraw/zinc/45/61/99/1286456199.db2.gz XQCCTOFVPYMMOV-MRBYEJRBSA-N 1 2 326.343 2.963 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC(=O)[C@H](C)C2)c1F ZINC001173183161 1286456682 /nfs/dbraw/zinc/45/66/82/1286456682.db2.gz WWRLCKNPDBWAFH-VXGBXAGGSA-N 1 2 338.379 2.975 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC(=O)[C@H](C)C2)c1F ZINC001173183161 1286456687 /nfs/dbraw/zinc/45/66/87/1286456687.db2.gz WWRLCKNPDBWAFH-VXGBXAGGSA-N 1 2 338.379 2.975 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001173226569 1286481056 /nfs/dbraw/zinc/48/10/56/1286481056.db2.gz MPLPBASLIWSZHN-GFCCVEGCSA-N 1 2 335.404 2.735 20 5 EFBDLO COc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001176360169 1287965229 /nfs/dbraw/zinc/96/52/29/1287965229.db2.gz LQCBRBRKQJYZAQ-UHFFFAOYSA-N 1 2 330.344 2.579 20 5 EFBDLO Cc1cc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000823402424 1289293705 /nfs/dbraw/zinc/29/37/05/1289293705.db2.gz WQAIDNWSNJYDPY-NSHDSACASA-N 1 2 348.359 2.685 20 5 EFBDLO O=C(OC1CCSCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000873557791 1289920132 /nfs/dbraw/zinc/92/01/32/1289920132.db2.gz IEWYXUXXBMTOGU-UHFFFAOYSA-N 1 2 333.369 2.833 20 5 EFBDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000874894659 1290414685 /nfs/dbraw/zinc/41/46/85/1290414685.db2.gz JLZLQWRQAMLFKJ-INIZCTEOSA-N 1 2 343.358 2.829 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000877965727 1291431484 /nfs/dbraw/zinc/43/14/84/1291431484.db2.gz NCIRXXZQNWNBFO-UHFFFAOYSA-N 1 2 346.412 2.908 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000877965727 1291431489 /nfs/dbraw/zinc/43/14/89/1291431489.db2.gz NCIRXXZQNWNBFO-UHFFFAOYSA-N 1 2 346.412 2.908 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccn1 ZINC000796012115 1291871315 /nfs/dbraw/zinc/87/13/15/1291871315.db2.gz XQJXGULKOBVJOV-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](CF)C1 ZINC000880295150 1292440082 /nfs/dbraw/zinc/44/00/82/1292440082.db2.gz PLRXSRVFDAJCGR-VHSXEESVSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](CF)C1 ZINC000880295150 1292440088 /nfs/dbraw/zinc/44/00/88/1292440088.db2.gz PLRXSRVFDAJCGR-VHSXEESVSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@H](Oc1ccnc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233857690 1313006222 /nfs/dbraw/zinc/00/62/22/1313006222.db2.gz OVLRWSSSDNGQCO-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ccnc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233857690 1313006225 /nfs/dbraw/zinc/00/62/25/1313006225.db2.gz OVLRWSSSDNGQCO-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO CO[C@H]1CC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000800033133 1293890108 /nfs/dbraw/zinc/89/01/08/1293890108.db2.gz BAZMPCRMMIXUEJ-QWHCGFSZSA-N 1 2 331.328 2.505 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001234364803 1313114176 /nfs/dbraw/zinc/11/41/76/1313114176.db2.gz WZIQHUVWUNLVSU-OAHLLOKOSA-N 1 2 349.431 2.685 20 5 EFBDLO CCOC(=[NH2+])c1ccc(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001234587538 1313163096 /nfs/dbraw/zinc/16/30/96/1313163096.db2.gz BDKUHAZNZJRXNH-LLVKDONJSA-N 1 2 332.360 2.929 20 5 EFBDLO CC[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741647 1313187891 /nfs/dbraw/zinc/18/78/91/1313187891.db2.gz KALOJYZHTCGHAV-LBPRGKRZSA-N 1 2 341.363 2.830 20 5 EFBDLO CC[N@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741647 1313187892 /nfs/dbraw/zinc/18/78/92/1313187892.db2.gz KALOJYZHTCGHAV-LBPRGKRZSA-N 1 2 341.363 2.830 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000776274669 1297337025 /nfs/dbraw/zinc/33/70/25/1297337025.db2.gz AQTJNRXUEKWGED-QGZVFWFLSA-N 1 2 325.324 2.893 20 5 EFBDLO CCn1c[nH+]c2c1CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000933259155 1297482622 /nfs/dbraw/zinc/48/26/22/1297482622.db2.gz ALFWAFIJSCIBER-UHFFFAOYSA-N 1 2 327.344 2.511 20 5 EFBDLO Cc1nn(C[NH+]2CCC(N(C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000084482304 1298790723 /nfs/dbraw/zinc/79/07/23/1298790723.db2.gz CIUODZFFHKDWKS-UHFFFAOYSA-N 1 2 343.431 2.966 20 5 EFBDLO Cc1nn(C[NH+]2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000779868410 1298981809 /nfs/dbraw/zinc/98/18/09/1298981809.db2.gz PUWFSNQPNVACNU-UHFFFAOYSA-N 1 2 348.428 2.683 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852038494 1299519887 /nfs/dbraw/zinc/51/98/87/1299519887.db2.gz DSMVMHKKYRWITF-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852038494 1299519894 /nfs/dbraw/zinc/51/98/94/1299519894.db2.gz DSMVMHKKYRWITF-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852155506 1299569234 /nfs/dbraw/zinc/56/92/34/1299569234.db2.gz JAMAHXKOAFYNFW-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852155506 1299569243 /nfs/dbraw/zinc/56/92/43/1299569243.db2.gz JAMAHXKOAFYNFW-UHFFFAOYSA-N 1 2 327.356 2.690 20 5 EFBDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000852306775 1299645354 /nfs/dbraw/zinc/64/53/54/1299645354.db2.gz RIVFATSYLNUBDE-DOMZBBRYSA-N 1 2 338.404 2.680 20 5 EFBDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000852306775 1299645368 /nfs/dbraw/zinc/64/53/68/1299645368.db2.gz RIVFATSYLNUBDE-DOMZBBRYSA-N 1 2 338.404 2.680 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776607860 1299782212 /nfs/dbraw/zinc/78/22/12/1299782212.db2.gz LCUNTBZAPUSOBT-RBUKOAKNSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776607860 1299782216 /nfs/dbraw/zinc/78/22/16/1299782216.db2.gz LCUNTBZAPUSOBT-RBUKOAKNSA-N 1 2 342.395 2.572 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794624296 1302867962 /nfs/dbraw/zinc/86/79/62/1302867962.db2.gz UJPJXBUGSTWZAH-ZDUSSCGKSA-N 1 2 346.387 2.880 20 5 EFBDLO CC(C)C[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794624296 1302867975 /nfs/dbraw/zinc/86/79/75/1302867975.db2.gz UJPJXBUGSTWZAH-ZDUSSCGKSA-N 1 2 346.387 2.880 20 5 EFBDLO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630683 1302874942 /nfs/dbraw/zinc/87/49/42/1302874942.db2.gz GZTRFMMDBKQFDU-LBPRGKRZSA-N 1 2 334.376 2.737 20 5 EFBDLO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630683 1302874951 /nfs/dbraw/zinc/87/49/51/1302874951.db2.gz GZTRFMMDBKQFDU-LBPRGKRZSA-N 1 2 334.376 2.737 20 5 EFBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794632429 1302876437 /nfs/dbraw/zinc/87/64/37/1302876437.db2.gz JXARRERCCWALLO-KGLIPLIRSA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1(C)C ZINC000794632429 1302876448 /nfs/dbraw/zinc/87/64/48/1302876448.db2.gz JXARRERCCWALLO-KGLIPLIRSA-N 1 2 349.387 2.596 20 5 EFBDLO O=[N+]([O-])c1cc(CO)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000865427484 1303251918 /nfs/dbraw/zinc/25/19/18/1303251918.db2.gz HCZWLBHTGNHINA-UHFFFAOYSA-N 1 2 332.335 2.965 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2ccc(F)cc2C1=O ZINC000800866145 1308575976 /nfs/dbraw/zinc/57/59/76/1308575976.db2.gz UIMQSQKXTXGJMK-UHFFFAOYSA-N 1 2 343.358 2.822 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2ccc(F)cc2C1=O ZINC000800866145 1308575978 /nfs/dbraw/zinc/57/59/78/1308575978.db2.gz UIMQSQKXTXGJMK-UHFFFAOYSA-N 1 2 343.358 2.822 20 5 EFBDLO O=C(CNc1cccc[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900838269 1308750469 /nfs/dbraw/zinc/75/04/69/1308750469.db2.gz NTCKDQDYFZPFNO-INIZCTEOSA-N 1 2 344.396 2.676 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901116074 1309507695 /nfs/dbraw/zinc/50/76/95/1309507695.db2.gz BPJVYJIMGRRNIO-UHFFFAOYSA-N 1 2 340.742 2.746 20 5 EFBDLO O=C(CNc1cccc[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000901133819 1309569691 /nfs/dbraw/zinc/56/96/91/1309569691.db2.gz FHECJJZFFXGDFG-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=[N+]([O-])c1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1O ZINC001210394976 1314325763 /nfs/dbraw/zinc/32/57/63/1314325763.db2.gz LIGRUIJQHJUMGO-UHFFFAOYSA-N 1 2 329.356 2.876 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CC)CN1C(C)=O ZINC000801519767 1310445054 /nfs/dbraw/zinc/44/50/54/1310445054.db2.gz WBXMQCGELDKQBK-HUUCEWRRSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CC)CN1C(C)=O ZINC000801519767 1310445056 /nfs/dbraw/zinc/44/50/56/1310445056.db2.gz WBXMQCGELDKQBK-HUUCEWRRSA-N 1 2 337.395 2.955 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000749287380 1311025726 /nfs/dbraw/zinc/02/57/26/1311025726.db2.gz GGJVCUNTKHRZOP-UHFFFAOYSA-N 1 2 344.318 2.669 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000749287380 1311025729 /nfs/dbraw/zinc/02/57/29/1311025729.db2.gz GGJVCUNTKHRZOP-UHFFFAOYSA-N 1 2 344.318 2.669 20 5 EFBDLO Cc1cc(CO[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc(C)[nH+]1 ZINC001223423324 1311259049 /nfs/dbraw/zinc/25/90/49/1311259049.db2.gz BMMAPIFZQYMEIK-KRWDZBQOSA-N 1 2 330.340 2.962 20 5 EFBDLO O=[N+]([O-])c1cc(COC2C[NH+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223486366 1311267100 /nfs/dbraw/zinc/26/71/00/1311267100.db2.gz RGXHOEYOQIVYGB-UHFFFAOYSA-N 1 2 343.339 2.904 20 5 EFBDLO O=[N+]([O-])c1ccc(COC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001224095057 1311342077 /nfs/dbraw/zinc/34/20/77/1311342077.db2.gz MHGXKPOAQCQMAY-UHFFFAOYSA-N 1 2 343.339 2.904 20 5 EFBDLO CC(C)C(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159306424 1311490421 /nfs/dbraw/zinc/49/04/21/1311490421.db2.gz IPUNJIHRRYVMDQ-UHFFFAOYSA-N 1 2 337.445 2.951 20 5 EFBDLO CC(C)C(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159306424 1311490423 /nfs/dbraw/zinc/49/04/23/1311490423.db2.gz IPUNJIHRRYVMDQ-UHFFFAOYSA-N 1 2 337.445 2.951 20 5 EFBDLO C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225592008 1311549060 /nfs/dbraw/zinc/54/90/60/1311549060.db2.gz BBQFYGPWLFGCMV-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225592008 1311549063 /nfs/dbraw/zinc/54/90/63/1311549063.db2.gz BBQFYGPWLFGCMV-RHSMWYFYSA-N 1 2 343.383 2.658 20 5 EFBDLO Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225661304 1311561158 /nfs/dbraw/zinc/56/11/58/1311561158.db2.gz JPSJPEOYJBLZMX-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225661304 1311561160 /nfs/dbraw/zinc/56/11/60/1311561160.db2.gz JPSJPEOYJBLZMX-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226116689 1311615315 /nfs/dbraw/zinc/61/53/15/1311615315.db2.gz UALGLFPHGTZGKP-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccnc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226116689 1311615317 /nfs/dbraw/zinc/61/53/17/1311615317.db2.gz UALGLFPHGTZGKP-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO COc1cc(Br)c(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226279293 1311641792 /nfs/dbraw/zinc/64/17/92/1311641792.db2.gz ITPOQXIVFSATEX-VIFPVBQESA-N 1 2 345.193 2.839 20 5 EFBDLO COc1cc(Br)c(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226279293 1311641795 /nfs/dbraw/zinc/64/17/95/1311641795.db2.gz ITPOQXIVFSATEX-VIFPVBQESA-N 1 2 345.193 2.839 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000902404663 1311715152 /nfs/dbraw/zinc/71/51/52/1311715152.db2.gz ANNYWKFHSFNMDB-UHFFFAOYSA-N 1 2 333.417 2.574 20 5 EFBDLO Cc1nn(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)cc1[N+](=O)[O-] ZINC000902408665 1311719313 /nfs/dbraw/zinc/71/93/13/1311719313.db2.gz DDWOXUKFOCQUEH-UHFFFAOYSA-N 1 2 347.444 2.882 20 5 EFBDLO COc1ncnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1[N+](=O)[O-] ZINC001160683730 1311759014 /nfs/dbraw/zinc/75/90/14/1311759014.db2.gz QLOQAZPQWWSTND-JTQLQIEISA-N 1 2 328.332 2.523 20 5 EFBDLO CCOc1nc(NCc2c[nH+]cn2CC2CCC2)ccc1[N+](=O)[O-] ZINC001161533160 1311909178 /nfs/dbraw/zinc/90/91/78/1311909178.db2.gz JPHQTIMGSWYOCS-UHFFFAOYSA-N 1 2 331.376 2.997 20 5 EFBDLO COc1cc2ncnc(NCc3c[nH+]cn3C(C)C)c2cc1[N+](=O)[O-] ZINC001161565085 1311917110 /nfs/dbraw/zinc/91/71/10/1311917110.db2.gz JRHDYWDCTVCMNO-UHFFFAOYSA-N 1 2 342.359 2.936 20 5 EFBDLO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C2 ZINC001228861567 1312011870 /nfs/dbraw/zinc/01/18/70/1312011870.db2.gz FHUOUMRODLVMBN-AYMMMOKOSA-N 1 2 347.293 2.718 20 5 EFBDLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C2 ZINC001228861567 1312011872 /nfs/dbraw/zinc/01/18/72/1312011872.db2.gz FHUOUMRODLVMBN-AYMMMOKOSA-N 1 2 347.293 2.718 20 5 EFBDLO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228880909 1312015045 /nfs/dbraw/zinc/01/50/45/1312015045.db2.gz ZUVSSWKITSVKLK-KBXCAEBGSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228880909 1312015047 /nfs/dbraw/zinc/01/50/47/1312015047.db2.gz ZUVSSWKITSVKLK-KBXCAEBGSA-N 1 2 343.383 2.658 20 5 EFBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228968754 1312029088 /nfs/dbraw/zinc/02/90/88/1312029088.db2.gz OYPLDLYUCOISEY-CQSZACIVSA-N 1 2 330.340 2.659 20 5 EFBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228968754 1312029091 /nfs/dbraw/zinc/02/90/91/1312029091.db2.gz OYPLDLYUCOISEY-CQSZACIVSA-N 1 2 330.340 2.659 20 5 EFBDLO COc1cc[nH+]c(C(C)(C)CNc2cc(OC)c([N+](=O)[O-])cn2)c1 ZINC001162129960 1312053040 /nfs/dbraw/zinc/05/30/40/1312053040.db2.gz SWOVWPQSSJUUAR-UHFFFAOYSA-N 1 2 332.360 2.792 20 5 EFBDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001162220297 1312070197 /nfs/dbraw/zinc/07/01/97/1312070197.db2.gz OAMIRZARLPBMHV-UHFFFAOYSA-N 1 2 334.754 2.765 20 5 EFBDLO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NCc1ccc2[nH+]ccn2c1 ZINC001163136800 1312249113 /nfs/dbraw/zinc/24/91/13/1312249113.db2.gz PQHSXJNBOBGQNY-UHFFFAOYSA-N 1 2 339.142 2.951 20 5 EFBDLO C[NH+](C)/C=C/c1cc(N2CCC(=O)[C@@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001163792238 1312385574 /nfs/dbraw/zinc/38/55/74/1312385574.db2.gz DZGFUGMSFLCBQS-VIGJRRFGSA-N 1 2 344.415 2.860 20 5 EFBDLO C[NH+](C)/C=C/c1cc(N2CCC(=O)[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001163792234 1312385591 /nfs/dbraw/zinc/38/55/91/1312385591.db2.gz DZGFUGMSFLCBQS-LPXAQJHASA-N 1 2 344.415 2.860 20 5 EFBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163846213 1312394585 /nfs/dbraw/zinc/39/45/85/1312394585.db2.gz UXKGZIZWTYIBOC-QPJJXVBHSA-N 1 2 342.374 2.964 20 5 EFBDLO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[NH2+]CC(F)(F)C1 ZINC001164502386 1312527686 /nfs/dbraw/zinc/52/76/86/1312527686.db2.gz RHLFSBGQAUAEHX-UHFFFAOYSA-N 1 2 342.733 2.841 20 5 EFBDLO COCCN1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220089 1312651431 /nfs/dbraw/zinc/65/14/31/1312651431.db2.gz JDGMFNOTLUGUCN-UHFFFAOYSA-N 1 2 336.439 2.547 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219482 1312651597 /nfs/dbraw/zinc/65/15/97/1312651597.db2.gz URPNXXZEFSMOON-LJQANCHMSA-N 1 2 339.370 2.870 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219482 1312651601 /nfs/dbraw/zinc/65/16/01/1312651601.db2.gz URPNXXZEFSMOON-LJQANCHMSA-N 1 2 339.370 2.870 20 5 EFBDLO c1cnc2c(c1)ccc1ccc(C[NH+]3CCN([C@H]4CCOC4)CC3)nc12 ZINC001232219633 1312651694 /nfs/dbraw/zinc/65/16/94/1312651694.db2.gz XIYDYKQRBJLGTJ-IBGZPJMESA-N 1 2 348.450 2.690 20 5 EFBDLO O=[N+]([O-])c1cccc(O[C@@H]2CC[NH2+]CC2(F)F)c1Br ZINC001218004450 1315131803 /nfs/dbraw/zinc/13/18/03/1315131803.db2.gz DPXWAUYTGRIQIT-SECBINFHSA-N 1 2 337.120 2.733 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218009204 1315132385 /nfs/dbraw/zinc/13/23/85/1315132385.db2.gz ZGZOVGNFBQMTGY-JTQLQIEISA-N 1 2 337.120 2.733 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218174889 1315159440 /nfs/dbraw/zinc/15/94/40/1315159440.db2.gz VQJMIVSGMACOBT-GJZGRUSLSA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218177744 1315160404 /nfs/dbraw/zinc/16/04/04/1315160404.db2.gz LQHMIVQBTQIOGQ-SJCJKPOMSA-N 1 2 337.375 2.981 20 5 EFBDLO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH2+]CC3(F)F)ccc12 ZINC001218235003 1315167973 /nfs/dbraw/zinc/16/79/73/1315167973.db2.gz IQTFHJNNZNPLKB-OAHLLOKOSA-N 1 2 333.290 2.638 20 5 EFBDLO COC(=O)c1cc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)cc([N+](=O)[O-])c1 ZINC001251528582 1315353377 /nfs/dbraw/zinc/35/33/77/1315353377.db2.gz CNWPEOYCNHOPJC-UHFFFAOYSA-N 1 2 340.339 2.991 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318450496 1328596064 /nfs/dbraw/zinc/59/60/64/1328596064.db2.gz FXYYCFZUHKYRCD-QGZVFWFLSA-N 1 2 340.383 2.983 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318450496 1328596067 /nfs/dbraw/zinc/59/60/67/1328596067.db2.gz FXYYCFZUHKYRCD-QGZVFWFLSA-N 1 2 340.383 2.983 20 5 EFBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533245 1315720448 /nfs/dbraw/zinc/72/04/48/1315720448.db2.gz YUHSMYOYCMPDQR-WMLDXEAASA-N 1 2 342.395 2.900 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001254564126 1315724231 /nfs/dbraw/zinc/72/42/31/1315724231.db2.gz ISOKHJDAGHNBJH-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001254564126 1315724234 /nfs/dbraw/zinc/72/42/34/1315724234.db2.gz ISOKHJDAGHNBJH-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600767 1315729584 /nfs/dbraw/zinc/72/95/84/1315729584.db2.gz RIZBVYRFEFWVQY-HZPDHXFCSA-N 1 2 328.372 2.981 20 5 EFBDLO Cc1nc([C@H]2CCCC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254600767 1315729587 /nfs/dbraw/zinc/72/95/87/1315729587.db2.gz RIZBVYRFEFWVQY-HZPDHXFCSA-N 1 2 328.372 2.981 20 5 EFBDLO COC(=O)C[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602985 1315729619 /nfs/dbraw/zinc/72/96/19/1315729619.db2.gz JNWNXYMLAUHCSE-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO COC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602985 1315729622 /nfs/dbraw/zinc/72/96/22/1315729622.db2.gz JNWNXYMLAUHCSE-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO COc1cc(N2CCC([N@H+]3C[C@@H](F)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093749 1315904396 /nfs/dbraw/zinc/90/43/96/1315904396.db2.gz PWZIWHRDXPADCC-OKILXGFUSA-N 1 2 341.358 2.564 20 5 EFBDLO COc1cc(N2CCC([N@@H+]3C[C@@H](F)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093749 1315904399 /nfs/dbraw/zinc/90/43/99/1315904399.db2.gz PWZIWHRDXPADCC-OKILXGFUSA-N 1 2 341.358 2.564 20 5 EFBDLO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133270030 1316025558 /nfs/dbraw/zinc/02/55/58/1316025558.db2.gz FDXYOYDHFPWQFD-CHWSQXEVSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133270030 1316025562 /nfs/dbraw/zinc/02/55/62/1316025562.db2.gz FDXYOYDHFPWQFD-CHWSQXEVSA-N 1 2 346.387 2.880 20 5 EFBDLO CC(C)(C)CN1CCC[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001320235328 1329105128 /nfs/dbraw/zinc/10/51/28/1329105128.db2.gz WHTAFJUUKFJJKF-INIZCTEOSA-N 1 2 331.416 2.948 20 5 EFBDLO CC(C)(C)CN1CCC[C@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001320235328 1329105132 /nfs/dbraw/zinc/10/51/32/1329105132.db2.gz WHTAFJUUKFJJKF-INIZCTEOSA-N 1 2 331.416 2.948 20 5 EFBDLO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC001323543020 1329550252 /nfs/dbraw/zinc/55/02/52/1329550252.db2.gz WXUPGUGDECUMJQ-UHFFFAOYSA-N 1 2 343.225 2.673 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001325412374 1329686381 /nfs/dbraw/zinc/68/63/81/1329686381.db2.gz YOMXHWVMUCFRGE-HIFRSBDPSA-N 1 2 328.372 2.759 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(-c3ccccn3)o2)ccc1-n1cc[nH+]c1 ZINC001328070090 1330549814 /nfs/dbraw/zinc/54/98/14/1330549814.db2.gz JTERFQKJRJCIQE-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC001331220012 1330806810 /nfs/dbraw/zinc/80/68/10/1330806810.db2.gz AVZQBPZEFZDBGR-HNNXBMFYSA-N 1 2 344.415 2.656 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001337677682 1331591790 /nfs/dbraw/zinc/59/17/90/1331591790.db2.gz GRVKRPKYFUSWPQ-NSHDSACASA-N 1 2 347.350 2.879 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001343740091 1332375058 /nfs/dbraw/zinc/37/50/58/1332375058.db2.gz VQKFNFJGWRTDOM-JKSUJKDBSA-N 1 2 329.356 2.608 20 5 EFBDLO COCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001344824623 1332485795 /nfs/dbraw/zinc/48/57/95/1332485795.db2.gz IICNGRAQODZKDN-LBPRGKRZSA-N 1 2 333.344 2.752 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC001347278232 1332730842 /nfs/dbraw/zinc/73/08/42/1332730842.db2.gz CXURBIKMXAZMQG-MRXNPFEDSA-N 1 2 343.358 2.829 20 5 EFBDLO Cn1cc[nH+]c1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001349027816 1332897240 /nfs/dbraw/zinc/89/72/40/1332897240.db2.gz LQIGJMAPCVZWRR-MRXNPFEDSA-N 1 2 346.412 2.535 20 5 EFBDLO CSCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000890876647 713534653 /nfs/dbraw/zinc/53/46/53/713534653.db2.gz JNSIHVJYWMARPN-UHFFFAOYSA-N 1 2 334.401 2.652 20 5 EFBDLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000932972547 714377813 /nfs/dbraw/zinc/37/78/13/714377813.db2.gz SUOULTYVWZDURW-LBPRGKRZSA-N 1 2 329.194 2.968 20 5 EFBDLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000932972547 714377816 /nfs/dbraw/zinc/37/78/16/714377816.db2.gz SUOULTYVWZDURW-LBPRGKRZSA-N 1 2 329.194 2.968 20 5 EFBDLO Cc1cc(F)ncc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000891471419 714771378 /nfs/dbraw/zinc/77/13/78/714771378.db2.gz SMKYUQUZGFCRFX-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543651 714839079 /nfs/dbraw/zinc/83/90/79/714839079.db2.gz IEJUJPBTIRGITO-DYVFJYSZSA-N 1 2 330.388 2.771 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543651 714839081 /nfs/dbraw/zinc/83/90/81/714839081.db2.gz IEJUJPBTIRGITO-DYVFJYSZSA-N 1 2 330.388 2.771 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)cc1C ZINC000891784413 715016754 /nfs/dbraw/zinc/01/67/54/715016754.db2.gz XBNSHWITHOZVLE-GFCCVEGCSA-N 1 2 332.360 2.777 20 5 EFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(CO)CC2)c1Br ZINC000236474360 715196862 /nfs/dbraw/zinc/19/68/62/715196862.db2.gz RIVKCGJGGVTGML-UHFFFAOYSA-N 1 2 329.194 2.562 20 5 EFBDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000896962290 723916516 /nfs/dbraw/zinc/91/65/16/723916516.db2.gz KBPYKNBUPSMTFO-SNVBAGLBSA-N 1 2 344.314 2.581 20 5 EFBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000896962290 723916518 /nfs/dbraw/zinc/91/65/18/723916518.db2.gz KBPYKNBUPSMTFO-SNVBAGLBSA-N 1 2 344.314 2.581 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC000980664199 717552758 /nfs/dbraw/zinc/55/27/58/717552758.db2.gz ZCWFDDMBMJFBRN-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC000980664199 717552761 /nfs/dbraw/zinc/55/27/61/717552761.db2.gz ZCWFDDMBMJFBRN-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892693466 718747058 /nfs/dbraw/zinc/74/70/58/718747058.db2.gz BQAACTBLBJVGQN-LBPRGKRZSA-N 1 2 349.822 2.865 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981768159 719017273 /nfs/dbraw/zinc/01/72/73/719017273.db2.gz MFCCIXLRFXVBCB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981768159 719017278 /nfs/dbraw/zinc/01/72/78/719017278.db2.gz MFCCIXLRFXVBCB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000981792648 719047160 /nfs/dbraw/zinc/04/71/60/719047160.db2.gz PJLMZFDWBKRWGU-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000981792648 719047165 /nfs/dbraw/zinc/04/71/65/719047165.db2.gz PJLMZFDWBKRWGU-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000798397004 724556780 /nfs/dbraw/zinc/55/67/80/724556780.db2.gz OYCCHBIBJYTADJ-ZJUUUORDSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000798397004 724556782 /nfs/dbraw/zinc/55/67/82/724556782.db2.gz OYCCHBIBJYTADJ-ZJUUUORDSA-N 1 2 328.210 2.886 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)c1cccs1 ZINC001025658660 719289182 /nfs/dbraw/zinc/28/91/82/719289182.db2.gz DLAZFFSLBQYOEY-YABSGUDNSA-N 1 2 349.437 2.578 20 5 EFBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)c1cccs1 ZINC001025658660 719289184 /nfs/dbraw/zinc/28/91/84/719289184.db2.gz DLAZFFSLBQYOEY-YABSGUDNSA-N 1 2 349.437 2.578 20 5 EFBDLO CN(CCO)c1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1 ZINC000893141445 719730164 /nfs/dbraw/zinc/73/01/64/719730164.db2.gz QWZZAYIXZLUZQW-UHFFFAOYSA-N 1 2 336.779 2.684 20 5 EFBDLO COc1cc([N+](=O)[O-])cnc1NCCc1cn2c(cccc2C)[nH+]1 ZINC000894364171 722616337 /nfs/dbraw/zinc/61/63/37/722616337.db2.gz NTVXDOSPUDOJLM-UHFFFAOYSA-N 1 2 327.344 2.609 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-])C1(CF)CC1 ZINC001029467915 723160879 /nfs/dbraw/zinc/16/08/79/723160879.db2.gz GOZJPRQNUXKVJJ-GASCZTMLSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-])C1(CF)CC1 ZINC001029467915 723160881 /nfs/dbraw/zinc/16/08/81/723160881.db2.gz GOZJPRQNUXKVJJ-GASCZTMLSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029248490 723171901 /nfs/dbraw/zinc/17/19/01/723171901.db2.gz ZAMMFFLKQDRYPW-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029248490 723171903 /nfs/dbraw/zinc/17/19/03/723171903.db2.gz ZAMMFFLKQDRYPW-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029317883 723341402 /nfs/dbraw/zinc/34/14/02/723341402.db2.gz QXSMPTRYBUAZMC-GASCZTMLSA-N 1 2 329.400 2.570 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029317883 723341407 /nfs/dbraw/zinc/34/14/07/723341407.db2.gz QXSMPTRYBUAZMC-GASCZTMLSA-N 1 2 329.400 2.570 20 5 EFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1OC(F)F)C2 ZINC000896659416 723421406 /nfs/dbraw/zinc/42/14/06/723421406.db2.gz DYBQHCIIXSRGEC-UHFFFAOYSA-N 1 2 338.314 2.975 20 5 EFBDLO O=[N+]([O-])c1cc(CO)c(N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000895346308 724054250 /nfs/dbraw/zinc/05/42/50/724054250.db2.gz HICPEXRBSLZATM-UHFFFAOYSA-N 1 2 346.362 2.702 20 5 EFBDLO CC1(C)COCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210021 726822833 /nfs/dbraw/zinc/82/28/33/726822833.db2.gz JLNVMVWUPIMRGC-UHFFFAOYSA-N 1 2 336.417 2.727 20 5 EFBDLO CC1(C)COCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210021 726822837 /nfs/dbraw/zinc/82/28/37/726822837.db2.gz JLNVMVWUPIMRGC-UHFFFAOYSA-N 1 2 336.417 2.727 20 5 EFBDLO CC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000232839273 727081738 /nfs/dbraw/zinc/08/17/38/727081738.db2.gz ZQTHRPVVARKNGT-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1cc(F)cc(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000150741958 727717484 /nfs/dbraw/zinc/71/74/84/727717484.db2.gz MDMVQRHAFPWHFK-UHFFFAOYSA-N 1 2 332.335 2.669 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614580 727730122 /nfs/dbraw/zinc/73/01/22/727730122.db2.gz BVOGAUTWTHRFNE-UHFFFAOYSA-N 1 2 330.388 2.882 20 5 EFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652606 727732669 /nfs/dbraw/zinc/73/26/69/727732669.db2.gz JKRNAWKHHXEBTI-CQSZACIVSA-N 1 2 340.383 2.723 20 5 EFBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156432839 727917386 /nfs/dbraw/zinc/91/73/86/727917386.db2.gz SNGVISDNTUWTQC-LSDHHAIUSA-N 1 2 349.387 2.596 20 5 EFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000156432839 727917388 /nfs/dbraw/zinc/91/73/88/727917388.db2.gz SNGVISDNTUWTQC-LSDHHAIUSA-N 1 2 349.387 2.596 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000129589120 727931409 /nfs/dbraw/zinc/93/14/09/727931409.db2.gz JFHUBQYUBDHXPF-SNVBAGLBSA-N 1 2 344.820 2.899 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000129589120 727931413 /nfs/dbraw/zinc/93/14/13/727931413.db2.gz JFHUBQYUBDHXPF-SNVBAGLBSA-N 1 2 344.820 2.899 20 5 EFBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1occc1Cl ZINC001031950598 727988926 /nfs/dbraw/zinc/98/89/26/727988926.db2.gz OOLOOSOUQGVASB-UHFFFAOYSA-N 1 2 349.774 2.703 20 5 EFBDLO CC(C)C1CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000172956424 728612074 /nfs/dbraw/zinc/61/20/74/728612074.db2.gz VJFXPGNMMWBUJB-UHFFFAOYSA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172968917 728612868 /nfs/dbraw/zinc/61/28/68/728612868.db2.gz IPAZSNKHWAUSCR-CYBMUJFWSA-N 1 2 349.822 2.781 20 5 EFBDLO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)Cn2nccc2[N+](=O)[O-])cc1 ZINC000173427558 728626137 /nfs/dbraw/zinc/62/61/37/728626137.db2.gz LZRIJCPIAQYTCC-KRWDZBQOSA-N 1 2 344.415 2.781 20 5 EFBDLO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)Cn2nccc2[N+](=O)[O-])cc1 ZINC000173427558 728626138 /nfs/dbraw/zinc/62/61/38/728626138.db2.gz LZRIJCPIAQYTCC-KRWDZBQOSA-N 1 2 344.415 2.781 20 5 EFBDLO CCCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241998 728656107 /nfs/dbraw/zinc/65/61/07/728656107.db2.gz IWJMQMDMHZMKNF-ZDUSSCGKSA-N 1 2 336.388 2.780 20 5 EFBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1sccc1F ZINC001031648719 729156740 /nfs/dbraw/zinc/15/67/40/729156740.db2.gz AYJAEJOQDJCXFY-UHFFFAOYSA-N 1 2 349.387 2.657 20 5 EFBDLO C[C@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001576179212 1088982294 /nfs/dbraw/zinc/98/22/94/1088982294.db2.gz AVKNNCSEXJJYCS-VFZGTOFNSA-N 1 2 335.310 2.750 20 5 EFBDLO COCc1ccccc1COC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579093993 1090517073 /nfs/dbraw/zinc/51/70/73/1090517073.db2.gz SUZJJVPAGAGJDM-GOSISDBHSA-N 1 2 344.367 2.659 20 5 EFBDLO C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001579405861 1090606042 /nfs/dbraw/zinc/60/60/42/1090606042.db2.gz FRURXODNEFHOCE-RFAUZJTJSA-N 1 2 335.310 2.750 20 5 EFBDLO C[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093340676 1099523813 /nfs/dbraw/zinc/52/38/13/1099523813.db2.gz GZSXDQUDAZZHJQ-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093340676 1099523820 /nfs/dbraw/zinc/52/38/20/1099523820.db2.gz GZSXDQUDAZZHJQ-CQSZACIVSA-N 1 2 343.221 2.952 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000047252710 1100498712 /nfs/dbraw/zinc/49/87/12/1100498712.db2.gz UMSOGHZKCYFLEQ-UHFFFAOYSA-N 1 2 327.344 2.770 20 5 EFBDLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840186793 1100871317 /nfs/dbraw/zinc/87/13/17/1100871317.db2.gz DMNCEEHAFICAFL-CYBMUJFWSA-N 1 2 338.408 2.583 20 5 EFBDLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840186793 1100871324 /nfs/dbraw/zinc/87/13/24/1100871324.db2.gz DMNCEEHAFICAFL-CYBMUJFWSA-N 1 2 338.408 2.583 20 5 EFBDLO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123555 1101803071 /nfs/dbraw/zinc/80/30/71/1101803071.db2.gz BVNHTMGBONILBV-UHFFFAOYSA-N 1 2 343.174 2.730 20 5 EFBDLO O=[N+]([O-])c1cccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1F ZINC001210377928 1102531917 /nfs/dbraw/zinc/53/19/17/1102531917.db2.gz DJSJPIFMIWJORQ-UHFFFAOYSA-N 1 2 332.335 2.834 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587678 1104310463 /nfs/dbraw/zinc/31/04/63/1104310463.db2.gz CQGYDOWFSHGAGF-WBVHZDCISA-N 1 2 342.374 2.807 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H](C)[C@H]1C ZINC000841694955 1104627159 /nfs/dbraw/zinc/62/71/59/1104627159.db2.gz YRYSDRFHTOVRRL-RDBSUJKOSA-N 1 2 342.399 2.752 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H](C)[C@H]1C ZINC000841694955 1104627162 /nfs/dbraw/zinc/62/71/62/1104627162.db2.gz YRYSDRFHTOVRRL-RDBSUJKOSA-N 1 2 342.399 2.752 20 5 EFBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000841694948 1104628010 /nfs/dbraw/zinc/62/80/10/1104628010.db2.gz YRYSDRFHTOVRRL-HZSPNIEDSA-N 1 2 342.399 2.752 20 5 EFBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000841694948 1104628018 /nfs/dbraw/zinc/62/80/18/1104628018.db2.gz YRYSDRFHTOVRRL-HZSPNIEDSA-N 1 2 342.399 2.752 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842338484 1109520793 /nfs/dbraw/zinc/52/07/93/1109520793.db2.gz IQWWVZQCYWTNCU-LSDHHAIUSA-N 1 2 329.356 2.608 20 5 EFBDLO O=C(NOCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032155349 1111336688 /nfs/dbraw/zinc/33/66/88/1111336688.db2.gz RMYOPOLXFANQAF-UHFFFAOYSA-N 1 2 338.323 2.642 20 5 EFBDLO COCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112354056 1120317780 /nfs/dbraw/zinc/31/77/80/1120317780.db2.gz QKXMACKHOFGEPA-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[NH+](C)[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000433383784 282168698 /nfs/dbraw/zinc/16/86/98/282168698.db2.gz UASDZPBBTXRXKT-HNNXBMFYSA-N 1 2 329.356 2.932 20 5 EFBDLO Cc1c([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000183442204 235078594 /nfs/dbraw/zinc/07/85/94/235078594.db2.gz FUXJGLLPXAXAEJ-SNVBAGLBSA-N 1 2 342.359 2.538 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000183668548 235189580 /nfs/dbraw/zinc/18/95/80/235189580.db2.gz NFUYANBHIVNPFR-QPJJXVBHSA-N 1 2 338.411 2.821 20 5 EFBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000184664303 235459395 /nfs/dbraw/zinc/45/93/95/235459395.db2.gz DOHXXPKUOHLGBN-HNNXBMFYSA-N 1 2 347.371 2.720 20 5 EFBDLO CC[N@@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000025266381 202128883 /nfs/dbraw/zinc/12/88/83/202128883.db2.gz IOZRFZRHQAWRGI-UHFFFAOYSA-N 1 2 339.351 2.670 20 5 EFBDLO CC[N@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000025266381 202128886 /nfs/dbraw/zinc/12/88/86/202128886.db2.gz IOZRFZRHQAWRGI-UHFFFAOYSA-N 1 2 339.351 2.670 20 5 EFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000025257736 202129143 /nfs/dbraw/zinc/12/91/43/202129143.db2.gz UUXBYIRQYLOEBL-NSHDSACASA-N 1 2 349.293 2.663 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2[nH+]ccn21 ZINC000456441678 291141536 /nfs/dbraw/zinc/14/15/36/291141536.db2.gz ZIUKLAROCMJKRM-CABZTGNLSA-N 1 2 325.328 2.708 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000131510680 223242586 /nfs/dbraw/zinc/24/25/86/223242586.db2.gz CHRLIHSIJKNPCY-UHFFFAOYSA-N 1 2 331.416 2.744 20 5 EFBDLO CN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000131510680 223242588 /nfs/dbraw/zinc/24/25/88/223242588.db2.gz CHRLIHSIJKNPCY-UHFFFAOYSA-N 1 2 331.416 2.744 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000191591808 239200738 /nfs/dbraw/zinc/20/07/38/239200738.db2.gz BXPGBVKLDPQMLZ-UHFFFAOYSA-N 1 2 328.328 2.593 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000152529320 201393555 /nfs/dbraw/zinc/39/35/55/201393555.db2.gz NZJKYDDVEJAAJQ-UHFFFAOYSA-N 1 2 346.774 2.606 20 5 EFBDLO CCS(=O)(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000193241243 240073176 /nfs/dbraw/zinc/07/31/76/240073176.db2.gz MSBLMIBADKVZDC-ZDUSSCGKSA-N 1 2 340.445 2.863 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCC2 ZINC000193286360 240089508 /nfs/dbraw/zinc/08/95/08/240089508.db2.gz NWINZWSBURYMRT-OAHLLOKOSA-N 1 2 327.388 2.690 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)[NH+]1C ZINC000358693537 242130851 /nfs/dbraw/zinc/13/08/51/242130851.db2.gz ZESTZJMDBYGMPB-KBPBESRZSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000436895470 296104155 /nfs/dbraw/zinc/10/41/55/296104155.db2.gz VFVLFWWETQAJFN-PXAZEXFGSA-N 1 2 343.383 2.722 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000412392989 243301363 /nfs/dbraw/zinc/30/13/63/243301363.db2.gz COFRFKVEUCCKPV-BSLXNSKLSA-N 1 2 326.356 2.717 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073167281 203258591 /nfs/dbraw/zinc/25/85/91/203258591.db2.gz UITHXYNFNQCFET-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073167281 203258594 /nfs/dbraw/zinc/25/85/94/203258594.db2.gz UITHXYNFNQCFET-OAHLLOKOSA-N 1 2 346.387 2.892 20 5 EFBDLO COc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000076649671 203360114 /nfs/dbraw/zinc/36/01/14/203360114.db2.gz VFHVMFYCZGWPJE-UHFFFAOYSA-N 1 2 347.337 2.673 20 5 EFBDLO COc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000076649671 203360118 /nfs/dbraw/zinc/36/01/18/203360118.db2.gz VFHVMFYCZGWPJE-UHFFFAOYSA-N 1 2 347.337 2.673 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000104071605 204094633 /nfs/dbraw/zinc/09/46/33/204094633.db2.gz WNRNZNADCLMTJG-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCC2)CC1 ZINC000419310083 245372935 /nfs/dbraw/zinc/37/29/35/245372935.db2.gz XDHFLPNOUWUYJV-CYBMUJFWSA-N 1 2 347.415 2.955 20 5 EFBDLO COc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000109281701 204280248 /nfs/dbraw/zinc/28/02/48/204280248.db2.gz BFOHOFODNWVZFP-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111274978 204347234 /nfs/dbraw/zinc/34/72/34/204347234.db2.gz SXGIYTCPUJAFPU-UBHSHLNASA-N 1 2 335.404 2.730 20 5 EFBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111274978 204347236 /nfs/dbraw/zinc/34/72/36/204347236.db2.gz SXGIYTCPUJAFPU-UBHSHLNASA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000123938908 204940506 /nfs/dbraw/zinc/94/05/06/204940506.db2.gz WKUVDOIRJCQYIO-UHFFFAOYSA-N 1 2 346.456 2.986 20 5 EFBDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126450546 205057291 /nfs/dbraw/zinc/05/72/91/205057291.db2.gz YJBXOEXBZCJMLH-GPPYNADXSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000126451259 205057730 /nfs/dbraw/zinc/05/77/30/205057730.db2.gz YJBXOEXBZCJMLH-CEJLMLBOSA-N 1 2 340.383 2.914 20 5 EFBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127595443 205108967 /nfs/dbraw/zinc/10/89/67/205108967.db2.gz JDBNOEKJWRYCNY-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127595443 205108971 /nfs/dbraw/zinc/10/89/71/205108971.db2.gz JDBNOEKJWRYCNY-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127942003 205125079 /nfs/dbraw/zinc/12/50/79/205125079.db2.gz CRCMFKTZMYXVNV-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000127942003 205125082 /nfs/dbraw/zinc/12/50/82/205125082.db2.gz CRCMFKTZMYXVNV-CYBMUJFWSA-N 1 2 328.372 2.930 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245402194 205127369 /nfs/dbraw/zinc/12/73/69/205127369.db2.gz HGHUTBRBUFEJJK-WDEREUQCSA-N 1 2 341.795 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCO[C@@H](C)C1 ZINC000245402194 205127374 /nfs/dbraw/zinc/12/73/74/205127374.db2.gz HGHUTBRBUFEJJK-WDEREUQCSA-N 1 2 341.795 2.686 20 5 EFBDLO CC(C)(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128291899 205141966 /nfs/dbraw/zinc/14/19/66/205141966.db2.gz PGPNJSXRFMHDJF-SOFGYWHQSA-N 1 2 331.416 2.798 20 5 EFBDLO C[N@H+](CCOCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130933069 205266661 /nfs/dbraw/zinc/26/66/61/205266661.db2.gz WYBXEFACSDCUQK-UHFFFAOYSA-N 1 2 332.360 2.503 20 5 EFBDLO C[N@@H+](CCOCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130933069 205266663 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CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272707919 266359171 /nfs/dbraw/zinc/35/91/71/266359171.db2.gz XKQLHWWSWWQTOB-SBJJXXPASA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272707919 266359172 /nfs/dbraw/zinc/35/91/72/266359172.db2.gz XKQLHWWSWWQTOB-SBJJXXPASA-N 1 2 344.371 2.930 20 5 EFBDLO CCOc1cc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)ccc1[N+](=O)[O-] ZINC000276878726 267067005 /nfs/dbraw/zinc/06/70/05/267067005.db2.gz IPBDPHJQDDOPIM-GFCCVEGCSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOc1cc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)ccc1[N+](=O)[O-] ZINC000276878726 267067009 /nfs/dbraw/zinc/06/70/09/267067009.db2.gz IPBDPHJQDDOPIM-GFCCVEGCSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000276920568 267076988 /nfs/dbraw/zinc/07/69/88/267076988.db2.gz OZHRZVBEJPMHOY-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277866351 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349.431 2.684 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319365 273202229 /nfs/dbraw/zinc/20/22/29/273202229.db2.gz NYJWECWYPBBRAL-ZUCKAHLUSA-N 1 2 347.415 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319365 273202231 /nfs/dbraw/zinc/20/22/31/273202231.db2.gz NYJWECWYPBBRAL-ZUCKAHLUSA-N 1 2 347.415 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319363 273202253 /nfs/dbraw/zinc/20/22/53/273202253.db2.gz NYJWECWYPBBRAL-BTJLNZGRSA-N 1 2 347.415 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279319363 273202255 /nfs/dbraw/zinc/20/22/55/273202255.db2.gz NYJWECWYPBBRAL-BTJLNZGRSA-N 1 2 347.415 2.730 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C2CC2)O1 ZINC000279384413 273209537 /nfs/dbraw/zinc/20/95/37/273209537.db2.gz TUPOLUQEXLKHFE-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C2CC2)O1 ZINC000279384413 273209539 /nfs/dbraw/zinc/20/95/39/273209539.db2.gz TUPOLUQEXLKHFE-NHYWBVRUSA-N 1 2 344.371 2.644 20 5 EFBDLO Cc1cc(N2C[C@H](O)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279591669 273231681 /nfs/dbraw/zinc/23/16/81/273231681.db2.gz WKGKUGOACWTNNK-AWEZNQCLSA-N 1 2 328.372 2.567 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[N@H+]2CC=CCC2)c1 ZINC000279764095 273250757 /nfs/dbraw/zinc/25/07/57/273250757.db2.gz JJRRNCNNTOKCDU-UHFFFAOYSA-N 1 2 327.331 2.548 20 5 EFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[N@@H+]2CC=CCC2)c1 ZINC000279764095 273250758 /nfs/dbraw/zinc/25/07/58/273250758.db2.gz JJRRNCNNTOKCDU-UHFFFAOYSA-N 1 2 327.331 2.548 20 5 EFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000279890098 273265610 /nfs/dbraw/zinc/26/56/10/273265610.db2.gz USWRETQNNFBMFY-CQSZACIVSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 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5 EFBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+]1CCOCC1 ZINC000302033340 311173809 /nfs/dbraw/zinc/17/38/09/311173809.db2.gz DBZIDVVHLDOUTQ-UHFFFAOYSA-N 1 2 345.346 2.719 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC3)[nH+]cn1)CC2 ZINC000302894743 311207116 /nfs/dbraw/zinc/20/71/16/311207116.db2.gz OQMBMBXKQFMPGL-UHFFFAOYSA-N 1 2 325.372 2.548 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC3)nc[nH+]1)CC2 ZINC000302894743 311207119 /nfs/dbraw/zinc/20/71/19/311207119.db2.gz OQMBMBXKQFMPGL-UHFFFAOYSA-N 1 2 325.372 2.548 20 5 EFBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330790943 311335314 /nfs/dbraw/zinc/33/53/14/311335314.db2.gz AHCCLDHBNFWSNU-LBPRGKRZSA-N 1 2 325.796 2.739 20 5 EFBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330790943 311335315 /nfs/dbraw/zinc/33/53/15/311335315.db2.gz AHCCLDHBNFWSNU-LBPRGKRZSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330834701 311337535 /nfs/dbraw/zinc/33/75/35/311337535.db2.gz VORZYJXUPJKCFE-UHFFFAOYSA-N 1 2 339.823 2.985 20 5 EFBDLO C[C@@H]1[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1(C)C ZINC000331056529 311351273 /nfs/dbraw/zinc/35/12/73/311351273.db2.gz PYRJOKUMOMEWJC-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H]1[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1(C)C ZINC000331056529 311351275 /nfs/dbraw/zinc/35/12/75/311351275.db2.gz PYRJOKUMOMEWJC-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314172 311367382 /nfs/dbraw/zinc/36/73/82/311367382.db2.gz IDOJEOKITWVNDK-IUODEOHRSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314172 311367383 /nfs/dbraw/zinc/36/73/83/311367383.db2.gz IDOJEOKITWVNDK-IUODEOHRSA-N 1 2 335.404 2.669 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000332411603 311500529 /nfs/dbraw/zinc/50/05/29/311500529.db2.gz ROAVKRCJQZFPRS-UHFFFAOYSA-N 1 2 333.323 2.799 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCOC3)no2)cc1-n1cc[nH+]c1 ZINC000351118252 311854867 /nfs/dbraw/zinc/85/48/67/311854867.db2.gz YUDHPIHHJOOIGM-LBPRGKRZSA-N 1 2 341.327 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1CC1CC1)CCCC2 ZINC000417329210 312209435 /nfs/dbraw/zinc/20/94/35/312209435.db2.gz HLQYPFLNAKRISH-MRXNPFEDSA-N 1 2 342.403 2.549 20 5 EFBDLO CCc1cc(NC[C@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450625683 312723777 /nfs/dbraw/zinc/72/37/77/312723777.db2.gz FQEBVOMZTCAWFO-CYBMUJFWSA-N 1 2 344.415 2.857 20 5 EFBDLO CCc1cc(NC[C@@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450625685 312724017 /nfs/dbraw/zinc/72/40/17/312724017.db2.gz FQEBVOMZTCAWFO-ZDUSSCGKSA-N 1 2 344.415 2.857 20 5 EFBDLO CC[C@@H](O)[C@@H](CC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450862539 312760820 /nfs/dbraw/zinc/76/08/20/312760820.db2.gz QYFXGDIOFMUOBY-HUUCEWRRSA-N 1 2 330.388 2.744 20 5 EFBDLO CCNC(=O)C(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000453605816 312916679 /nfs/dbraw/zinc/91/66/79/312916679.db2.gz PDOBISBXFKTYRB-UHFFFAOYSA-N 1 2 348.428 2.723 20 5 EFBDLO CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458006165 313053172 /nfs/dbraw/zinc/05/31/72/313053172.db2.gz PQBNOXBNJOTAFM-ZIAGYGMSSA-N 1 2 328.372 2.945 20 5 EFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000486933658 313349376 /nfs/dbraw/zinc/34/93/76/313349376.db2.gz GGQVMBDRCYJCMW-ZDUSSCGKSA-N 1 2 336.298 2.502 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000491061078 313701927 /nfs/dbraw/zinc/70/19/27/313701927.db2.gz NCOUQKZQIZSJFY-HJWRWDBZSA-N 1 2 336.351 2.615 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492593278 314050043 /nfs/dbraw/zinc/05/00/43/314050043.db2.gz JXTQLHHVCRNYCS-WAYWQWQTSA-N 1 2 334.763 2.794 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492798699 314129159 /nfs/dbraw/zinc/12/91/59/314129159.db2.gz KKTJQUYBHDSXIC-SGNXQUTQSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492836322 314145553 /nfs/dbraw/zinc/14/55/53/314145553.db2.gz HWGLBDOCRXGDNJ-SOFGYWHQSA-N 1 2 349.350 2.887 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492916302 314175467 /nfs/dbraw/zinc/17/54/67/314175467.db2.gz AONWWPFARFVXGG-SBSDFTTDSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493224110 314283084 /nfs/dbraw/zinc/28/30/84/314283084.db2.gz SCICMWGBPFHXTR-BMWLXYDHSA-N 1 2 326.356 2.737 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493345918 314322875 /nfs/dbraw/zinc/32/28/75/314322875.db2.gz ALTYIUQQDKYMFW-JPVGGKMYSA-N 1 2 332.335 2.841 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000496708594 315165439 /nfs/dbraw/zinc/16/54/39/315165439.db2.gz LQFSSCAWZOATEE-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000521403928 316020865 /nfs/dbraw/zinc/02/08/65/316020865.db2.gz PJHSHGXPSRRYFI-GXTWGEPZSA-N 1 2 349.412 2.911 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)S1 ZINC000525273346 316204338 /nfs/dbraw/zinc/20/43/38/316204338.db2.gz JIOLYPWHYVYDEQ-PHIMTYICSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)S1 ZINC000525273346 316204344 /nfs/dbraw/zinc/20/43/44/316204344.db2.gz JIOLYPWHYVYDEQ-PHIMTYICSA-N 1 2 334.401 2.971 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000527304135 316365840 /nfs/dbraw/zinc/36/58/40/316365840.db2.gz LHBJDXWBYRSTDY-KAMYIIQDSA-N 1 2 329.400 2.552 20 5 EFBDLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000531714095 317303676 /nfs/dbraw/zinc/30/36/76/317303676.db2.gz BBBMYOUKTXCWOA-QMMMGPOBSA-N 1 2 325.166 2.931 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000533070445 317468347 /nfs/dbraw/zinc/46/83/47/317468347.db2.gz QHNQTTBZCCDICX-LSDHHAIUSA-N 1 2 341.358 2.928 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NCc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000552265401 318250779 /nfs/dbraw/zinc/25/07/79/318250779.db2.gz XERHWHHSUCUCTM-MRXNPFEDSA-N 1 2 341.346 2.742 20 5 EFBDLO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000554859721 318338367 /nfs/dbraw/zinc/33/83/67/318338367.db2.gz SBXWBBCEEDDEKG-HNNXBMFYSA-N 1 2 338.404 2.930 20 5 EFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000557657217 318446093 /nfs/dbraw/zinc/44/60/93/318446093.db2.gz JDXYIWVQQFSPMB-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558495902 318472093 /nfs/dbraw/zinc/47/20/93/318472093.db2.gz JOQFSQORWBUACR-HNNXBMFYSA-N 1 2 339.355 2.518 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)S1 ZINC000573654807 319784960 /nfs/dbraw/zinc/78/49/60/319784960.db2.gz IAKNIDNHPKRXOL-RYUDHWBXSA-N 1 2 346.412 2.747 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(O)CCCCC1 ZINC000577837429 320149236 /nfs/dbraw/zinc/14/92/36/320149236.db2.gz VCAXVYMNEWNWJK-UHFFFAOYSA-N 1 2 349.431 2.534 20 5 EFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000578064337 320169584 /nfs/dbraw/zinc/16/95/84/320169584.db2.gz XWTHWVIDDVEFBJ-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000578064337 320169586 /nfs/dbraw/zinc/16/95/86/320169586.db2.gz XWTHWVIDDVEFBJ-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000578195969 320182875 /nfs/dbraw/zinc/18/28/75/320182875.db2.gz TXPGPPFPRQEVLX-GXTWGEPZSA-N 1 2 328.372 2.540 20 5 EFBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000578291242 320190837 /nfs/dbraw/zinc/19/08/37/320190837.db2.gz KICOSWXXNOMDOZ-CABCVRRESA-N 1 2 333.432 2.909 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181282100 323231336 /nfs/dbraw/zinc/23/13/36/323231336.db2.gz FWRADSUPYNJJIP-ZDUSSCGKSA-N 1 2 336.310 2.737 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181282100 323231340 /nfs/dbraw/zinc/23/13/40/323231340.db2.gz FWRADSUPYNJJIP-ZDUSSCGKSA-N 1 2 336.310 2.737 20 5 EFBDLO C[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000182736460 323298848 /nfs/dbraw/zinc/29/88/48/323298848.db2.gz SNADZRKLNOEIQA-LBPRGKRZSA-N 1 2 346.362 2.851 20 5 EFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)Cc1[nH+]ccn1C ZINC000296546998 323550958 /nfs/dbraw/zinc/55/09/58/323550958.db2.gz OIMZAKSKVFJFCP-UHFFFAOYSA-N 1 2 327.344 2.522 20 5 EFBDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580772127 324232123 /nfs/dbraw/zinc/23/21/23/324232123.db2.gz VNSOOWYTLGXNGQ-HNNXBMFYSA-N 1 2 341.415 2.980 20 5 EFBDLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580772127 324232132 /nfs/dbraw/zinc/23/21/32/324232132.db2.gz VNSOOWYTLGXNGQ-HNNXBMFYSA-N 1 2 341.415 2.980 20 5 EFBDLO Cc1ncc(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000582585937 324625018 /nfs/dbraw/zinc/62/50/18/324625018.db2.gz WTYJTPIERJXSCS-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO COc1ccc(C[N@H+](CCO)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000111322572 473207572 /nfs/dbraw/zinc/20/75/72/473207572.db2.gz IJICVCCBHUTFRV-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO COc1ccc(C[N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000111322572 473207576 /nfs/dbraw/zinc/20/75/76/473207576.db2.gz IJICVCCBHUTFRV-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000095456854 473208105 /nfs/dbraw/zinc/20/81/05/473208105.db2.gz BJTJNPNRZQDHOP-CQSZACIVSA-N 1 2 347.371 2.706 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000124135214 473213874 /nfs/dbraw/zinc/21/38/74/473213874.db2.gz SSQKBETXAWOFIS-WBMJQRKESA-N 1 2 328.372 2.823 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000124135037 473214376 /nfs/dbraw/zinc/21/43/76/473214376.db2.gz SSQKBETXAWOFIS-LRDDRELGSA-N 1 2 328.372 2.823 20 5 EFBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000095560773 473223226 /nfs/dbraw/zinc/22/32/26/473223226.db2.gz DRUKAFOOIUONFU-UHFFFAOYSA-N 1 2 339.439 2.998 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000161360656 473230287 /nfs/dbraw/zinc/23/02/87/473230287.db2.gz JDRKRZBZOSWSFC-UHFFFAOYSA-N 1 2 334.401 2.723 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC4(CCCC4)C3)n2)cc1 ZINC000139805300 473238698 /nfs/dbraw/zinc/23/86/98/473238698.db2.gz FOMAEGKZAGEVDX-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC4(CCCC4)C3)n2)cc1 ZINC000139805300 473238702 /nfs/dbraw/zinc/23/87/02/473238702.db2.gz FOMAEGKZAGEVDX-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO C[NH+]1CCN(CCCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074190 473241680 /nfs/dbraw/zinc/24/16/80/473241680.db2.gz DVKYAWQFVZQTGG-UHFFFAOYSA-N 1 2 343.431 2.583 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000184876929 473260327 /nfs/dbraw/zinc/26/03/27/473260327.db2.gz YNUDSUCIWBYKLD-MRXNPFEDSA-N 1 2 344.415 2.909 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000190444092 473276436 /nfs/dbraw/zinc/27/64/36/473276436.db2.gz HKAKQQBGEZUREM-UHFFFAOYSA-N 1 2 349.431 2.559 20 5 EFBDLO CCOCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600784283 468657575 /nfs/dbraw/zinc/65/75/75/468657575.db2.gz ZXZPKOGAEFSZOU-UHFFFAOYSA-N 1 2 331.372 2.988 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000124794700 473305049 /nfs/dbraw/zinc/30/50/49/473305049.db2.gz BZDXLUJZYAQIBS-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000124794700 473305055 /nfs/dbraw/zinc/30/50/55/473305055.db2.gz BZDXLUJZYAQIBS-HNNXBMFYSA-N 1 2 330.340 2.992 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000185039459 473308227 /nfs/dbraw/zinc/30/82/27/473308227.db2.gz VUQJTGOKSHYKKA-NSHDSACASA-N 1 2 334.401 2.673 20 5 EFBDLO CNc1cc2c(nn1)CC[N@@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000611515966 469270716 /nfs/dbraw/zinc/27/07/16/469270716.db2.gz UJYFOVYLDGJPHQ-LBPRGKRZSA-N 1 2 327.388 2.854 20 5 EFBDLO CNc1cc2c(nn1)CC[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000611515966 469270718 /nfs/dbraw/zinc/27/07/18/469270718.db2.gz UJYFOVYLDGJPHQ-LBPRGKRZSA-N 1 2 327.388 2.854 20 5 EFBDLO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112989180 473341590 /nfs/dbraw/zinc/34/15/90/473341590.db2.gz LROPQXSIYIUCID-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112989180 473341595 /nfs/dbraw/zinc/34/15/95/473341595.db2.gz LROPQXSIYIUCID-NSHDSACASA-N 1 2 341.795 2.545 20 5 EFBDLO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C2CCCCC2)no1 ZINC000185228161 473370647 /nfs/dbraw/zinc/37/06/47/473370647.db2.gz FNVXTFKKYNJDMV-LLVKDONJSA-N 1 2 334.380 2.573 20 5 EFBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C2CCCCC2)no1 ZINC000185236069 473372859 /nfs/dbraw/zinc/37/28/59/473372859.db2.gz KTGVKKQNHHIPIN-LLVKDONJSA-N 1 2 334.380 2.573 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000616320048 479879668 /nfs/dbraw/zinc/87/96/68/479879668.db2.gz LPUQOUZOHYIQKB-CQSZACIVSA-N 1 2 344.371 2.586 20 5 EFBDLO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000348138240 475419866 /nfs/dbraw/zinc/41/98/66/475419866.db2.gz HIGAIOLFUMVCSX-CQSZACIVSA-N 1 2 329.360 2.910 20 5 EFBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000433131132 477309610 /nfs/dbraw/zinc/30/96/10/477309610.db2.gz BTBOFJPQURKNFZ-CQSZACIVSA-N 1 2 327.388 2.645 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000007782878 471637153 /nfs/dbraw/zinc/63/71/53/471637153.db2.gz OKWZUXGSNZZQON-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000007782878 471637159 /nfs/dbraw/zinc/63/71/59/471637159.db2.gz OKWZUXGSNZZQON-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000009996289 471725451 /nfs/dbraw/zinc/72/54/51/471725451.db2.gz FDODAXAJXCAJKC-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000009996289 471725455 /nfs/dbraw/zinc/72/54/55/471725455.db2.gz FDODAXAJXCAJKC-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000010737085 471741612 /nfs/dbraw/zinc/74/16/12/471741612.db2.gz ADGHYIJCGWARCW-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012666172 471788609 /nfs/dbraw/zinc/78/86/09/471788609.db2.gz UKDSKFFFJUKPIY-UHFFFAOYSA-N 1 2 344.758 2.868 20 5 EFBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000021674446 472003546 /nfs/dbraw/zinc/00/35/46/472003546.db2.gz UBYUNLZWBQPFEF-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000038415425 472019342 /nfs/dbraw/zinc/01/93/42/472019342.db2.gz UMJOZXBYGGZHOR-UTUOFQBUSA-N 1 2 332.360 2.815 20 5 EFBDLO O=C1[C@H]([N@@H+]2CCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376268 472026073 /nfs/dbraw/zinc/02/60/73/472026073.db2.gz VDQLWNDPZTWVHO-OAHLLOKOSA-N 1 2 343.408 2.820 20 5 EFBDLO O=C1[C@H]([N@H+]2CCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376268 472026079 /nfs/dbraw/zinc/02/60/79/472026079.db2.gz VDQLWNDPZTWVHO-OAHLLOKOSA-N 1 2 343.408 2.820 20 5 EFBDLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000023606983 472036071 /nfs/dbraw/zinc/03/60/71/472036071.db2.gz BSOQFQFBMWTNMW-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000023606983 472036072 /nfs/dbraw/zinc/03/60/72/472036072.db2.gz BSOQFQFBMWTNMW-UHFFFAOYSA-N 1 2 332.385 2.600 20 5 EFBDLO O=[N+]([O-])c1c(NCCc2cn3ccccc3[nH+]2)nc2sccn21 ZINC000023618080 472036175 /nfs/dbraw/zinc/03/61/75/472036175.db2.gz FVPCMMGKAXWSAF-UHFFFAOYSA-N 1 2 328.357 2.606 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054167590 472064196 /nfs/dbraw/zinc/06/41/96/472064196.db2.gz XWALOVWHNBBISA-UHFFFAOYSA-N 1 2 338.367 2.612 20 5 EFBDLO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389388 472083904 /nfs/dbraw/zinc/08/39/04/472083904.db2.gz UXFCVIXVOXGZFJ-BETUJISGSA-N 1 2 328.372 2.974 20 5 EFBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCCC1 ZINC000025443941 472096900 /nfs/dbraw/zinc/09/69/00/472096900.db2.gz MOFZWKHCVMERTQ-UHFFFAOYSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000026346174 472132924 /nfs/dbraw/zinc/13/29/24/472132924.db2.gz KIYSZQIBHKKLTG-FMKPAKJESA-N 1 2 333.432 2.968 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000026346174 472132928 /nfs/dbraw/zinc/13/29/28/472132928.db2.gz KIYSZQIBHKKLTG-FMKPAKJESA-N 1 2 333.432 2.968 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552756 472155677 /nfs/dbraw/zinc/15/56/77/472155677.db2.gz JVIGMSZZDXAFOU-ZDUSSCGKSA-N 1 2 343.387 2.526 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554261 472156687 /nfs/dbraw/zinc/15/66/87/472156687.db2.gz MRAZPZGWMAOPNA-JTQLQIEISA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000075591936 472164108 /nfs/dbraw/zinc/16/41/08/472164108.db2.gz YDEFLVQRXGEWOL-AWEZNQCLSA-N 1 2 330.388 2.770 20 5 EFBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027371826 472174360 /nfs/dbraw/zinc/17/43/60/472174360.db2.gz OLPWNQSFVYGDBK-JTQLQIEISA-N 1 2 331.397 2.875 20 5 EFBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027371826 472174364 /nfs/dbraw/zinc/17/43/64/472174364.db2.gz OLPWNQSFVYGDBK-JTQLQIEISA-N 1 2 331.397 2.875 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC(C)(C)C1 ZINC000075701201 472185434 /nfs/dbraw/zinc/18/54/34/472185434.db2.gz OFIAJEZUVXJTIL-NSHDSACASA-N 1 2 332.360 2.817 20 5 EFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC(C)(C)C1 ZINC000075701201 472185440 /nfs/dbraw/zinc/18/54/40/472185440.db2.gz OFIAJEZUVXJTIL-NSHDSACASA-N 1 2 332.360 2.817 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000043148991 472205881 /nfs/dbraw/zinc/20/58/81/472205881.db2.gz DLDBGFPBTXAGGD-UHFFFAOYSA-N 1 2 339.355 2.915 20 5 EFBDLO CNc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068569711 472213841 /nfs/dbraw/zinc/21/38/41/472213841.db2.gz YCNXRIVMEKIEMP-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000055816121 472242045 /nfs/dbraw/zinc/24/20/45/472242045.db2.gz PNSSEMBVEUZBJH-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000055816006 472242526 /nfs/dbraw/zinc/24/25/26/472242526.db2.gz ABXNTIKQGQYVFR-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO CC[NH+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029914278 472304957 /nfs/dbraw/zinc/30/49/57/472304957.db2.gz FIJRFBLATQCYAH-UHFFFAOYSA-N 1 2 348.281 2.664 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000044535738 472314081 /nfs/dbraw/zinc/31/40/81/472314081.db2.gz JLNSCTHHPXVHRO-OAHLLOKOSA-N 1 2 349.434 2.839 20 5 EFBDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000030589178 472341546 /nfs/dbraw/zinc/34/15/46/472341546.db2.gz HJWDMFVEILQUBQ-UHFFFAOYSA-N 1 2 346.431 2.755 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000030912124 472354288 /nfs/dbraw/zinc/35/42/88/472354288.db2.gz YBYKHWRMQSKEGI-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000031312961 472373390 /nfs/dbraw/zinc/37/33/90/472373390.db2.gz RDPIYBADUYBHAW-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000088599674 472374746 /nfs/dbraw/zinc/37/47/46/472374746.db2.gz GRQASWKXKUOYCD-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000088599674 472374750 /nfs/dbraw/zinc/37/47/50/472374750.db2.gz GRQASWKXKUOYCD-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606332 472377263 /nfs/dbraw/zinc/37/72/63/472377263.db2.gz AAESAEDCPZAQSQ-GFCCVEGCSA-N 1 2 345.424 2.719 20 5 EFBDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606332 472377267 /nfs/dbraw/zinc/37/72/67/472377267.db2.gz AAESAEDCPZAQSQ-GFCCVEGCSA-N 1 2 345.424 2.719 20 5 EFBDLO O=[N+]([O-])c1c(F)cccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000057137966 472385075 /nfs/dbraw/zinc/38/50/75/472385075.db2.gz VRNHZBXITRFWOR-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EFBDLO COCCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032165026 472416272 /nfs/dbraw/zinc/41/62/72/472416272.db2.gz JKCBOWPSCDANGH-UHFFFAOYSA-N 1 2 346.387 2.525 20 5 EFBDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154336374 472419282 /nfs/dbraw/zinc/41/92/82/472419282.db2.gz TWRGTYSBUXEJCH-SJORKVTESA-N 1 2 346.383 2.857 20 5 EFBDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000154336374 472419288 /nfs/dbraw/zinc/41/92/88/472419288.db2.gz TWRGTYSBUXEJCH-SJORKVTESA-N 1 2 346.383 2.857 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154372455 472424086 /nfs/dbraw/zinc/42/40/86/472424086.db2.gz SREQHIJUKVTWQL-GFCCVEGCSA-N 1 2 344.371 2.961 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC2(CCC2)C1 ZINC000154372455 472424091 /nfs/dbraw/zinc/42/40/91/472424091.db2.gz SREQHIJUKVTWQL-GFCCVEGCSA-N 1 2 344.371 2.961 20 5 EFBDLO CC(=O)[C@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)C ZINC000154409317 472429265 /nfs/dbraw/zinc/42/92/65/472429265.db2.gz RYXHZUVFHKARFP-GOSISDBHSA-N 1 2 349.431 2.535 20 5 EFBDLO CC(=O)[C@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)C ZINC000154409317 472429268 /nfs/dbraw/zinc/42/92/68/472429268.db2.gz RYXHZUVFHKARFP-GOSISDBHSA-N 1 2 349.431 2.535 20 5 EFBDLO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000128484729 472457745 /nfs/dbraw/zinc/45/77/45/472457745.db2.gz BGLCOGLFNCWSRD-WBMJQRKESA-N 1 2 346.362 2.583 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077170993 472464539 /nfs/dbraw/zinc/46/45/39/472464539.db2.gz GESITQISUJDWTH-QGZVFWFLSA-N 1 2 340.383 2.649 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077170993 472464546 /nfs/dbraw/zinc/46/45/46/472464546.db2.gz GESITQISUJDWTH-QGZVFWFLSA-N 1 2 340.383 2.649 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000057844352 472483716 /nfs/dbraw/zinc/48/37/16/472483716.db2.gz YVDSXDQOJZSMCM-UHFFFAOYSA-N 1 2 328.294 2.986 20 5 EFBDLO Cc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000154992463 472494280 /nfs/dbraw/zinc/49/42/80/472494280.db2.gz MZSYRZVDMQPYDD-MRXNPFEDSA-N 1 2 348.424 2.779 20 5 EFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000097600387 472501079 /nfs/dbraw/zinc/50/10/79/472501079.db2.gz XTUZZGFIQGIYKI-JTQLQIEISA-N 1 2 340.836 2.862 20 5 EFBDLO O=C(OC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070668412 472501543 /nfs/dbraw/zinc/50/15/43/472501543.db2.gz DEWCBKKTTSXPSW-ZDUSSCGKSA-N 1 2 331.328 2.506 20 5 EFBDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118835997 472509826 /nfs/dbraw/zinc/50/98/26/472509826.db2.gz PJBHTOKXAOVDRQ-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070828292 472515520 /nfs/dbraw/zinc/51/55/20/472515520.db2.gz DZVHNRPVWJTNGT-UHFFFAOYSA-N 1 2 347.415 2.639 20 5 EFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118958339 472516371 /nfs/dbraw/zinc/51/63/71/472516371.db2.gz QUEVNEXGAKHJME-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118958339 472516378 /nfs/dbraw/zinc/51/63/78/472516378.db2.gz QUEVNEXGAKHJME-UHFFFAOYSA-N 1 2 339.823 2.939 20 5 EFBDLO CN(Cc1[nH+]ccn1C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000058340802 472549994 /nfs/dbraw/zinc/54/99/94/472549994.db2.gz SZTTWVCFTVKMPV-UHFFFAOYSA-N 1 2 325.166 2.727 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000119374073 472550676 /nfs/dbraw/zinc/55/06/76/472550676.db2.gz OBFSLYHTSMTRSI-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000119374073 472550681 /nfs/dbraw/zinc/55/06/81/472550681.db2.gz OBFSLYHTSMTRSI-UHFFFAOYSA-N 1 2 326.780 2.630 20 5 EFBDLO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000089989301 472572071 /nfs/dbraw/zinc/57/20/71/472572071.db2.gz UGUVOMFQZIWEFD-UHFFFAOYSA-N 1 2 340.343 2.643 20 5 EFBDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599697 472575204 /nfs/dbraw/zinc/57/52/04/472575204.db2.gz BXDQTXFMBLVWGI-CYBMUJFWSA-N 1 2 345.374 2.871 20 5 EFBDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599697 472575207 /nfs/dbraw/zinc/57/52/07/472575207.db2.gz BXDQTXFMBLVWGI-CYBMUJFWSA-N 1 2 345.374 2.871 20 5 EFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058854983 472606894 /nfs/dbraw/zinc/60/68/94/472606894.db2.gz MHTWZZJMETYWGW-UHFFFAOYSA-N 1 2 335.323 2.654 20 5 EFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000060059489 472633907 /nfs/dbraw/zinc/63/39/07/472633907.db2.gz KVXOIKPKFOYXFN-UHFFFAOYSA-N 1 2 341.367 2.679 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(F)c1 ZINC000060377997 472650311 /nfs/dbraw/zinc/65/03/11/472650311.db2.gz KCDPIRCLGFVJRG-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131466812 472672783 /nfs/dbraw/zinc/67/27/83/472672783.db2.gz XPTAEAIKKWUFNZ-QLFBSQMISA-N 1 2 345.443 2.846 20 5 EFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131466812 472672786 /nfs/dbraw/zinc/67/27/86/472672786.db2.gz XPTAEAIKKWUFNZ-QLFBSQMISA-N 1 2 345.443 2.846 20 5 EFBDLO Cc1nn(C)c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000047331236 472691640 /nfs/dbraw/zinc/69/16/40/472691640.db2.gz GGSSZYFICSPKGH-UHFFFAOYSA-N 1 2 340.387 2.897 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccnc3Cl)C2)nc1 ZINC000072664920 472697210 /nfs/dbraw/zinc/69/72/10/472697210.db2.gz HVEKLNZMPJXTPW-LBPRGKRZSA-N 1 2 333.779 2.725 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccnc3Cl)C2)nc1 ZINC000072664920 472697216 /nfs/dbraw/zinc/69/72/16/472697216.db2.gz HVEKLNZMPJXTPW-LBPRGKRZSA-N 1 2 333.779 2.725 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131862261 472698236 /nfs/dbraw/zinc/69/82/36/472698236.db2.gz XKRDTEIQGUEADY-UHFFFAOYSA-N 1 2 342.330 2.822 20 5 EFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000047417634 472706926 /nfs/dbraw/zinc/70/69/26/472706926.db2.gz BMAIEGVJRGPAME-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO CC[C@H](CSC)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091149862 472714457 /nfs/dbraw/zinc/71/44/57/472714457.db2.gz PRFXBUAJZVDKHO-CYBMUJFWSA-N 1 2 348.428 2.994 20 5 EFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000121197898 472814748 /nfs/dbraw/zinc/81/47/48/472814748.db2.gz ZWPSWADHWBQTLX-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000121197898 472814752 /nfs/dbraw/zinc/81/47/52/472814752.db2.gz ZWPSWADHWBQTLX-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO CC(C)[N@H+](CC(=O)Nc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350071 472846550 /nfs/dbraw/zinc/84/65/50/472846550.db2.gz OSFKSFANNHWJCB-UHFFFAOYSA-N 1 2 334.401 2.900 20 5 EFBDLO CC(C)[N@@H+](CC(=O)Nc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350071 472846556 /nfs/dbraw/zinc/84/65/56/472846556.db2.gz OSFKSFANNHWJCB-UHFFFAOYSA-N 1 2 334.401 2.900 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC000121401406 472846840 /nfs/dbraw/zinc/84/68/40/472846840.db2.gz AUIYACMTRNICTR-ZDUSSCGKSA-N 1 2 343.387 2.530 20 5 EFBDLO CCc1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000092047780 472847465 /nfs/dbraw/zinc/84/74/65/472847465.db2.gz CGEXMZHFJOQRKD-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000092102848 472860786 /nfs/dbraw/zinc/86/07/86/472860786.db2.gz FSLPSZFHOUOYQS-GFCCVEGCSA-N 1 2 331.338 2.972 20 5 EFBDLO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000092102848 472860790 /nfs/dbraw/zinc/86/07/90/472860790.db2.gz FSLPSZFHOUOYQS-GFCCVEGCSA-N 1 2 331.338 2.972 20 5 EFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000048373276 472869312 /nfs/dbraw/zinc/86/93/12/472869312.db2.gz YLBBUMPGWHDBHT-UHFFFAOYSA-N 1 2 330.344 2.503 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000092550101 472934882 /nfs/dbraw/zinc/93/48/82/472934882.db2.gz XNZXJQQCCCKQHU-LBPRGKRZSA-N 1 2 333.388 2.894 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000092550101 472934888 /nfs/dbraw/zinc/93/48/88/472934888.db2.gz XNZXJQQCCCKQHU-LBPRGKRZSA-N 1 2 333.388 2.894 20 5 EFBDLO C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000079878009 472936136 /nfs/dbraw/zinc/93/61/36/472936136.db2.gz VKODHKUOSSGVMJ-LBPRGKRZSA-N 1 2 339.355 2.803 20 5 EFBDLO CCOc1cc(C(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000107291929 472939316 /nfs/dbraw/zinc/93/93/16/472939316.db2.gz GLLIAJBAVFDIDM-UHFFFAOYSA-N 1 2 331.328 2.958 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)O1 ZINC000065427141 472939924 /nfs/dbraw/zinc/93/99/24/472939924.db2.gz PSXALMGGGKJHPB-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)O1 ZINC000065427141 472939930 /nfs/dbraw/zinc/93/99/30/472939930.db2.gz PSXALMGGGKJHPB-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000080040001 472965660 /nfs/dbraw/zinc/96/56/60/472965660.db2.gz INDMPZRFZHXPST-UHFFFAOYSA-N 1 2 349.431 2.788 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065732736 473003941 /nfs/dbraw/zinc/00/39/41/473003941.db2.gz HPMOONAEQFYKTK-UHFFFAOYSA-N 1 2 339.355 2.649 20 5 EFBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122397599 473009793 /nfs/dbraw/zinc/00/97/93/473009793.db2.gz KYZHTDJNMAYGMB-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122397599 473009801 /nfs/dbraw/zinc/00/98/01/473009801.db2.gz KYZHTDJNMAYGMB-UHFFFAOYSA-N 1 2 325.796 2.693 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093054965 473034567 /nfs/dbraw/zinc/03/45/67/473034567.db2.gz FZVRMNFOQAMWRJ-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093054965 473034573 /nfs/dbraw/zinc/03/45/73/473034573.db2.gz FZVRMNFOQAMWRJ-KRWDZBQOSA-N 1 2 343.383 2.811 20 5 EFBDLO NC(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135225932 473039159 /nfs/dbraw/zinc/03/91/59/473039159.db2.gz JLNFAIGKCDQJQA-UHFFFAOYSA-N 1 2 325.368 2.858 20 5 EFBDLO NC(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135225932 473039169 /nfs/dbraw/zinc/03/91/69/473039169.db2.gz JLNFAIGKCDQJQA-UHFFFAOYSA-N 1 2 325.368 2.858 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122625196 473039569 /nfs/dbraw/zinc/03/95/69/473039569.db2.gz RVOUMNZCXMLFAM-SNVBAGLBSA-N 1 2 334.825 2.503 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122625196 473039576 /nfs/dbraw/zinc/03/95/76/473039576.db2.gz RVOUMNZCXMLFAM-SNVBAGLBSA-N 1 2 334.825 2.503 20 5 EFBDLO Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074727224 473052585 /nfs/dbraw/zinc/05/25/85/473052585.db2.gz WGXPPYPMEOLMKG-INIZCTEOSA-N 1 2 342.399 2.784 20 5 EFBDLO COc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000122768359 473056643 /nfs/dbraw/zinc/05/66/43/473056643.db2.gz UKIDGNKBGDNXGD-SWLSCSKDSA-N 1 2 344.371 2.523 20 5 EFBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093227858 473065061 /nfs/dbraw/zinc/06/50/61/473065061.db2.gz IJMZLTOMQCIIQA-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093227858 473065065 /nfs/dbraw/zinc/06/50/65/473065065.db2.gz IJMZLTOMQCIIQA-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO COC(=O)C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C 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ZINC000081018899 473131445 /nfs/dbraw/zinc/13/14/45/473131445.db2.gz VEKFOACMMMTEMS-UHFFFAOYSA-N 1 2 341.411 2.927 20 5 EFBDLO Cc1c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cccc1[N+](=O)[O-] ZINC000081018899 473131451 /nfs/dbraw/zinc/13/14/51/473131451.db2.gz VEKFOACMMMTEMS-UHFFFAOYSA-N 1 2 341.411 2.927 20 5 EFBDLO CCc1[nH]nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000109895442 473133656 /nfs/dbraw/zinc/13/36/56/473133656.db2.gz YGVOPHVRACRXGK-UHFFFAOYSA-N 1 2 340.343 2.627 20 5 EFBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926877 473164310 /nfs/dbraw/zinc/16/43/10/473164310.db2.gz SBZNFMFXEGOVJF-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO O=C(C1CCCCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066865863 473166405 /nfs/dbraw/zinc/16/64/05/473166405.db2.gz JICQXAXMOJOIMR-UHFFFAOYSA-N 1 2 345.443 2.862 20 5 EFBDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000053144377 473187510 /nfs/dbraw/zinc/18/75/10/473187510.db2.gz SLDQWZLRLWGREO-HNNXBMFYSA-N 1 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ZINC000170593227 473558931 /nfs/dbraw/zinc/55/89/31/473558931.db2.gz RURJYHPDAPNWDI-UHFFFAOYSA-N 1 2 325.328 2.624 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000152637821 473584982 /nfs/dbraw/zinc/58/49/82/473584982.db2.gz PWSXLHNMJSXUNS-UHFFFAOYSA-N 1 2 335.385 2.822 20 5 EFBDLO C[C@H]1SCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000172356687 473588923 /nfs/dbraw/zinc/58/89/23/473588923.db2.gz IDFFTWASDYHUKK-VXGBXAGGSA-N 1 2 346.412 2.747 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)c1 ZINC000186191605 473611332 /nfs/dbraw/zinc/61/13/32/473611332.db2.gz VNBUCQGUENQVKI-UHFFFAOYSA-N 1 2 331.347 2.762 20 5 EFBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000153729644 473638760 /nfs/dbraw/zinc/63/87/60/473638760.db2.gz GNEHTJQJTMKZHA-KRWDZBQOSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000153729644 473638766 /nfs/dbraw/zinc/63/87/66/473638766.db2.gz GNEHTJQJTMKZHA-KRWDZBQOSA-N 1 2 343.383 2.507 20 5 EFBDLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000170899214 473643289 /nfs/dbraw/zinc/64/32/89/473643289.db2.gz VJEBSBZPMHTOBY-ZDUSSCGKSA-N 1 2 343.387 2.899 20 5 EFBDLO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000153916555 473650980 /nfs/dbraw/zinc/65/09/80/473650980.db2.gz FWLDGPTZCDFKEK-SNVBAGLBSA-N 1 2 334.825 2.503 20 5 EFBDLO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000153916555 473650990 /nfs/dbraw/zinc/65/09/90/473650990.db2.gz FWLDGPTZCDFKEK-SNVBAGLBSA-N 1 2 334.825 2.503 20 5 EFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192301051 473666047 /nfs/dbraw/zinc/66/60/47/473666047.db2.gz KNHWRETXENUHNW-UHFFFAOYSA-N 1 2 349.337 2.699 20 5 EFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192301051 473666052 /nfs/dbraw/zinc/66/60/52/473666052.db2.gz KNHWRETXENUHNW-UHFFFAOYSA-N 1 2 349.337 2.699 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186477320 473679865 /nfs/dbraw/zinc/67/98/65/473679865.db2.gz OIONZOXLYMBHHJ-YVEFUNNKSA-N 1 2 343.383 2.722 20 5 EFBDLO CC(C)N1CCC[C@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000192695459 473707176 /nfs/dbraw/zinc/70/71/76/473707176.db2.gz FPQPFPLJNACSLN-KRWDZBQOSA-N 1 2 331.416 2.959 20 5 EFBDLO CC(C)N1CCC[C@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000192695459 473707181 /nfs/dbraw/zinc/70/71/81/473707181.db2.gz FPQPFPLJNACSLN-KRWDZBQOSA-N 1 2 331.416 2.959 20 5 EFBDLO CC(C)c1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245792851 473748735 /nfs/dbraw/zinc/74/87/35/473748735.db2.gz WNJFELGFAQEBNW-OLZOCXBDSA-N 1 2 342.461 2.972 20 5 EFBDLO CC(C)c1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000245792851 473748740 /nfs/dbraw/zinc/74/87/40/473748740.db2.gz WNJFELGFAQEBNW-OLZOCXBDSA-N 1 2 342.461 2.972 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281728813 473821307 /nfs/dbraw/zinc/82/13/07/473821307.db2.gz ISZPEAAEDDXZRK-OAHLLOKOSA-N 1 2 344.371 2.884 20 5 EFBDLO O=C(CCc1c[nH+]c[nH]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000281769010 473832058 /nfs/dbraw/zinc/83/20/58/473832058.db2.gz IBIFGMCDEUOIQT-UHFFFAOYSA-N 1 2 342.277 2.586 20 5 EFBDLO O=C(CCc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000281769010 473832064 /nfs/dbraw/zinc/83/20/64/473832064.db2.gz IBIFGMCDEUOIQT-UHFFFAOYSA-N 1 2 342.277 2.586 20 5 EFBDLO Cc1c(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000269591764 473841691 /nfs/dbraw/zinc/84/16/91/473841691.db2.gz CNCLDLRXYGOTTH-AWEZNQCLSA-N 1 2 328.372 2.575 20 5 EFBDLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC000194175431 473854932 /nfs/dbraw/zinc/85/49/32/473854932.db2.gz JMHOAFZCNDELSB-UHFFFAOYSA-N 1 2 325.372 2.817 20 5 EFBDLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC000194175431 473854937 /nfs/dbraw/zinc/85/49/37/473854937.db2.gz JMHOAFZCNDELSB-UHFFFAOYSA-N 1 2 325.372 2.817 20 5 EFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000281976789 473904921 /nfs/dbraw/zinc/90/49/21/473904921.db2.gz YXXLCWDCDNLTLH-OAHLLOKOSA-N 1 2 343.387 2.761 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263943692 473913390 /nfs/dbraw/zinc/91/33/90/473913390.db2.gz KEFYINKVJXLABR-GPAKFWEMSA-N 1 2 326.356 2.737 20 5 EFBDLO CC(C)OCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180616901 473921176 /nfs/dbraw/zinc/92/11/76/473921176.db2.gz JAPFVNHXOARCLK-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000194601657 473923670 /nfs/dbraw/zinc/92/36/70/473923670.db2.gz ACKTZBIMEVCRAE-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264490122 474011624 /nfs/dbraw/zinc/01/16/24/474011624.db2.gz SKEXHNAPDJVRJK-QGZVFWFLSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264490122 474011629 /nfs/dbraw/zinc/01/16/29/474011629.db2.gz SKEXHNAPDJVRJK-QGZVFWFLSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1csc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)n1 ZINC000181592281 474050319 /nfs/dbraw/zinc/05/03/19/474050319.db2.gz PCPYXELGHPGYSS-AWEZNQCLSA-N 1 2 346.412 2.700 20 5 EFBDLO C[C@@H](c1ccco1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181606018 474052346 /nfs/dbraw/zinc/05/23/46/474052346.db2.gz XYYHZIAPVBSSGU-LBPRGKRZSA-N 1 2 338.385 2.655 20 5 EFBDLO C[C@@H](c1ccco1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181606018 474052351 /nfs/dbraw/zinc/05/23/51/474052351.db2.gz XYYHZIAPVBSSGU-LBPRGKRZSA-N 1 2 338.385 2.655 20 5 EFBDLO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181885712 474068100 /nfs/dbraw/zinc/06/81/00/474068100.db2.gz OBPCCAWQBJOGRB-ZDUSSCGKSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181885712 474068104 /nfs/dbraw/zinc/06/81/04/474068104.db2.gz OBPCCAWQBJOGRB-ZDUSSCGKSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCc2occc2C1 ZINC000288847531 474069950 /nfs/dbraw/zinc/06/99/50/474069950.db2.gz PATMJMSATKMLFG-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCc2occc2C1 ZINC000288847531 474069955 /nfs/dbraw/zinc/06/99/55/474069955.db2.gz PATMJMSATKMLFG-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO CCOc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000195506893 474086002 /nfs/dbraw/zinc/08/60/02/474086002.db2.gz FCQZNWPBISMFNQ-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c2cccnc21 ZINC000196204726 474104151 /nfs/dbraw/zinc/10/41/51/474104151.db2.gz KIIZZICRNBJQEC-UHFFFAOYSA-N 1 2 335.367 2.865 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264766567 474120140 /nfs/dbraw/zinc/12/01/40/474120140.db2.gz FJXANAOVTBMJEL-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264766567 474120146 /nfs/dbraw/zinc/12/01/46/474120146.db2.gz FJXANAOVTBMJEL-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO CCc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000264772371 474122819 /nfs/dbraw/zinc/12/28/19/474122819.db2.gz PMKNVHIDGNREDX-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO CCOC(=O)c1ccnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000174995909 474129167 /nfs/dbraw/zinc/12/91/67/474129167.db2.gz SFANCRXOIUCVNI-GFCCVEGCSA-N 1 2 345.359 2.621 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000265360614 474188974 /nfs/dbraw/zinc/18/89/74/474188974.db2.gz MGLWOOFLCMYTKL-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O ZINC000289288547 474209480 /nfs/dbraw/zinc/20/94/80/474209480.db2.gz ABUDIYNUMJUBFR-LLVKDONJSA-N 1 2 332.187 2.564 20 5 EFBDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O ZINC000289288547 474209490 /nfs/dbraw/zinc/20/94/90/474209490.db2.gz ABUDIYNUMJUBFR-LLVKDONJSA-N 1 2 332.187 2.564 20 5 EFBDLO Cc1cc(N2CC[C@H](O)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275535116 474225813 /nfs/dbraw/zinc/22/58/13/474225813.db2.gz YTMBCXSPUAUQAW-HNNXBMFYSA-N 1 2 342.399 2.957 20 5 EFBDLO CC(C)[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1[nH]cc[nH+]1 ZINC000282982382 474263185 /nfs/dbraw/zinc/26/31/85/474263185.db2.gz KLWSJDOKVBQITI-CYBMUJFWSA-N 1 2 327.344 2.926 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289640533 474357843 /nfs/dbraw/zinc/35/78/43/474357843.db2.gz FOTPPWBSNZLVHW-HUUCEWRRSA-N 1 2 335.360 2.892 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289640533 474357848 /nfs/dbraw/zinc/35/78/48/474357848.db2.gz FOTPPWBSNZLVHW-HUUCEWRRSA-N 1 2 335.360 2.892 20 5 EFBDLO Cc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271164531 474415167 /nfs/dbraw/zinc/41/51/67/474415167.db2.gz BVEYSPXDSATVQL-UHFFFAOYSA-N 1 2 348.424 2.939 20 5 EFBDLO Cc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271164531 474415172 /nfs/dbraw/zinc/41/51/72/474415172.db2.gz BVEYSPXDSATVQL-UHFFFAOYSA-N 1 2 348.424 2.939 20 5 EFBDLO CC(=O)c1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000283533346 474428651 /nfs/dbraw/zinc/42/86/51/474428651.db2.gz LGZUEADSTVNIRP-KRWDZBQOSA-N 1 2 335.404 2.566 20 5 EFBDLO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266547813 474435707 /nfs/dbraw/zinc/43/57/07/474435707.db2.gz SEDMNZMSAZZAIG-OLZOCXBDSA-N 1 2 345.403 2.726 20 5 EFBDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000248863947 474462690 /nfs/dbraw/zinc/46/26/90/474462690.db2.gz AMONAIBEXMFIOF-DYVFJYSZSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000248863947 474462695 /nfs/dbraw/zinc/46/26/95/474462695.db2.gz AMONAIBEXMFIOF-DYVFJYSZSA-N 1 2 335.404 2.731 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000276272160 474476232 /nfs/dbraw/zinc/47/62/32/474476232.db2.gz CYSVQYYTVFVACG-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000276272160 474476236 /nfs/dbraw/zinc/47/62/36/474476236.db2.gz CYSVQYYTVFVACG-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184265381 474493208 /nfs/dbraw/zinc/49/32/08/474493208.db2.gz GVXJOGBPVXNARX-KRWDZBQOSA-N 1 2 346.358 2.834 20 5 EFBDLO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184265381 474493215 /nfs/dbraw/zinc/49/32/15/474493215.db2.gz GVXJOGBPVXNARX-KRWDZBQOSA-N 1 2 346.358 2.834 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289949439 474498875 /nfs/dbraw/zinc/49/88/75/474498875.db2.gz VXSAKCWHXRDKNL-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289949439 474498880 /nfs/dbraw/zinc/49/88/80/474498880.db2.gz VXSAKCWHXRDKNL-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289947144 474498934 /nfs/dbraw/zinc/49/89/34/474498934.db2.gz VVGGVWXSWBMLAW-QWRGUYRKSA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289947144 474498937 /nfs/dbraw/zinc/49/89/37/474498937.db2.gz VVGGVWXSWBMLAW-QWRGUYRKSA-N 1 2 327.331 2.899 20 5 EFBDLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000613779317 480109990 /nfs/dbraw/zinc/10/99/90/480109990.db2.gz VERZPUAKWHQGCY-AWEZNQCLSA-N 1 2 329.360 2.969 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000284046382 474559267 /nfs/dbraw/zinc/55/92/67/474559267.db2.gz QBOLPUKERNRYMK-GFCCVEGCSA-N 1 2 344.371 2.736 20 5 EFBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184664728 474577950 /nfs/dbraw/zinc/57/79/50/474577950.db2.gz HIZQOFTWURHIAH-OCCSQVGLSA-N 1 2 347.371 2.801 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCS(=O)(=O)C1 ZINC000284133920 474580259 /nfs/dbraw/zinc/58/02/59/474580259.db2.gz OIHRYVYTPUBPDW-LLVKDONJSA-N 1 2 346.836 2.505 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCS(=O)(=O)C1 ZINC000284133920 474580262 /nfs/dbraw/zinc/58/02/62/474580262.db2.gz OIHRYVYTPUBPDW-LLVKDONJSA-N 1 2 346.836 2.505 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723543 474606896 /nfs/dbraw/zinc/60/68/96/474606896.db2.gz OERMPYGFMBYVMF-DZKIICNBSA-N 1 2 348.399 2.910 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000249723543 474606898 /nfs/dbraw/zinc/60/68/98/474606898.db2.gz OERMPYGFMBYVMF-DZKIICNBSA-N 1 2 348.399 2.910 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131627 480115148 /nfs/dbraw/zinc/11/51/48/480115148.db2.gz UOMNDEUNNGRTQS-LBPRGKRZSA-N 1 2 334.763 2.922 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000284275846 474608400 /nfs/dbraw/zinc/60/84/00/474608400.db2.gz XQIXLTVURPQABW-INIZCTEOSA-N 1 2 331.328 2.668 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000284275846 474608404 /nfs/dbraw/zinc/60/84/04/474608404.db2.gz XQIXLTVURPQABW-INIZCTEOSA-N 1 2 331.328 2.668 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000250039409 474627033 /nfs/dbraw/zinc/62/70/33/474627033.db2.gz CJMSOQLGNUBPNE-YPMHNXCESA-N 1 2 335.404 2.730 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000250039409 474627036 /nfs/dbraw/zinc/62/70/36/474627036.db2.gz CJMSOQLGNUBPNE-YPMHNXCESA-N 1 2 335.404 2.730 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000272866968 474629431 /nfs/dbraw/zinc/62/94/31/474629431.db2.gz SZKNNQFWDZTUDF-NSHDSACASA-N 1 2 345.359 2.738 20 5 EFBDLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267352579 474655702 /nfs/dbraw/zinc/65/57/02/474655702.db2.gz GCCRZYKRMZIBKC-CQSZACIVSA-N 1 2 340.383 2.509 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000267890244 474697296 /nfs/dbraw/zinc/69/72/96/474697296.db2.gz HHPABLQIGXFORW-HOTGVXAUSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000267890244 474697302 /nfs/dbraw/zinc/69/73/02/474697302.db2.gz HHPABLQIGXFORW-HOTGVXAUSA-N 1 2 348.424 2.981 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1Cc1ccccc1 ZINC000284639795 474702229 /nfs/dbraw/zinc/70/22/29/474702229.db2.gz KGLOZMHXJMHLAQ-CQSZACIVSA-N 1 2 345.424 2.655 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1Cc1ccccc1 ZINC000284639795 474702234 /nfs/dbraw/zinc/70/22/34/474702234.db2.gz KGLOZMHXJMHLAQ-CQSZACIVSA-N 1 2 345.424 2.655 20 5 EFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cncs1 ZINC000338900646 474714368 /nfs/dbraw/zinc/71/43/68/474714368.db2.gz JSXRGBSDESELJU-SNVBAGLBSA-N 1 2 343.368 2.728 20 5 EFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cncs1 ZINC000338900645 474714874 /nfs/dbraw/zinc/71/48/74/474714874.db2.gz JSXRGBSDESELJU-JTQLQIEISA-N 1 2 343.368 2.728 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000267994322 474741930 /nfs/dbraw/zinc/74/19/30/474741930.db2.gz SDGQVOSXGGZJEI-UHFFFAOYSA-N 1 2 343.387 2.994 20 5 EFBDLO COc1cc2c(cc1Cl)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000293031085 474775743 /nfs/dbraw/zinc/77/57/43/474775743.db2.gz GEIVARWCIMSUSJ-UHFFFAOYSA-N 1 2 336.779 2.512 20 5 EFBDLO COc1cc2c(cc1Cl)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000293031085 474775751 /nfs/dbraw/zinc/77/57/51/474775751.db2.gz GEIVARWCIMSUSJ-UHFFFAOYSA-N 1 2 336.779 2.512 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000337316128 474887740 /nfs/dbraw/zinc/88/77/40/474887740.db2.gz DBVZHJMTVOJBHI-UHFFFAOYSA-N 1 2 330.392 2.716 20 5 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2.948 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CCN2Cc1[nH+]ccn1CC(F)(F)F ZINC000339855873 475563001 /nfs/dbraw/zinc/56/30/01/475563001.db2.gz MNTXVUCAEUMHSI-UHFFFAOYSA-N 1 2 326.278 2.916 20 5 EFBDLO Cc1cccc2[nH+]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000358359957 475617878 /nfs/dbraw/zinc/61/78/78/475617878.db2.gz UNFNODMMAFAMGO-UHFFFAOYSA-N 1 2 331.353 2.525 20 5 EFBDLO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782980 475620849 /nfs/dbraw/zinc/62/08/49/475620849.db2.gz GZXQVHLPLMUDMH-AWEZNQCLSA-N 1 2 325.328 2.508 20 5 EFBDLO Cc1nccc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000332400736 475626783 /nfs/dbraw/zinc/62/67/83/475626783.db2.gz SKLVYUNAUBPWID-ZDUSSCGKSA-N 1 2 327.388 2.576 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)s1 ZINC000332417490 475631462 /nfs/dbraw/zinc/63/14/62/475631462.db2.gz NVEVKEBEVYEAOO-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]ccc1OC ZINC000348433770 475663448 /nfs/dbraw/zinc/66/34/48/475663448.db2.gz WEFDDKBGWVXQEM-AWEZNQCLSA-N 1 2 343.383 2.884 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340061112 475726665 /nfs/dbraw/zinc/72/66/65/475726665.db2.gz ZBTPXJSJTPNAJE-UHFFFAOYSA-N 1 2 328.250 2.609 20 5 EFBDLO CC(=O)Nc1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297370363 475729249 /nfs/dbraw/zinc/72/92/49/475729249.db2.gz INOMNFCADPWRMK-UHFFFAOYSA-N 1 2 341.367 2.816 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353198794 475764125 /nfs/dbraw/zinc/76/41/25/475764125.db2.gz HZCVLXZXUHYHOK-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353198794 475764131 /nfs/dbraw/zinc/76/41/31/475764131.db2.gz HZCVLXZXUHYHOK-GFCCVEGCSA-N 1 2 343.330 2.662 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353216770 475778866 /nfs/dbraw/zinc/77/88/66/475778866.db2.gz VIUWYBJRTJOOGY-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353216770 475778875 /nfs/dbraw/zinc/77/88/75/475778875.db2.gz VIUWYBJRTJOOGY-CYBMUJFWSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2[nH+]1 ZINC000340151831 475803932 /nfs/dbraw/zinc/80/39/32/475803932.db2.gz NRVCEMVHMOOUPE-UHFFFAOYSA-N 1 2 346.368 2.889 20 5 EFBDLO COCC1(O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000297595070 475822458 /nfs/dbraw/zinc/82/24/58/475822458.db2.gz TXJHSOSMANFOPH-UHFFFAOYSA-N 1 2 334.397 2.516 20 5 EFBDLO Cc1cc(N[C@@H](C)c2ccon2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000353275867 475824481 /nfs/dbraw/zinc/82/44/81/475824481.db2.gz KPHPEDCADQREAJ-NSHDSACASA-N 1 2 325.328 2.943 20 5 EFBDLO CCN1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000355333096 475835711 /nfs/dbraw/zinc/83/57/11/475835711.db2.gz PIXDBXSNFMSQSD-XTKXOIQPSA-N 1 2 341.415 2.710 20 5 EFBDLO CCN1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000355333096 475835713 /nfs/dbraw/zinc/83/57/13/475835713.db2.gz PIXDBXSNFMSQSD-XTKXOIQPSA-N 1 2 341.415 2.710 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340205551 475855498 /nfs/dbraw/zinc/85/54/98/475855498.db2.gz YYZLWKQHGMVSKM-JSGCOSHPSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340205551 475855503 /nfs/dbraw/zinc/85/55/03/475855503.db2.gz YYZLWKQHGMVSKM-JSGCOSHPSA-N 1 2 348.321 2.881 20 5 EFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355385057 475890154 /nfs/dbraw/zinc/89/01/54/475890154.db2.gz VYYZQXICYFVLAA-WDEREUQCSA-N 1 2 326.780 2.879 20 5 EFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355385057 475890165 /nfs/dbraw/zinc/89/01/65/475890165.db2.gz VYYZQXICYFVLAA-WDEREUQCSA-N 1 2 326.780 2.879 20 5 EFBDLO Cc1noc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340257191 475895451 /nfs/dbraw/zinc/89/54/51/475895451.db2.gz KMSCFARFGMVBDX-UHFFFAOYSA-N 1 2 327.300 2.638 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000353360382 475899537 /nfs/dbraw/zinc/89/95/37/475899537.db2.gz HLWRLZHLEPLWMA-CYBMUJFWSA-N 1 2 333.323 2.740 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343264396 475903044 /nfs/dbraw/zinc/90/30/44/475903044.db2.gz UGFOJCOGOBVGMG-ZDUSSCGKSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343264396 475903057 /nfs/dbraw/zinc/90/30/57/475903057.db2.gz UGFOJCOGOBVGMG-ZDUSSCGKSA-N 1 2 337.420 2.905 20 5 EFBDLO COc1ccc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1[N+](=O)[O-] ZINC000358755538 475908873 /nfs/dbraw/zinc/90/88/73/475908873.db2.gz TWZXJWVHAXAINL-INIZCTEOSA-N 1 2 339.355 2.601 20 5 EFBDLO COc1c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000355448095 475947612 /nfs/dbraw/zinc/94/76/12/475947612.db2.gz TYJPSCOBUHPLLY-CYBMUJFWSA-N 1 2 330.344 2.694 20 5 EFBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468851 475995211 /nfs/dbraw/zinc/99/52/11/475995211.db2.gz CSZBVLRMQVYAED-DAXSKMNVSA-N 1 2 345.424 2.918 20 5 EFBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468851 475995217 /nfs/dbraw/zinc/99/52/17/475995217.db2.gz CSZBVLRMQVYAED-DAXSKMNVSA-N 1 2 345.424 2.918 20 5 EFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2[nH+]ccn21 ZINC000340407427 476016618 /nfs/dbraw/zinc/01/66/18/476016618.db2.gz LNKAZLUJBGWRHZ-UHFFFAOYSA-N 1 2 335.323 2.905 20 5 EFBDLO CCCCOCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353504459 476026511 /nfs/dbraw/zinc/02/65/11/476026511.db2.gz QZVGKWKCVMBPOP-MRXNPFEDSA-N 1 2 332.404 2.824 20 5 EFBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353517917 476039737 /nfs/dbraw/zinc/03/97/37/476039737.db2.gz KVYNHRBNXZJXSY-HOTGVXAUSA-N 1 2 332.404 2.678 20 5 EFBDLO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343443152 476068515 /nfs/dbraw/zinc/06/85/15/476068515.db2.gz USXATGCWCSHTKU-IMJJTQAJSA-N 1 2 340.383 2.567 20 5 EFBDLO Cc1nn(CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c(C)c1[N+](=O)[O-] ZINC000338639637 476075361 /nfs/dbraw/zinc/07/53/61/476075361.db2.gz RHKVPCDEPZACBD-UHFFFAOYSA-N 1 2 342.359 2.622 20 5 EFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000353577103 476094149 /nfs/dbraw/zinc/09/41/49/476094149.db2.gz SKNIXCVVZSUXKK-HNNXBMFYSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000353577103 476094155 /nfs/dbraw/zinc/09/41/55/476094155.db2.gz SKNIXCVVZSUXKK-HNNXBMFYSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000353580424 476096928 /nfs/dbraw/zinc/09/69/28/476096928.db2.gz ZXVZCOPRWNPPKK-OAHLLOKOSA-N 1 2 336.388 2.780 20 5 EFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000353580424 476096935 /nfs/dbraw/zinc/09/69/35/476096935.db2.gz ZXVZCOPRWNPPKK-OAHLLOKOSA-N 1 2 336.388 2.780 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000357036846 476177296 /nfs/dbraw/zinc/17/72/96/476177296.db2.gz KOBPQJIVJQBDQP-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000357036846 476177301 /nfs/dbraw/zinc/17/73/01/476177301.db2.gz KOBPQJIVJQBDQP-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000353679518 476181796 /nfs/dbraw/zinc/18/17/96/476181796.db2.gz HCUAYWBBIJYHRM-LBPRGKRZSA-N 1 2 344.293 2.544 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353678109 476182393 /nfs/dbraw/zinc/18/23/93/476182393.db2.gz CSRASIPLBLGHKN-LBPRGKRZSA-N 1 2 344.293 2.544 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1nccs1 ZINC000350480164 476203850 /nfs/dbraw/zinc/20/38/50/476203850.db2.gz PNTFQGUMJTZYAN-UHFFFAOYSA-N 1 2 348.428 2.538 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347253746 476206829 /nfs/dbraw/zinc/20/68/29/476206829.db2.gz DDQXSDMUBBBGNT-UHFFFAOYSA-N 1 2 329.291 2.703 20 5 EFBDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295670 476237976 /nfs/dbraw/zinc/23/79/76/476237976.db2.gz YRPKLMHZCQADFO-JTQLQIEISA-N 1 2 333.323 2.630 20 5 EFBDLO CC1(C)C(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000359644453 476255148 /nfs/dbraw/zinc/25/51/48/476255148.db2.gz HZEUVSFESIDLOU-UHFFFAOYSA-N 1 2 328.372 2.945 20 5 EFBDLO Cc1c(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000350604731 476262821 /nfs/dbraw/zinc/26/28/21/476262821.db2.gz IUHUWIBEWVUAMN-ZDUSSCGKSA-N 1 2 348.428 2.814 20 5 EFBDLO Cc1c(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000350604731 476262826 /nfs/dbraw/zinc/26/28/26/476262826.db2.gz IUHUWIBEWVUAMN-ZDUSSCGKSA-N 1 2 348.428 2.814 20 5 EFBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000357201913 476288031 /nfs/dbraw/zinc/28/80/31/476288031.db2.gz JBBRUVYNXFTUNW-UHFFFAOYSA-N 1 2 349.412 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CC(C)(CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000413514653 477708147 /nfs/dbraw/zinc/70/81/47/477708147.db2.gz CUBVRYCUURJIAL-UHFFFAOYSA-N 1 2 337.401 2.768 20 5 EFBDLO Cc1cc(N2CCC[C@@H](CO)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413595931 477743611 /nfs/dbraw/zinc/74/36/11/477743611.db2.gz QFRZXYBODGVHQD-HIFRSBDPSA-N 1 2 342.399 2.957 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372305244 477746239 /nfs/dbraw/zinc/74/62/39/477746239.db2.gz NWVRTAVMAAUMFN-GFCCVEGCSA-N 1 2 329.360 2.658 20 5 EFBDLO Cc1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(C)[nH+]1 ZINC000420847971 477794097 /nfs/dbraw/zinc/79/40/97/477794097.db2.gz LKEILPVGLUHHEF-UHFFFAOYSA-N 1 2 340.383 2.875 20 5 EFBDLO CC[C@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](CC)O1 ZINC000420958072 477855498 /nfs/dbraw/zinc/85/54/98/477855498.db2.gz OUQSCWOZZMOSBK-HOTGVXAUSA-N 1 2 336.388 2.851 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456348900 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CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000532650557 477965541 /nfs/dbraw/zinc/96/55/41/477965541.db2.gz ZVKBWRCFXSMXLF-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000532650557 477965546 /nfs/dbraw/zinc/96/55/46/477965546.db2.gz ZVKBWRCFXSMXLF-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])[nH+]1 ZINC000494600164 478021212 /nfs/dbraw/zinc/02/12/12/478021212.db2.gz CCIJAHPYUSRXJG-UHFFFAOYSA-N 1 2 326.316 2.577 20 5 EFBDLO COCc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451554174 478090001 /nfs/dbraw/zinc/09/00/01/478090001.db2.gz ZLVWAUXMRHYJBA-CYBMUJFWSA-N 1 2 332.360 2.504 20 5 EFBDLO COCc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451554174 478090007 /nfs/dbraw/zinc/09/00/07/478090007.db2.gz ZLVWAUXMRHYJBA-CYBMUJFWSA-N 1 2 332.360 2.504 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000421488063 478107213 /nfs/dbraw/zinc/10/72/13/478107213.db2.gz FLTQRIMNAQITEB-OAHLLOKOSA-N 1 2 341.367 2.900 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000421493421 478109151 /nfs/dbraw/zinc/10/91/51/478109151.db2.gz CBLPXKDLNPUMNS-ZDUSSCGKSA-N 1 2 328.372 2.575 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000429376810 478124302 /nfs/dbraw/zinc/12/43/02/478124302.db2.gz HEKWUMYLXQVWAU-LBPRGKRZSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000429376810 478124306 /nfs/dbraw/zinc/12/43/06/478124306.db2.gz HEKWUMYLXQVWAU-LBPRGKRZSA-N 1 2 347.371 2.964 20 5 EFBDLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000429406925 478130991 /nfs/dbraw/zinc/13/09/91/478130991.db2.gz NORTXLDSDFBRSO-OAHLLOKOSA-N 1 2 329.356 2.734 20 5 EFBDLO Cc1ccoc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000429406925 478130993 /nfs/dbraw/zinc/13/09/93/478130993.db2.gz 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O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495662961 478259203 /nfs/dbraw/zinc/25/92/03/478259203.db2.gz YPWPSISEXKFFNQ-AWEZNQCLSA-N 1 2 349.387 2.544 20 5 EFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc1 ZINC000590754640 478321567 /nfs/dbraw/zinc/32/15/67/478321567.db2.gz MGCDZXCIQXJAAE-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc1 ZINC000590754640 478321570 /nfs/dbraw/zinc/32/15/70/478321570.db2.gz MGCDZXCIQXJAAE-UHFFFAOYSA-N 1 2 328.372 2.677 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000590758721 478324503 /nfs/dbraw/zinc/32/45/03/478324503.db2.gz YWXUGGOCNMYXTR-HNNXBMFYSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000590758721 478324511 /nfs/dbraw/zinc/32/45/11/478324511.db2.gz YWXUGGOCNMYXTR-HNNXBMFYSA-N 1 2 335.429 2.669 20 5 EFBDLO C[C@@H]1OCC[C@@]12CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000579566729 478325238 /nfs/dbraw/zinc/32/52/38/478325238.db2.gz XLTOYCRWZRVVHU-YVEFUNNKSA-N 1 2 329.356 2.527 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775039 478331615 /nfs/dbraw/zinc/33/16/15/478331615.db2.gz OLFFMADZEATFHP-INIZCTEOSA-N 1 2 342.399 2.978 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333796 478332663 /nfs/dbraw/zinc/33/26/63/478332663.db2.gz UDUSELLJMOGCFS-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333796 478332674 /nfs/dbraw/zinc/33/26/74/478332674.db2.gz UDUSELLJMOGCFS-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594334795 478333173 /nfs/dbraw/zinc/33/31/73/478333173.db2.gz KJDBVDRBCQOPIN-CQSZACIVSA-N 1 2 341.367 2.761 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594334795 478333176 /nfs/dbraw/zinc/33/31/76/478333176.db2.gz KJDBVDRBCQOPIN-CQSZACIVSA-N 1 2 341.367 2.761 20 5 EFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597423710 478345375 /nfs/dbraw/zinc/34/53/75/478345375.db2.gz YXONGBGBMNSXCP-HUUCEWRRSA-N 1 2 340.383 2.623 20 5 EFBDLO CC(C)c1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594509306 478417135 /nfs/dbraw/zinc/41/71/35/478417135.db2.gz DNEQLXPDFLPMRH-OAHLLOKOSA-N 1 2 345.403 2.978 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594511432 478418766 /nfs/dbraw/zinc/41/87/66/478418766.db2.gz NGIKWNUPAMMAOB-FZMZJTMJSA-N 1 2 331.376 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000594510122 478419266 /nfs/dbraw/zinc/41/92/66/478419266.db2.gz HNUOCWQLGCYNAP-GJZGRUSLSA-N 1 2 343.387 2.732 20 5 EFBDLO CC(C)Oc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000594548593 478431975 /nfs/dbraw/zinc/43/19/75/478431975.db2.gz NOYBAXXECFYQRH-ZDUSSCGKSA-N 1 2 331.376 2.815 20 5 EFBDLO CC(C)Oc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000594548592 478432309 /nfs/dbraw/zinc/43/23/09/478432309.db2.gz NOYBAXXECFYQRH-CYBMUJFWSA-N 1 2 331.376 2.815 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220434 478542106 /nfs/dbraw/zinc/54/21/06/478542106.db2.gz UBEUYLVRQYPGHF-LRDDRELGSA-N 1 2 340.387 2.751 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220434 478542113 /nfs/dbraw/zinc/54/21/13/478542113.db2.gz UBEUYLVRQYPGHF-LRDDRELGSA-N 1 2 340.387 2.751 20 5 EFBDLO Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597940250 478587991 /nfs/dbraw/zinc/58/79/91/478587991.db2.gz GIMFXOFQABAABO-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000594996601 478622967 /nfs/dbraw/zinc/62/29/67/478622967.db2.gz SVQGHZLVUYSKNP-AWEZNQCLSA-N 1 2 338.310 2.705 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000595003311 478625416 /nfs/dbraw/zinc/62/54/16/478625416.db2.gz GTBVYFYLDFCKPD-LBPRGKRZSA-N 1 2 345.403 2.772 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000595040766 478638814 /nfs/dbraw/zinc/63/88/14/478638814.db2.gz WTUBRMWFZFMZKC-LLVKDONJSA-N 1 2 333.392 2.801 20 5 EFBDLO CCC[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595083129 478654947 /nfs/dbraw/zinc/65/49/47/478654947.db2.gz UXFPPVGVSPNGAS-GFCCVEGCSA-N 1 2 334.401 2.781 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664051 478655461 /nfs/dbraw/zinc/65/54/61/478655461.db2.gz VFWUVEVXFLNNGL-OCCSQVGLSA-N 1 2 347.415 2.874 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000582664051 478655472 /nfs/dbraw/zinc/65/54/72/478655472.db2.gz VFWUVEVXFLNNGL-OCCSQVGLSA-N 1 2 347.415 2.874 20 5 EFBDLO COc1cc(CNc2c[nH+]cc(N(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000601140960 478683147 /nfs/dbraw/zinc/68/31/47/478683147.db2.gz DZTIFSIZIPIXPD-UHFFFAOYSA-N 1 2 332.360 2.685 20 5 EFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595291685 478716881 /nfs/dbraw/zinc/71/68/81/478716881.db2.gz LZYRYUZAFARJCR-ZDUSSCGKSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595291685 478716889 /nfs/dbraw/zinc/71/68/89/478716889.db2.gz LZYRYUZAFARJCR-ZDUSSCGKSA-N 1 2 345.355 3.000 20 5 EFBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595292198 478717648 /nfs/dbraw/zinc/71/76/48/478717648.db2.gz WTDZOFDRIYHYSE-ZDUSSCGKSA-N 1 2 347.371 2.943 20 5 EFBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595292198 478717656 /nfs/dbraw/zinc/71/76/56/478717656.db2.gz WTDZOFDRIYHYSE-ZDUSSCGKSA-N 1 2 347.371 2.943 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914359 478718028 /nfs/dbraw/zinc/71/80/28/478718028.db2.gz FYFUDLIROVFFME-CYBMUJFWSA-N 1 2 330.388 2.636 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914359 478718037 /nfs/dbraw/zinc/71/80/37/478718037.db2.gz FYFUDLIROVFFME-CYBMUJFWSA-N 1 2 330.388 2.636 20 5 EFBDLO C[C@H]1C[NH+](CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000595358829 478746037 /nfs/dbraw/zinc/74/60/37/478746037.db2.gz YOFORBBTGBESLY-GJZGRUSLSA-N 1 2 333.432 2.668 20 5 EFBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595375614 478752209 /nfs/dbraw/zinc/75/22/09/478752209.db2.gz CIKMUBUDLACGLS-DZGCQCFKSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595375614 478752215 /nfs/dbraw/zinc/75/22/15/478752215.db2.gz CIKMUBUDLACGLS-DZGCQCFKSA-N 1 2 344.408 2.522 20 5 EFBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595392140 478759627 /nfs/dbraw/zinc/75/96/27/478759627.db2.gz KOGFRJVSBRMJFA-QMTHXVAHSA-N 1 2 333.344 2.531 20 5 EFBDLO C[C@@H]1C[NH+](CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000595405387 478762583 /nfs/dbraw/zinc/76/25/83/478762583.db2.gz WYPHZQZYYPOBII-HUUCEWRRSA-N 1 2 333.432 2.668 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000595465475 478798991 /nfs/dbraw/zinc/79/89/91/478798991.db2.gz OAYVRHRALSSTTE-GWCFXTLKSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000595465475 478798997 /nfs/dbraw/zinc/79/89/97/478798997.db2.gz OAYVRHRALSSTTE-GWCFXTLKSA-N 1 2 336.285 2.869 20 5 EFBDLO Cc1noc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595494457 478819207 /nfs/dbraw/zinc/81/92/07/478819207.db2.gz BQKIQMIOAZBOJV-GFCCVEGCSA-N 1 2 325.752 2.758 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196942 478822778 /nfs/dbraw/zinc/82/27/78/478822778.db2.gz ZTTPQFWMKRBIKR-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196942 478822786 /nfs/dbraw/zinc/82/27/86/478822786.db2.gz ZTTPQFWMKRBIKR-KGLIPLIRSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196309 478823451 /nfs/dbraw/zinc/82/34/51/478823451.db2.gz VQIOCUGHDYTSJN-CQSZACIVSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196309 478823458 /nfs/dbraw/zinc/82/34/58/478823458.db2.gz VQIOCUGHDYTSJN-CQSZACIVSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1noc(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595510154 478827901 /nfs/dbraw/zinc/82/79/01/478827901.db2.gz JZVWDBLQJVVWFW-LLVKDONJSA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1noc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595510154 478827905 /nfs/dbraw/zinc/82/79/05/478827905.db2.gz JZVWDBLQJVVWFW-LLVKDONJSA-N 1 2 334.351 2.741 20 5 EFBDLO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466374 478837544 /nfs/dbraw/zinc/83/75/44/478837544.db2.gz ZSONPENENXOGRN-QMMMGPOBSA-N 1 2 342.277 2.838 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465428 478837758 /nfs/dbraw/zinc/83/77/58/478837758.db2.gz RWBAZBXEWJWOHW-JTQLQIEISA-N 1 2 334.401 2.931 20 5 EFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595549124 478849102 /nfs/dbraw/zinc/84/91/02/478849102.db2.gz HOCFWMVHGZSXFY-QMMMGPOBSA-N 1 2 339.348 2.828 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595551687 478850603 /nfs/dbraw/zinc/85/06/03/478850603.db2.gz YACWJKQVWZFWJY-IUODEOHRSA-N 1 2 337.763 2.853 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595551687 478850611 /nfs/dbraw/zinc/85/06/11/478850611.db2.gz YACWJKQVWZFWJY-IUODEOHRSA-N 1 2 337.763 2.853 20 5 EFBDLO COc1cccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000505611152 478876269 /nfs/dbraw/zinc/87/62/69/478876269.db2.gz QHTOBVGXNPJYTB-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000507452238 478922843 /nfs/dbraw/zinc/92/28/43/478922843.db2.gz URMSTDFJQDJZFJ-BETUJISGSA-N 1 2 349.431 2.787 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000507452238 478922847 /nfs/dbraw/zinc/92/28/47/478922847.db2.gz URMSTDFJQDJZFJ-BETUJISGSA-N 1 2 349.431 2.787 20 5 EFBDLO Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598633475 478936424 /nfs/dbraw/zinc/93/64/24/478936424.db2.gz AEVUDMRBVJMZIU-SWLSCSKDSA-N 1 2 342.399 2.815 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCCC2)O1 ZINC000592532944 478937504 /nfs/dbraw/zinc/93/75/04/478937504.db2.gz PRAOWBZXCMKYSJ-ZDUSSCGKSA-N 1 2 348.399 2.900 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCCC2)O1 ZINC000592532944 478937511 /nfs/dbraw/zinc/93/75/11/478937511.db2.gz PRAOWBZXCMKYSJ-ZDUSSCGKSA-N 1 2 348.399 2.900 20 5 EFBDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595761928 478981306 /nfs/dbraw/zinc/98/13/06/478981306.db2.gz YPJZQRKSVAZMCK-OAHLLOKOSA-N 1 2 348.378 2.783 20 5 EFBDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595761928 478981311 /nfs/dbraw/zinc/98/13/11/478981311.db2.gz YPJZQRKSVAZMCK-OAHLLOKOSA-N 1 2 348.378 2.783 20 5 EFBDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595760782 478981756 /nfs/dbraw/zinc/98/17/56/478981756.db2.gz SKZAYNULIZYULK-INIZCTEOSA-N 1 2 348.378 2.783 20 5 EFBDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595760782 478981760 /nfs/dbraw/zinc/98/17/60/478981760.db2.gz SKZAYNULIZYULK-INIZCTEOSA-N 1 2 348.378 2.783 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000583976156 478982908 /nfs/dbraw/zinc/98/29/08/478982908.db2.gz UPVYOYAQTDMMKA-AWEZNQCLSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000583976156 478982914 /nfs/dbraw/zinc/98/29/14/478982914.db2.gz UPVYOYAQTDMMKA-AWEZNQCLSA-N 1 2 335.429 2.669 20 5 EFBDLO CCc1ccc([C@@H]([NH2+]C2CN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000573137004 479001002 /nfs/dbraw/zinc/00/10/02/479001002.db2.gz CTEYZHKRAAKLKR-SFHVURJKSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C(CCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC000584106306 479016294 /nfs/dbraw/zinc/01/62/94/479016294.db2.gz VPIYEAVAEHLAOQ-UHFFFAOYSA-N 1 2 337.339 2.882 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)nc2c1 ZINC000595822641 479016731 /nfs/dbraw/zinc/01/67/31/479016731.db2.gz YWEHGUBQCMUUKD-UHFFFAOYSA-N 1 2 342.399 2.862 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)nc2c1 ZINC000595822641 479016740 /nfs/dbraw/zinc/01/67/40/479016740.db2.gz YWEHGUBQCMUUKD-UHFFFAOYSA-N 1 2 342.399 2.862 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH+]1 ZINC000584119082 479021714 /nfs/dbraw/zinc/02/17/14/479021714.db2.gz 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COc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599624835 479357286 /nfs/dbraw/zinc/35/72/86/479357286.db2.gz ZLCMJIDHYUMNRG-SNVBAGLBSA-N 1 2 343.330 2.662 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599624835 479357294 /nfs/dbraw/zinc/35/72/94/479357294.db2.gz ZLCMJIDHYUMNRG-SNVBAGLBSA-N 1 2 343.330 2.662 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000599637892 479362754 /nfs/dbraw/zinc/36/27/54/479362754.db2.gz WTXHQCLHGZBZFQ-UHFFFAOYSA-N 1 2 340.305 2.868 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000599637892 479362758 /nfs/dbraw/zinc/36/27/58/479362758.db2.gz WTXHQCLHGZBZFQ-UHFFFAOYSA-N 1 2 340.305 2.868 20 5 EFBDLO Cc1c(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000611463174 479385398 /nfs/dbraw/zinc/38/53/98/479385398.db2.gz KNKUWJKGEICDHI-UHFFFAOYSA-N 1 2 331.416 2.736 20 5 EFBDLO Cc1c(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000611463174 479385405 /nfs/dbraw/zinc/38/54/05/479385405.db2.gz KNKUWJKGEICDHI-UHFFFAOYSA-N 1 2 331.416 2.736 20 5 EFBDLO Cc1ccc([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1[N+](=O)[O-] ZINC000611475624 479388874 /nfs/dbraw/zinc/38/88/74/479388874.db2.gz LXJIRQBZSQZWRS-ZDUSSCGKSA-N 1 2 330.388 2.900 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1O ZINC000602622733 479430224 /nfs/dbraw/zinc/43/02/24/479430224.db2.gz LSZJVIZHBRCCNM-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000599700450 479397643 /nfs/dbraw/zinc/39/76/43/479397643.db2.gz GOGANZGSLSLLGP-QGZVFWFLSA-N 1 2 349.431 2.873 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000599700450 479397645 /nfs/dbraw/zinc/39/76/45/479397645.db2.gz GOGANZGSLSLLGP-QGZVFWFLSA-N 1 2 349.431 2.873 20 5 EFBDLO COc1cc(C[NH2+]Cc2cocn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520283 479404235 /nfs/dbraw/zinc/40/42/35/479404235.db2.gz JLHYKJHCIIXNGO-UHFFFAOYSA-N 1 2 343.286 2.525 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1O ZINC000602622733 479430221 /nfs/dbraw/zinc/43/02/21/479430221.db2.gz LSZJVIZHBRCCNM-GMSGAONNSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000602626401 479432837 /nfs/dbraw/zinc/43/28/37/479432837.db2.gz YHHJKPWBEWZXLI-ZANVPECISA-N 1 2 345.321 2.699 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000602626401 479432840 /nfs/dbraw/zinc/43/28/40/479432840.db2.gz YHHJKPWBEWZXLI-ZANVPECISA-N 1 2 345.321 2.699 20 5 EFBDLO Cc1c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000603836811 479434695 /nfs/dbraw/zinc/43/46/95/479434695.db2.gz FELAGPDDKHRADP-UHFFFAOYSA-N 1 2 346.431 2.627 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909429 479451277 /nfs/dbraw/zinc/45/12/77/479451277.db2.gz VSVNHMCGZDUCPF-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2ccccc2C1 ZINC000603909429 479451284 /nfs/dbraw/zinc/45/12/84/479451284.db2.gz VSVNHMCGZDUCPF-ZDUSSCGKSA-N 1 2 341.367 2.816 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2[nH]c[nH+]c2C1 ZINC000599952765 479478977 /nfs/dbraw/zinc/47/89/77/479478977.db2.gz RFEBBANMABPNRS-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000599952765 479478981 /nfs/dbraw/zinc/47/89/81/479478981.db2.gz RFEBBANMABPNRS-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO C[C@@H](O)C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602711795 479495589 /nfs/dbraw/zinc/49/55/89/479495589.db2.gz QYEYHWHHLQIHKD-SSDOTTSWSA-N 1 2 335.223 2.764 20 5 EFBDLO C[C@@H](O)C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602711795 479495598 /nfs/dbraw/zinc/49/55/98/479495598.db2.gz QYEYHWHHLQIHKD-SSDOTTSWSA-N 1 2 335.223 2.764 20 5 EFBDLO Cn1nc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc21 ZINC000618618939 479516807 /nfs/dbraw/zinc/51/68/07/479516807.db2.gz BDWUIQHBETZHTA-UHFFFAOYSA-N 1 2 336.355 2.648 20 5 EFBDLO C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590206979 479617944 /nfs/dbraw/zinc/61/79/44/479617944.db2.gz OUQSREVEKKXJDR-AWEZNQCLSA-N 1 2 340.383 2.509 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1 ZINC000597208683 479620897 /nfs/dbraw/zinc/62/08/97/479620897.db2.gz CPCOLNBKQINDRJ-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1 ZINC000597208683 479620905 /nfs/dbraw/zinc/62/09/05/479620905.db2.gz CPCOLNBKQINDRJ-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000578895751 479628725 /nfs/dbraw/zinc/62/87/25/479628725.db2.gz WGJJKGZKFQABIG-CYBMUJFWSA-N 1 2 346.390 2.755 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)n1 ZINC000602927419 479635693 /nfs/dbraw/zinc/63/56/93/479635693.db2.gz GDSHAGOCJDAQCH-UHFFFAOYSA-N 1 2 340.305 2.868 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)n1 ZINC000602927419 479635699 /nfs/dbraw/zinc/63/56/99/479635699.db2.gz GDSHAGOCJDAQCH-UHFFFAOYSA-N 1 2 340.305 2.868 20 5 EFBDLO CCc1nocc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590377553 479637347 /nfs/dbraw/zinc/63/73/47/479637347.db2.gz IOMXDPKOXPDIES-UHFFFAOYSA-N 1 2 333.344 2.548 20 5 EFBDLO CCc1nocc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590377553 479637348 /nfs/dbraw/zinc/63/73/48/479637348.db2.gz IOMXDPKOXPDIES-UHFFFAOYSA-N 1 2 333.344 2.548 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)s2)cc1 ZINC000597248678 479642945 /nfs/dbraw/zinc/64/29/45/479642945.db2.gz CORVGCJZFORVEE-UHFFFAOYSA-N 1 2 341.396 3.000 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCc4nn[nH]c4C3)s2)cc1 ZINC000597248678 479642951 /nfs/dbraw/zinc/64/29/51/479642951.db2.gz CORVGCJZFORVEE-UHFFFAOYSA-N 1 2 341.396 3.000 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000590605928 479669229 /nfs/dbraw/zinc/66/92/29/479669229.db2.gz UGUHXBTXQJIEHB-LLVKDONJSA-N 1 2 346.387 2.962 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000590605929 479669284 /nfs/dbraw/zinc/66/92/84/479669284.db2.gz UGUHXBTXQJIEHB-NSHDSACASA-N 1 2 346.387 2.962 20 5 EFBDLO Cc1nc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cs1 ZINC000619151962 479699952 /nfs/dbraw/zinc/69/99/52/479699952.db2.gz JVFMNKBCEUOVCL-UHFFFAOYSA-N 1 2 348.428 2.804 20 5 EFBDLO CCc1cc(N)nc(SCCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000619166401 479704801 /nfs/dbraw/zinc/70/48/01/479704801.db2.gz AGOWCAUMPYFCGL-UHFFFAOYSA-N 1 2 334.401 2.921 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612611861 479710069 /nfs/dbraw/zinc/71/00/69/479710069.db2.gz PVLXHZXIOGOUGN-LBPRGKRZSA-N 1 2 333.323 2.799 20 5 EFBDLO C[C@H]1C[C@H](C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615990635 479801127 /nfs/dbraw/zinc/80/11/27/479801127.db2.gz BIQSTEQZAILLGW-GJZGRUSLSA-N 1 2 333.432 2.909 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609553507 480174396 /nfs/dbraw/zinc/17/43/96/480174396.db2.gz VTQCTHBYNRQLHH-CYBMUJFWSA-N 1 2 345.359 2.669 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)CO1 ZINC000609671533 480195896 /nfs/dbraw/zinc/19/58/96/480195896.db2.gz FAYIYRRKBXNZDL-UHFFFAOYSA-N 1 2 336.388 2.851 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)CO1 ZINC000609671533 480195905 /nfs/dbraw/zinc/19/59/05/480195905.db2.gz FAYIYRRKBXNZDL-UHFFFAOYSA-N 1 2 336.388 2.851 20 5 EFBDLO Cc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC000610434858 480304736 /nfs/dbraw/zinc/30/47/36/480304736.db2.gz OANAKZZYCJXXLV-UHFFFAOYSA-N 1 2 338.367 2.832 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000610434623 480304768 /nfs/dbraw/zinc/30/47/68/480304768.db2.gz BRPTWSKMBMILLV-UHFFFAOYSA-N 1 2 342.330 2.663 20 5 EFBDLO C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000617709646 480331680 /nfs/dbraw/zinc/33/16/80/480331680.db2.gz YTPWDUHAHPXZKI-AWEZNQCLSA-N 1 2 339.395 2.830 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000610663392 480357750 /nfs/dbraw/zinc/35/77/50/480357750.db2.gz NXAPUBLQDJVLCH-ZQMJAJRESA-N 1 2 344.392 2.726 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618279974 480603672 /nfs/dbraw/zinc/60/36/72/480603672.db2.gz LYWSHEFRHQLFDS-CYBMUJFWSA-N 1 2 326.360 2.505 20 5 EFBDLO C[C@@H]1CSCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000191290664 534488821 /nfs/dbraw/zinc/48/88/21/534488821.db2.gz PFDNKFLWWZGNSG-LBPRGKRZSA-N 1 2 346.412 2.606 20 5 EFBDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000191668404 534521730 /nfs/dbraw/zinc/52/17/30/534521730.db2.gz ZJTUDTKOMAHGAW-UHFFFAOYSA-N 1 2 340.383 2.808 20 5 EFBDLO CCOc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000121351876 521340540 /nfs/dbraw/zinc/34/05/40/521340540.db2.gz RLGGJRRCBCNBDN-UHFFFAOYSA-N 1 2 342.399 2.711 20 5 EFBDLO CCc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000121278599 523887420 /nfs/dbraw/zinc/88/74/20/523887420.db2.gz DBISGEOTUWVLQS-MRXNPFEDSA-N 1 2 341.367 2.846 20 5 EFBDLO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000068085166 524088099 /nfs/dbraw/zinc/08/80/99/524088099.db2.gz QVKFBCOEVPUCDS-ZDUSSCGKSA-N 1 2 335.404 2.542 20 5 EFBDLO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000068085166 524088103 /nfs/dbraw/zinc/08/81/03/524088103.db2.gz QVKFBCOEVPUCDS-ZDUSSCGKSA-N 1 2 335.404 2.542 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194562983 524359921 /nfs/dbraw/zinc/35/99/21/524359921.db2.gz FDDZNGWXGXTEDZ-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000120968986 524956465 /nfs/dbraw/zinc/95/64/65/524956465.db2.gz ITXIMTPSYKPVKV-QGZVFWFLSA-N 1 2 348.355 2.649 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000120968986 524956473 /nfs/dbraw/zinc/95/64/73/524956473.db2.gz ITXIMTPSYKPVKV-QGZVFWFLSA-N 1 2 348.355 2.649 20 5 EFBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000181304238 525564499 /nfs/dbraw/zinc/56/44/99/525564499.db2.gz HDLRJMHQXHLXQW-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO CSCC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154593874 525576835 /nfs/dbraw/zinc/57/68/35/525576835.db2.gz JQDJLFPMUDOGBT-CYBMUJFWSA-N 1 2 348.428 2.886 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000360891798 534879268 /nfs/dbraw/zinc/87/92/68/534879268.db2.gz PXCVCPAJLWJSDQ-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120793515 526053339 /nfs/dbraw/zinc/05/33/39/526053339.db2.gz OSNMCOKLFVAOOJ-AWEZNQCLSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120910655 526072721 /nfs/dbraw/zinc/07/27/21/526072721.db2.gz LJGIKDJIGCSRBW-HNNXBMFYSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591368 526079431 /nfs/dbraw/zinc/07/94/31/526079431.db2.gz WTCQXJGNPGEFIV-UHFFFAOYSA-N 1 2 334.401 2.820 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591368 526079438 /nfs/dbraw/zinc/07/94/38/526079438.db2.gz WTCQXJGNPGEFIV-UHFFFAOYSA-N 1 2 334.401 2.820 20 5 EFBDLO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000119852256 526249552 /nfs/dbraw/zinc/24/95/52/526249552.db2.gz VGXXXWRFCIMLEU-CQSZACIVSA-N 1 2 342.399 2.732 20 5 EFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117626894 526412522 /nfs/dbraw/zinc/41/25/22/526412522.db2.gz MASXQRBCOIDEAW-UHFFFAOYSA-N 1 2 336.351 2.753 20 5 EFBDLO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000412099160 536468251 /nfs/dbraw/zinc/46/82/51/536468251.db2.gz ZSEZCLYWWQJWFE-UHFFFAOYSA-N 1 2 341.839 2.791 20 5 EFBDLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000246161782 526798029 /nfs/dbraw/zinc/79/80/29/526798029.db2.gz QNBWCWLFKXSIPV-CABCVRRESA-N 1 2 335.429 2.893 20 5 EFBDLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000246161782 526798033 /nfs/dbraw/zinc/79/80/33/526798033.db2.gz QNBWCWLFKXSIPV-CABCVRRESA-N 1 2 335.429 2.893 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000065968723 526866186 /nfs/dbraw/zinc/86/61/86/526866186.db2.gz FRSNTPFCICBVAL-UHFFFAOYSA-N 1 2 330.388 2.517 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)sc1C ZINC000157561570 526968406 /nfs/dbraw/zinc/96/84/06/526968406.db2.gz QKAVIHQGKMTDQO-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089540910 527131246 /nfs/dbraw/zinc/13/12/46/527131246.db2.gz ICJZIIWLOTZHIW-MRXNPFEDSA-N 1 2 341.367 2.904 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089540910 527131250 /nfs/dbraw/zinc/13/12/50/527131250.db2.gz ICJZIIWLOTZHIW-MRXNPFEDSA-N 1 2 341.367 2.904 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCCNc1cccc[nH+]1 ZINC000152649500 527246466 /nfs/dbraw/zinc/24/64/66/527246466.db2.gz VAIMOISUQCUJDK-UHFFFAOYSA-N 1 2 346.362 2.680 20 5 EFBDLO O=C(Nc1cccc2[nH]cnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118726900 527378601 /nfs/dbraw/zinc/37/86/01/527378601.db2.gz FGNUIOMYLWOCCP-UHFFFAOYSA-N 1 2 348.322 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC000154136050 527379275 /nfs/dbraw/zinc/37/92/75/527379275.db2.gz WYMUCFHNCCDDFF-UHFFFAOYSA-N 1 2 339.399 2.938 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC000154136050 527379281 /nfs/dbraw/zinc/37/92/81/527379281.db2.gz WYMUCFHNCCDDFF-UHFFFAOYSA-N 1 2 339.399 2.938 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000173696090 528325031 /nfs/dbraw/zinc/32/50/31/528325031.db2.gz WZNBQSJTCMFPEB-UHFFFAOYSA-N 1 2 342.399 2.579 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186994483 528506740 /nfs/dbraw/zinc/50/67/40/528506740.db2.gz XXTHUVNIORADRJ-UHFFFAOYSA-N 1 2 333.388 2.808 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186994483 528506744 /nfs/dbraw/zinc/50/67/44/528506744.db2.gz XXTHUVNIORADRJ-UHFFFAOYSA-N 1 2 333.388 2.808 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000433676798 535324883 /nfs/dbraw/zinc/32/48/83/535324883.db2.gz ZSMNRURVSBWGSH-UHFFFAOYSA-N 1 2 340.343 2.879 20 5 EFBDLO CCc1nn(C)c(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000361046436 536182102 /nfs/dbraw/zinc/18/21/02/536182102.db2.gz PCRWKJRCXBMUIQ-UHFFFAOYSA-N 1 2 326.360 2.893 20 5 EFBDLO COc1ccccc1C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000264149858 537043674 /nfs/dbraw/zinc/04/36/74/537043674.db2.gz ZRWCFNXKOKTARR-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO COc1ccccc1C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000264149858 537043678 /nfs/dbraw/zinc/04/36/78/537043678.db2.gz ZRWCFNXKOKTARR-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO O=C(NC[C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288107747 545698207 /nfs/dbraw/zinc/69/82/07/545698207.db2.gz SKZROAXNVTYHPU-GFCCVEGCSA-N 1 2 346.412 2.654 20 5 EFBDLO O=C(NC[C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288107749 545698402 /nfs/dbraw/zinc/69/84/02/545698402.db2.gz SKZROAXNVTYHPU-LBPRGKRZSA-N 1 2 346.412 2.654 20 5 EFBDLO CC[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000672907502 547826228 /nfs/dbraw/zinc/82/62/28/547826228.db2.gz DNOBDRVBLHPBOG-AWEZNQCLSA-N 1 2 349.434 2.848 20 5 EFBDLO CC[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000672907502 547826232 /nfs/dbraw/zinc/82/62/32/547826232.db2.gz DNOBDRVBLHPBOG-AWEZNQCLSA-N 1 2 349.434 2.848 20 5 EFBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755314522 575573275 /nfs/dbraw/zinc/57/32/75/575573275.db2.gz CZWKZEGJOYXVCK-OAHLLOKOSA-N 1 2 338.404 2.682 20 5 EFBDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755314522 575573278 /nfs/dbraw/zinc/57/32/78/575573278.db2.gz CZWKZEGJOYXVCK-OAHLLOKOSA-N 1 2 338.404 2.682 20 5 EFBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755314521 575573289 /nfs/dbraw/zinc/57/32/89/575573289.db2.gz CZWKZEGJOYXVCK-HNNXBMFYSA-N 1 2 338.404 2.682 20 5 EFBDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755314521 575573291 /nfs/dbraw/zinc/57/32/91/575573291.db2.gz CZWKZEGJOYXVCK-HNNXBMFYSA-N 1 2 338.404 2.682 20 5 EFBDLO Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000755638857 575611837 /nfs/dbraw/zinc/61/18/37/575611837.db2.gz QIXRXQONSLEYLH-UHFFFAOYSA-N 1 2 325.328 2.595 20 5 EFBDLO CN(C)c1cc(COC(=O)CSc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000755889059 575650090 /nfs/dbraw/zinc/65/00/90/575650090.db2.gz JIHWFFGFSMVUII-UHFFFAOYSA-N 1 2 347.396 2.891 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000756129823 575690202 /nfs/dbraw/zinc/69/02/02/575690202.db2.gz FHELDWCIMCPVDX-SNVBAGLBSA-N 1 2 334.763 2.611 20 5 EFBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1(C)C ZINC000758998341 575882293 /nfs/dbraw/zinc/88/22/93/575882293.db2.gz BNQBNLYOPVRYDW-LLVKDONJSA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1(C)C ZINC000758998341 575882294 /nfs/dbraw/zinc/88/22/94/575882294.db2.gz BNQBNLYOPVRYDW-LLVKDONJSA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1(C)C ZINC000758999425 575882330 /nfs/dbraw/zinc/88/23/30/575882330.db2.gz IRYYRMBLWMYTGH-VIFPVBQESA-N 1 2 331.214 2.879 20 5 EFBDLO C[C@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1(C)C ZINC000758999425 575882331 /nfs/dbraw/zinc/88/23/31/575882331.db2.gz IRYYRMBLWMYTGH-VIFPVBQESA-N 1 2 331.214 2.879 20 5 EFBDLO C[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000759250443 575887754 /nfs/dbraw/zinc/88/77/54/575887754.db2.gz ZVSJOQJVTHZPMI-QWHCGFSZSA-N 1 2 326.360 2.527 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)ccc1Cl ZINC000761250265 576135843 /nfs/dbraw/zinc/13/58/43/576135843.db2.gz JMRDQFNAFKOYDC-ZDUSSCGKSA-N 1 2 326.780 2.976 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)ccc1Cl ZINC000761250265 576135845 /nfs/dbraw/zinc/13/58/45/576135845.db2.gz JMRDQFNAFKOYDC-ZDUSSCGKSA-N 1 2 326.780 2.976 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3cccnc3)no2)ccc1-n1cc[nH+]c1 ZINC000761541503 576176847 /nfs/dbraw/zinc/17/68/47/576176847.db2.gz FIKRTLHNFRVURM-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO C[C@@H]1CC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000762165333 576268270 /nfs/dbraw/zinc/26/82/70/576268270.db2.gz IJXLXQYEKZSGLE-YPMHNXCESA-N 1 2 331.328 2.505 20 5 EFBDLO C[C@H](C(=O)OCc1cc[nH+]c(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000763391897 576375574 /nfs/dbraw/zinc/37/55/74/576375574.db2.gz HMNYRWLXUYBFEJ-LBPRGKRZSA-N 1 2 329.356 2.903 20 5 EFBDLO CN(CCO)c1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]c1 ZINC000763484749 576378897 /nfs/dbraw/zinc/37/88/97/576378897.db2.gz GRVDUQICZXVJMO-UHFFFAOYSA-N 1 2 336.779 2.684 20 5 EFBDLO Cc1nn(C[N@H+]2CCOC[C@@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764987387 576533040 /nfs/dbraw/zinc/53/30/40/576533040.db2.gz KBGFRXCVJOLTND-HNNXBMFYSA-N 1 2 332.404 2.957 20 5 EFBDLO Cc1nn(C[N@@H+]2CCOC[C@@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764987387 576533041 /nfs/dbraw/zinc/53/30/41/576533041.db2.gz KBGFRXCVJOLTND-HNNXBMFYSA-N 1 2 332.404 2.957 20 5 EFBDLO CNc1c(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cccc1[N+](=O)[O-] ZINC000765432321 577041472 /nfs/dbraw/zinc/04/14/72/577041472.db2.gz UWXQXHQDDYTBNA-UHFFFAOYSA-N 1 2 344.371 2.587 20 5 EFBDLO COc1cccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000766606207 577170124 /nfs/dbraw/zinc/17/01/24/577170124.db2.gz SMZBVRZCGFXEMV-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO COc1cccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000766606207 577170127 /nfs/dbraw/zinc/17/01/27/577170127.db2.gz SMZBVRZCGFXEMV-UHFFFAOYSA-N 1 2 341.367 2.696 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767588371 577216930 /nfs/dbraw/zinc/21/69/30/577216930.db2.gz STUMMTXZZKDMIE-GASCZTMLSA-N 1 2 348.399 2.540 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767588371 577216932 /nfs/dbraw/zinc/21/69/32/577216932.db2.gz STUMMTXZZKDMIE-GASCZTMLSA-N 1 2 348.399 2.540 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769565066 577372698 /nfs/dbraw/zinc/37/26/98/577372698.db2.gz IDOYXFQMUQHDOX-QGZVFWFLSA-N 1 2 348.330 2.942 20 5 EFBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769565066 577372700 /nfs/dbraw/zinc/37/27/00/577372700.db2.gz IDOYXFQMUQHDOX-QGZVFWFLSA-N 1 2 348.330 2.942 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000771164971 581182294 /nfs/dbraw/zinc/18/22/94/581182294.db2.gz VPPVHSNOONAMID-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000771164971 581182296 /nfs/dbraw/zinc/18/22/96/581182296.db2.gz VPPVHSNOONAMID-UHFFFAOYSA-N 1 2 329.347 2.769 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(-c3ccnc(-n4cc[nH+]c4)c3)n2)s1 ZINC000771218123 581189097 /nfs/dbraw/zinc/18/90/97/581189097.db2.gz YKBDONFKIKJMHE-UHFFFAOYSA-N 1 2 340.324 2.954 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCOC3)no2)ccc1-n1cc[nH+]c1 ZINC000771604557 581226287 /nfs/dbraw/zinc/22/62/87/581226287.db2.gz ZTIMVCJHCHPFJJ-GFCCVEGCSA-N 1 2 341.327 2.725 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+](CCCCO)CC2)c(Cl)c1 ZINC000772082400 581280006 /nfs/dbraw/zinc/28/00/06/581280006.db2.gz NIGQCRHIVCNARZ-UHFFFAOYSA-N 1 2 348.230 2.796 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000774839341 581502024 /nfs/dbraw/zinc/50/20/24/581502024.db2.gz DVLWBQUICUFMKX-UHFFFAOYSA-N 1 2 329.312 2.767 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000774839341 581502025 /nfs/dbraw/zinc/50/20/25/581502025.db2.gz DVLWBQUICUFMKX-UHFFFAOYSA-N 1 2 329.312 2.767 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000253172492 1249077632 /nfs/dbraw/zinc/07/76/32/1249077632.db2.gz BLDINQCUMNPCPL-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000253172492 1249077643 /nfs/dbraw/zinc/07/76/43/1249077643.db2.gz BLDINQCUMNPCPL-NOZJJQNGSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922537187 1266217791 /nfs/dbraw/zinc/21/77/91/1266217791.db2.gz AKIFQINIHIJSCK-SNVBAGLBSA-N 1 2 335.385 2.948 20 5 EFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc[nH+]1 ZINC000791592201 1278202903 /nfs/dbraw/zinc/20/29/03/1278202903.db2.gz HRQSLUOEWGQFDS-UHFFFAOYSA-N 1 2 342.355 2.529 20 5 EFBDLO COc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1O ZINC000922699871 1266613011 /nfs/dbraw/zinc/61/30/11/1266613011.db2.gz ADJUCRACDNXFCQ-UHFFFAOYSA-N 1 2 349.412 2.934 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000421897415 1264605148 /nfs/dbraw/zinc/60/51/48/1264605148.db2.gz RDDPXNZHTPSYNM-AWEZNQCLSA-N 1 2 342.399 2.965 20 5 EFBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(CO)CC2)c1 ZINC000929267167 1264614703 /nfs/dbraw/zinc/61/47/03/1264614703.db2.gz ZQORZICLLRHSBM-UHFFFAOYSA-N 1 2 329.194 2.562 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000843827797 1265062094 /nfs/dbraw/zinc/06/20/94/1265062094.db2.gz XMNJGHTUWHBHMG-NHYWBVRUSA-N 1 2 346.362 2.962 20 5 EFBDLO CC[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000132548402 1265407409 /nfs/dbraw/zinc/40/74/09/1265407409.db2.gz LVOURYQAQUHQCU-UHFFFAOYSA-N 1 2 332.360 2.634 20 5 EFBDLO CC[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000132548402 1265407418 /nfs/dbraw/zinc/40/74/18/1265407418.db2.gz LVOURYQAQUHQCU-UHFFFAOYSA-N 1 2 332.360 2.634 20 5 EFBDLO CC[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738257705 1268420571 /nfs/dbraw/zinc/42/05/71/1268420571.db2.gz XNMZVDOYNSTJBE-LBPRGKRZSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738257705 1268420576 /nfs/dbraw/zinc/42/05/76/1268420576.db2.gz XNMZVDOYNSTJBE-LBPRGKRZSA-N 1 2 331.372 2.660 20 5 EFBDLO CN(C(=O)c1ccoc1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005112392 1268871736 /nfs/dbraw/zinc/87/17/36/1268871736.db2.gz YMKLRWCRZFRKNN-UHFFFAOYSA-N 1 2 349.412 2.986 20 5 EFBDLO COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825158556 1278454420 /nfs/dbraw/zinc/45/44/20/1278454420.db2.gz PVKOLSBBMRWPKL-AWEZNQCLSA-N 1 2 349.214 2.732 20 5 EFBDLO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825158556 1278454427 /nfs/dbraw/zinc/45/44/27/1278454427.db2.gz PVKOLSBBMRWPKL-AWEZNQCLSA-N 1 2 349.214 2.732 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000740858320 1269135919 /nfs/dbraw/zinc/13/59/19/1269135919.db2.gz FELASAFBOHIUGQ-QWHCGFSZSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000740858320 1269135928 /nfs/dbraw/zinc/13/59/28/1269135928.db2.gz FELASAFBOHIUGQ-QWHCGFSZSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+]1CCOCC1 ZINC000737427977 1269463352 /nfs/dbraw/zinc/46/33/52/1269463352.db2.gz SQJQEJSLHONPJY-LLVKDONJSA-N 1 2 336.417 2.585 20 5 EFBDLO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+]1CCOCC1 ZINC000737427978 1269463503 /nfs/dbraw/zinc/46/35/03/1269463503.db2.gz SQJQEJSLHONPJY-NSHDSACASA-N 1 2 336.417 2.585 20 5 EFBDLO Cc1cccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000742238894 1269949999 /nfs/dbraw/zinc/94/99/99/1269949999.db2.gz NJDNTJXJHBZQII-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO Cc1cccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000742238894 1269950005 /nfs/dbraw/zinc/95/00/05/1269950005.db2.gz NJDNTJXJHBZQII-UHFFFAOYSA-N 1 2 341.358 2.705 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825421024 1278546279 /nfs/dbraw/zinc/54/62/79/1278546279.db2.gz BQNXCQLSOPNAQN-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO CC[C@]1(C)CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386153 1270559146 /nfs/dbraw/zinc/55/91/46/1270559146.db2.gz CSEWHUYHJWYMOS-QGZVFWFLSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@]1(C)CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386153 1270559150 /nfs/dbraw/zinc/55/91/50/1270559150.db2.gz CSEWHUYHJWYMOS-QGZVFWFLSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@@]1(C)CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386151 1270559215 /nfs/dbraw/zinc/55/92/15/1270559215.db2.gz CSEWHUYHJWYMOS-KRWDZBQOSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@@]1(C)CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386151 1270559223 /nfs/dbraw/zinc/55/92/23/1270559223.db2.gz CSEWHUYHJWYMOS-KRWDZBQOSA-N 1 2 331.372 2.660 20 5 EFBDLO CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000701700120 1270593433 /nfs/dbraw/zinc/59/34/33/1270593433.db2.gz LAUZOORSTDCGLZ-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000701700120 1270593438 /nfs/dbraw/zinc/59/34/38/1270593438.db2.gz LAUZOORSTDCGLZ-NSHDSACASA-N 1 2 329.194 2.968 20 5 EFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958792 1272554853 /nfs/dbraw/zinc/55/48/53/1272554853.db2.gz PSTBZAIIKCOJKC-BBWFWOEESA-N 1 2 348.443 2.974 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC001169003367 1272578097 /nfs/dbraw/zinc/57/80/97/1272578097.db2.gz CWQPXAOFRDPFCS-UHFFFAOYSA-N 1 2 340.339 2.684 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035260 1272598937 /nfs/dbraw/zinc/59/89/37/1272598937.db2.gz JUCMIWJXTAKCRL-SKDRFNHKSA-N 1 2 326.194 2.605 20 5 EFBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cc(Br)cnc3C2)C1 ZINC001169035260 1272598945 /nfs/dbraw/zinc/59/89/45/1272598945.db2.gz JUCMIWJXTAKCRL-SKDRFNHKSA-N 1 2 326.194 2.605 20 5 EFBDLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747074736 1278781459 /nfs/dbraw/zinc/78/14/59/1278781459.db2.gz UAEOGEXABHPBGY-CYBMUJFWSA-N 1 2 330.388 2.752 20 5 EFBDLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747074736 1278781464 /nfs/dbraw/zinc/78/14/64/1278781464.db2.gz UAEOGEXABHPBGY-CYBMUJFWSA-N 1 2 330.388 2.752 20 5 EFBDLO CCc1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000785676332 1275142999 /nfs/dbraw/zinc/14/29/99/1275142999.db2.gz SCAQKODEFCDWKZ-UHFFFAOYSA-N 1 2 342.311 2.688 20 5 EFBDLO COCC1([N@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000707155373 1275340572 /nfs/dbraw/zinc/34/05/72/1275340572.db2.gz MRJRNZHGRXDGJA-UHFFFAOYSA-N 1 2 329.194 2.968 20 5 EFBDLO COCC1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000707155373 1275340579 /nfs/dbraw/zinc/34/05/79/1275340579.db2.gz MRJRNZHGRXDGJA-UHFFFAOYSA-N 1 2 329.194 2.968 20 5 EFBDLO CC(C)C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746657793 1275702822 /nfs/dbraw/zinc/70/28/22/1275702822.db2.gz KKXAYNCRTHVGDU-UHFFFAOYSA-N 1 2 339.823 2.985 20 5 EFBDLO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170295640 1278978294 /nfs/dbraw/zinc/97/82/94/1278978294.db2.gz CXCRBIOWDBNDPG-OZVIIMIRSA-N 1 2 338.404 2.712 20 5 EFBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297768 1278981315 /nfs/dbraw/zinc/98/13/15/1278981315.db2.gz RTHAKANFNZAMAR-DOMZBBRYSA-N 1 2 338.404 2.712 20 5 EFBDLO CCCC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC001170312650 1279007537 /nfs/dbraw/zinc/00/75/37/1279007537.db2.gz GOLDJXMAYKBPEY-SWLSCSKDSA-N 1 2 338.404 2.856 20 5 EFBDLO Cc1c(Cl)cccc1N1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000789449995 1276735530 /nfs/dbraw/zinc/73/55/30/1276735530.db2.gz CDBMBDPSWMMLMJ-UHFFFAOYSA-N 1 2 349.822 2.923 20 5 EFBDLO Cc1c(Cl)cccc1N1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000789449995 1276735542 /nfs/dbraw/zinc/73/55/42/1276735542.db2.gz CDBMBDPSWMMLMJ-UHFFFAOYSA-N 1 2 349.822 2.923 20 5 EFBDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334488 1279027235 /nfs/dbraw/zinc/02/72/35/1279027235.db2.gz FOYOHZFYKCGOJO-DFHBCGBQSA-N 1 2 348.399 2.562 20 5 EFBDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334488 1279027241 /nfs/dbraw/zinc/02/72/41/1279027241.db2.gz FOYOHZFYKCGOJO-DFHBCGBQSA-N 1 2 348.399 2.562 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000821271974 1277479992 /nfs/dbraw/zinc/47/99/92/1277479992.db2.gz QSZBCUKDKVGMCX-AWEZNQCLSA-N 1 2 340.383 2.615 20 5 EFBDLO COc1c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000793169697 1279415525 /nfs/dbraw/zinc/41/55/25/1279415525.db2.gz XGUCGICASFVVKH-CQSZACIVSA-N 1 2 346.387 2.645 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793236740 1279460830 /nfs/dbraw/zinc/46/08/30/1279460830.db2.gz DNYFEPGHRUNOKY-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1c[nH+]cn1C ZINC000793242571 1279470176 /nfs/dbraw/zinc/47/01/76/1279470176.db2.gz NGLXGGQDQZLVEE-LLVKDONJSA-N 1 2 335.385 2.595 20 5 EFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000804571975 1280290400 /nfs/dbraw/zinc/29/04/00/1280290400.db2.gz QSPXAGPJPQZJRF-LLVKDONJSA-N 1 2 329.316 2.589 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805825705 1280804137 /nfs/dbraw/zinc/80/41/37/1280804137.db2.gz CNYPTKBLEQDJOX-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805825705 1280804148 /nfs/dbraw/zinc/80/41/48/1280804148.db2.gz CNYPTKBLEQDJOX-ZDUSSCGKSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805826215 1280804625 /nfs/dbraw/zinc/80/46/25/1280804625.db2.gz SKYJORFTHRUOTC-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000805826215 1280804637 /nfs/dbraw/zinc/80/46/37/1280804637.db2.gz SKYJORFTHRUOTC-CYBMUJFWSA-N 1 2 341.795 2.959 20 5 EFBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197129 1281583007 /nfs/dbraw/zinc/58/30/07/1281583007.db2.gz CDXFJJUSHZOGQM-HUUCEWRRSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197129 1281583012 /nfs/dbraw/zinc/58/30/12/1281583012.db2.gz CDXFJJUSHZOGQM-HUUCEWRRSA-N 1 2 330.388 2.927 20 5 EFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000747524523 1281875680 /nfs/dbraw/zinc/87/56/80/1281875680.db2.gz DZRXLGQCTXVPOD-UHFFFAOYSA-N 1 2 344.327 2.806 20 5 EFBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815510350 1287573411 /nfs/dbraw/zinc/57/34/11/1287573411.db2.gz SYYDTTXCSZRHED-UHFFFAOYSA-N 1 2 329.234 2.667 20 5 EFBDLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559021 1287594725 /nfs/dbraw/zinc/59/47/25/1287594725.db2.gz VDWDMLWUOPLJGM-LBPRGKRZSA-N 1 2 338.371 2.609 20 5 EFBDLO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000811483341 1284343543 /nfs/dbraw/zinc/34/35/43/1284343543.db2.gz GAJHFGHGEBDVQG-RNCFNFMXSA-N 1 2 348.230 2.710 20 5 EFBDLO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000811483341 1284343555 /nfs/dbraw/zinc/34/35/55/1284343555.db2.gz GAJHFGHGEBDVQG-RNCFNFMXSA-N 1 2 348.230 2.710 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811772558 1284586701 /nfs/dbraw/zinc/58/67/01/1284586701.db2.gz MJBQZGRGGUDQTK-MRXNPFEDSA-N 1 2 331.416 2.674 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811772558 1284586706 /nfs/dbraw/zinc/58/67/06/1284586706.db2.gz MJBQZGRGGUDQTK-MRXNPFEDSA-N 1 2 331.416 2.674 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811772556 1284587547 /nfs/dbraw/zinc/58/75/47/1284587547.db2.gz MJBQZGRGGUDQTK-INIZCTEOSA-N 1 2 331.416 2.674 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811772556 1284587555 /nfs/dbraw/zinc/58/75/55/1284587555.db2.gz MJBQZGRGGUDQTK-INIZCTEOSA-N 1 2 331.416 2.674 20 5 EFBDLO CC1(C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1[C@H]1CCCO1 ZINC000811776998 1284593303 /nfs/dbraw/zinc/59/33/03/1284593303.db2.gz GSUYXAVEFFAPFN-CVEARBPZSA-N 1 2 330.388 2.791 20 5 EFBDLO CC1(C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1[C@H]1CCCO1 ZINC000811776998 1284593308 /nfs/dbraw/zinc/59/33/08/1284593308.db2.gz GSUYXAVEFFAPFN-CVEARBPZSA-N 1 2 330.388 2.791 20 5 EFBDLO Cc1nn(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811780168 1284596623 /nfs/dbraw/zinc/59/66/23/1284596623.db2.gz VWBXKSWIGWKIPF-SECBINFHSA-N 1 2 325.319 2.583 20 5 EFBDLO Cc1nn(C[N@H+]2CCC(F)(F)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811780168 1284596629 /nfs/dbraw/zinc/59/66/29/1284596629.db2.gz VWBXKSWIGWKIPF-SECBINFHSA-N 1 2 325.319 2.583 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2c1 ZINC000811790866 1284653879 /nfs/dbraw/zinc/65/38/79/1284653879.db2.gz ONXSXUNDTRKQRH-SJORKVTESA-N 1 2 342.399 2.936 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2c1 ZINC000811790866 1284653888 /nfs/dbraw/zinc/65/38/88/1284653888.db2.gz ONXSXUNDTRKQRH-SJORKVTESA-N 1 2 342.399 2.936 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2c1 ZINC000811790861 1284653950 /nfs/dbraw/zinc/65/39/50/1284653950.db2.gz ONXSXUNDTRKQRH-DLBZAZTESA-N 1 2 342.399 2.936 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2c1 ZINC000811790861 1284653971 /nfs/dbraw/zinc/65/39/71/1284653971.db2.gz ONXSXUNDTRKQRH-DLBZAZTESA-N 1 2 342.399 2.936 20 5 EFBDLO Cc1cc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1[N+](=O)[O-] ZINC001094235522 1284866786 /nfs/dbraw/zinc/86/67/86/1284866786.db2.gz BXIPFSWVGSJDLR-UHFFFAOYSA-N 1 2 339.355 2.621 20 5 EFBDLO Cn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747784330 1285059395 /nfs/dbraw/zinc/05/93/95/1285059395.db2.gz ZCHKQEDXDHDYGS-UHFFFAOYSA-N 1 2 344.371 2.676 20 5 EFBDLO CC(C)c1nnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228856 1286482017 /nfs/dbraw/zinc/48/20/17/1286482017.db2.gz ZLMPVMCLMBVXAR-CYBMUJFWSA-N 1 2 329.404 2.757 20 5 EFBDLO CC(C)c1nnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228856 1286482022 /nfs/dbraw/zinc/48/20/22/1286482022.db2.gz ZLMPVMCLMBVXAR-CYBMUJFWSA-N 1 2 329.404 2.757 20 5 EFBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173210779 1286485919 /nfs/dbraw/zinc/48/59/19/1286485919.db2.gz NAOHCOHSSSLFGT-KSSFIOAISA-N 1 2 342.395 2.900 20 5 EFBDLO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000814937402 1287167706 /nfs/dbraw/zinc/16/77/06/1287167706.db2.gz FLWAMCKXPKOIBE-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000814937402 1287167712 /nfs/dbraw/zinc/16/77/12/1287167712.db2.gz FLWAMCKXPKOIBE-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO Cc1c(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)cccc1[N+](=O)[O-] ZINC000748046821 1287996482 /nfs/dbraw/zinc/99/64/82/1287996482.db2.gz QIDULJJXWKABKZ-GFCCVEGCSA-N 1 2 334.445 2.512 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000873007946 1289514691 /nfs/dbraw/zinc/51/46/91/1289514691.db2.gz KXNFNAXVFLDZTL-UHFFFAOYSA-N 1 2 329.404 2.819 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc(F)cc21 ZINC000795644274 1290797806 /nfs/dbraw/zinc/79/78/06/1290797806.db2.gz LMADGWQEZNFTCH-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc(F)cc21 ZINC000795644274 1290797809 /nfs/dbraw/zinc/79/78/09/1290797809.db2.gz LMADGWQEZNFTCH-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)NCc1ccco1 ZINC000876543235 1290938796 /nfs/dbraw/zinc/93/87/96/1290938796.db2.gz ILFKYRWQHYEKHN-UHFFFAOYSA-N 1 2 331.372 2.553 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000876543235 1290938800 /nfs/dbraw/zinc/93/88/00/1290938800.db2.gz ILFKYRWQHYEKHN-UHFFFAOYSA-N 1 2 331.372 2.553 20 5 EFBDLO Cc1cc(CN2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)on1 ZINC000876554837 1290940880 /nfs/dbraw/zinc/94/08/80/1290940880.db2.gz VCFZUDIGFLLKOJ-UHFFFAOYSA-N 1 2 344.415 2.826 20 5 EFBDLO Cc1nsc(N2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)n1 ZINC000876767514 1291012638 /nfs/dbraw/zinc/01/26/38/1291012638.db2.gz LOPSUPKGGDGDAA-UHFFFAOYSA-N 1 2 347.444 2.694 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CF)C1 ZINC000880293542 1292440008 /nfs/dbraw/zinc/44/00/08/1292440008.db2.gz ANFFEHQPYZBITB-ZJUUUORDSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CF)C1 ZINC000880293542 1292440016 /nfs/dbraw/zinc/44/00/16/1292440016.db2.gz ANFFEHQPYZBITB-ZJUUUORDSA-N 1 2 329.759 2.867 20 5 EFBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cscc1Br ZINC000880358912 1292464780 /nfs/dbraw/zinc/46/47/80/1292464780.db2.gz AYGVTAPMFUQUGI-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cscc1Br ZINC000880358912 1292464788 /nfs/dbraw/zinc/46/47/88/1292464788.db2.gz AYGVTAPMFUQUGI-UHFFFAOYSA-N 1 2 345.222 2.747 20 5 EFBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000881741999 1292990516 /nfs/dbraw/zinc/99/05/16/1292990516.db2.gz WEHDCYATPJFBCG-QPJJXVBHSA-N 1 2 342.374 2.964 20 5 EFBDLO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cn1nccc1[N+](=O)[O-] ZINC000101538202 1293763861 /nfs/dbraw/zinc/76/38/61/1293763861.db2.gz ZBWNOPZWYJZWHB-UHFFFAOYSA-N 1 2 341.371 2.968 20 5 EFBDLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cn1nccc1[N+](=O)[O-] ZINC000101538202 1293763868 /nfs/dbraw/zinc/76/38/68/1293763868.db2.gz ZBWNOPZWYJZWHB-UHFFFAOYSA-N 1 2 341.371 2.968 20 5 EFBDLO CCN1C[C@H](C[N@H+](C)Cc2cccnc2[N+](=O)[O-])Oc2ccccc21 ZINC000885940376 1294575576 /nfs/dbraw/zinc/57/55/76/1294575576.db2.gz HSMLOTWISBIZQW-HNNXBMFYSA-N 1 2 342.399 2.709 20 5 EFBDLO CCN1C[C@H](C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])Oc2ccccc21 ZINC000885940376 1294575583 /nfs/dbraw/zinc/57/55/83/1294575583.db2.gz HSMLOTWISBIZQW-HNNXBMFYSA-N 1 2 342.399 2.709 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)n1 ZINC001234880780 1313202683 /nfs/dbraw/zinc/20/26/83/1313202683.db2.gz HFVFIUDTIQLCRH-AWEZNQCLSA-N 1 2 340.339 2.695 20 5 EFBDLO Nc1cc2nc3ccccc3n(-c3ccn4cc[nH+]c4c3)c-2cc1=O ZINC001204998059 1313219520 /nfs/dbraw/zinc/21/95/20/1313219520.db2.gz RROCAGNWJRUFHF-UHFFFAOYSA-N 1 2 327.347 2.720 20 5 EFBDLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235861 1296812169 /nfs/dbraw/zinc/81/21/69/1296812169.db2.gz ITBRYSPDQPPHDD-TZMCWYRMSA-N 1 2 343.387 2.588 20 5 EFBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851767994 1299382545 /nfs/dbraw/zinc/38/25/45/1299382545.db2.gz IWCFVFRLPONBHA-OAHLLOKOSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851767994 1299382555 /nfs/dbraw/zinc/38/25/55/1299382555.db2.gz IWCFVFRLPONBHA-OAHLLOKOSA-N 1 2 335.379 2.711 20 5 EFBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000852306776 1299645202 /nfs/dbraw/zinc/64/52/02/1299645202.db2.gz RIVFATSYLNUBDE-IUODEOHRSA-N 1 2 338.404 2.680 20 5 EFBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000852306776 1299645210 /nfs/dbraw/zinc/64/52/10/1299645210.db2.gz RIVFATSYLNUBDE-IUODEOHRSA-N 1 2 338.404 2.680 20 5 EFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(C(F)F)CC2)nc1-c1ccccn1 ZINC000853503360 1300141154 /nfs/dbraw/zinc/14/11/54/1300141154.db2.gz RKRXHVJFUNTKKE-UHFFFAOYSA-N 1 2 337.330 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000853582386 1300177039 /nfs/dbraw/zinc/17/70/39/1300177039.db2.gz MOZQONUJHJWDMN-UHFFFAOYSA-N 1 2 342.399 2.793 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000853582386 1300177046 /nfs/dbraw/zinc/17/70/46/1300177046.db2.gz MOZQONUJHJWDMN-UHFFFAOYSA-N 1 2 342.399 2.793 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)c2c1 ZINC000853582894 1300177995 /nfs/dbraw/zinc/17/79/95/1300177995.db2.gz VDSPHMWUIARNNV-UHFFFAOYSA-N 1 2 342.399 2.793 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)c2c1 ZINC000853582894 1300178001 /nfs/dbraw/zinc/17/80/01/1300178001.db2.gz VDSPHMWUIARNNV-UHFFFAOYSA-N 1 2 342.399 2.793 20 5 EFBDLO CCOc1cc(N2CC[NH+](C/C=C\Cl)CC2)ccc1[N+](=O)[O-] ZINC000796466103 1301960787 /nfs/dbraw/zinc/96/07/87/1301960787.db2.gz PPFYRPYTMDSRMJ-UTCJRWHESA-N 1 2 325.796 2.868 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000862211840 1302306919 /nfs/dbraw/zinc/30/69/19/1302306919.db2.gz MDAKNWVYVRHZSC-UHFFFAOYSA-N 1 2 328.372 2.782 20 5 EFBDLO C[C@H]([N@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)(C)C ZINC000794616353 1302858651 /nfs/dbraw/zinc/85/86/51/1302858651.db2.gz FYCXLFOPIOXTCR-NSHDSACASA-N 1 2 334.376 2.735 20 5 EFBDLO C[C@H]([N@@H+](C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)(C)C ZINC000794616353 1302858663 /nfs/dbraw/zinc/85/86/63/1302858663.db2.gz FYCXLFOPIOXTCR-NSHDSACASA-N 1 2 334.376 2.735 20 5 EFBDLO C[N@H+](CCc1ccccc1F)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794627274 1302869000 /nfs/dbraw/zinc/86/90/00/1302869000.db2.gz CCIQOXMWKBOBTA-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO C[N@@H+](CCc1ccccc1F)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794627274 1302869013 /nfs/dbraw/zinc/86/90/13/1302869013.db2.gz CCIQOXMWKBOBTA-UHFFFAOYSA-N 1 2 345.330 2.774 20 5 EFBDLO C[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC12CCC2 ZINC000794638206 1302882537 /nfs/dbraw/zinc/88/25/37/1302882537.db2.gz BBOYLGLMIIMVOI-LBPRGKRZSA-N 1 2 331.372 2.972 20 5 EFBDLO C[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC12CCC2 ZINC000794638206 1302882547 /nfs/dbraw/zinc/88/25/47/1302882547.db2.gz BBOYLGLMIIMVOI-LBPRGKRZSA-N 1 2 331.372 2.972 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C2CC2)O1 ZINC000794653159 1302903075 /nfs/dbraw/zinc/90/30/75/1302903075.db2.gz CDDMTJAXMWYYGT-UGSOOPFHSA-N 1 2 342.399 2.915 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C2CC2)O1 ZINC000794653159 1302903086 /nfs/dbraw/zinc/90/30/86/1302903086.db2.gz CDDMTJAXMWYYGT-UGSOOPFHSA-N 1 2 342.399 2.915 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864986697 1303113134 /nfs/dbraw/zinc/11/31/34/1303113134.db2.gz USKNZDGILZWVMO-AWEZNQCLSA-N 1 2 348.378 2.704 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000123411588 1305715464 /nfs/dbraw/zinc/71/54/64/1305715464.db2.gz ZGEXYNVEPQUZLU-UHFFFAOYSA-N 1 2 328.372 2.874 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC2(F)F)ccc1Br ZINC001218007490 1315132336 /nfs/dbraw/zinc/13/23/36/1315132336.db2.gz YAZUVOIQAGMNCQ-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000800865489 1308572536 /nfs/dbraw/zinc/57/25/36/1308572536.db2.gz DQCXGBNLOMKYEX-IRXDYDNUSA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000800865489 1308572537 /nfs/dbraw/zinc/57/25/37/1308572537.db2.gz DQCXGBNLOMKYEX-IRXDYDNUSA-N 1 2 331.416 2.818 20 5 EFBDLO Cn1c[nH+]cc1COC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001222599811 1311157971 /nfs/dbraw/zinc/15/79/71/1311157971.db2.gz GBEXIFLCJGZELO-UHFFFAOYSA-N 1 2 334.351 2.653 20 5 EFBDLO C[C@H](Oc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225592010 1311549449 /nfs/dbraw/zinc/54/94/49/1311549449.db2.gz BBQFYGPWLFGCMV-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225592010 1311549452 /nfs/dbraw/zinc/54/94/52/1311549452.db2.gz BBQFYGPWLFGCMV-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001225606312 1311552456 /nfs/dbraw/zinc/55/24/56/1311552456.db2.gz MDWKPQOXDXBPFC-LBPRGKRZSA-N 1 2 327.178 2.830 20 5 EFBDLO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225630087 1311556475 /nfs/dbraw/zinc/55/64/75/1311556475.db2.gz VRMWHTZWVQOAAX-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225630087 1311556477 /nfs/dbraw/zinc/55/64/77/1311556477.db2.gz VRMWHTZWVQOAAX-YOEHRIQHSA-N 1 2 343.383 2.658 20 5 EFBDLO CC(C)(C)[NH+]1CC(Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225746245 1311571784 /nfs/dbraw/zinc/57/17/84/1311571784.db2.gz FWLWUKGMGSOZFX-UHFFFAOYSA-N 1 2 330.182 2.614 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)c(Br)cc1F ZINC001225757311 1311573589 /nfs/dbraw/zinc/57/35/89/1311573589.db2.gz OSFDUTJGZLMZED-CYBMUJFWSA-N 1 2 345.168 2.969 20 5 EFBDLO C[N@@H+]1CCO[C@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973358 1311596367 /nfs/dbraw/zinc/59/63/67/1311596367.db2.gz QHMGXNDTNJFISO-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@H+]1CCO[C@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973358 1311596370 /nfs/dbraw/zinc/59/63/70/1311596370.db2.gz QHMGXNDTNJFISO-SFHVURJKSA-N 1 2 328.368 2.971 20 5 EFBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)[C@H]1CC(=O)C2 ZINC001226195916 1311628357 /nfs/dbraw/zinc/62/83/57/1311628357.db2.gz MUODWODLARXSIX-DSBAHLMNSA-N 1 2 328.727 2.570 20 5 EFBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)[C@H]1CC(=O)C2 ZINC001226195916 1311628361 /nfs/dbraw/zinc/62/83/61/1311628361.db2.gz MUODWODLARXSIX-DSBAHLMNSA-N 1 2 328.727 2.570 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc1Cl ZINC001160724268 1311768751 /nfs/dbraw/zinc/76/87/51/1311768751.db2.gz PHTCEZBCGIFKTJ-NWDGAFQWSA-N 1 2 340.811 2.617 20 5 EFBDLO O=C(C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccn2)CC1)c1ccccc1 ZINC001161144677 1311869408 /nfs/dbraw/zinc/86/94/08/1311869408.db2.gz PUDSEQJXTFAVTE-UHFFFAOYSA-N 1 2 340.383 2.749 20 5 EFBDLO Nc1cc2nc3ccccc3n(-c3cccc4[nH]c[nH+]c43)c-2cc1=O ZINC001213033461 1311898558 /nfs/dbraw/zinc/89/85/58/1311898558.db2.gz ICLYQYXMLWOTAV-UHFFFAOYSA-N 1 2 327.347 2.949 20 5 EFBDLO O=[N+]([O-])c1cnc(NCc2c[nH+]cn2CC2CCC2)c([N+](=O)[O-])c1 ZINC001161531011 1311908832 /nfs/dbraw/zinc/90/88/32/1311908832.db2.gz DEOVEHATGBXQCI-UHFFFAOYSA-N 1 2 332.320 2.507 20 5 EFBDLO CC[N@@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228860007 1312011317 /nfs/dbraw/zinc/01/13/17/1312011317.db2.gz QMAVCEIVHVSXST-QMMMGPOBSA-N 1 2 335.282 2.577 20 5 EFBDLO CC[N@H+]1CCC[C@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228860007 1312011319 /nfs/dbraw/zinc/01/13/19/1312011319.db2.gz QMAVCEIVHVSXST-QMMMGPOBSA-N 1 2 335.282 2.577 20 5 EFBDLO CC[NH+]1CCC(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])CC1 ZINC001228861058 1312011858 /nfs/dbraw/zinc/01/18/58/1312011858.db2.gz AAPCZNBZYYTGCT-UHFFFAOYSA-N 1 2 335.282 2.577 20 5 EFBDLO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228880912 1312014988 /nfs/dbraw/zinc/01/49/88/1312014988.db2.gz ZUVSSWKITSVKLK-RDTXWAMCSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228880912 1312014992 /nfs/dbraw/zinc/01/49/92/1312014992.db2.gz ZUVSSWKITSVKLK-RDTXWAMCSA-N 1 2 343.383 2.658 20 5 EFBDLO CC(F)(F)CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001229037726 1312040201 /nfs/dbraw/zinc/04/02/01/1312040201.db2.gz OXHNFANKBPGEFQ-UHFFFAOYSA-N 1 2 347.387 2.782 20 5 EFBDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001162221358 1312070810 /nfs/dbraw/zinc/07/08/10/1312070810.db2.gz KQKOQVPIYFBMRG-UHFFFAOYSA-N 1 2 334.754 2.765 20 5 EFBDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001162221867 1312070805 /nfs/dbraw/zinc/07/08/05/1312070805.db2.gz VRINAEUIGROXGO-UHFFFAOYSA-N 1 2 334.754 2.765 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(OC3C[NH+](Cc4ccccc4)C3)nc2c1 ZINC001229484373 1312103340 /nfs/dbraw/zinc/10/33/40/1312103340.db2.gz LGIRHEWNBWMSSB-UHFFFAOYSA-N 1 2 325.324 2.999 20 5 EFBDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001162877672 1312195328 /nfs/dbraw/zinc/19/53/28/1312195328.db2.gz MJIKDAGNGJWCKR-LBPRGKRZSA-N 1 2 342.827 2.802 20 5 EFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn(C)nn1 ZINC000902977162 1312255344 /nfs/dbraw/zinc/25/53/44/1312255344.db2.gz WPFQZZHSAQUCRI-QMMMGPOBSA-N 1 2 329.282 2.593 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn(C)nn1 ZINC000902977161 1312255417 /nfs/dbraw/zinc/25/54/17/1312255417.db2.gz WPFQZZHSAQUCRI-MRVPVSSYSA-N 1 2 329.282 2.593 20 5 EFBDLO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001230684137 1312311537 /nfs/dbraw/zinc/31/15/37/1312311537.db2.gz IRYWWNGDXQEQMH-NSHDSACASA-N 1 2 345.168 2.969 20 5 EFBDLO Cc1cc[nH+]c(N2CCC(Oc3nc(C)cc(O)c3[N+](=O)[O-])CC2)c1 ZINC001231264903 1312468002 /nfs/dbraw/zinc/46/80/02/1312468002.db2.gz VRVAFNAMFRUDJV-UHFFFAOYSA-N 1 2 344.371 2.755 20 5 EFBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220693 1312651871 /nfs/dbraw/zinc/65/18/71/1312651871.db2.gz BGBYHZJEXFJGAS-UHFFFAOYSA-N 1 2 346.434 2.837 20 5 EFBDLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248227162 1314908649 /nfs/dbraw/zinc/90/86/49/1314908649.db2.gz JGPXWUOYRNOFAF-OAHLLOKOSA-N 1 2 347.378 2.836 20 5 EFBDLO C[N@H+]1CCO[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001248227162 1314908651 /nfs/dbraw/zinc/90/86/51/1314908651.db2.gz JGPXWUOYRNOFAF-OAHLLOKOSA-N 1 2 347.378 2.836 20 5 EFBDLO [NH3+][C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccc(Cl)cc1 ZINC001248998312 1315009987 /nfs/dbraw/zinc/00/99/87/1315009987.db2.gz KZFQQLPDLCXFIO-LLVKDONJSA-N 1 2 349.709 2.880 20 5 EFBDLO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1C(F)(F)F ZINC001218006127 1315131691 /nfs/dbraw/zinc/13/16/91/1315131691.db2.gz KAJZWJVDHZFAGT-JTQLQIEISA-N 1 2 326.221 2.990 20 5 EFBDLO O=[N+]([O-])c1cc2nc(O[C@H]3CC[NH2+]CC3(F)F)[nH]c2cc1Cl ZINC001218012072 1315133216 /nfs/dbraw/zinc/13/32/16/1315133216.db2.gz LRRQRYWZFCEQKX-JTQLQIEISA-N 1 2 332.694 2.501 20 5 EFBDLO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC2(F)F)cc(C(F)(F)F)c1 ZINC001218009886 1315133236 /nfs/dbraw/zinc/13/32/36/1315133236.db2.gz JXWIYMQPUNAMKY-SNVBAGLBSA-N 1 2 326.221 2.990 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001218174413 1315159367 /nfs/dbraw/zinc/15/93/67/1315159367.db2.gz BCGWSDDCCKGVNM-IRXDYDNUSA-N 1 2 342.351 2.544 20 5 EFBDLO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH2+]CC3(F)F)ccc12 ZINC001218234976 1315168367 /nfs/dbraw/zinc/16/83/67/1315168367.db2.gz IQTFHJNNZNPLKB-HNNXBMFYSA-N 1 2 333.290 2.638 20 5 EFBDLO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218236767 1315168897 /nfs/dbraw/zinc/16/88/97/1315168897.db2.gz KMRXTYQXDJCSMD-NSHDSACASA-N 1 2 345.302 2.786 20 5 EFBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218347804 1315183002 /nfs/dbraw/zinc/18/30/02/1315183002.db2.gz WVNLZABSXDAFAO-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533243 1315720125 /nfs/dbraw/zinc/72/01/25/1315720125.db2.gz YUHSMYOYCMPDQR-PBHICJAKSA-N 1 2 342.395 2.900 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001254550611 1315722724 /nfs/dbraw/zinc/72/27/24/1315722724.db2.gz NDLLBZPOIIBSMK-CQSZACIVSA-N 1 2 343.383 2.577 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001254557777 1315723469 /nfs/dbraw/zinc/72/34/69/1315723469.db2.gz AOEMNVMMFJLLJC-GFCCVEGCSA-N 1 2 325.359 2.551 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC001254562675 1315724210 /nfs/dbraw/zinc/72/42/10/1315724210.db2.gz OLAUWHYSBYOAMW-HNNXBMFYSA-N 1 2 329.400 2.937 20 5 EFBDLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579439 1315726397 /nfs/dbraw/zinc/72/63/97/1315726397.db2.gz SIGRWDSILFTQFT-WBVHZDCISA-N 1 2 332.400 2.774 20 5 EFBDLO C[N@H+](CC(=O)OCc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606583 1315730145 /nfs/dbraw/zinc/73/01/45/1315730145.db2.gz GPWIEAKYIULZPS-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO C[N@@H+](CC(=O)OCc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606583 1315730149 /nfs/dbraw/zinc/73/01/49/1315730149.db2.gz GPWIEAKYIULZPS-GOSISDBHSA-N 1 2 340.379 2.737 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039496074 1315843372 /nfs/dbraw/zinc/84/33/72/1315843372.db2.gz NCAFQHIVCWJEPE-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039496074 1315843376 /nfs/dbraw/zinc/84/33/76/1315843376.db2.gz NCAFQHIVCWJEPE-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(c1ccoc1)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072467057 1316388672 /nfs/dbraw/zinc/38/86/72/1316388672.db2.gz XYXNYZMZYWFRNS-UHFFFAOYSA-N 1 2 347.396 2.597 20 5 EFBDLO O=C(c1ccoc1)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072467057 1316388673 /nfs/dbraw/zinc/38/86/73/1316388673.db2.gz XYXNYZMZYWFRNS-UHFFFAOYSA-N 1 2 347.396 2.597 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1F ZINC001262832824 1316494617 /nfs/dbraw/zinc/49/46/17/1316494617.db2.gz DIXFPIBZMDIQAD-UHFFFAOYSA-N 1 2 346.362 2.796 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)OCCc1cn2c([nH+]1)CCCC2 ZINC001263500624 1316546746 /nfs/dbraw/zinc/54/67/46/1316546746.db2.gz PVHMYCIDIKQISD-UHFFFAOYSA-N 1 2 343.383 2.846 20 5 EFBDLO Cc1cc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1-n1cncn1 ZINC001319719359 1328962850 /nfs/dbraw/zinc/96/28/50/1328962850.db2.gz ZEWLLOJHORSPDT-UHFFFAOYSA-N 1 2 335.367 3.000 20 5 EFBDLO Cc1cc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1-n1cncn1 ZINC001319719359 1328962852 /nfs/dbraw/zinc/96/28/52/1328962852.db2.gz ZEWLLOJHORSPDT-UHFFFAOYSA-N 1 2 335.367 3.000 20 5 EFBDLO C[C@@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)n1cc[nH+]c1 ZINC001320209818 1329104016 /nfs/dbraw/zinc/10/40/16/1329104016.db2.gz LZFMNCABUCYEST-JTQLQIEISA-N 1 2 338.327 2.856 20 5 EFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)[nH+]c1C ZINC001321426585 1329385509 /nfs/dbraw/zinc/38/55/09/1329385509.db2.gz KHOSKVIPGUMLPA-UHFFFAOYSA-N 1 2 326.316 2.577 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nnc(-c3cccnc3)o2)ccc1-n1cc[nH+]c1 ZINC001322262710 1329442189 /nfs/dbraw/zinc/44/21/89/1329442189.db2.gz OBSQZBXYXKAOFS-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO CCCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001323716238 1329564328 /nfs/dbraw/zinc/56/43/28/1329564328.db2.gz WOEFOMAKABGBBV-UHFFFAOYSA-N 1 2 340.445 2.881 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001325412375 1329686358 /nfs/dbraw/zinc/68/63/58/1329686358.db2.gz YOMXHWVMUCFRGE-UKRRQHHQSA-N 1 2 328.372 2.759 20 5 EFBDLO C[C@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001335431931 1331346664 /nfs/dbraw/zinc/34/66/64/1331346664.db2.gz JMBHFGQTLGUIHY-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO C[C@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001335431931 1331346667 /nfs/dbraw/zinc/34/66/67/1331346667.db2.gz JMBHFGQTLGUIHY-AWEZNQCLSA-N 1 2 343.221 2.952 20 5 EFBDLO CC(C)(CCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC001337376428 1331567065 /nfs/dbraw/zinc/56/70/65/1331567065.db2.gz HNCJAAJLPWJRKN-AWEZNQCLSA-N 1 2 339.823 2.648 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001337892488 1331609430 /nfs/dbraw/zinc/60/94/30/1331609430.db2.gz MGPKGBBTGVYDQY-UHFFFAOYSA-N 1 2 328.372 2.657 20 5 EFBDLO C[C@H](C(=O)N1CCC(c2c[nH+]cn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001341080370 1332232639 /nfs/dbraw/zinc/23/26/39/1332232639.db2.gz NAGDAFKDRQVWQT-ZDUSSCGKSA-N 1 2 342.399 2.838 20 5 EFBDLO C[C@@H](C(=O)OCCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1F ZINC001343738154 1332374960 /nfs/dbraw/zinc/37/49/60/1332374960.db2.gz HDZFNDWANRRYOY-LLVKDONJSA-N 1 2 335.335 2.747 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001346226474 1332614107 /nfs/dbraw/zinc/61/41/07/1332614107.db2.gz KOEZBBWBWSBOCN-UHFFFAOYSA-N 1 2 335.385 2.596 20 5 EFBDLO CSc1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001346227155 1332614228 /nfs/dbraw/zinc/61/42/28/1332614228.db2.gz RAVOAQJBLRBSSD-UHFFFAOYSA-N 1 2 335.385 2.840 20 5 EFBDLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001347279128 1332730997 /nfs/dbraw/zinc/73/09/97/1332730997.db2.gz PYCFBICSUZKQEB-MRXNPFEDSA-N 1 2 343.358 2.829 20 5 EFBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609737 1332853027 /nfs/dbraw/zinc/85/30/27/1332853027.db2.gz XPWKSBWIZGIPTR-CQSZACIVSA-N 1 2 332.360 2.655 20 5 EFBDLO CC[N@H+]1CCO[C@@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609737 1332853031 /nfs/dbraw/zinc/85/30/31/1332853031.db2.gz XPWKSBWIZGIPTR-CQSZACIVSA-N 1 2 332.360 2.655 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001348677348 1332858886 /nfs/dbraw/zinc/85/88/86/1332858886.db2.gz DHJLDRUCPXTGLW-UHFFFAOYSA-N 1 2 342.399 2.667 20 5 EFBDLO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001354265675 1334202309 /nfs/dbraw/zinc/20/23/09/1334202309.db2.gz ACBNIMNEEZIBFW-YGRLFVJLSA-N 1 2 328.363 2.579 20 5 EFBDLO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001354265675 1334202311 /nfs/dbraw/zinc/20/23/11/1334202311.db2.gz ACBNIMNEEZIBFW-YGRLFVJLSA-N 1 2 328.363 2.579 20 5 EFBDLO Cc1c(Br)c(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC000165714768 1422230524 /nfs/dbraw/zinc/23/05/24/1422230524.db2.gz LUVMCIZCTARBHP-JTQLQIEISA-N 1 2 341.209 2.567 20 5 EFBDLO Cc1c(Br)c(N[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC000165714646 1422230677 /nfs/dbraw/zinc/23/06/77/1422230677.db2.gz LUVMCIZCTARBHP-SNVBAGLBSA-N 1 2 341.209 2.567 20 5 EFBDLO CSCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000134227342 714216483 /nfs/dbraw/zinc/21/64/83/714216483.db2.gz XRJIWEYUNBTSJM-NSHDSACASA-N 1 2 334.401 2.652 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980708667 717603862 /nfs/dbraw/zinc/60/38/62/717603862.db2.gz YYUPHJXPBMJXAW-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1ccoc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980708667 717603863 /nfs/dbraw/zinc/60/38/63/717603863.db2.gz YYUPHJXPBMJXAW-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892668286 718411966 /nfs/dbraw/zinc/41/19/66/718411966.db2.gz FUFQJDLTLOFOFI-OLZOCXBDSA-N 1 2 337.420 2.519 20 5 EFBDLO O=C(N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(F)CCCC1 ZINC000981510576 718771960 /nfs/dbraw/zinc/77/19/60/718771960.db2.gz UTYGRPFHNIFALM-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO O=C(N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(F)CCCC1 ZINC000981510576 718771961 /nfs/dbraw/zinc/77/19/61/718771961.db2.gz UTYGRPFHNIFALM-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO CC(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981629299 718906697 /nfs/dbraw/zinc/90/66/97/718906697.db2.gz VAYONAFHMSYPEW-UHFFFAOYSA-N 1 2 337.445 2.737 20 5 EFBDLO CC(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981629299 718906699 /nfs/dbraw/zinc/90/66/99/718906699.db2.gz VAYONAFHMSYPEW-UHFFFAOYSA-N 1 2 337.445 2.737 20 5 EFBDLO CSc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000893939087 720170715 /nfs/dbraw/zinc/17/07/15/720170715.db2.gz GYWCSVBNMUFERO-UHFFFAOYSA-N 1 2 334.401 2.627 20 5 EFBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1cnn(C)c1 ZINC000312334288 720429759 /nfs/dbraw/zinc/42/97/59/720429759.db2.gz FHSHAGFZWVHZPG-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1cnn(C)c1 ZINC000312334290 720429780 /nfs/dbraw/zinc/42/97/80/720429780.db2.gz FHSHAGFZWVHZPG-VIFPVBQESA-N 1 2 339.193 2.942 20 5 EFBDLO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000312870912 721268746 /nfs/dbraw/zinc/26/87/46/721268746.db2.gz SWWIMPQBQIYCKS-LBPRGKRZSA-N 1 2 343.221 2.950 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000312870912 721268748 /nfs/dbraw/zinc/26/87/48/721268748.db2.gz SWWIMPQBQIYCKS-LBPRGKRZSA-N 1 2 343.221 2.950 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029185647 723022834 /nfs/dbraw/zinc/02/28/34/723022834.db2.gz HASRQVRVLSCRHI-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029185647 723022838 /nfs/dbraw/zinc/02/28/38/723022838.db2.gz HASRQVRVLSCRHI-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029211779 723088939 /nfs/dbraw/zinc/08/89/39/723088939.db2.gz RHDJIIVRUASJSV-CALCHBBNSA-N 1 2 341.367 2.677 20 5 EFBDLO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029211779 723088942 /nfs/dbraw/zinc/08/89/42/723088942.db2.gz RHDJIIVRUASJSV-CALCHBBNSA-N 1 2 341.367 2.677 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4cn[nH]c4)CC3)nc2c1 ZINC000444603811 728789930 /nfs/dbraw/zinc/78/99/30/728789930.db2.gz XKKVGWVWKBSFPU-UHFFFAOYSA-N 1 2 326.360 2.574 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000896151498 723162068 /nfs/dbraw/zinc/16/20/68/723162068.db2.gz FEPNWFWRDDXAED-AWEZNQCLSA-N 1 2 328.372 2.885 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444656803 728807722 /nfs/dbraw/zinc/80/77/22/728807722.db2.gz IDIYRWWUMNCYHR-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO CCC(=O)c1ccc(N2CCc3c([nH+]cn3CC)C2)c([N+](=O)[O-])c1 ZINC000896660790 723421768 /nfs/dbraw/zinc/42/17/68/723421768.db2.gz UGQCLVQWKZJALG-UHFFFAOYSA-N 1 2 328.372 2.967 20 5 EFBDLO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895249724 723938300 /nfs/dbraw/zinc/93/83/00/723938300.db2.gz VADKNPQETWQUDN-ZWNOBZJWSA-N 1 2 346.353 2.660 20 5 EFBDLO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895249724 723938305 /nfs/dbraw/zinc/93/83/05/723938305.db2.gz VADKNPQETWQUDN-ZWNOBZJWSA-N 1 2 346.353 2.660 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728543077 724084715 /nfs/dbraw/zinc/08/47/15/724084715.db2.gz UVQPXWWIBUJPRM-CDVVCGDMSA-N 1 2 326.356 2.668 20 5 EFBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000895801138 724323564 /nfs/dbraw/zinc/32/35/64/724323564.db2.gz KTPUHMZPKAARDV-JTQLQIEISA-N 1 2 348.325 2.531 20 5 EFBDLO CCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000740875037 726100363 /nfs/dbraw/zinc/10/03/63/726100363.db2.gz ZRBHWWRMCPIIFJ-UHFFFAOYSA-N 1 2 325.434 2.994 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000732809242 727240381 /nfs/dbraw/zinc/24/03/81/727240381.db2.gz SOKNSQDWBXRYOY-ZDUSSCGKSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000732809242 727240382 /nfs/dbraw/zinc/24/03/82/727240382.db2.gz SOKNSQDWBXRYOY-ZDUSSCGKSA-N 1 2 335.379 2.711 20 5 EFBDLO Cn1c[nH+]cc1CCC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653166 727732903 /nfs/dbraw/zinc/73/29/03/727732903.db2.gz OEFHUFOHKDUVHN-UHFFFAOYSA-N 1 2 328.372 2.630 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000917429032 727807351 /nfs/dbraw/zinc/80/73/51/727807351.db2.gz GVXFJTNPLIJANZ-CYBMUJFWSA-N 1 2 336.779 2.946 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000917429032 727807354 /nfs/dbraw/zinc/80/73/54/727807354.db2.gz GVXFJTNPLIJANZ-CYBMUJFWSA-N 1 2 336.779 2.946 20 5 EFBDLO CC(C)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173483547 728627893 /nfs/dbraw/zinc/62/78/93/728627893.db2.gz QNMFYIIXNBCPGF-HNNXBMFYSA-N 1 2 347.444 2.884 20 5 EFBDLO CC(C)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173483547 728627896 /nfs/dbraw/zinc/62/78/96/728627896.db2.gz QNMFYIIXNBCPGF-HNNXBMFYSA-N 1 2 347.444 2.884 20 5 EFBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173511520 728628535 /nfs/dbraw/zinc/62/85/35/728628535.db2.gz KRZVEFYIMCCKEJ-CYBMUJFWSA-N 1 2 333.417 2.638 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000173511520 728628536 /nfs/dbraw/zinc/62/85/36/728628536.db2.gz KRZVEFYIMCCKEJ-CYBMUJFWSA-N 1 2 333.417 2.638 20 5 EFBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)o1 ZINC001031550815 728963294 /nfs/dbraw/zinc/96/32/94/728963294.db2.gz IOXJJQBQMJKHAN-UHFFFAOYSA-N 1 2 349.774 2.703 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000801519766 729524283 /nfs/dbraw/zinc/52/42/83/729524283.db2.gz WBXMQCGELDKQBK-GJZGRUSLSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000801519766 729524286 /nfs/dbraw/zinc/52/42/86/729524286.db2.gz WBXMQCGELDKQBK-GJZGRUSLSA-N 1 2 337.395 2.955 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000905332714 1103099933 /nfs/dbraw/zinc/09/99/33/1103099933.db2.gz JGSOVHCPEFGYIG-UHFFFAOYSA-N 1 2 328.372 2.757 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000905733182 1103569272 /nfs/dbraw/zinc/56/92/72/1103569272.db2.gz SYEPSEOKHHTUSP-NSHDSACASA-N 1 2 333.417 2.574 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000905733182 1103569281 /nfs/dbraw/zinc/56/92/81/1103569281.db2.gz SYEPSEOKHHTUSP-NSHDSACASA-N 1 2 333.417 2.574 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677410 1103747186 /nfs/dbraw/zinc/74/71/86/1103747186.db2.gz LWISMSILRGZGOK-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677410 1103747200 /nfs/dbraw/zinc/74/72/00/1103747200.db2.gz LWISMSILRGZGOK-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000906635084 1104414029 /nfs/dbraw/zinc/41/40/29/1104414029.db2.gz DTPWCPRUNJJWNO-UHFFFAOYSA-N 1 2 329.356 2.724 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369763 1108098106 /nfs/dbraw/zinc/09/81/06/1108098106.db2.gz LSKBLUFSJLDRHQ-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369763 1108098121 /nfs/dbraw/zinc/09/81/21/1108098121.db2.gz LSKBLUFSJLDRHQ-LLVKDONJSA-N 1 2 345.321 2.889 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3ccncc3)no2)cc1-n1cc[nH+]c1 ZINC000904935455 1108296310 /nfs/dbraw/zinc/29/63/10/1108296310.db2.gz ZIVWTJQDDCPXSI-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000436104470 1110125611 /nfs/dbraw/zinc/12/56/11/1110125611.db2.gz OECJNDGXJSKHDA-NSHDSACASA-N 1 2 347.350 2.879 20 5 EFBDLO COC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000053920400 214204556 /nfs/dbraw/zinc/20/45/56/214204556.db2.gz ZBGIUGFVEZCLFR-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000055053227 214268143 /nfs/dbraw/zinc/26/81/43/214268143.db2.gz NPWSYDLLNDNOEF-UHFFFAOYSA-N 1 2 333.344 2.575 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000055053227 214268145 /nfs/dbraw/zinc/26/81/45/214268145.db2.gz NPWSYDLLNDNOEF-UHFFFAOYSA-N 1 2 333.344 2.575 20 5 EFBDLO CC[C@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929008 529395543 /nfs/dbraw/zinc/39/55/43/529395543.db2.gz WAHLVSYNZJMSMG-MRXNPFEDSA-N 1 2 340.445 2.881 20 5 EFBDLO CC[C@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929008 529395544 /nfs/dbraw/zinc/39/55/44/529395544.db2.gz WAHLVSYNZJMSMG-MRXNPFEDSA-N 1 2 340.445 2.881 20 5 EFBDLO CCc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174244624 231158463 /nfs/dbraw/zinc/15/84/63/231158463.db2.gz NEMPTNDJXSPYJY-UHFFFAOYSA-N 1 2 332.360 2.584 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864959 219168504 /nfs/dbraw/zinc/16/85/04/219168504.db2.gz VVAGGJCOIJUUDC-ZZXKWVIFSA-N 1 2 326.356 2.668 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000179557295 233164905 /nfs/dbraw/zinc/16/49/05/233164905.db2.gz MTORQYGKSLEAAC-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO Cc1nc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000183699805 235201236 /nfs/dbraw/zinc/20/12/36/235201236.db2.gz DSZWJYBOAPBRQJ-UHFFFAOYSA-N 1 2 343.343 2.616 20 5 EFBDLO Cc1nc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000183699805 235201238 /nfs/dbraw/zinc/20/12/38/235201238.db2.gz DSZWJYBOAPBRQJ-UHFFFAOYSA-N 1 2 343.343 2.616 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000072292993 216128884 /nfs/dbraw/zinc/12/88/84/216128884.db2.gz PLIYEUUEPQVPCP-LLVKDONJSA-N 1 2 334.401 2.579 20 5 EFBDLO Cc1c(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000130145722 223126657 /nfs/dbraw/zinc/12/66/57/223126657.db2.gz MOWINPXINUIVPZ-DYVFJYSZSA-N 1 2 342.399 2.752 20 5 EFBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130748962 223173815 /nfs/dbraw/zinc/17/38/15/223173815.db2.gz HIGFPPIKNAHMPT-OAHLLOKOSA-N 1 2 343.387 2.710 20 5 EFBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130748962 223173816 /nfs/dbraw/zinc/17/38/16/223173816.db2.gz HIGFPPIKNAHMPT-OAHLLOKOSA-N 1 2 343.387 2.710 20 5 EFBDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131253078 223217254 /nfs/dbraw/zinc/21/72/54/223217254.db2.gz ZRYGNXJDOGOBBW-CYBMUJFWSA-N 1 2 331.416 2.790 20 5 EFBDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131253078 223217257 /nfs/dbraw/zinc/21/72/57/223217257.db2.gz ZRYGNXJDOGOBBW-CYBMUJFWSA-N 1 2 331.416 2.790 20 5 EFBDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072836269 216314157 /nfs/dbraw/zinc/31/41/57/216314157.db2.gz GQCQEIKRPNLDSG-WFASDCNBSA-N 1 2 337.445 2.995 20 5 EFBDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072836269 216314158 /nfs/dbraw/zinc/31/41/58/216314158.db2.gz GQCQEIKRPNLDSG-WFASDCNBSA-N 1 2 337.445 2.995 20 5 EFBDLO Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH+]1 ZINC000191513956 239158405 /nfs/dbraw/zinc/15/84/05/239158405.db2.gz MHMFUZFOTNBEJE-UHFFFAOYSA-N 1 2 342.355 2.902 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132481738 223334874 /nfs/dbraw/zinc/33/48/74/223334874.db2.gz BPCJYPUGPFRDHF-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO CCCCc1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000194111971 240138406 /nfs/dbraw/zinc/13/84/06/240138406.db2.gz GTHPIRQCXDKJCV-UHFFFAOYSA-N 1 2 342.359 2.649 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1O ZINC000193792646 240310902 /nfs/dbraw/zinc/31/09/02/240310902.db2.gz RFIHLUAWSRPQHJ-UHFFFAOYSA-N 1 2 347.327 2.849 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1O ZINC000193792646 240310907 /nfs/dbraw/zinc/31/09/07/240310907.db2.gz RFIHLUAWSRPQHJ-UHFFFAOYSA-N 1 2 347.327 2.849 20 5 EFBDLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000229718887 242193993 /nfs/dbraw/zinc/19/39/93/242193993.db2.gz MQWSFTZAAFHTRR-NWDGAFQWSA-N 1 2 346.391 2.744 20 5 EFBDLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000229718887 242193996 /nfs/dbraw/zinc/19/39/96/242193996.db2.gz MQWSFTZAAFHTRR-NWDGAFQWSA-N 1 2 346.391 2.744 20 5 EFBDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000236812418 242364956 /nfs/dbraw/zinc/36/49/56/242364956.db2.gz FVPPWQWEDTZXCQ-UHFFFAOYSA-N 1 2 334.401 2.714 20 5 EFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000411981739 243054101 /nfs/dbraw/zinc/05/41/01/243054101.db2.gz PEJFHABDFIQKDN-CWRNSKLLSA-N 1 2 340.383 2.828 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000412392992 243301234 /nfs/dbraw/zinc/30/12/34/243301234.db2.gz COFRFKVEUCCKPV-KAOXEZKKSA-N 1 2 326.356 2.717 20 5 EFBDLO CC(C)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049957561 214037826 /nfs/dbraw/zinc/03/78/26/214037826.db2.gz QNRMJKMLBXOZKK-UHFFFAOYSA-N 1 2 340.343 2.810 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079994067 217269424 /nfs/dbraw/zinc/26/94/24/217269424.db2.gz RGOXTASRJQFHBJ-UHFFFAOYSA-N 1 2 342.277 2.619 20 5 EFBDLO Cc1cc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421576481 246022061 /nfs/dbraw/zinc/02/20/61/246022061.db2.gz MUEOPDLJGXAEON-UHFFFAOYSA-N 1 2 329.356 2.692 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2cc(C)[nH+]c(C)c2)c1F ZINC000421582783 246024859 /nfs/dbraw/zinc/02/48/59/246024859.db2.gz VPFPMWCBZNMJDV-UHFFFAOYSA-N 1 2 347.346 2.613 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCNc1cccc[nH+]1 ZINC000264095569 246059339 /nfs/dbraw/zinc/05/93/39/246059339.db2.gz BLVAFOAINCNREU-UHFFFAOYSA-N 1 2 328.372 2.541 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264192205 246163999 /nfs/dbraw/zinc/16/39/99/246163999.db2.gz QLTUGDOKCWVCDQ-UHFFFAOYSA-N 1 2 348.306 2.687 20 5 EFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000425366229 247060227 /nfs/dbraw/zinc/06/02/27/247060227.db2.gz OXBDRKQRLZHDNV-GOSISDBHSA-N 1 2 339.395 2.658 20 5 EFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000425366229 247060231 /nfs/dbraw/zinc/06/02/31/247060231.db2.gz OXBDRKQRLZHDNV-GOSISDBHSA-N 1 2 339.395 2.658 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000425496058 247109060 /nfs/dbraw/zinc/10/90/60/247109060.db2.gz UJGBOUOFDHOFLW-SECBINFHSA-N 1 2 339.193 2.942 20 5 EFBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452180 247089950 /nfs/dbraw/zinc/08/99/50/247089950.db2.gz YTQVKBUWJHBBBJ-CABZTGNLSA-N 1 2 329.194 2.703 20 5 EFBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452180 247089953 /nfs/dbraw/zinc/08/99/53/247089953.db2.gz YTQVKBUWJHBBBJ-CABZTGNLSA-N 1 2 329.194 2.703 20 5 EFBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482718 247102661 /nfs/dbraw/zinc/10/26/61/247102661.db2.gz TZRIGXWPEYUMMA-ZYHUDNBSSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482718 247102665 /nfs/dbraw/zinc/10/26/65/247102665.db2.gz TZRIGXWPEYUMMA-ZYHUDNBSSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482714 247103599 /nfs/dbraw/zinc/10/35/99/247103599.db2.gz TZRIGXWPEYUMMA-CMPLNLGQSA-N 1 2 343.221 2.950 20 5 EFBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425482714 247103601 /nfs/dbraw/zinc/10/36/01/247103601.db2.gz TZRIGXWPEYUMMA-CMPLNLGQSA-N 1 2 343.221 2.950 20 5 EFBDLO CN(CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000266262392 248209317 /nfs/dbraw/zinc/20/93/17/248209317.db2.gz DYYZXRVQDJIZEJ-HNNXBMFYSA-N 1 2 343.387 2.508 20 5 EFBDLO CCCCc1[nH+]c2ccccc2n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266452700 248308331 /nfs/dbraw/zinc/30/83/31/248308331.db2.gz ORLFTOPERFDDEN-CQSZACIVSA-N 1 2 343.387 2.545 20 5 EFBDLO CCc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266527982 248346429 /nfs/dbraw/zinc/34/64/29/248346429.db2.gz FCVCZMRXOMDSPS-LBPRGKRZSA-N 1 2 347.444 2.892 20 5 EFBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091988962 218100310 /nfs/dbraw/zinc/10/03/10/218100310.db2.gz HCBNAURFPKXRIU-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091988962 218100312 /nfs/dbraw/zinc/10/03/12/218100312.db2.gz HCBNAURFPKXRIU-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1O ZINC000092047902 218111035 /nfs/dbraw/zinc/11/10/35/218111035.db2.gz XFCBAAJQIGDZBW-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093646729 218237674 /nfs/dbraw/zinc/23/76/74/218237674.db2.gz SPVXKFFXXHCBFR-HOCLYGCPSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093646729 218237676 /nfs/dbraw/zinc/23/76/76/218237676.db2.gz SPVXKFFXXHCBFR-HOCLYGCPSA-N 1 2 340.445 2.691 20 5 EFBDLO Cc1ccc(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000093734304 218244703 /nfs/dbraw/zinc/24/47/03/218244703.db2.gz PARYSAKYXFBEDC-CQSZACIVSA-N 1 2 327.384 2.952 20 5 EFBDLO Cc1ccc(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000093734304 218244704 /nfs/dbraw/zinc/24/47/04/218244704.db2.gz PARYSAKYXFBEDC-CQSZACIVSA-N 1 2 327.384 2.952 20 5 EFBDLO Cc1ccc(C[N@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444686737 250327825 /nfs/dbraw/zinc/32/78/25/250327825.db2.gz STTFVMSXAODGLC-UHFFFAOYSA-N 1 2 340.383 2.774 20 5 EFBDLO Cc1ccc(C[N@@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444686737 250327831 /nfs/dbraw/zinc/32/78/31/250327831.db2.gz STTFVMSXAODGLC-UHFFFAOYSA-N 1 2 340.383 2.774 20 5 EFBDLO CCOC(=O)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444593294 250315018 /nfs/dbraw/zinc/31/50/18/250315018.db2.gz RARPXYSLXOBIBQ-UHFFFAOYSA-N 1 2 346.387 2.636 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444716872 250334461 /nfs/dbraw/zinc/33/44/61/250334461.db2.gz QFXRWYUBXLKTQB-UHFFFAOYSA-N 1 2 340.387 2.636 20 5 EFBDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)Cn1cc[nH+]c1 ZINC000267269929 250890773 /nfs/dbraw/zinc/89/07/73/250890773.db2.gz SCBIAZATSQRNNK-SECBINFHSA-N 1 2 340.181 2.697 20 5 EFBDLO C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000449897580 251193284 /nfs/dbraw/zinc/19/32/84/251193284.db2.gz VRCIMOUMXRYRAE-NWDGAFQWSA-N 1 2 346.412 2.747 20 5 EFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000450067816 251250127 /nfs/dbraw/zinc/25/01/27/251250127.db2.gz MYZABZKXCMGZAS-UHFFFAOYSA-N 1 2 346.412 2.748 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](C2CC2)C1 ZINC000450316937 251341109 /nfs/dbraw/zinc/34/11/09/251341109.db2.gz RRDSHLBFYBAGSL-AWEZNQCLSA-N 1 2 326.356 2.653 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000454367584 252237378 /nfs/dbraw/zinc/23/73/78/252237378.db2.gz WMXBZKZFXRJWGQ-UHFFFAOYSA-N 1 2 328.372 2.649 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000454373478 252239915 /nfs/dbraw/zinc/23/99/15/252239915.db2.gz USURCHPRNHOPRW-NEPJUHHUSA-N 1 2 331.376 2.933 20 5 EFBDLO C[C@@H](N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178271522 533011122 /nfs/dbraw/zinc/01/11/22/533011122.db2.gz LMBAOZCWXCTUOF-GFCCVEGCSA-N 1 2 331.338 2.706 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367443974 285117055 /nfs/dbraw/zinc/11/70/55/285117055.db2.gz XOTKFIGNQCAKPF-AWEZNQCLSA-N 1 2 336.779 2.921 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000368388564 285154640 /nfs/dbraw/zinc/15/46/40/285154640.db2.gz RODJAFAGVGXYHV-AWEZNQCLSA-N 1 2 336.779 2.921 20 5 EFBDLO NC(=O)c1csc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154296695 224234207 /nfs/dbraw/zinc/23/42/07/224234207.db2.gz GAAZDXZXDXVRNH-UHFFFAOYSA-N 1 2 331.397 2.920 20 5 EFBDLO NC(=O)c1csc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154296695 224234210 /nfs/dbraw/zinc/23/42/10/224234210.db2.gz GAAZDXZXDXVRNH-UHFFFAOYSA-N 1 2 331.397 2.920 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375876 255638436 /nfs/dbraw/zinc/63/84/36/255638436.db2.gz KJCPDCJYDKRHTQ-QWRGUYRKSA-N 1 2 332.385 2.706 20 5 EFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154913652 224326215 /nfs/dbraw/zinc/32/62/15/224326215.db2.gz DJGKMDPYUCDWSO-ZDUSSCGKSA-N 1 2 348.428 2.821 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119370599 221305994 /nfs/dbraw/zinc/30/59/94/221305994.db2.gz RXLQFULYGCYPAP-AWEZNQCLSA-N 1 2 342.399 2.732 20 5 EFBDLO C[C@H]1COCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343516559 142010833 /nfs/dbraw/zinc/01/08/33/142010833.db2.gz IUSHCGHBDSZDEY-HOCLYGCPSA-N 1 2 349.431 2.512 20 5 EFBDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000344437504 142016911 /nfs/dbraw/zinc/01/69/11/142016911.db2.gz MUTBULNVOISKML-XHDPSFHLSA-N 1 2 343.387 2.840 20 5 EFBDLO CSc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000344584190 142044476 /nfs/dbraw/zinc/04/44/76/142044476.db2.gz UGZVOQLOGKKSPW-CYBMUJFWSA-N 1 2 346.412 2.931 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000345994501 142130117 /nfs/dbraw/zinc/13/01/17/142130117.db2.gz KGOMUWCZUVCOBE-ABAIWWIYSA-N 1 2 332.335 2.654 20 5 EFBDLO Cc1c(CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000346260364 142177911 /nfs/dbraw/zinc/17/79/11/142177911.db2.gz XHLVHPSWXJYCBA-OAHLLOKOSA-N 1 2 343.387 2.587 20 5 EFBDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000346469400 142208642 /nfs/dbraw/zinc/20/86/42/142208642.db2.gz BKKLDDIXKAEHHH-SJKOYZFVSA-N 1 2 345.399 2.954 20 5 EFBDLO Cc1c(Br)c(N2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000347430244 142215390 /nfs/dbraw/zinc/21/53/90/142215390.db2.gz NHTFTOQRRCOEEE-UHFFFAOYSA-N 1 2 343.225 2.591 20 5 EFBDLO C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1n1cc[nH+]c1 ZINC000347456607 142219956 /nfs/dbraw/zinc/21/99/56/142219956.db2.gz WQRPUKUXDVYIGU-SWLSCSKDSA-N 1 2 338.371 2.822 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347518775 142230062 /nfs/dbraw/zinc/23/00/62/142230062.db2.gz NDGGGNSUDXJPGN-UHFFFAOYSA-N 1 2 343.368 2.714 20 5 EFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347937322 142296093 /nfs/dbraw/zinc/29/60/93/142296093.db2.gz OLCJCTHZSNABMB-OAHLLOKOSA-N 1 2 339.355 2.636 20 5 EFBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccncc1 ZINC000348065548 142315878 /nfs/dbraw/zinc/31/58/78/142315878.db2.gz CCPHGLNQWPHOBV-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccncc1 ZINC000348065548 142315879 /nfs/dbraw/zinc/31/58/79/142315879.db2.gz CCPHGLNQWPHOBV-UHFFFAOYSA-N 1 2 328.372 2.759 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000349641746 142342486 /nfs/dbraw/zinc/34/24/86/142342486.db2.gz NSXJSYICOVNSGI-UHFFFAOYSA-N 1 2 345.399 2.904 20 5 EFBDLO Cc1ccc(Sc2ccc(C[N@H+](C)CC(N)=O)cc2[N+](=O)[O-])cc1 ZINC000349855244 142368347 /nfs/dbraw/zinc/36/83/47/142368347.db2.gz SIRDXQLZTZZNEC-UHFFFAOYSA-N 1 2 345.424 2.972 20 5 EFBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)CC(N)=O)cc2[N+](=O)[O-])cc1 ZINC000349855244 142368348 /nfs/dbraw/zinc/36/83/48/142368348.db2.gz SIRDXQLZTZZNEC-UHFFFAOYSA-N 1 2 345.424 2.972 20 5 EFBDLO COc1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)c([N+](=O)[O-])cc1O ZINC000341385501 145043813 /nfs/dbraw/zinc/04/38/13/145043813.db2.gz OMGNWTRZEKHJHA-UHFFFAOYSA-N 1 2 342.355 2.518 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccn2cc[nH+]c2c1 ZINC000342686206 145172636 /nfs/dbraw/zinc/17/26/36/145172636.db2.gz YNBJYXYRLGFYPV-UHFFFAOYSA-N 1 2 340.339 2.950 20 5 EFBDLO Cn1c2ccccc2[nH+]c1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000342706237 145176355 /nfs/dbraw/zinc/17/63/55/145176355.db2.gz BLXPYDDREJEUPA-UHFFFAOYSA-N 1 2 337.383 2.808 20 5 EFBDLO COc1cc(NCc2cccc([N+](=O)[O-])c2)[nH+]cc1Br ZINC000342819776 145201295 /nfs/dbraw/zinc/20/12/95/145201295.db2.gz DNTDXEPGQQOVEW-UHFFFAOYSA-N 1 2 338.161 2.795 20 5 EFBDLO Cc1cccn2cc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[nH+]c12 ZINC000342948672 145227065 /nfs/dbraw/zinc/22/70/65/145227065.db2.gz LVYQDTUDEUYYTJ-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000343574008 145242161 /nfs/dbraw/zinc/24/21/61/145242161.db2.gz KUFOGRWRXSLHPN-KRWDZBQOSA-N 1 2 346.408 2.816 20 5 EFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000343574008 145242162 /nfs/dbraw/zinc/24/21/62/145242162.db2.gz KUFOGRWRXSLHPN-KRWDZBQOSA-N 1 2 346.408 2.816 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000347298311 145834917 /nfs/dbraw/zinc/83/49/17/145834917.db2.gz HRAGGOKSBZDHKS-UHFFFAOYSA-N 1 2 348.334 2.677 20 5 EFBDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351814706 146209569 /nfs/dbraw/zinc/20/95/69/146209569.db2.gz KIEUDBRTIZISLJ-SNVBAGLBSA-N 1 2 341.358 2.610 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351998674 146260309 /nfs/dbraw/zinc/26/03/09/146260309.db2.gz XKILNPBNIDJIOT-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351998674 146260312 /nfs/dbraw/zinc/26/03/12/146260312.db2.gz XKILNPBNIDJIOT-NSHDSACASA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000355579484 147002458 /nfs/dbraw/zinc/00/24/58/147002458.db2.gz WTAGEHLTGOADHT-NSHDSACASA-N 1 2 343.391 2.623 20 5 EFBDLO Cc1ccc2[nH+]cc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)n2c1 ZINC000356531344 147269218 /nfs/dbraw/zinc/26/92/18/147269218.db2.gz SOEQELQMBZOZEK-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO CC(=O)Nc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000356534296 147270349 /nfs/dbraw/zinc/27/03/49/147270349.db2.gz WQXHQWCBWAHWID-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO CC(=O)Nc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000356534296 147270353 /nfs/dbraw/zinc/27/03/53/147270353.db2.gz WQXHQWCBWAHWID-UHFFFAOYSA-N 1 2 341.367 2.948 20 5 EFBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685724 147309363 /nfs/dbraw/zinc/30/93/63/147309363.db2.gz XIFFOWWVLKPBBR-KSSFIOAISA-N 1 2 345.443 2.990 20 5 EFBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685724 147309364 /nfs/dbraw/zinc/30/93/64/147309364.db2.gz XIFFOWWVLKPBBR-KSSFIOAISA-N 1 2 345.443 2.990 20 5 EFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000356769791 147331726 /nfs/dbraw/zinc/33/17/26/147331726.db2.gz KVQSQCCSVAPZCG-UHFFFAOYSA-N 1 2 334.401 2.760 20 5 EFBDLO COc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000360394936 148351301 /nfs/dbraw/zinc/35/13/01/148351301.db2.gz MMGKFDGKHZIXEJ-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000364796989 149245930 /nfs/dbraw/zinc/24/59/30/149245930.db2.gz ISDVFFJNUGZTDL-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365201870 149343107 /nfs/dbraw/zinc/34/31/07/149343107.db2.gz STTGEHRMAZLWEN-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368688839 150182783 /nfs/dbraw/zinc/18/27/83/150182783.db2.gz QYYVVUKVQIIZSR-CQSZACIVSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368688839 150182786 /nfs/dbraw/zinc/18/27/86/150182786.db2.gz QYYVVUKVQIIZSR-CQSZACIVSA-N 1 2 336.779 2.900 20 5 EFBDLO C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000373215325 151135729 /nfs/dbraw/zinc/13/57/29/151135729.db2.gz IIEUIDSIAVLRBX-GASCZTMLSA-N 1 2 339.823 2.543 20 5 EFBDLO C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000373215325 151135730 /nfs/dbraw/zinc/13/57/30/151135730.db2.gz IIEUIDSIAVLRBX-GASCZTMLSA-N 1 2 339.823 2.543 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374176760 151296182 /nfs/dbraw/zinc/29/61/82/151296182.db2.gz UOPGOJHHGHFMGU-UHFFFAOYSA-N 1 2 343.362 2.860 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374176760 151296185 /nfs/dbraw/zinc/29/61/85/151296185.db2.gz UOPGOJHHGHFMGU-UHFFFAOYSA-N 1 2 343.362 2.860 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374440223 151348457 /nfs/dbraw/zinc/34/84/57/151348457.db2.gz WIXNXZKNQPAXNT-HNNXBMFYSA-N 1 2 342.399 2.726 20 5 EFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374470657 151353937 /nfs/dbraw/zinc/35/39/37/151353937.db2.gz KAOQDJGOWJTEQB-CQSZACIVSA-N 1 2 341.371 2.870 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000378246233 152039824 /nfs/dbraw/zinc/03/98/24/152039824.db2.gz VXIIQMLNBIDTBO-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000159754658 225273075 /nfs/dbraw/zinc/27/30/75/225273075.db2.gz IZZIZFXEYJVEOT-CQSZACIVSA-N 1 2 341.371 2.699 20 5 EFBDLO Cc1c[nH+]ccc1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000166668246 226164359 /nfs/dbraw/zinc/16/43/59/226164359.db2.gz YBDYJQBBEKAHLS-UHFFFAOYSA-N 1 2 326.356 2.838 20 5 EFBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000122308335 222057524 /nfs/dbraw/zinc/05/75/24/222057524.db2.gz DZUZBFQPDUSIOU-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000122308335 222057527 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O=C(NCC(C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081242451 544494193 /nfs/dbraw/zinc/49/41/93/544494193.db2.gz FLJTYPNHSOVFQI-UHFFFAOYSA-N 1 2 340.383 2.947 20 5 EFBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041856 544540603 /nfs/dbraw/zinc/54/06/03/544540603.db2.gz NULISLRUDUBLKO-STQMWFEESA-N 1 2 348.424 2.905 20 5 EFBDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092041856 544540609 /nfs/dbraw/zinc/54/06/09/544540609.db2.gz NULISLRUDUBLKO-STQMWFEESA-N 1 2 348.424 2.905 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNc1cccc[nH+]1 ZINC000046944183 272979789 /nfs/dbraw/zinc/97/97/89/272979789.db2.gz OJUGJYAHSGCHAD-UHFFFAOYSA-N 1 2 343.387 2.633 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccnc2)CC1 ZINC000271640627 266028919 /nfs/dbraw/zinc/02/89/19/266028919.db2.gz ZSSMFHMMGCGBMW-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000271640627 266028924 /nfs/dbraw/zinc/02/89/24/266028924.db2.gz ZSSMFHMMGCGBMW-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000271855532 266079866 /nfs/dbraw/zinc/07/98/66/266079866.db2.gz YEWNFUGXTHFPNZ-LBPRGKRZSA-N 1 2 331.376 2.539 20 5 EFBDLO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272411955 266257791 /nfs/dbraw/zinc/25/77/91/266257791.db2.gz CHKPRICCJIRSPT-GXTWGEPZSA-N 1 2 328.372 2.567 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000272449399 266268767 /nfs/dbraw/zinc/26/87/67/266268767.db2.gz ANSRBUQMSUZKNZ-UHFFFAOYSA-N 1 2 345.355 2.593 20 5 EFBDLO Cc1noc(C)c1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272472840 266275672 /nfs/dbraw/zinc/27/56/72/266275672.db2.gz APGFQPCCHLINDI-INIZCTEOSA-N 1 2 341.371 2.812 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000272504593 266286200 /nfs/dbraw/zinc/28/62/00/266286200.db2.gz LRZCDZZWYZBEMW-UHFFFAOYSA-N 1 2 349.394 2.992 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272545573 266302535 /nfs/dbraw/zinc/30/25/35/266302535.db2.gz PYOGKDICLZZWNQ-HZPDHXFCSA-N 1 2 346.431 2.804 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272545568 266303486 /nfs/dbraw/zinc/30/34/86/266303486.db2.gz PYOGKDICLZZWNQ-CVEARBPZSA-N 1 2 346.431 2.804 20 5 EFBDLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273385897 266490605 /nfs/dbraw/zinc/49/06/05/266490605.db2.gz NTDDNRSXJWZMSK-WDEREUQCSA-N 1 2 342.359 2.790 20 5 EFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273388618 266490857 /nfs/dbraw/zinc/49/08/57/266490857.db2.gz JOSKIGBJUFNWQS-UHFFFAOYSA-N 1 2 333.323 2.869 20 5 EFBDLO C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(C)c1 ZINC000273385895 266491054 /nfs/dbraw/zinc/49/10/54/266491054.db2.gz NTDDNRSXJWZMSK-QWRGUYRKSA-N 1 2 342.359 2.790 20 5 EFBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277594652 267206603 /nfs/dbraw/zinc/20/66/03/267206603.db2.gz UOCLPVVJWSBYDB-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277594652 267206607 /nfs/dbraw/zinc/20/66/07/267206607.db2.gz UOCLPVVJWSBYDB-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000277672975 267229965 /nfs/dbraw/zinc/22/99/65/267229965.db2.gz XVDSPHLJMLXYSP-IUODEOHRSA-N 1 2 344.371 2.523 20 5 EFBDLO CCOC1CC(CNc2cc(C)ccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277760452 267256025 /nfs/dbraw/zinc/25/60/25/267256025.db2.gz CYYLEUOTFUVGGR-UHFFFAOYSA-N 1 2 349.431 2.585 20 5 EFBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000118848906 273016860 /nfs/dbraw/zinc/01/68/60/273016860.db2.gz ALPNLDXOJFUNCC-UHFFFAOYSA-N 1 2 334.401 2.823 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795318 267265734 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LOWGBQBMJQBFEJ-NXEZZACHSA-N 1 2 336.373 2.632 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278120262 267347504 /nfs/dbraw/zinc/34/75/04/267347504.db2.gz QHUQLZLEJWDHOI-BXUZGUMPSA-N 1 2 348.334 2.710 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278120262 267347506 /nfs/dbraw/zinc/34/75/06/267347506.db2.gz QHUQLZLEJWDHOI-BXUZGUMPSA-N 1 2 348.334 2.710 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1N[C@H]1CCN(c3cccc[nH+]3)C1)CCN2 ZINC000278151080 267354432 /nfs/dbraw/zinc/35/44/32/267354432.db2.gz BJUUUKYSSAJUJC-LBPRGKRZSA-N 1 2 325.372 2.649 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000278220980 267371885 /nfs/dbraw/zinc/37/18/85/267371885.db2.gz XVADIYIWPHBIPQ-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000278220980 267371888 /nfs/dbraw/zinc/37/18/88/267371888.db2.gz XVADIYIWPHBIPQ-UKRRQHHQSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCO3)no2)ccc1-n1cc[nH+]c1 ZINC000274162020 273124613 /nfs/dbraw/zinc/12/46/13/273124613.db2.gz NVVLNNJTFRGUAH-ZDUSSCGKSA-N 1 2 327.300 2.682 20 5 EFBDLO CC(C)n1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279582132 273230670 /nfs/dbraw/zinc/23/06/70/273230670.db2.gz GXBQAKDPSJEINN-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000279905553 273267417 /nfs/dbraw/zinc/26/74/17/273267417.db2.gz VJHQZADWGWJHKE-HNNXBMFYSA-N 1 2 336.388 2.708 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000279905553 273267418 /nfs/dbraw/zinc/26/74/18/273267418.db2.gz VJHQZADWGWJHKE-HNNXBMFYSA-N 1 2 336.388 2.708 20 5 EFBDLO CCC(=O)c1ccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280036013 273283503 /nfs/dbraw/zinc/28/35/03/273283503.db2.gz AHGRXZARKIZCFV-CHWSQXEVSA-N 1 2 335.404 2.709 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000280268853 273309657 /nfs/dbraw/zinc/30/96/57/273309657.db2.gz CVMQLKYLVJJHLJ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000280268853 273309658 /nfs/dbraw/zinc/30/96/58/273309658.db2.gz CVMQLKYLVJJHLJ-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000280607525 273346252 /nfs/dbraw/zinc/34/62/52/273346252.db2.gz YUFXBJMQYUESCP-MRXNPFEDSA-N 1 2 338.404 2.859 20 5 EFBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000280607525 273346253 /nfs/dbraw/zinc/34/62/53/273346253.db2.gz YUFXBJMQYUESCP-MRXNPFEDSA-N 1 2 338.404 2.859 20 5 EFBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000280607518 273346271 /nfs/dbraw/zinc/34/62/71/273346271.db2.gz YUFXBJMQYUESCP-INIZCTEOSA-N 1 2 338.404 2.859 20 5 EFBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000280607518 273346272 /nfs/dbraw/zinc/34/62/72/273346272.db2.gz YUFXBJMQYUESCP-INIZCTEOSA-N 1 2 338.404 2.859 20 5 EFBDLO CCC(=O)c1ccc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280646519 273350480 /nfs/dbraw/zinc/35/04/80/273350480.db2.gz DXYUKTXMOKDUHC-ZDUSSCGKSA-N 1 2 335.404 2.568 20 5 EFBDLO Cc1cc(NCC2([S@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281625138 273453362 /nfs/dbraw/zinc/45/33/62/273453362.db2.gz HTITZJGICNZUPB-DEOSSOPVSA-N 1 2 346.412 2.683 20 5 EFBDLO CCOC(=O)c1ccnc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000284539025 273852390 /nfs/dbraw/zinc/85/23/90/273852390.db2.gz AVKYXMUOZCRTKW-NSHDSACASA-N 1 2 333.348 2.699 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000285260604 273969690 /nfs/dbraw/zinc/96/96/90/273969690.db2.gz DAXGDXQOJRJLCG-INIZCTEOSA-N 1 2 347.419 2.997 20 5 EFBDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285323326 273979475 /nfs/dbraw/zinc/97/94/75/273979475.db2.gz TXBNCDOTWLDMGE-YMTOWFKASA-N 1 2 337.326 2.839 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285471623 274006102 /nfs/dbraw/zinc/00/61/02/274006102.db2.gz KOYFBXJIEZJKNB-LBPRGKRZSA-N 1 2 327.406 2.709 20 5 EFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285471623 274006103 /nfs/dbraw/zinc/00/61/03/274006103.db2.gz KOYFBXJIEZJKNB-LBPRGKRZSA-N 1 2 327.406 2.709 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285515448 274015921 /nfs/dbraw/zinc/01/59/21/274015921.db2.gz GHAOQUQRMWNHIY-CYBMUJFWSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285515448 274015922 /nfs/dbraw/zinc/01/59/22/274015922.db2.gz GHAOQUQRMWNHIY-CYBMUJFWSA-N 1 2 339.367 2.835 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285547517 274022877 /nfs/dbraw/zinc/02/28/77/274022877.db2.gz GIEUGJVXYMFSCI-CQSZACIVSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285547517 274022879 /nfs/dbraw/zinc/02/28/79/274022879.db2.gz GIEUGJVXYMFSCI-CQSZACIVSA-N 1 2 332.360 2.892 20 5 EFBDLO COCC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000120932938 274030097 /nfs/dbraw/zinc/03/00/97/274030097.db2.gz DCSDOZVSWGCQSU-UHFFFAOYSA-N 1 2 334.203 2.670 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000285619559 274039315 /nfs/dbraw/zinc/03/93/15/274039315.db2.gz MSDBGLSPUYDVKC-UHFFFAOYSA-N 1 2 348.353 2.586 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649302 274045111 /nfs/dbraw/zinc/04/51/11/274045111.db2.gz MEXBBTXOJOYHBM-CABCVRRESA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649302 274045112 /nfs/dbraw/zinc/04/51/12/274045112.db2.gz MEXBBTXOJOYHBM-CABCVRRESA-N 1 2 332.360 2.547 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285859426 274088788 /nfs/dbraw/zinc/08/87/88/274088788.db2.gz IMTQAGZSNNPIOD-DOMZBBRYSA-N 1 2 339.823 2.543 20 5 EFBDLO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286316884 274176344 /nfs/dbraw/zinc/17/63/44/274176344.db2.gz HJRYXIBJCJSOSM-LBPRGKRZSA-N 1 2 340.326 2.648 20 5 EFBDLO Cc1cc(N(C)[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286317540 274176363 /nfs/dbraw/zinc/17/63/63/274176363.db2.gz KPKJHFCNWIVYST-HUUCEWRRSA-N 1 2 328.372 2.710 20 5 EFBDLO COC(=O)c1cnc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000286383872 274189749 /nfs/dbraw/zinc/18/97/49/274189749.db2.gz GBMPOZGTIXJMIY-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286697157 274253664 /nfs/dbraw/zinc/25/36/64/274253664.db2.gz DLYWWLCBJRPWBL-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286697157 274253666 /nfs/dbraw/zinc/25/36/66/274253666.db2.gz DLYWWLCBJRPWBL-GFCCVEGCSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286697160 274253729 /nfs/dbraw/zinc/25/37/29/274253729.db2.gz DLYWWLCBJRPWBL-LBPRGKRZSA-N 1 2 341.795 2.959 20 5 EFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286697160 274253732 /nfs/dbraw/zinc/25/37/32/274253732.db2.gz DLYWWLCBJRPWBL-LBPRGKRZSA-N 1 2 341.795 2.959 20 5 EFBDLO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(F)cn1 ZINC000287735550 274479293 /nfs/dbraw/zinc/47/92/93/274479293.db2.gz PJFQPNDHSDUEPP-JTQLQIEISA-N 1 2 335.335 2.997 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nncn1C ZINC000289619125 274792230 /nfs/dbraw/zinc/79/22/30/274792230.db2.gz UYRYBNJDZFBQFJ-SSDOTTSWSA-N 1 2 330.175 2.881 20 5 EFBDLO CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837219 276282732 /nfs/dbraw/zinc/28/27/32/276282732.db2.gz PGQJSZZEKOPUHO-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837219 276282735 /nfs/dbraw/zinc/28/27/35/276282735.db2.gz PGQJSZZEKOPUHO-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000414242445 278358964 /nfs/dbraw/zinc/35/89/64/278358964.db2.gz PWMMEMQYKBVZSU-GFCCVEGCSA-N 1 2 334.397 2.849 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000125994944 278541473 /nfs/dbraw/zinc/54/14/73/278541473.db2.gz KYGSHDICFAOQNM-IAQYHMDHSA-N 1 2 332.335 2.654 20 5 EFBDLO CCC(CC)[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000359118381 278607804 /nfs/dbraw/zinc/60/78/04/278607804.db2.gz DUKNBIZFYNSLCN-QGZVFWFLSA-N 1 2 349.431 2.979 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2[nH+]ccn21 ZINC000456406865 278985499 /nfs/dbraw/zinc/98/54/99/278985499.db2.gz YKCGGSZUHJHROS-KOLCDFICSA-N 1 2 325.328 2.708 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)sc1C ZINC000173174628 279083464 /nfs/dbraw/zinc/08/34/64/279083464.db2.gz YKNWBGWXKLSIMX-UHFFFAOYSA-N 1 2 332.429 2.990 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456440997 279965881 /nfs/dbraw/zinc/96/58/81/279965881.db2.gz YVLQUXGYZMAODA-ZWNOBZJWSA-N 1 2 330.344 2.626 20 5 EFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000067593561 292696864 /nfs/dbraw/zinc/69/68/64/292696864.db2.gz KNZIPJZITBRXBL-AWEZNQCLSA-N 1 2 347.371 2.706 20 5 EFBDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347264084 289439050 /nfs/dbraw/zinc/43/90/50/289439050.db2.gz NMXMSWPVWIFKJD-UHFFFAOYSA-N 1 2 333.323 2.517 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000122803206 292969625 /nfs/dbraw/zinc/96/96/25/292969625.db2.gz DLFVSOWKXYLNMY-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000126182027 293031009 /nfs/dbraw/zinc/03/10/09/293031009.db2.gz ZKXDTTORVMMQPX-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000126182027 293031011 /nfs/dbraw/zinc/03/10/11/293031011.db2.gz ZKXDTTORVMMQPX-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000127907767 293084959 /nfs/dbraw/zinc/08/49/59/293084959.db2.gz VDQYIPCPXLBGIB-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000127907767 293084961 /nfs/dbraw/zinc/08/49/61/293084961.db2.gz VDQYIPCPXLBGIB-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000131174567 293189093 /nfs/dbraw/zinc/18/90/93/293189093.db2.gz QCBDFCQMIRTRJH-BQYQJAHWSA-N 1 2 328.372 2.777 20 5 EFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000131713706 293206003 /nfs/dbraw/zinc/20/60/03/293206003.db2.gz LHUWWQILJBXZHS-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000132344894 293224320 /nfs/dbraw/zinc/22/43/20/293224320.db2.gz YFIYSLQIDOJWFR-ZDUSSCGKSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153138770 293362242 /nfs/dbraw/zinc/36/22/42/293362242.db2.gz LLTXLBVQBPFZOE-CQSZACIVSA-N 1 2 339.395 2.830 20 5 EFBDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153138770 293362244 /nfs/dbraw/zinc/36/22/44/293362244.db2.gz LLTXLBVQBPFZOE-CQSZACIVSA-N 1 2 339.395 2.830 20 5 EFBDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291005983 294245347 /nfs/dbraw/zinc/24/53/47/294245347.db2.gz UIUWUJMCZDSJHQ-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000291081858 294268828 /nfs/dbraw/zinc/26/88/28/294268828.db2.gz IEKQVRFEOXCRND-DGCLKSJQSA-N 1 2 325.796 2.548 20 5 EFBDLO Cc1nnsc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291662029 294446247 /nfs/dbraw/zinc/44/62/47/294446247.db2.gz FDYIVBDVQSJAEA-UHFFFAOYSA-N 1 2 330.316 2.646 20 5 EFBDLO C[C@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)([NH+](C)C)C1 ZINC000063802875 299909955 /nfs/dbraw/zinc/90/99/55/299909955.db2.gz GAPLDPGMKIJTQC-SJCJKPOMSA-N 1 2 335.404 2.541 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1F ZINC000294406461 295161701 /nfs/dbraw/zinc/16/17/01/295161701.db2.gz KWURZARSNIURCU-OAHLLOKOSA-N 1 2 348.378 2.600 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1F ZINC000294406457 295161774 /nfs/dbraw/zinc/16/17/74/295161774.db2.gz KWURZARSNIURCU-HNNXBMFYSA-N 1 2 348.378 2.600 20 5 EFBDLO Cc1cc(Cl)c(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000295027897 295259241 /nfs/dbraw/zinc/25/92/41/295259241.db2.gz SBUQJVKYBYFEPV-UHFFFAOYSA-N 1 2 336.779 2.915 20 5 EFBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]2C ZINC000359636266 295261706 /nfs/dbraw/zinc/26/17/06/295261706.db2.gz NZVKLAAHYJEIPO-VXGBXAGGSA-N 1 2 330.388 2.845 20 5 EFBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]2C ZINC000359636266 295261708 /nfs/dbraw/zinc/26/17/08/295261708.db2.gz NZVKLAAHYJEIPO-VXGBXAGGSA-N 1 2 330.388 2.845 20 5 EFBDLO CNC(=O)c1ccc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000295080980 295265745 /nfs/dbraw/zinc/26/57/45/295265745.db2.gz XSPOVELTQWFUPO-UHFFFAOYSA-N 1 2 328.372 2.703 20 5 EFBDLO CCC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000295180977 295278975 /nfs/dbraw/zinc/27/89/75/295278975.db2.gz VSNYMORVIATTKS-JKSUJKDBSA-N 1 2 332.404 2.822 20 5 EFBDLO Cc1sccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295291729 295294617 /nfs/dbraw/zinc/29/46/17/295294617.db2.gz JFHZJODJABNURN-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295747956 295369913 /nfs/dbraw/zinc/36/99/13/295369913.db2.gz UIBWIZHUIRCMPA-UHFFFAOYSA-N 1 2 342.277 2.760 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(CF)CC1 ZINC000295998103 295408757 /nfs/dbraw/zinc/40/87/57/295408757.db2.gz RNYHMBJSIULGAG-UHFFFAOYSA-N 1 2 332.335 2.602 20 5 EFBDLO CSC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157527946 295626156 /nfs/dbraw/zinc/62/61/56/295626156.db2.gz GCIYDOZXIRBIMG-CYBMUJFWSA-N 1 2 346.412 2.748 20 5 EFBDLO C[C@H]1[C@@H](C)N(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000419002913 300671301 /nfs/dbraw/zinc/67/13/01/300671301.db2.gz CPTDIAFSNBAJTQ-RBSFLKMASA-N 1 2 333.432 2.908 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000136200310 310662073 /nfs/dbraw/zinc/66/20/73/310662073.db2.gz JSMDGHCTNBEUKH-SOFGYWHQSA-N 1 2 344.346 2.761 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161609028 310711255 /nfs/dbraw/zinc/71/12/55/310711255.db2.gz IFTYWVJHDJFHOS-AWEZNQCLSA-N 1 2 348.321 2.739 20 5 EFBDLO Cc1cc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000298758586 311020989 /nfs/dbraw/zinc/02/09/89/311020989.db2.gz ZLWAVRBFPYSIDD-UHFFFAOYSA-N 1 2 329.360 2.686 20 5 EFBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC000298789634 311023866 /nfs/dbraw/zinc/02/38/66/311023866.db2.gz DUIRWIMKFJUVRR-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC000298789634 311023867 /nfs/dbraw/zinc/02/38/67/311023867.db2.gz DUIRWIMKFJUVRR-UHFFFAOYSA-N 1 2 333.413 2.795 20 5 EFBDLO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000299347602 311075205 /nfs/dbraw/zinc/07/52/05/311075205.db2.gz GDIBVDHQECMMSB-UHFFFAOYSA-N 1 2 343.383 2.988 20 5 EFBDLO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000299347602 311075207 /nfs/dbraw/zinc/07/52/07/311075207.db2.gz GDIBVDHQECMMSB-UHFFFAOYSA-N 1 2 343.383 2.988 20 5 EFBDLO Cc1cc(N2C[C@H](C)OC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393530 311080298 /nfs/dbraw/zinc/08/02/98/311080298.db2.gz PGRYWQPJLRZALA-STQMWFEESA-N 1 2 328.372 2.974 20 5 EFBDLO COc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000299569045 311097916 /nfs/dbraw/zinc/09/79/16/311097916.db2.gz TULINSIEDSZFPA-LBPRGKRZSA-N 1 2 330.344 2.694 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301262120 311127917 /nfs/dbraw/zinc/12/79/17/311127917.db2.gz DDJAYWOJWXREDU-UHFFFAOYSA-N 1 2 328.376 2.731 20 5 EFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301262120 311127919 /nfs/dbraw/zinc/12/79/19/311127919.db2.gz DDJAYWOJWXREDU-UHFFFAOYSA-N 1 2 328.376 2.731 20 5 EFBDLO Cc1cc(N[C@H](CCO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301329582 311131514 /nfs/dbraw/zinc/13/15/14/311131514.db2.gz CWSNHCBZQGJQGR-OAHLLOKOSA-N 1 2 328.372 2.933 20 5 EFBDLO Cc1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301709811 311154015 /nfs/dbraw/zinc/15/40/15/311154015.db2.gz JVPOVWCATFUBTD-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO CC[C@H]1COCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301804109 311159357 /nfs/dbraw/zinc/15/93/57/311159357.db2.gz AZDPTHAMHZOXJW-AWEZNQCLSA-N 1 2 328.372 2.975 20 5 EFBDLO Cc1c(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)cccc1[N+](=O)[O-] ZINC000302722673 311198068 /nfs/dbraw/zinc/19/80/68/311198068.db2.gz MXMQOBBEDDNIEP-UHFFFAOYSA-N 1 2 330.392 2.890 20 5 EFBDLO Cc1c(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000302722673 311198070 /nfs/dbraw/zinc/19/80/70/311198070.db2.gz MXMQOBBEDDNIEP-UHFFFAOYSA-N 1 2 330.392 2.890 20 5 EFBDLO COC(=O)c1cnc(Nc2ccc([NH+](C)C)cc2C)c([N+](=O)[O-])c1 ZINC000302757559 311199625 /nfs/dbraw/zinc/19/96/25/311199625.db2.gz JAQWCRDKLZAOOB-UHFFFAOYSA-N 1 2 330.344 2.894 20 5 EFBDLO CCOc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000302777053 311200622 /nfs/dbraw/zinc/20/06/22/311200622.db2.gz PDNREUFIRDJCCU-MRXNPFEDSA-N 1 2 346.387 2.667 20 5 EFBDLO COc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000305145996 311217217 /nfs/dbraw/zinc/21/72/17/311217217.db2.gz NLGCHPNXPDIFHK-AWEZNQCLSA-N 1 2 348.321 2.739 20 5 EFBDLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000332392283 311498220 /nfs/dbraw/zinc/49/82/20/311498220.db2.gz MOHMAFQZQNFMDJ-AWEZNQCLSA-N 1 2 327.388 2.576 20 5 EFBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332443497 311505589 /nfs/dbraw/zinc/50/55/89/311505589.db2.gz JUCSEFVOHKVEHN-UHFFFAOYSA-N 1 2 334.763 2.991 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)n3cc[nH+]c3)n2)c1 ZINC000351497251 311885239 /nfs/dbraw/zinc/88/52/39/311885239.db2.gz FAWKZWVLPIVWQY-LLVKDONJSA-N 1 2 343.343 2.577 20 5 EFBDLO COc1cc(C[NH2+][C@H]2COCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000418099892 312325637 /nfs/dbraw/zinc/32/56/37/312325637.db2.gz OHVWMRCCLAZKIT-AWEZNQCLSA-N 1 2 330.340 2.670 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000450832215 312754159 /nfs/dbraw/zinc/75/41/59/312754159.db2.gz RDFYLWYVGXPDSK-JTQLQIEISA-N 1 2 329.360 2.869 20 5 EFBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC000450903484 312770522 /nfs/dbraw/zinc/77/05/22/312770522.db2.gz CUJDGUKVDSBYQJ-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000450937556 312779109 /nfs/dbraw/zinc/77/91/09/312779109.db2.gz IGEUEYWMHBZFIR-UHFFFAOYSA-N 1 2 349.362 2.666 20 5 EFBDLO CNc1nc(-c2nc(CCc3[nH+]cccc3C)no2)ccc1[N+](=O)[O-] ZINC000453219010 312880877 /nfs/dbraw/zinc/88/08/77/312880877.db2.gz HPRRVBQTQQYUSB-UHFFFAOYSA-N 1 2 340.343 2.570 20 5 EFBDLO CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458133458 313076813 /nfs/dbraw/zinc/07/68/13/313076813.db2.gz PGZUHJJXXPFKBJ-RDJZCZTQSA-N 1 2 328.372 2.945 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000470211012 313129999 /nfs/dbraw/zinc/12/99/99/313129999.db2.gz FKOGMDILLNEWDJ-QXSWTLKVSA-N 1 2 331.416 2.845 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000470211012 313130004 /nfs/dbraw/zinc/13/00/04/313130004.db2.gz FKOGMDILLNEWDJ-QXSWTLKVSA-N 1 2 331.416 2.845 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000470180132 313130444 /nfs/dbraw/zinc/13/04/44/313130444.db2.gz IOKBTVHAAHUKKX-WZFZXHKMSA-N 1 2 329.400 2.741 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000470180132 313130447 /nfs/dbraw/zinc/13/04/47/313130447.db2.gz IOKBTVHAAHUKKX-WZFZXHKMSA-N 1 2 329.400 2.741 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1C(C)=O ZINC000472348013 313187703 /nfs/dbraw/zinc/18/77/03/313187703.db2.gz JBNSCIPJFQRLGJ-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1C(C)=O ZINC000472348013 313187704 /nfs/dbraw/zinc/18/77/04/313187704.db2.gz JBNSCIPJFQRLGJ-HOTGVXAUSA-N 1 2 349.431 2.825 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000490665419 313665945 /nfs/dbraw/zinc/66/59/45/313665945.db2.gz CDUWEOFCGJZWRE-XQRVVYSFSA-N 1 2 334.763 2.654 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000492465404 314000841 /nfs/dbraw/zinc/00/08/41/314000841.db2.gz YQOSDVMJSAKAFI-ZHACJKMWSA-N 1 2 342.399 2.964 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799321 314130058 /nfs/dbraw/zinc/13/00/58/314130058.db2.gz LPMWSVVAWSNTAI-HLRDLLSLSA-N 1 2 326.356 2.609 20 5 EFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000492983830 314200961 /nfs/dbraw/zinc/20/09/61/314200961.db2.gz NBIIZGIEKOVUCK-OGZRUICASA-N 1 2 339.351 2.683 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493814072 314489950 /nfs/dbraw/zinc/48/99/50/314489950.db2.gz DMBVAPZVZUMIJA-YFHOEESVSA-N 1 2 340.383 2.799 20 5 EFBDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000497040991 315288534 /nfs/dbraw/zinc/28/85/34/315288534.db2.gz SLKBFFBFJKCBOT-UHFFFAOYSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000497185952 315341454 /nfs/dbraw/zinc/34/14/54/315341454.db2.gz UCIQSPSRSJJBOH-SNVBAGLBSA-N 1 2 327.768 2.521 20 5 EFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000497185952 315341456 /nfs/dbraw/zinc/34/14/56/315341456.db2.gz UCIQSPSRSJJBOH-SNVBAGLBSA-N 1 2 327.768 2.521 20 5 EFBDLO CCN(CC)C(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000507230991 315479240 /nfs/dbraw/zinc/47/92/40/315479240.db2.gz PGKSKAGJMDTCAA-VQHVLOKHSA-N 1 2 346.431 2.687 20 5 EFBDLO CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000516979618 315726808 /nfs/dbraw/zinc/72/68/08/315726808.db2.gz OVKXFDNDQKJXEB-OAHLLOKOSA-N 1 2 348.790 2.909 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000521695336 316040079 /nfs/dbraw/zinc/04/00/79/316040079.db2.gz MHHQGYGGOPRWJH-UHFFFAOYSA-N 1 2 331.376 2.956 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000522776128 316100557 /nfs/dbraw/zinc/10/05/57/316100557.db2.gz IIJXNOYPVIOALW-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO C[C@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000523078178 316109711 /nfs/dbraw/zinc/10/97/11/316109711.db2.gz ZZEKNKZRKIVVBW-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000523078178 316109714 /nfs/dbraw/zinc/10/97/14/316109714.db2.gz ZZEKNKZRKIVVBW-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000525718757 316229355 /nfs/dbraw/zinc/22/93/55/316229355.db2.gz KPUPSUHUBWZIRD-VXGBXAGGSA-N 1 2 346.412 2.747 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000526063345 316285070 /nfs/dbraw/zinc/28/50/70/316285070.db2.gz OXFZWOZKAVVYSW-UKTHLTGXSA-N 1 2 327.388 2.668 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000526063345 316285072 /nfs/dbraw/zinc/28/50/72/316285072.db2.gz OXFZWOZKAVVYSW-UKTHLTGXSA-N 1 2 327.388 2.668 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000530421887 317124567 /nfs/dbraw/zinc/12/45/67/317124567.db2.gz AGVIGBCOJDTVOQ-UHFFFAOYSA-N 1 2 335.433 2.503 20 5 EFBDLO C[N@H+](Cc1cccc(O)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000531382059 317258828 /nfs/dbraw/zinc/25/88/28/317258828.db2.gz JUGUZDWWRFVFFX-UHFFFAOYSA-N 1 2 330.340 2.799 20 5 EFBDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000531382059 317258831 /nfs/dbraw/zinc/25/88/31/317258831.db2.gz JUGUZDWWRFVFFX-UHFFFAOYSA-N 1 2 330.340 2.799 20 5 EFBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000542623624 317819227 /nfs/dbraw/zinc/81/92/27/317819227.db2.gz WUKKMWIFDPYJFG-INIZCTEOSA-N 1 2 336.388 2.685 20 5 EFBDLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000542689584 317822460 /nfs/dbraw/zinc/82/24/60/317822460.db2.gz LFFMHRDJRSPQFG-GFCCVEGCSA-N 1 2 334.351 2.631 20 5 EFBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757556 318037744 /nfs/dbraw/zinc/03/77/44/318037744.db2.gz GVYUFKOTOMIVNN-UHFFFAOYSA-N 1 2 326.316 2.714 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623522 318125019 /nfs/dbraw/zinc/12/50/19/318125019.db2.gz IMLLEWXFMKQHGP-LBPRGKRZSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623522 318125022 /nfs/dbraw/zinc/12/50/22/318125022.db2.gz IMLLEWXFMKQHGP-LBPRGKRZSA-N 1 2 337.807 2.835 20 5 EFBDLO CCOC(=O)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000549153440 318167560 /nfs/dbraw/zinc/16/75/60/318167560.db2.gz LYPNNWHYEUKJSU-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO CCOC(=O)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000549153440 318167561 /nfs/dbraw/zinc/16/75/61/318167561.db2.gz LYPNNWHYEUKJSU-UHFFFAOYSA-N 1 2 349.412 2.903 20 5 EFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553123176 318271589 /nfs/dbraw/zinc/27/15/89/318271589.db2.gz YIJWIRHPMLHFEX-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000557491040 318438912 /nfs/dbraw/zinc/43/89/12/318438912.db2.gz FSFVJWLVJOGANS-IAQYHMDHSA-N 1 2 328.372 2.699 20 5 EFBDLO C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000566305250 319061066 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EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000055696442 472226698 /nfs/dbraw/zinc/22/66/98/472226698.db2.gz DXBMURPWHPEHRX-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO Cc1c(NC(=O)NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000043347915 472227020 /nfs/dbraw/zinc/22/70/20/472227020.db2.gz CAAWEBAFQYJQLP-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO COc1ccc([C@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000028620540 472230629 /nfs/dbraw/zinc/23/06/29/472230629.db2.gz BIWVFQIBNSTCLN-HNNXBMFYSA-N 1 2 339.355 2.933 20 5 EFBDLO COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000028620634 472230740 /nfs/dbraw/zinc/23/07/40/472230740.db2.gz ZPMYZFPYUOEZBC-INIZCTEOSA-N 1 2 339.355 2.933 20 5 EFBDLO CSc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000028832996 472237352 /nfs/dbraw/zinc/23/73/52/472237352.db2.gz WANMFCHJUOLEQN-UHFFFAOYSA-N 1 2 342.380 2.894 20 5 EFBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000616785259 479976069 /nfs/dbraw/zinc/97/60/69/479976069.db2.gz HZVPHUGVTOUOBI-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000616785259 479976076 /nfs/dbraw/zinc/97/60/76/479976076.db2.gz HZVPHUGVTOUOBI-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO Cc1cccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029626637 472285948 /nfs/dbraw/zinc/28/59/48/472285948.db2.gz IKQUKTAGJQFGKX-QGZVFWFLSA-N 1 2 342.399 2.784 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069070477 472286879 /nfs/dbraw/zinc/28/68/79/472286879.db2.gz UGOWZWABOVQJMY-NSHDSACASA-N 1 2 333.344 2.828 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069070477 472286885 /nfs/dbraw/zinc/28/68/85/472286885.db2.gz UGOWZWABOVQJMY-NSHDSACASA-N 1 2 333.344 2.828 20 5 EFBDLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178337 472290870 /nfs/dbraw/zinc/29/08/70/472290870.db2.gz DMOXBVMOGLZODS-KRWDZBQOSA-N 1 2 325.368 2.704 20 5 EFBDLO Cc1ccn2cc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000087167663 472311763 /nfs/dbraw/zinc/31/17/63/472311763.db2.gz NMFFHIAMAMKNEQ-UHFFFAOYSA-N 1 2 338.367 2.800 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252057 472352538 /nfs/dbraw/zinc/35/25/38/472352538.db2.gz MPDZPPIBOBWZFY-UHFFFAOYSA-N 1 2 348.362 2.979 20 5 EFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606585 472378137 /nfs/dbraw/zinc/37/81/37/472378137.db2.gz MTHAEIQKVRVNOQ-ZIAGYGMSSA-N 1 2 331.416 2.742 20 5 EFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606585 472378144 /nfs/dbraw/zinc/37/81/44/472378144.db2.gz MTHAEIQKVRVNOQ-ZIAGYGMSSA-N 1 2 331.416 2.742 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH+]1 ZINC000045311728 472391763 /nfs/dbraw/zinc/39/17/63/472391763.db2.gz QNUIAMOXGONZJZ-UHFFFAOYSA-N 1 2 336.311 2.908 20 5 EFBDLO Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH+]1 ZINC000097020780 472411262 /nfs/dbraw/zinc/41/12/62/472411262.db2.gz CBMBJPYXGQMLER-ZDUSSCGKSA-N 1 2 340.387 2.656 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000076877321 472418550 /nfs/dbraw/zinc/41/85/50/472418550.db2.gz UAXLGFSMYMPPKU-UHFFFAOYSA-N 1 2 346.456 2.986 20 5 EFBDLO C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032486198 472441354 /nfs/dbraw/zinc/44/13/54/472441354.db2.gz FKSZPPKQFDDQBI-BETUJISGSA-N 1 2 328.372 2.899 20 5 EFBDLO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cscn1 ZINC000128362324 472441588 /nfs/dbraw/zinc/44/15/88/472441588.db2.gz AMYQUVXSAFRAGZ-UHFFFAOYSA-N 1 2 338.364 2.651 20 5 EFBDLO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cscn1 ZINC000128362324 472441593 /nfs/dbraw/zinc/44/15/93/472441593.db2.gz AMYQUVXSAFRAGZ-UHFFFAOYSA-N 1 2 338.364 2.651 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000057516661 472447076 /nfs/dbraw/zinc/44/70/76/472447076.db2.gz RKXRBJBNPYKASY-UHFFFAOYSA-N 1 2 334.401 2.828 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000097125732 472457185 /nfs/dbraw/zinc/45/71/85/472457185.db2.gz UTAGLZBXBVKBFR-UHFFFAOYSA-N 1 2 337.339 2.830 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000154953836 472489906 /nfs/dbraw/zinc/48/99/06/472489906.db2.gz JTNAGYQTJNYIPS-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118836100 472509947 /nfs/dbraw/zinc/50/99/47/472509947.db2.gz ZOCUAHCMWMCPTC-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118836100 472509951 /nfs/dbraw/zinc/50/99/51/472509951.db2.gz ZOCUAHCMWMCPTC-OAHLLOKOSA-N 1 2 326.400 2.869 20 5 EFBDLO Cn1cc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000089882866 472533038 /nfs/dbraw/zinc/53/30/38/472533038.db2.gz FSXHFQYXBLGTES-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO Cn1cc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000089882866 472533046 /nfs/dbraw/zinc/53/30/46/472533046.db2.gz FSXHFQYXBLGTES-UHFFFAOYSA-N 1 2 327.344 2.615 20 5 EFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886639 472534217 /nfs/dbraw/zinc/53/42/17/472534217.db2.gz LJWIHARUQXVAAC-UHFFFAOYSA-N 1 2 346.387 2.550 20 5 EFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886639 472534223 /nfs/dbraw/zinc/53/42/23/472534223.db2.gz LJWIHARUQXVAAC-UHFFFAOYSA-N 1 2 346.387 2.550 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000058958589 472616992 /nfs/dbraw/zinc/61/69/92/472616992.db2.gz QHPMIOZKPJRJRQ-UHFFFAOYSA-N 1 2 343.383 2.816 20 5 EFBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1Cl ZINC000090511475 472627726 /nfs/dbraw/zinc/62/77/26/472627726.db2.gz TWPOYRUMXKEMHL-UHFFFAOYSA-N 1 2 339.754 2.681 20 5 EFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1Cl ZINC000090511475 472627730 /nfs/dbraw/zinc/62/77/30/472627730.db2.gz TWPOYRUMXKEMHL-UHFFFAOYSA-N 1 2 339.754 2.681 20 5 EFBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120126487 472634812 /nfs/dbraw/zinc/63/48/12/472634812.db2.gz RLUKTDOGULTFKZ-ZDUSSCGKSA-N 1 2 340.343 2.562 20 5 EFBDLO Nc1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000103963925 472651790 /nfs/dbraw/zinc/65/17/90/472651790.db2.gz IEZXORCQKFFEDV-UHFFFAOYSA-N 1 2 341.302 2.959 20 5 EFBDLO CCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000060493771 472661736 /nfs/dbraw/zinc/66/17/36/472661736.db2.gz IHDRYBSOKAGRCJ-UHFFFAOYSA-N 1 2 341.795 2.688 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148726 472668438 /nfs/dbraw/zinc/66/84/38/472668438.db2.gz SEXOJERORGVZMP-UHFFFAOYSA-N 1 2 334.335 2.983 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120447936 472690871 /nfs/dbraw/zinc/69/08/71/472690871.db2.gz GFOGVLWLDPOBCH-STQMWFEESA-N 1 2 347.415 2.683 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000120447936 472690876 /nfs/dbraw/zinc/69/08/76/472690876.db2.gz GFOGVLWLDPOBCH-STQMWFEESA-N 1 2 347.415 2.683 20 5 EFBDLO Cc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000078444731 472716721 /nfs/dbraw/zinc/71/67/21/472716721.db2.gz RPBCJBLTWXPBEW-UHFFFAOYSA-N 1 2 332.429 2.678 20 5 EFBDLO COc1ccccc1C[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078658912 472749711 /nfs/dbraw/zinc/74/97/11/472749711.db2.gz WDVXRHZGXWRXJG-UHFFFAOYSA-N 1 2 342.399 2.629 20 5 EFBDLO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(F)F ZINC000133321209 472791768 /nfs/dbraw/zinc/79/17/68/472791768.db2.gz DQSAERDGHPTDGH-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(F)F ZINC000133321209 472791774 /nfs/dbraw/zinc/79/17/74/472791774.db2.gz DQSAERDGHPTDGH-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000121238611 472821016 /nfs/dbraw/zinc/82/10/16/472821016.db2.gz DPPLNKXRXDYEIX-UHFFFAOYSA-N 1 2 333.413 2.987 20 5 EFBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000133599910 472821955 /nfs/dbraw/zinc/82/19/55/472821955.db2.gz ALLIJJKOLYUMAY-UHFFFAOYSA-N 1 2 334.420 2.517 20 5 EFBDLO CC(C)C[N@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092011030 472841553 /nfs/dbraw/zinc/84/15/53/472841553.db2.gz XUHYVNDJFHCCBK-UHFFFAOYSA-N 1 2 348.428 2.662 20 5 EFBDLO CC(C)C[N@@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092011030 472841558 /nfs/dbraw/zinc/84/15/58/472841558.db2.gz XUHYVNDJFHCCBK-UHFFFAOYSA-N 1 2 348.428 2.662 20 5 EFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134033158 472866715 /nfs/dbraw/zinc/86/67/15/472866715.db2.gz JDJQIALIWHMFKG-ABAIWWIYSA-N 1 2 331.332 2.787 20 5 EFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000073745500 472866791 /nfs/dbraw/zinc/86/67/91/472866791.db2.gz XNEJFZPITFFDDP-UHFFFAOYSA-N 1 2 348.790 2.754 20 5 EFBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134380168 472901790 /nfs/dbraw/zinc/90/17/90/472901790.db2.gz XPYPBJOBLVBISF-UHFFFAOYSA-N 1 2 337.767 2.999 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000106870404 472902005 /nfs/dbraw/zinc/90/20/05/472902005.db2.gz FOVGIEMYRUSKST-NSHDSACASA-N 1 2 327.406 2.755 20 5 EFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000106870404 472902012 /nfs/dbraw/zinc/90/20/12/472902012.db2.gz FOVGIEMYRUSKST-NSHDSACASA-N 1 2 327.406 2.755 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+](CC(F)F)C2CC2)cccc1[N+](=O)[O-] ZINC000106871626 472903701 /nfs/dbraw/zinc/90/37/01/472903701.db2.gz QIRKBYHPHWKRRV-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+](CC(F)F)C2CC2)cccc1[N+](=O)[O-] ZINC000106871626 472903706 /nfs/dbraw/zinc/90/37/06/472903706.db2.gz QIRKBYHPHWKRRV-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000048939330 472919304 /nfs/dbraw/zinc/91/93/04/472919304.db2.gz PZGOYZSPFZAWHY-UHFFFAOYSA-N 1 2 344.371 2.893 20 5 EFBDLO Cc1ccc2[nH+]c(Cn3cc(Br)c([N+](=O)[O-])n3)cn2c1 ZINC000049494038 472952175 /nfs/dbraw/zinc/95/21/75/472952175.db2.gz XHWVFKWMWBQTJM-UHFFFAOYSA-N 1 2 336.149 2.558 20 5 EFBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730258 472973925 /nfs/dbraw/zinc/97/39/25/472973925.db2.gz MBDPUCXDLQSCEG-KBPBESRZSA-N 1 2 349.431 2.817 20 5 EFBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092730258 472973933 /nfs/dbraw/zinc/97/39/33/472973933.db2.gz MBDPUCXDLQSCEG-KBPBESRZSA-N 1 2 349.431 2.817 20 5 EFBDLO CNC(=O)c1ccc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000092826025 472994923 /nfs/dbraw/zinc/99/49/23/472994923.db2.gz SBGKDZCDNGUYDA-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO Cn1cnc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000092851250 472998092 /nfs/dbraw/zinc/99/80/92/472998092.db2.gz OPPAXXXJIFCCTQ-UHFFFAOYSA-N 1 2 329.385 2.742 20 5 EFBDLO Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092977669 473015778 /nfs/dbraw/zinc/01/57/78/473015778.db2.gz UPRLRECEAOKJKN-XHDPSFHLSA-N 1 2 328.372 2.567 20 5 EFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)oc1C ZINC000051153636 473028298 /nfs/dbraw/zinc/02/82/98/473028298.db2.gz WMILMSLJRYOCJG-UHFFFAOYSA-N 1 2 348.355 2.923 20 5 EFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)oc1C ZINC000051153636 473028304 /nfs/dbraw/zinc/02/83/04/473028304.db2.gz WMILMSLJRYOCJG-UHFFFAOYSA-N 1 2 348.355 2.923 20 5 EFBDLO COc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000051502333 473052884 /nfs/dbraw/zinc/05/28/84/473052884.db2.gz DARBWCBOGMEBJV-UHFFFAOYSA-N 1 2 331.372 2.514 20 5 EFBDLO Cc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000080600727 473054138 /nfs/dbraw/zinc/05/41/38/473054138.db2.gz BCXDLTONWRVUFP-UHFFFAOYSA-N 1 2 329.282 2.693 20 5 EFBDLO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074739344 473054617 /nfs/dbraw/zinc/05/46/17/473054617.db2.gz OYJKGTOOVHUMFB-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO Cc1csc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000051880026 473070719 /nfs/dbraw/zinc/07/07/19/473070719.db2.gz ILDYCEUTTBLJEN-UHFFFAOYSA-N 1 2 348.428 2.561 20 5 EFBDLO CCOc1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000080762690 473079132 /nfs/dbraw/zinc/07/91/32/473079132.db2.gz MWJNJHCMCIAYPY-UHFFFAOYSA-N 1 2 328.372 2.715 20 5 EFBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093360054 473093282 /nfs/dbraw/zinc/09/32/82/473093282.db2.gz VGRXVTCGEWDXKV-LLVKDONJSA-N 1 2 339.392 2.645 20 5 EFBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093360054 473093287 /nfs/dbraw/zinc/09/32/87/473093287.db2.gz VGRXVTCGEWDXKV-LLVKDONJSA-N 1 2 339.392 2.645 20 5 EFBDLO C[C@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245296 473096890 /nfs/dbraw/zinc/09/68/90/473096890.db2.gz JOXMNTMQEWDJFM-ZDUSSCGKSA-N 1 2 328.372 2.827 20 5 EFBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000066563539 473114261 /nfs/dbraw/zinc/11/42/61/473114261.db2.gz XYEAHLXXQHDKOI-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000066563539 473114268 /nfs/dbraw/zinc/11/42/68/473114268.db2.gz XYEAHLXXQHDKOI-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000066565098 473114995 /nfs/dbraw/zinc/11/49/95/473114995.db2.gz WTARVBAGPACEKL-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000066565098 473114999 /nfs/dbraw/zinc/11/49/99/473114999.db2.gz WTARVBAGPACEKL-UHFFFAOYSA-N 1 2 334.401 2.739 20 5 EFBDLO Cc1nc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)sc1C ZINC000093688824 473134409 /nfs/dbraw/zinc/13/44/09/473134409.db2.gz OETHTQJTBMSMOT-UHFFFAOYSA-N 1 2 348.428 2.696 20 5 EFBDLO CSc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000136203883 473143489 /nfs/dbraw/zinc/14/34/89/473143489.db2.gz SILFJTDTSPSZJQ-UHFFFAOYSA-N 1 2 346.412 2.944 20 5 EFBDLO CC(C)c1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000110216424 473147427 /nfs/dbraw/zinc/14/74/27/473147427.db2.gz KAGKPQFLWLEXFT-UHFFFAOYSA-N 1 2 327.388 2.835 20 5 EFBDLO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)o1 ZINC000052994138 473173096 /nfs/dbraw/zinc/17/30/96/473173096.db2.gz YHLWSASEQKUZCM-UHFFFAOYSA-N 1 2 329.356 2.760 20 5 EFBDLO Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)o1 ZINC000052994138 473173100 /nfs/dbraw/zinc/17/31/00/473173100.db2.gz YHLWSASEQKUZCM-UHFFFAOYSA-N 1 2 329.356 2.760 20 5 EFBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000110799539 473176590 /nfs/dbraw/zinc/17/65/90/473176590.db2.gz AUKLKULKJSOUHQ-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO CCc1nn(C)c(NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000094149957 473180393 /nfs/dbraw/zinc/18/03/93/473180393.db2.gz PUASGZAYVZGMRD-UHFFFAOYSA-N 1 2 340.387 2.963 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160831608 473180626 /nfs/dbraw/zinc/18/06/26/473180626.db2.gz FFQSJOSXKSCXQC-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO CCc1nn(C)c(NCc2ccc(N(CC)CC)[nH+]c2)c1[N+](=O)[O-] ZINC000094137038 473181055 /nfs/dbraw/zinc/18/10/55/473181055.db2.gz GWHQFHVSJRBXSS-UHFFFAOYSA-N 1 2 332.408 2.744 20 5 EFBDLO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000177724650 473423873 /nfs/dbraw/zinc/42/38/73/473423873.db2.gz XMZUVDBAOKSTKJ-DOMZBBRYSA-N 1 2 329.360 2.906 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000163302110 473431312 /nfs/dbraw/zinc/43/13/12/473431312.db2.gz DCAAXAQLWQMZTH-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000191170346 473497259 /nfs/dbraw/zinc/49/72/59/473497259.db2.gz DGYSAWUPWXDKAY-INIZCTEOSA-N 1 2 332.429 2.927 20 5 EFBDLO Cc1c(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000191170346 473497265 /nfs/dbraw/zinc/49/72/65/473497265.db2.gz DGYSAWUPWXDKAY-INIZCTEOSA-N 1 2 332.429 2.927 20 5 EFBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000172003055 473497842 /nfs/dbraw/zinc/49/78/42/473497842.db2.gz DWNYTCCFCONVGC-UHFFFAOYSA-N 1 2 334.401 2.712 20 5 EFBDLO C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126450762 473518407 /nfs/dbraw/zinc/51/84/07/473518407.db2.gz YJBXOEXBZCJMLH-NNJOLFNFSA-N 1 2 340.383 2.914 20 5 EFBDLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185860155 473532678 /nfs/dbraw/zinc/53/26/78/473532678.db2.gz NDGNBMRFCHWRLU-CYBMUJFWSA-N 1 2 333.388 2.509 20 5 EFBDLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185860155 473532683 /nfs/dbraw/zinc/53/26/83/473532683.db2.gz NDGNBMRFCHWRLU-CYBMUJFWSA-N 1 2 333.388 2.509 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000170617862 473566591 /nfs/dbraw/zinc/56/65/91/473566591.db2.gz IWEXMUBCBHAZTL-UHFFFAOYSA-N 1 2 339.355 2.718 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2NC1=O ZINC000191889388 473586285 /nfs/dbraw/zinc/58/62/85/473586285.db2.gz PPGBNNHUNCDYST-QGZVFWFLSA-N 1 2 325.368 2.980 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2NC1=O ZINC000191889388 473586289 /nfs/dbraw/zinc/58/62/89/473586289.db2.gz PPGBNNHUNCDYST-QGZVFWFLSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127824309 473654319 /nfs/dbraw/zinc/65/43/19/473654319.db2.gz MXEOUFFRIYROEN-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127824309 473654324 /nfs/dbraw/zinc/65/43/24/473654324.db2.gz MXEOUFFRIYROEN-ZDUSSCGKSA-N 1 2 340.383 2.572 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000192247492 473656123 /nfs/dbraw/zinc/65/61/23/473656123.db2.gz FLXCBIVSFYTZPJ-UHFFFAOYSA-N 1 2 344.415 2.835 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000127941781 473666412 /nfs/dbraw/zinc/66/64/12/473666412.db2.gz CRCMFKTZMYXVNV-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000127941781 473666416 /nfs/dbraw/zinc/66/64/16/473666416.db2.gz CRCMFKTZMYXVNV-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000192543827 473690811 /nfs/dbraw/zinc/69/08/11/473690811.db2.gz AJBMZIMTVAMSBX-UHFFFAOYSA-N 1 2 333.392 2.776 20 5 EFBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597750 473697795 /nfs/dbraw/zinc/69/77/95/473697795.db2.gz BQCHMVCOFORVBQ-CQSZACIVSA-N 1 2 340.445 2.727 20 5 EFBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597750 473697798 /nfs/dbraw/zinc/69/77/98/473697798.db2.gz BQCHMVCOFORVBQ-CQSZACIVSA-N 1 2 340.445 2.727 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172909532 473701545 /nfs/dbraw/zinc/70/15/45/473701545.db2.gz CBQWFCMTDQPDJL-CYBMUJFWSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172909532 473701552 /nfs/dbraw/zinc/70/15/52/473701552.db2.gz CBQWFCMTDQPDJL-CYBMUJFWSA-N 1 2 325.368 2.980 20 5 EFBDLO COc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000192755492 473720193 /nfs/dbraw/zinc/72/01/93/473720193.db2.gz WXZUPACAFYPXOH-JSGCOSHPSA-N 1 2 344.371 2.523 20 5 EFBDLO Cc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000192768855 473722192 /nfs/dbraw/zinc/72/21/92/473722192.db2.gz NHMUVUJLTFJWCW-MRXNPFEDSA-N 1 2 346.387 2.564 20 5 EFBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000179824851 473737482 /nfs/dbraw/zinc/73/74/82/473737482.db2.gz WYKDPDSLEKMAPF-QWHCGFSZSA-N 1 2 328.372 2.899 20 5 EFBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180271039 473842442 /nfs/dbraw/zinc/84/24/42/473842442.db2.gz DIVAGAPNGWSFAO-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180271039 473842449 /nfs/dbraw/zinc/84/24/49/473842449.db2.gz DIVAGAPNGWSFAO-UHFFFAOYSA-N 1 2 326.356 2.593 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180272165 473844260 /nfs/dbraw/zinc/84/42/60/473844260.db2.gz XXOZHSYYOVPBHL-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180272165 473844267 /nfs/dbraw/zinc/84/42/67/473844267.db2.gz XXOZHSYYOVPBHL-UHFFFAOYSA-N 1 2 340.383 2.901 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3noc4c3CCCC4)C2)nc1 ZINC000173472897 473848001 /nfs/dbraw/zinc/84/80/01/473848001.db2.gz NSUJMQFUZIIQJU-GFCCVEGCSA-N 1 2 343.387 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3noc4c3CCCC4)C2)nc1 ZINC000173472897 473848007 /nfs/dbraw/zinc/84/80/07/473848007.db2.gz NSUJMQFUZIIQJU-GFCCVEGCSA-N 1 2 343.387 2.543 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)Cn2c3ccccc3[nH+]c2CCCO)c1 ZINC000269677229 473857757 /nfs/dbraw/zinc/85/77/57/473857757.db2.gz PYFRIJKPYNXDEV-QGZVFWFLSA-N 1 2 341.367 2.603 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccncc3Cl)CC2)c1 ZINC000173526306 473867003 /nfs/dbraw/zinc/86/70/03/473867003.db2.gz UZGJGWBGSGQUMK-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269845953 473895251 /nfs/dbraw/zinc/89/52/51/473895251.db2.gz DFEGNMGJBJPENV-CQSZACIVSA-N 1 2 328.372 2.827 20 5 EFBDLO Cc1csc(=O)n1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000194428911 473896858 /nfs/dbraw/zinc/89/68/58/473896858.db2.gz WHZHZDSNQDUWQS-UHFFFAOYSA-N 1 2 341.820 2.912 20 5 EFBDLO Cc1csc(=O)n1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000194428911 473896863 /nfs/dbraw/zinc/89/68/63/473896863.db2.gz WHZHZDSNQDUWQS-UHFFFAOYSA-N 1 2 341.820 2.912 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000263975251 473924483 /nfs/dbraw/zinc/92/44/83/473924483.db2.gz NUIBAFDSPSWYLL-CQSZACIVSA-N 1 2 348.428 2.845 20 5 EFBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 ZINC000173964660 473965232 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20 5 EFBDLO COc1ccc(NC(=O)C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000288887771 474080852 /nfs/dbraw/zinc/08/08/52/474080852.db2.gz RPEZQTRQIBDTBS-UHFFFAOYSA-N 1 2 345.355 2.583 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000182025731 474083015 /nfs/dbraw/zinc/08/30/15/474083015.db2.gz SZFGHSLPAOVLPJ-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000182046446 474087503 /nfs/dbraw/zinc/08/75/03/474087503.db2.gz WPNBYPHOWNFPET-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2occc2C1 ZINC000288953817 474102026 /nfs/dbraw/zinc/10/20/26/474102026.db2.gz XSVUPGIDESBXRM-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCc2occc2C1 ZINC000288953817 474102031 /nfs/dbraw/zinc/10/20/31/474102031.db2.gz XSVUPGIDESBXRM-LBPRGKRZSA-N 1 2 329.356 2.963 20 5 EFBDLO CCOC(=O)c1ccnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000174995927 474128798 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O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2nccs2)c2ccccc2)n1 ZINC000176220837 474413962 /nfs/dbraw/zinc/41/39/62/474413962.db2.gz NLXOLJNBEJWGHB-AWEZNQCLSA-N 1 2 329.385 2.627 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248757677 474428364 /nfs/dbraw/zinc/42/83/64/474428364.db2.gz KIYSZQIBHKKLTG-YCPHGPKFSA-N 1 2 333.432 2.968 20 5 EFBDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248757677 474428369 /nfs/dbraw/zinc/42/83/69/474428369.db2.gz KIYSZQIBHKKLTG-YCPHGPKFSA-N 1 2 333.432 2.968 20 5 EFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881883 474470006 /nfs/dbraw/zinc/47/00/06/474470006.db2.gz RJNRLGJUPCMOAZ-JTQLQIEISA-N 1 2 328.315 2.938 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881883 474470016 /nfs/dbraw/zinc/47/00/16/474470016.db2.gz RJNRLGJUPCMOAZ-JTQLQIEISA-N 1 2 328.315 2.938 20 5 EFBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276273710 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348.428 2.845 20 5 EFBDLO CCc1nn(C)c(NCCc2[nH+]c3ccccc3n2CC)c1[N+](=O)[O-] ZINC000271370928 474515041 /nfs/dbraw/zinc/51/50/41/474515041.db2.gz ZGZCVMUMGJMMTQ-UHFFFAOYSA-N 1 2 342.403 2.915 20 5 EFBDLO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)C1CC1 ZINC000266943083 474540623 /nfs/dbraw/zinc/54/06/23/474540623.db2.gz XCJHCFCLMLGXMC-UHFFFAOYSA-N 1 2 337.807 2.739 20 5 EFBDLO C[C@H]1CCSCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190073272 474544425 /nfs/dbraw/zinc/54/44/25/474544425.db2.gz YSORPAISMFYUDI-LBPRGKRZSA-N 1 2 346.412 2.748 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190079877 474544468 /nfs/dbraw/zinc/54/44/68/474544468.db2.gz SGSDCSJSEBSIJC-GFCCVEGCSA-N 1 2 329.356 2.517 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190079877 474544474 /nfs/dbraw/zinc/54/44/74/474544474.db2.gz SGSDCSJSEBSIJC-GFCCVEGCSA-N 1 2 329.356 2.517 20 5 EFBDLO CCS(=O)(=O)CCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000190312199 474576421 /nfs/dbraw/zinc/57/64/21/474576421.db2.gz YSGQQFWBKUODLC-UHFFFAOYSA-N 1 2 328.434 2.632 20 5 EFBDLO CCS(=O)(=O)CCCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000190312199 474576423 /nfs/dbraw/zinc/57/64/23/474576423.db2.gz YSGQQFWBKUODLC-UHFFFAOYSA-N 1 2 328.434 2.632 20 5 EFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184682460 474583799 /nfs/dbraw/zinc/58/37/99/474583799.db2.gz ZLTOZSKFGUGROS-IUODEOHRSA-N 1 2 347.371 2.801 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000249718192 474607028 /nfs/dbraw/zinc/60/70/28/474607028.db2.gz KIHKOIDFHINCFU-WQVCFCJDSA-N 1 2 348.399 2.910 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000249718192 474607029 /nfs/dbraw/zinc/60/70/29/474607029.db2.gz KIHKOIDFHINCFU-WQVCFCJDSA-N 1 2 348.399 2.910 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000284275849 474607817 /nfs/dbraw/zinc/60/78/17/474607817.db2.gz XQIXLTVURPQABW-MRXNPFEDSA-N 1 2 331.328 2.668 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000284275849 474607822 /nfs/dbraw/zinc/60/78/22/474607822.db2.gz XQIXLTVURPQABW-MRXNPFEDSA-N 1 2 331.328 2.668 20 5 EFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184806098 474612185 /nfs/dbraw/zinc/61/21/85/474612185.db2.gz XFFZVOVJYSWSPX-AWEZNQCLSA-N 1 2 347.371 2.666 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131339 480115658 /nfs/dbraw/zinc/11/56/58/480115658.db2.gz NNNYHGICJFQQNV-CQSZACIVSA-N 1 2 346.412 2.747 20 5 EFBDLO Cc1cc(N(C)C[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267279854 474636499 /nfs/dbraw/zinc/63/64/99/474636499.db2.gz OQIHKUUZWUYYEU-ZDUSSCGKSA-N 1 2 328.372 2.833 20 5 EFBDLO COC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000292839366 474668130 /nfs/dbraw/zinc/66/81/30/474668130.db2.gz PLJMFYQYOUINHI-UHFFFAOYSA-N 1 2 334.294 2.997 20 5 EFBDLO COC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000292839366 474668135 /nfs/dbraw/zinc/66/81/35/474668135.db2.gz PLJMFYQYOUINHI-UHFFFAOYSA-N 1 2 334.294 2.997 20 5 EFBDLO CC[C@H](O)C[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000252483411 474670143 /nfs/dbraw/zinc/67/01/43/474670143.db2.gz FAXHWVAGRDKCNI-NSHDSACASA-N 1 2 348.230 2.795 20 5 EFBDLO CCc1cc(N[C@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340790424 474670480 /nfs/dbraw/zinc/67/04/80/474670480.db2.gz XRVVQIHQQBLNAU-NEPJUHHUSA-N 1 2 330.388 2.607 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000273036522 474682583 /nfs/dbraw/zinc/68/25/83/474682583.db2.gz ZUAHGAAPLPLREG-OAHLLOKOSA-N 1 2 341.415 2.885 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000267890246 474697400 /nfs/dbraw/zinc/69/74/00/474697400.db2.gz HHPABLQIGXFORW-HZPDHXFCSA-N 1 2 348.424 2.981 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000267890246 474697411 /nfs/dbraw/zinc/69/74/11/474697411.db2.gz HHPABLQIGXFORW-HZPDHXFCSA-N 1 2 348.424 2.981 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1Cc1ccccc1 ZINC000284639790 474701408 /nfs/dbraw/zinc/70/14/08/474701408.db2.gz KGLOZMHXJMHLAQ-AWEZNQCLSA-N 1 2 345.424 2.655 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1Cc1ccccc1 ZINC000284639790 474701416 /nfs/dbraw/zinc/70/14/16/474701416.db2.gz KGLOZMHXJMHLAQ-AWEZNQCLSA-N 1 2 345.424 2.655 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000292901853 474704902 /nfs/dbraw/zinc/70/49/02/474704902.db2.gz BTUJDWPHUWOGHH-RYUDHWBXSA-N 1 2 325.796 2.548 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305172691 474710441 /nfs/dbraw/zinc/71/04/41/474710441.db2.gz UPNXOULKTZVBKF-CYBMUJFWSA-N 1 2 336.285 2.869 20 5 EFBDLO CC(C)n1nccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000337135947 474728382 /nfs/dbraw/zinc/72/83/82/474728382.db2.gz OCGXMGOARAGSDF-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278607399 474732543 /nfs/dbraw/zinc/73/25/43/474732543.db2.gz GCRRCEOSFUWTNK-UHFFFAOYSA-N 1 2 348.794 2.710 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000278616593 474737722 /nfs/dbraw/zinc/73/77/22/474737722.db2.gz GYNWHLVONBLJGF-PMGBHYCQSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000278616593 474737732 /nfs/dbraw/zinc/73/77/32/474737732.db2.gz GYNWHLVONBLJGF-PMGBHYCQSA-N 1 2 338.429 2.507 20 5 EFBDLO CCC[N@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338930050 474743193 /nfs/dbraw/zinc/74/31/93/474743193.db2.gz UDUTXCUYJRAXCY-UHFFFAOYSA-N 1 2 334.294 2.999 20 5 EFBDLO CCC[N@@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338930050 474743201 /nfs/dbraw/zinc/74/32/01/474743201.db2.gz UDUTXCUYJRAXCY-UHFFFAOYSA-N 1 2 334.294 2.999 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1Br ZINC000293069238 474795381 /nfs/dbraw/zinc/79/53/81/474795381.db2.gz IWXOZRLFPMQGTM-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1Br ZINC000293069238 474795388 /nfs/dbraw/zinc/79/53/88/474795388.db2.gz IWXOZRLFPMQGTM-NSHDSACASA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000284782578 474770803 /nfs/dbraw/zinc/77/08/03/474770803.db2.gz YHDXUFJEKQNNKC-IMJJTQAJSA-N 1 2 340.807 2.610 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000284782578 474770806 /nfs/dbraw/zinc/77/08/06/474770806.db2.gz YHDXUFJEKQNNKC-IMJJTQAJSA-N 1 2 340.807 2.610 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000309895905 474820263 /nfs/dbraw/zinc/82/02/63/474820263.db2.gz NSZSSLBECOMCTK-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000337251780 474827210 /nfs/dbraw/zinc/82/72/10/474827210.db2.gz NZXIVNRGHNESGN-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000609222328 480128446 /nfs/dbraw/zinc/12/84/46/480128446.db2.gz BDKPIIXRGFJJHY-UHFFFAOYSA-N 1 2 326.356 2.780 20 5 EFBDLO NC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000292113756 474855220 /nfs/dbraw/zinc/85/52/20/474855220.db2.gz HIJXBYNWISOCBK-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000292113756 474855230 /nfs/dbraw/zinc/85/52/30/474855230.db2.gz HIJXBYNWISOCBK-UHFFFAOYSA-N 1 2 343.358 2.997 20 5 EFBDLO Cn1nccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339144527 474974501 /nfs/dbraw/zinc/97/45/01/474974501.db2.gz TVCSVNIKWDKBOX-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO Cn1nccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339144527 474974508 /nfs/dbraw/zinc/97/45/08/474974508.db2.gz TVCSVNIKWDKBOX-UHFFFAOYSA-N 1 2 328.294 2.979 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000337420324 474998298 /nfs/dbraw/zinc/99/82/98/474998298.db2.gz WBCXITDZLDEHGG-NFBGWVBBSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000337420324 474998305 /nfs/dbraw/zinc/99/83/05/474998305.db2.gz WBCXITDZLDEHGG-NFBGWVBBSA-N 1 2 338.429 2.507 20 5 EFBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000339168817 474999019 /nfs/dbraw/zinc/99/90/19/474999019.db2.gz DNMBMTJABIYQLV-QGZVFWFLSA-N 1 2 341.411 2.659 20 5 EFBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000339168817 474999027 /nfs/dbraw/zinc/99/90/27/474999027.db2.gz DNMBMTJABIYQLV-QGZVFWFLSA-N 1 2 341.411 2.659 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292404104 475009556 /nfs/dbraw/zinc/00/95/56/475009556.db2.gz UAZAMENRDAFLAV-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292404104 475009565 /nfs/dbraw/zinc/00/95/65/475009565.db2.gz UAZAMENRDAFLAV-UHFFFAOYSA-N 1 2 347.371 2.965 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000339222126 475054099 /nfs/dbraw/zinc/05/40/99/475054099.db2.gz SVCZEIDLHHOSSZ-UHFFFAOYSA-N 1 2 342.395 2.827 20 5 EFBDLO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000337482878 475058594 /nfs/dbraw/zinc/05/85/94/475058594.db2.gz XCRSZTWMYSSNPB-NSHDSACASA-N 1 2 327.331 2.901 20 5 EFBDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000337482878 475058604 /nfs/dbraw/zinc/05/86/04/475058604.db2.gz XCRSZTWMYSSNPB-NSHDSACASA-N 1 2 327.331 2.901 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292660454 475138592 /nfs/dbraw/zinc/13/85/92/475138592.db2.gz KVCSOFZAWZBMDV-UHFFFAOYSA-N 1 2 342.277 2.630 20 5 EFBDLO Cc1c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295972273 475150642 /nfs/dbraw/zinc/15/06/42/475150642.db2.gz SNBKMYOUSZSENS-CQSZACIVSA-N 1 2 328.372 2.860 20 5 EFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337583780 475153983 /nfs/dbraw/zinc/15/39/83/475153983.db2.gz JYRQYTPRQUXYIX-MRXNPFEDSA-N 1 2 347.321 2.660 20 5 EFBDLO CCc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341688688 475224251 /nfs/dbraw/zinc/22/42/51/475224251.db2.gz JRKVLDWSZZISLV-HNNXBMFYSA-N 1 2 328.372 2.772 20 5 EFBDLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc([N+](=O)[O-])c1C ZINC000341689707 475225162 /nfs/dbraw/zinc/22/51/62/475225162.db2.gz MAUQKGXCVUDFLS-HNNXBMFYSA-N 1 2 344.371 2.526 20 5 EFBDLO CSc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341705973 475237123 /nfs/dbraw/zinc/23/71/23/475237123.db2.gz PIMIUUFFSQGXLV-AWEZNQCLSA-N 1 2 346.412 2.931 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000339477497 475244687 /nfs/dbraw/zinc/24/46/87/475244687.db2.gz XHVNAZAGSDPTJQ-LLVKDONJSA-N 1 2 340.339 2.704 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000352406576 475262989 /nfs/dbraw/zinc/26/29/89/475262989.db2.gz ROICTVDABACUJC-OAHLLOKOSA-N 1 2 343.431 2.516 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1c1nncn1C ZINC000347357014 475263807 /nfs/dbraw/zinc/26/38/07/475263807.db2.gz DVIHNCZYCMHOJD-OVHOFWQVSA-N 1 2 327.388 2.964 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000347357014 475263810 /nfs/dbraw/zinc/26/38/10/475263810.db2.gz DVIHNCZYCMHOJD-OVHOFWQVSA-N 1 2 327.388 2.964 20 5 EFBDLO Cn1c[nH+]cc1Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000357937633 475276067 /nfs/dbraw/zinc/27/60/67/475276067.db2.gz QGMXMKWCKHXOSW-HYXAFXHYSA-N 1 2 329.291 2.612 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000347376717 475279301 /nfs/dbraw/zinc/27/93/01/475279301.db2.gz OLDOLUPXCULKCI-OVHOFWQVSA-N 1 2 338.429 2.507 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000347376717 475279304 /nfs/dbraw/zinc/27/93/04/475279304.db2.gz OLDOLUPXCULKCI-OVHOFWQVSA-N 1 2 338.429 2.507 20 5 EFBDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000339542744 475290176 /nfs/dbraw/zinc/29/01/76/475290176.db2.gz ZTQQPZOUTNZLBC-JSGCOSHPSA-N 1 2 343.387 2.588 20 5 EFBDLO C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358038246 475354411 /nfs/dbraw/zinc/35/44/11/475354411.db2.gz NQHCDRNVKSRROW-CHWSQXEVSA-N 1 2 328.372 2.947 20 5 EFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341876117 475376337 /nfs/dbraw/zinc/37/63/37/475376337.db2.gz OGCUWONDYBNBHH-UHFFFAOYSA-N 1 2 336.351 2.770 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339657381 475383779 /nfs/dbraw/zinc/38/37/79/475383779.db2.gz KNYNQHWXLDDLLM-ZDUSSCGKSA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339657381 475383784 /nfs/dbraw/zinc/38/37/84/475383784.db2.gz KNYNQHWXLDDLLM-ZDUSSCGKSA-N 1 2 336.779 2.635 20 5 EFBDLO CC[C@H](O)CCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339684687 475409293 /nfs/dbraw/zinc/40/92/93/475409293.db2.gz UPIJOMBBYOWVPC-HNNXBMFYSA-N 1 2 330.388 2.745 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800500 475420806 /nfs/dbraw/zinc/42/08/06/475420806.db2.gz FDBAQNODJVSVEJ-IDTUSYRASA-N 1 2 344.371 2.930 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000354800500 475420813 /nfs/dbraw/zinc/42/08/13/475420813.db2.gz FDBAQNODJVSVEJ-IDTUSYRASA-N 1 2 344.371 2.930 20 5 EFBDLO COC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000339699307 475421695 /nfs/dbraw/zinc/42/16/95/475421695.db2.gz AILVPZXMYPXHIG-HNNXBMFYSA-N 1 2 328.372 2.619 20 5 EFBDLO CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1[nH]cc[nH+]1 ZINC000296679961 475425986 /nfs/dbraw/zinc/42/59/86/475425986.db2.gz IBPFDCOSRPSHJB-AWEZNQCLSA-N 1 2 349.366 2.650 20 5 EFBDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331892685 475449018 /nfs/dbraw/zinc/44/90/18/475449018.db2.gz HVSHUKCLUZIUFC-LLVKDONJSA-N 1 2 348.407 2.870 20 5 EFBDLO Cc1ccc2[nH+]c(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cn2c1 ZINC000352620089 475465738 /nfs/dbraw/zinc/46/57/38/475465738.db2.gz ACTZHMWPBXRZBV-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO CC(C)(C)OC(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621173 475466048 /nfs/dbraw/zinc/46/60/48/475466048.db2.gz MWQRMNDIEHKJFX-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CC(C)(C)OC(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621173 475466054 /nfs/dbraw/zinc/46/60/54/475466054.db2.gz MWQRMNDIEHKJFX-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953487 475467673 /nfs/dbraw/zinc/46/76/73/475467673.db2.gz KVIFXSBTXDXFCJ-WPGHFRTFSA-N 1 2 334.372 2.607 20 5 EFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953487 475467681 /nfs/dbraw/zinc/46/76/81/475467681.db2.gz KVIFXSBTXDXFCJ-WPGHFRTFSA-N 1 2 334.372 2.607 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2cscn2)CC1 ZINC000352652048 475493621 /nfs/dbraw/zinc/49/36/21/475493621.db2.gz KXNZVYHMSDRDSD-HYXAFXHYSA-N 1 2 344.440 2.882 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248148 475521785 /nfs/dbraw/zinc/52/17/85/475521785.db2.gz ORCFIMZXHXQTGK-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000348248148 475521791 /nfs/dbraw/zinc/52/17/91/475521791.db2.gz ORCFIMZXHXQTGK-NHYWBVRUSA-N 1 2 326.780 2.628 20 5 EFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000332230073 475565850 /nfs/dbraw/zinc/56/58/50/475565850.db2.gz LVCWPOBYODLIJW-LLVKDONJSA-N 1 2 348.428 2.895 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000348299836 475573444 /nfs/dbraw/zinc/57/34/44/475573444.db2.gz FLTAZIXRWCXOKT-UHFFFAOYSA-N 1 2 327.296 2.675 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000346401241 475595656 /nfs/dbraw/zinc/59/56/56/475595656.db2.gz RCGPLIROYQGYGF-UHFFFAOYSA-N 1 2 346.390 2.536 20 5 EFBDLO COc1cc(CN2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])cc1F ZINC000361610271 475596794 /nfs/dbraw/zinc/59/67/94/475596794.db2.gz MFXCJTRBFMQTMT-UHFFFAOYSA-N 1 2 349.362 2.653 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000332355095 475612587 /nfs/dbraw/zinc/61/25/87/475612587.db2.gz TYGXFVSRWXVBIR-GUYCJALGSA-N 1 2 330.388 2.637 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000332355095 475612596 /nfs/dbraw/zinc/61/25/96/475612596.db2.gz TYGXFVSRWXVBIR-GUYCJALGSA-N 1 2 330.388 2.637 20 5 EFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000332378259 475618265 /nfs/dbraw/zinc/61/82/65/475618265.db2.gz FPBNQMROVMIGLK-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332384910 475622052 /nfs/dbraw/zinc/62/20/52/475622052.db2.gz BQVCMANHDXGTST-JTQLQIEISA-N 1 2 333.323 2.869 20 5 EFBDLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000346549301 475649818 /nfs/dbraw/zinc/64/98/18/475649818.db2.gz JXTIDJVQVALWJK-AAEUAGOBSA-N 1 2 344.346 2.840 20 5 EFBDLO COC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000355118154 475679399 /nfs/dbraw/zinc/67/93/99/475679399.db2.gz ZQBRSMKOKXXFGE-UHFFFAOYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000355118154 475679405 /nfs/dbraw/zinc/67/94/05/475679405.db2.gz ZQBRSMKOKXXFGE-UHFFFAOYSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)Cc1ccc(NCCc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000297328647 475708628 /nfs/dbraw/zinc/70/86/28/475708628.db2.gz ADPHKTLFBNOGGW-UHFFFAOYSA-N 1 2 329.356 2.668 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297362020 475723581 /nfs/dbraw/zinc/72/35/81/475723581.db2.gz GWKMCODQGVESJY-UHFFFAOYSA-N 1 2 339.392 2.560 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297362020 475723589 /nfs/dbraw/zinc/72/35/89/475723589.db2.gz GWKMCODQGVESJY-UHFFFAOYSA-N 1 2 339.392 2.560 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000353193835 475760266 /nfs/dbraw/zinc/76/02/66/475760266.db2.gz CBFZALALKAVPDP-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000353193835 475760275 /nfs/dbraw/zinc/76/02/75/475760275.db2.gz CBFZALALKAVPDP-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2[nH+]1 ZINC000340146168 475796467 /nfs/dbraw/zinc/79/64/67/475796467.db2.gz MUTXAUZKSGOYTH-UHFFFAOYSA-N 1 2 346.368 2.889 20 5 EFBDLO Cc1c([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000346729795 475807114 /nfs/dbraw/zinc/80/71/14/475807114.db2.gz FKRPSHXJYHZJGR-CYBMUJFWSA-N 1 2 338.371 2.730 20 5 EFBDLO CCO[C@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338378114 475842622 /nfs/dbraw/zinc/84/26/22/475842622.db2.gz HEABHPLQXYWYIZ-GFCCVEGCSA-N 1 2 334.376 2.750 20 5 EFBDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338378114 475842627 /nfs/dbraw/zinc/84/26/27/475842627.db2.gz HEABHPLQXYWYIZ-GFCCVEGCSA-N 1 2 334.376 2.750 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000353360383 475898374 /nfs/dbraw/zinc/89/83/74/475898374.db2.gz HLWRLZHLEPLWMA-ZDUSSCGKSA-N 1 2 333.323 2.740 20 5 EFBDLO COc1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1[N+](=O)[O-] ZINC000358755540 475909853 /nfs/dbraw/zinc/90/98/53/475909853.db2.gz TWZXJWVHAXAINL-MRXNPFEDSA-N 1 2 339.355 2.601 20 5 EFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000358768541 475921277 /nfs/dbraw/zinc/92/12/77/475921277.db2.gz LZJLFAORQXYVQQ-UHFFFAOYSA-N 1 2 326.312 2.650 20 5 EFBDLO C[NH+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000346871987 475928636 /nfs/dbraw/zinc/92/86/36/475928636.db2.gz QYESAPIOTUKQIR-MRXNPFEDSA-N 1 2 339.355 2.615 20 5 EFBDLO COC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343341467 475965792 /nfs/dbraw/zinc/96/57/92/475965792.db2.gz SGHWPVPZCTXHHG-NSHDSACASA-N 1 2 328.796 2.874 20 5 EFBDLO COC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343341467 475965802 /nfs/dbraw/zinc/96/58/02/475965802.db2.gz SGHWPVPZCTXHHG-NSHDSACASA-N 1 2 328.796 2.874 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000353459484 475987790 /nfs/dbraw/zinc/98/77/90/475987790.db2.gz IABPIKILKXAGSJ-AWEZNQCLSA-N 1 2 329.385 2.664 20 5 EFBDLO Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1[N+](=O)[O-] ZINC000343364648 475990798 /nfs/dbraw/zinc/99/07/98/475990798.db2.gz ZQYXVVCHLKVHJE-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000353474518 476000575 /nfs/dbraw/zinc/00/05/75/476000575.db2.gz UVMOTVXRIOEUIK-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000353474518 476000582 /nfs/dbraw/zinc/00/05/82/476000582.db2.gz UVMOTVXRIOEUIK-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000338572210 476016349 /nfs/dbraw/zinc/01/63/49/476016349.db2.gz KJTSGVINAWGWCP-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO COc1cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1SC ZINC000355551867 476027268 /nfs/dbraw/zinc/02/72/68/476027268.db2.gz IVAXQJRAFWBIEF-UHFFFAOYSA-N 1 2 336.417 2.691 20 5 EFBDLO COc1cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1SC ZINC000355551867 476027272 /nfs/dbraw/zinc/02/72/72/476027272.db2.gz IVAXQJRAFWBIEF-UHFFFAOYSA-N 1 2 336.417 2.691 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353534778 476054567 /nfs/dbraw/zinc/05/45/67/476054567.db2.gz USMISWBVDVCAON-GFCCVEGCSA-N 1 2 328.294 2.960 20 5 EFBDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000358973898 476080963 /nfs/dbraw/zinc/08/09/63/476080963.db2.gz INOJXCLZVHFPNT-OAHLLOKOSA-N 1 2 341.411 2.774 20 5 EFBDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000358973898 476080970 /nfs/dbraw/zinc/08/09/70/476080970.db2.gz INOJXCLZVHFPNT-OAHLLOKOSA-N 1 2 341.411 2.774 20 5 EFBDLO CCn1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000343940233 476136530 /nfs/dbraw/zinc/13/65/30/476136530.db2.gz DZCDASAKIOHJTH-UHFFFAOYSA-N 1 2 338.371 2.611 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000344175551 476166454 /nfs/dbraw/zinc/16/64/54/476166454.db2.gz GETFAQHBHWGWOW-KRWDZBQOSA-N 1 2 343.358 2.863 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000344175551 476166464 /nfs/dbraw/zinc/16/64/64/476166464.db2.gz GETFAQHBHWGWOW-KRWDZBQOSA-N 1 2 343.358 2.863 20 5 EFBDLO Cc1c(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000353666807 476169965 /nfs/dbraw/zinc/16/99/65/476169965.db2.gz QWNMJESEZHVGHR-HNNXBMFYSA-N 1 2 326.360 2.572 20 5 EFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353682441 476185325 /nfs/dbraw/zinc/18/53/25/476185325.db2.gz XIMRVIFWNJRIGH-UHFFFAOYSA-N 1 2 339.355 2.949 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CCC2 ZINC000347301352 476244163 /nfs/dbraw/zinc/24/41/63/476244163.db2.gz LLZAEXRUTVLEMQ-NSHDSACASA-N 1 2 347.350 2.938 20 5 EFBDLO CN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1=O ZINC000353753662 476248308 /nfs/dbraw/zinc/24/83/08/476248308.db2.gz XICNQEXGFYTMRC-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1=O ZINC000353753662 476248314 /nfs/dbraw/zinc/24/83/14/476248314.db2.gz XICNQEXGFYTMRC-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000362454853 476263773 /nfs/dbraw/zinc/26/37/73/476263773.db2.gz QVWFUZBFNWJDNB-UHFFFAOYSA-N 1 2 335.404 2.814 20 5 EFBDLO Cc1cc(C2=CC[N@H+](Cc3ccn(C)n3)CC2)cc([N+](=O)[O-])c1N ZINC000359871901 476268738 /nfs/dbraw/zinc/26/87/38/476268738.db2.gz KGUUACHGLJQPCY-UHFFFAOYSA-N 1 2 327.388 2.508 20 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/nfs/dbraw/zinc/34/98/68/476349868.db2.gz WZACMDVVROJUJQ-GFCCVEGCSA-N 1 2 345.346 2.719 20 5 EFBDLO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000362682167 476349872 /nfs/dbraw/zinc/34/98/72/476349872.db2.gz WZACMDVVROJUJQ-GFCCVEGCSA-N 1 2 345.346 2.719 20 5 EFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000360797810 476394772 /nfs/dbraw/zinc/39/47/72/476394772.db2.gz CNYGSFBMISHELM-UHFFFAOYSA-N 1 2 340.343 2.724 20 5 EFBDLO CCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000354139263 476455239 /nfs/dbraw/zinc/45/52/39/476455239.db2.gz SNRXYTPFLSWFGM-UHFFFAOYSA-N 1 2 344.371 2.736 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000377595821 476466122 /nfs/dbraw/zinc/46/61/22/476466122.db2.gz VVKAHZXXSMRQJK-UHFFFAOYSA-N 1 2 345.355 2.583 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000377595821 476466128 /nfs/dbraw/zinc/46/61/28/476466128.db2.gz VVKAHZXXSMRQJK-UHFFFAOYSA-N 1 2 345.355 2.583 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000362962526 476505526 /nfs/dbraw/zinc/50/55/26/476505526.db2.gz FBECGENNZMFJFJ-GFCCVEGCSA-N 1 2 338.371 2.934 20 5 EFBDLO CCc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000369784199 476522591 /nfs/dbraw/zinc/52/25/91/476522591.db2.gz MDUWGZKDKIBHLO-OAHLLOKOSA-N 1 2 342.399 2.970 20 5 EFBDLO CSCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357686026 476538591 /nfs/dbraw/zinc/53/85/91/476538591.db2.gz CAJQWPRBGMJHDV-UHFFFAOYSA-N 1 2 339.461 2.616 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000361116246 476610616 /nfs/dbraw/zinc/61/06/16/476610616.db2.gz PYPSYDPITGMINB-UHFFFAOYSA-N 1 2 338.367 2.718 20 5 EFBDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369998462 476624098 /nfs/dbraw/zinc/62/40/98/476624098.db2.gz RWDUGYZUKYHVNI-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369998462 476624107 /nfs/dbraw/zinc/62/41/07/476624107.db2.gz RWDUGYZUKYHVNI-GFCCVEGCSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000352366656 476665250 /nfs/dbraw/zinc/66/52/50/476665250.db2.gz HLPDARMVXYRGIT-JTQLQIEISA-N 1 2 328.210 2.806 20 5 EFBDLO Cc1cc(N2CC[N@H+](C)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000352366656 476665253 /nfs/dbraw/zinc/66/52/53/476665253.db2.gz HLPDARMVXYRGIT-JTQLQIEISA-N 1 2 328.210 2.806 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000365666960 476669184 /nfs/dbraw/zinc/66/91/84/476669184.db2.gz CPYFUJWRBPPHLB-CYBMUJFWSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365747531 476684989 /nfs/dbraw/zinc/68/49/89/476684989.db2.gz VGFJRDCUKRHFTK-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2n1[C@@H](C)CO ZINC000456737977 476716906 /nfs/dbraw/zinc/71/69/06/476716906.db2.gz XXAUCZHKYLTBNU-VIFPVBQESA-N 1 2 344.327 2.652 20 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/nfs/dbraw/zinc/78/28/11/476782811.db2.gz VRMCIUHPRHNCBN-XMMPIXPASA-N 1 2 348.424 2.973 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000370434978 476809312 /nfs/dbraw/zinc/80/93/12/476809312.db2.gz UVWVHZAWHYBYDL-NSHDSACASA-N 1 2 334.401 2.627 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000370434978 476809320 /nfs/dbraw/zinc/80/93/20/476809320.db2.gz UVWVHZAWHYBYDL-NSHDSACASA-N 1 2 334.401 2.627 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370565501 476873903 /nfs/dbraw/zinc/87/39/03/476873903.db2.gz KVYLTANPKFLAEO-UONOGXRCSA-N 1 2 340.811 2.699 20 5 EFBDLO COC(=O)c1oc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446735949 476913256 /nfs/dbraw/zinc/91/32/56/476913256.db2.gz MHZRBRLFGJMUNF-UHFFFAOYSA-N 1 2 330.340 2.841 20 5 EFBDLO COC(=O)c1oc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446735949 476913265 /nfs/dbraw/zinc/91/32/65/476913265.db2.gz MHZRBRLFGJMUNF-UHFFFAOYSA-N 1 2 330.340 2.841 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC000375663247 476941764 /nfs/dbraw/zinc/94/17/64/476941764.db2.gz BLQXBFVLZYCJHQ-UHFFFAOYSA-N 1 2 329.404 2.587 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC000375663247 476941771 /nfs/dbraw/zinc/94/17/71/476941771.db2.gz BLQXBFVLZYCJHQ-UHFFFAOYSA-N 1 2 329.404 2.587 20 5 EFBDLO CC[C@@H](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452405997 476952565 /nfs/dbraw/zinc/95/25/65/476952565.db2.gz KKVGHSCBVNGWFC-WBMJQRKESA-N 1 2 346.387 2.571 20 5 EFBDLO Cc1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000447193023 476961576 /nfs/dbraw/zinc/96/15/76/476961576.db2.gz LBLHKZUNNMPRCO-UHFFFAOYSA-N 1 2 329.360 2.840 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1CC ZINC000452572764 477005008 /nfs/dbraw/zinc/00/50/08/477005008.db2.gz VCOFKQWSURYHAK-AWEZNQCLSA-N 1 2 330.388 2.696 20 5 EFBDLO CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(C)C ZINC000416058940 477005700 /nfs/dbraw/zinc/00/57/00/477005700.db2.gz KPLHJPBFCYZWBC-CQSZACIVSA-N 1 2 346.387 2.571 20 5 EFBDLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000416065631 477008137 /nfs/dbraw/zinc/00/81/37/477008137.db2.gz HMLKGROTJWYJSJ-FRRDWIJNSA-N 1 2 328.372 2.897 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000370954499 477054188 /nfs/dbraw/zinc/05/41/88/477054188.db2.gz TYTMENAKZNMZOW-HNNXBMFYSA-N 1 2 342.399 2.644 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000370955117 477055321 /nfs/dbraw/zinc/05/53/21/477055321.db2.gz XTUKTNWJNYSTPQ-CQSZACIVSA-N 1 2 328.372 2.716 20 5 EFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)Cn1cc[nH+]c1 ZINC000447801514 477058412 /nfs/dbraw/zinc/05/84/12/477058412.db2.gz CQACFRNYSGHEIP-SECBINFHSA-N 1 2 338.751 2.732 20 5 EFBDLO CC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCOCC1 ZINC000447801074 477059437 /nfs/dbraw/zinc/05/94/37/477059437.db2.gz AXFHVJYBFXGNKR-UHFFFAOYSA-N 1 2 349.431 2.656 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccco1 ZINC000447819005 477065718 /nfs/dbraw/zinc/06/57/18/477065718.db2.gz ZUEOZVWEVUOJMN-UHFFFAOYSA-N 1 2 331.372 2.675 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833613 477070734 /nfs/dbraw/zinc/07/07/34/477070734.db2.gz UDVXWPYOOHKPLK-BBRMVZONSA-N 1 2 349.431 2.977 20 5 EFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000447833613 477070737 /nfs/dbraw/zinc/07/07/37/477070737.db2.gz UDVXWPYOOHKPLK-BBRMVZONSA-N 1 2 349.431 2.977 20 5 EFBDLO CCOc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452762706 477074554 /nfs/dbraw/zinc/07/45/54/477074554.db2.gz YFVPJTKZKZYXSH-UHFFFAOYSA-N 1 2 330.344 2.779 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCCOC2)O1 ZINC000366579422 477078651 /nfs/dbraw/zinc/07/86/51/477078651.db2.gz QWGQGLFSPWZSLG-SJCJKPOMSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCCOC2)O1 ZINC000366579422 477078658 /nfs/dbraw/zinc/07/86/58/477078658.db2.gz QWGQGLFSPWZSLG-SJCJKPOMSA-N 1 2 347.371 2.506 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CCC2 ZINC000366603680 477091509 /nfs/dbraw/zinc/09/15/09/477091509.db2.gz NZXSOXWOULLGRI-MVGZEHJDSA-N 1 2 340.383 2.807 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CCC2 ZINC000366603679 477091917 /nfs/dbraw/zinc/09/19/17/477091917.db2.gz NZXSOXWOULLGRI-KIUWMYQTSA-N 1 2 340.383 2.807 20 5 EFBDLO CC(C)[NH+]1CC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457749507 477178435 /nfs/dbraw/zinc/17/84/35/477178435.db2.gz QWZIZZMZCRGZST-UHFFFAOYSA-N 1 2 346.412 2.541 20 5 EFBDLO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000453404042 477223023 /nfs/dbraw/zinc/22/30/23/477223023.db2.gz HGEGKOHDUYXOOT-KCXAZCMYSA-N 1 2 330.388 2.575 20 5 EFBDLO C[C@@H]1CC[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000453404044 477223685 /nfs/dbraw/zinc/22/36/85/477223685.db2.gz HGEGKOHDUYXOOT-WQVCFCJDSA-N 1 2 330.388 2.575 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCCC2)C1 ZINC000376323003 477283056 /nfs/dbraw/zinc/28/30/56/477283056.db2.gz GBETXDNEGQFZDE-AWEZNQCLSA-N 1 2 347.415 2.814 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCCC2)C1 ZINC000376323003 477283066 /nfs/dbraw/zinc/28/30/66/477283066.db2.gz GBETXDNEGQFZDE-AWEZNQCLSA-N 1 2 347.415 2.814 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2CCC1CC2 ZINC000371450053 477326021 /nfs/dbraw/zinc/32/60/21/477326021.db2.gz JLKJBWKTJILORP-UHFFFAOYSA-N 1 2 326.356 2.795 20 5 EFBDLO O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458296119 477341076 /nfs/dbraw/zinc/34/10/76/477341076.db2.gz LCVSJLZDYHNELN-KWCYVHTRSA-N 1 2 326.356 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccncn4)CC3)nc2c1 ZINC000411829584 477385937 /nfs/dbraw/zinc/38/59/37/477385937.db2.gz UWXHQDVSBNNYSC-UHFFFAOYSA-N 1 2 338.371 2.641 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000436259043 477450704 /nfs/dbraw/zinc/45/07/04/477450704.db2.gz JISKJHDCKAHHKC-MRXNPFEDSA-N 1 2 343.383 2.507 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000436259043 477450712 /nfs/dbraw/zinc/45/07/12/477450712.db2.gz JISKJHDCKAHHKC-MRXNPFEDSA-N 1 2 343.383 2.507 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NCc1cccs1 ZINC000436425738 477478089 /nfs/dbraw/zinc/47/80/89/477478089.db2.gz SWIIGANGXKLGOW-LBPRGKRZSA-N 1 2 333.413 2.966 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NCc1cccs1 ZINC000436425738 477478101 /nfs/dbraw/zinc/47/81/01/477478101.db2.gz SWIIGANGXKLGOW-LBPRGKRZSA-N 1 2 333.413 2.966 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOC[C@H]3CCCO3)c2c1 ZINC000413038018 477481640 /nfs/dbraw/zinc/48/16/40/477481640.db2.gz RBBMESWEOKQLSD-OAHLLOKOSA-N 1 2 331.372 2.563 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455097602 477498334 /nfs/dbraw/zinc/49/83/34/477498334.db2.gz IJRAMCZBZOOJER-JTQLQIEISA-N 1 2 333.348 2.703 20 5 EFBDLO Nc1cc(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)[nH]n1 ZINC000413175184 477555124 /nfs/dbraw/zinc/55/51/24/477555124.db2.gz JKMOMLDBNMBONG-UHFFFAOYSA-N 1 2 338.371 2.663 20 5 EFBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413200144 477566282 /nfs/dbraw/zinc/56/62/82/477566282.db2.gz SEUBITXCEHESTA-UHFFFAOYSA-N 1 2 329.282 2.732 20 5 EFBDLO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436716627 477569027 /nfs/dbraw/zinc/56/90/27/477569027.db2.gz UKBVSZOTLRUFQY-BXUZGUMPSA-N 1 2 347.371 2.753 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367583207 477582955 /nfs/dbraw/zinc/58/29/55/477582955.db2.gz BHYHLMFIQJGMQW-WFASDCNBSA-N 1 2 339.823 2.543 20 5 EFBDLO CS(=O)(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000413295050 477614953 /nfs/dbraw/zinc/61/49/53/477614953.db2.gz OQLDHJKRSFXJPH-UHFFFAOYSA-N 1 2 349.412 2.912 20 5 EFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436867635 477619655 /nfs/dbraw/zinc/61/96/55/477619655.db2.gz DQTVKDJIEDARSU-AWEZNQCLSA-N 1 2 347.371 2.706 20 5 EFBDLO COCCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450603244 477651136 /nfs/dbraw/zinc/65/11/36/477651136.db2.gz GPAIMJCHBPRRCM-UHFFFAOYSA-N 1 2 346.387 2.573 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455482950 477653266 /nfs/dbraw/zinc/65/32/66/477653266.db2.gz PSBOFQHVPDYQHI-SWLSCSKDSA-N 1 2 343.387 2.681 20 5 EFBDLO O=C(NCCCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436969132 477653292 /nfs/dbraw/zinc/65/32/92/477653292.db2.gz XKIZXMDGAOJEEM-UHFFFAOYSA-N 1 2 335.404 2.686 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455482944 477653728 /nfs/dbraw/zinc/65/37/28/477653728.db2.gz PSBOFQHVPDYQHI-DOMZBBRYSA-N 1 2 343.387 2.681 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000372136546 477657273 /nfs/dbraw/zinc/65/72/73/477657273.db2.gz BBVWSZXSHAVLDH-LLVKDONJSA-N 1 2 336.779 2.635 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000372136546 477657278 /nfs/dbraw/zinc/65/72/78/477657278.db2.gz BBVWSZXSHAVLDH-LLVKDONJSA-N 1 2 336.779 2.635 20 5 EFBDLO COC(=O)Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450823538 477729975 /nfs/dbraw/zinc/72/99/75/477729975.db2.gz VMAJAPNPGRGBSL-GXFFZTMASA-N 1 2 330.344 2.625 20 5 EFBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)o1 ZINC000450896762 477753389 /nfs/dbraw/zinc/75/33/89/477753389.db2.gz OMGVSSFBHRCBNJ-SECBINFHSA-N 1 2 338.751 2.716 20 5 EFBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)o1 ZINC000450896762 477753395 /nfs/dbraw/zinc/75/33/95/477753395.db2.gz OMGVSSFBHRCBNJ-SECBINFHSA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000450896762 477753401 /nfs/dbraw/zinc/75/34/01/477753401.db2.gz OMGVSSFBHRCBNJ-SECBINFHSA-N 1 2 338.751 2.716 20 5 EFBDLO O=C1N=NC([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000450896762 477753405 /nfs/dbraw/zinc/75/34/05/477753405.db2.gz OMGVSSFBHRCBNJ-SECBINFHSA-N 1 2 338.751 2.716 20 5 EFBDLO Cc1cc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420840685 477790499 /nfs/dbraw/zinc/79/04/99/477790499.db2.gz BAWDSENSNZRGTN-UHFFFAOYSA-N 1 2 328.372 2.948 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000459894175 477817971 /nfs/dbraw/zinc/81/79/71/477817971.db2.gz VLRDXVGNIHTDGS-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000438304960 477821233 /nfs/dbraw/zinc/82/12/33/477821233.db2.gz MEPMAKXCPOOJMH-SFHVURJKSA-N 1 2 342.395 2.901 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456357164 477882660 /nfs/dbraw/zinc/88/26/60/477882660.db2.gz PKHDWPXBLWEKHR-SNVBAGLBSA-N 1 2 336.779 2.885 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1=O ZINC000428421748 477891237 /nfs/dbraw/zinc/89/12/37/477891237.db2.gz KQKROODFPRZXAT-CYBMUJFWSA-N 1 2 343.383 2.907 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1=O ZINC000428421748 477891247 /nfs/dbraw/zinc/89/12/47/477891247.db2.gz KQKROODFPRZXAT-CYBMUJFWSA-N 1 2 343.383 2.907 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000456365733 477891712 /nfs/dbraw/zinc/89/17/12/477891712.db2.gz WFGPPDVUUGQSFT-LLVKDONJSA-N 1 2 332.360 2.619 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428466472 477904626 /nfs/dbraw/zinc/90/46/26/477904626.db2.gz VTEFNPAYUAGGRB-GFCCVEGCSA-N 1 2 345.424 2.986 20 5 EFBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428466472 477904636 /nfs/dbraw/zinc/90/46/36/477904636.db2.gz VTEFNPAYUAGGRB-GFCCVEGCSA-N 1 2 345.424 2.986 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456410345 477920781 /nfs/dbraw/zinc/92/07/81/477920781.db2.gz GGYIQDYVIDWCPO-SMDDNHRTSA-N 1 2 342.355 2.576 20 5 EFBDLO COCCOC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459475623 477923580 /nfs/dbraw/zinc/92/35/80/477923580.db2.gz WNARJPCINKCQPB-UHFFFAOYSA-N 1 2 332.356 2.702 20 5 EFBDLO C[C@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1F ZINC000456418547 477924719 /nfs/dbraw/zinc/92/47/19/477924719.db2.gz LBNREYNQLTXWIL-BHDSKKPTSA-N 1 2 332.335 2.856 20 5 EFBDLO CCc1cc(N[C@@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000463075659 477924729 /nfs/dbraw/zinc/92/47/29/477924729.db2.gz CVVFATDWMAZGJB-CYBMUJFWSA-N 1 2 330.413 2.954 20 5 EFBDLO COc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c(F)cc1[N+](=O)[O-] ZINC000428660559 477953232 /nfs/dbraw/zinc/95/32/32/477953232.db2.gz CJLWEPKLLGSCGE-UHFFFAOYSA-N 1 2 334.351 2.912 20 5 EFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428687708 477960348 /nfs/dbraw/zinc/96/03/48/477960348.db2.gz DTARKLWQNLZDOG-UHFFFAOYSA-N 1 2 344.371 2.551 20 5 EFBDLO COc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421100032 477961452 /nfs/dbraw/zinc/96/14/52/477961452.db2.gz ZVCSSBTXLHXCDY-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1 ZINC000494454395 477988969 /nfs/dbraw/zinc/98/89/69/477988969.db2.gz PDSKVSYRQKZMDF-UHFFFAOYSA-N 1 2 345.359 2.640 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000532991249 478019171 /nfs/dbraw/zinc/01/91/71/478019171.db2.gz NHOPBADXSQGTIF-CYBMUJFWSA-N 1 2 345.321 2.580 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000532991249 478019174 /nfs/dbraw/zinc/01/91/74/478019174.db2.gz NHOPBADXSQGTIF-CYBMUJFWSA-N 1 2 345.321 2.580 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000533485078 478089938 /nfs/dbraw/zinc/08/99/38/478089938.db2.gz OPDJDDSLNIAVOL-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000533485078 478089942 /nfs/dbraw/zinc/08/99/42/478089942.db2.gz OPDJDDSLNIAVOL-OAHLLOKOSA-N 1 2 326.356 2.765 20 5 EFBDLO CC(C)([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429259227 478093391 /nfs/dbraw/zinc/09/33/91/478093391.db2.gz JOHAKYLSFWJEBF-UHFFFAOYSA-N 1 2 338.371 2.595 20 5 EFBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccn(C)n1 ZINC000459796289 478097664 /nfs/dbraw/zinc/09/76/64/478097664.db2.gz RAUNNCAMESWCQE-LLVKDONJSA-N 1 2 327.344 2.834 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000421493420 478109261 /nfs/dbraw/zinc/10/92/61/478109261.db2.gz CBLPXKDLNPUMNS-CYBMUJFWSA-N 1 2 328.372 2.575 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000429376805 478124863 /nfs/dbraw/zinc/12/48/63/478124863.db2.gz HEKWUMYLXQVWAU-GFCCVEGCSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000429376805 478124870 /nfs/dbraw/zinc/12/48/70/478124870.db2.gz HEKWUMYLXQVWAU-GFCCVEGCSA-N 1 2 347.371 2.964 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440607724 478138994 /nfs/dbraw/zinc/13/89/94/478138994.db2.gz BRCBVXQXGUIDIZ-UHFFFAOYSA-N 1 2 330.266 2.635 20 5 EFBDLO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000440642550 478143665 /nfs/dbraw/zinc/14/36/65/478143665.db2.gz QMCTZLICUKZNHI-GOSISDBHSA-N 1 2 349.431 2.803 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000440646904 478143759 /nfs/dbraw/zinc/14/37/59/478143759.db2.gz GIRVUIAECDGGDL-GOSISDBHSA-N 1 2 349.431 2.803 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429561754 478154079 /nfs/dbraw/zinc/15/40/79/478154079.db2.gz WYNVXHPPTABISZ-LBPRGKRZSA-N 1 2 329.360 2.545 20 5 EFBDLO CC(C)SCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451735960 478185098 /nfs/dbraw/zinc/18/50/98/478185098.db2.gz NGADNGRTZRFFET-UHFFFAOYSA-N 1 2 334.401 2.652 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCC2)O1 ZINC000519538014 478231226 /nfs/dbraw/zinc/23/12/26/478231226.db2.gz BCYSGQXOAIMGBJ-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCC2)O1 ZINC000519538014 478231230 /nfs/dbraw/zinc/23/12/30/478231230.db2.gz BCYSGQXOAIMGBJ-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000535987707 478238110 /nfs/dbraw/zinc/23/81/10/478238110.db2.gz VEDATHZNKZEMAX-SNVBAGLBSA-N 1 2 340.343 2.647 20 5 EFBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489475431 478249375 /nfs/dbraw/zinc/24/93/75/478249375.db2.gz SRNXQRMEPHXFEF-FZMZJTMJSA-N 1 2 328.796 2.874 20 5 EFBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489475431 478249379 /nfs/dbraw/zinc/24/93/79/478249379.db2.gz SRNXQRMEPHXFEF-FZMZJTMJSA-N 1 2 328.796 2.874 20 5 EFBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000490077527 478310520 /nfs/dbraw/zinc/31/05/20/478310520.db2.gz RIHKZTIXTKSYHB-CQSZACIVSA-N 1 2 338.795 2.801 20 5 EFBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000490077527 478310526 /nfs/dbraw/zinc/31/05/26/478310526.db2.gz RIHKZTIXTKSYHB-CQSZACIVSA-N 1 2 338.795 2.801 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326474 478331757 /nfs/dbraw/zinc/33/17/57/478331757.db2.gz YYKNUSPSDSFLBX-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326474 478331765 /nfs/dbraw/zinc/33/17/65/478331765.db2.gz YYKNUSPSDSFLBX-LBPRGKRZSA-N 1 2 328.372 2.688 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000570463372 478365433 /nfs/dbraw/zinc/36/54/33/478365433.db2.gz ZYUYCEUOYABLKU-LLVKDONJSA-N 1 2 337.177 2.858 20 5 EFBDLO CC(C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000521056240 478365900 /nfs/dbraw/zinc/36/59/00/478365900.db2.gz WOKNMJSNIFACLG-UHFFFAOYSA-N 1 2 343.387 2.583 20 5 EFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468129 478366005 /nfs/dbraw/zinc/36/60/05/478366005.db2.gz PGHSGPOOEUAPHZ-HZPDHXFCSA-N 1 2 340.383 2.623 20 5 EFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000538652972 478370286 /nfs/dbraw/zinc/37/02/86/478370286.db2.gz RYYOSEZJYUKKAD-UHFFFAOYSA-N 1 2 337.339 2.618 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCC2 ZINC000594510127 478419554 /nfs/dbraw/zinc/41/95/54/478419554.db2.gz HNUOCWQLGCYNAP-LSDHHAIUSA-N 1 2 343.387 2.732 20 5 EFBDLO Cc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1C ZINC000590970372 478423399 /nfs/dbraw/zinc/42/33/99/478423399.db2.gz DHIPMCYJGWXTCT-UHFFFAOYSA-N 1 2 329.356 2.668 20 5 EFBDLO COC(=O)Cc1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594597550 478457493 /nfs/dbraw/zinc/45/74/93/478457493.db2.gz WXPDVKXJQFFQNT-UHFFFAOYSA-N 1 2 343.383 2.977 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000591149604 478476161 /nfs/dbraw/zinc/47/61/61/478476161.db2.gz NHGAQCPBJUUVNR-HZPDHXFCSA-N 1 2 329.356 2.527 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C\c3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000491250042 478485450 /nfs/dbraw/zinc/48/54/50/478485450.db2.gz NWIDDIHYJRDOSZ-SREVYHEPSA-N 1 2 336.351 2.881 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](NCC[NH+]2CCSCC2)C(F)(F)F)cc1 ZINC000563263617 478499563 /nfs/dbraw/zinc/49/95/63/478499563.db2.gz HXSSLNJBVRVHTG-CYBMUJFWSA-N 1 2 349.378 2.837 20 5 EFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582278098 478556849 /nfs/dbraw/zinc/55/68/49/478556849.db2.gz GQSBIBAMMYTGBU-CQSZACIVSA-N 1 2 343.383 2.636 20 5 EFBDLO COC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000541683325 478578670 /nfs/dbraw/zinc/57/86/70/478578670.db2.gz LYNCUKGTBSRRCK-INIZCTEOSA-N 1 2 336.388 2.685 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597998734 478610947 /nfs/dbraw/zinc/61/09/47/478610947.db2.gz VPAFARGPUAYHKP-KBPBESRZSA-N 1 2 349.431 2.557 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597998734 478610955 /nfs/dbraw/zinc/61/09/55/478610955.db2.gz VPAFARGPUAYHKP-KBPBESRZSA-N 1 2 349.431 2.557 20 5 EFBDLO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595013647 478629344 /nfs/dbraw/zinc/62/93/44/478629344.db2.gz KUYQPNTZISGZSM-LLVKDONJSA-N 1 2 348.403 2.759 20 5 EFBDLO COC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845217 478648257 /nfs/dbraw/zinc/64/82/57/478648257.db2.gz PHXMTFPGPIOOQK-LBPRGKRZSA-N 1 2 329.194 2.968 20 5 EFBDLO COC[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845217 478648260 /nfs/dbraw/zinc/64/82/60/478648260.db2.gz PHXMTFPGPIOOQK-LBPRGKRZSA-N 1 2 329.194 2.968 20 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/nfs/dbraw/zinc/72/47/40/478724740.db2.gz WZXFODMJEZHHTN-ZDUSSCGKSA-N 1 2 345.355 3.000 20 5 EFBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307761 478725314 /nfs/dbraw/zinc/72/53/14/478725314.db2.gz LIQBMRQOXDVKNM-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307761 478725321 /nfs/dbraw/zinc/72/53/21/478725321.db2.gz LIQBMRQOXDVKNM-UHFFFAOYSA-N 1 2 334.347 2.737 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000595337403 478736340 /nfs/dbraw/zinc/73/63/40/478736340.db2.gz LUNHUSUYQDILJP-HOTGVXAUSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000595337403 478736346 /nfs/dbraw/zinc/73/63/46/478736346.db2.gz LUNHUSUYQDILJP-HOTGVXAUSA-N 1 2 337.395 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000595344608 478738585 /nfs/dbraw/zinc/73/85/85/478738585.db2.gz HNJKIKVXOFTDKE-ZDUSSCGKSA-N 1 2 336.285 2.869 20 5 EFBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595375624 478752323 /nfs/dbraw/zinc/75/23/23/478752323.db2.gz CIKMUBUDLACGLS-UKRRQHHQSA-N 1 2 344.408 2.522 20 5 EFBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595375624 478752333 /nfs/dbraw/zinc/75/23/33/478752333.db2.gz CIKMUBUDLACGLS-UKRRQHHQSA-N 1 2 344.408 2.522 20 5 EFBDLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415000 478766869 /nfs/dbraw/zinc/76/68/69/478766869.db2.gz PMVPJGSJUSGBGS-JTQLQIEISA-N 1 2 332.360 2.654 20 5 EFBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1[N+](=O)[O-] ZINC000595417679 478768757 /nfs/dbraw/zinc/76/87/57/478768757.db2.gz YGPJKFFXZCJTHP-LLVKDONJSA-N 1 2 344.371 2.869 20 5 EFBDLO Cc1noc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595421337 478770129 /nfs/dbraw/zinc/77/01/29/478770129.db2.gz FIZLUPSOYULQTH-UHFFFAOYSA-N 1 2 339.355 2.635 20 5 EFBDLO Cc1noc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000595438855 478782223 /nfs/dbraw/zinc/78/22/23/478782223.db2.gz IMJMXFYZHGOSBK-GFCCVEGCSA-N 1 2 336.417 2.832 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000592130243 478787751 /nfs/dbraw/zinc/78/77/51/478787751.db2.gz CIUVVIPSFWSXJN-ZDUSSCGKSA-N 1 2 341.358 2.519 20 5 EFBDLO CCOc1cc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000592130243 478787756 /nfs/dbraw/zinc/78/77/56/478787756.db2.gz CIUVVIPSFWSXJN-ZDUSSCGKSA-N 1 2 341.358 2.519 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000595465567 478800286 /nfs/dbraw/zinc/80/02/86/478800286.db2.gz PFRDNMAVLKRANM-ZETCQYMHSA-N 1 2 341.165 2.900 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000592159133 478806843 /nfs/dbraw/zinc/80/68/43/478806843.db2.gz CZLJPCHEOZOHEE-INIZCTEOSA-N 1 2 334.347 2.956 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492068640 478809738 /nfs/dbraw/zinc/80/97/38/478809738.db2.gz ORDVQQYMXMHGMU-ZDTYVGOBSA-N 1 2 344.346 2.635 20 5 EFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000595485254 478814002 /nfs/dbraw/zinc/81/40/02/478814002.db2.gz WUTLXXVWPGCFKK-KRWDZBQOSA-N 1 2 347.346 2.697 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000595489400 478815995 /nfs/dbraw/zinc/81/59/95/478815995.db2.gz ANNANSWERPEIOY-CMPLNLGQSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000595489400 478816000 /nfs/dbraw/zinc/81/60/00/478816000.db2.gz ANNANSWERPEIOY-CMPLNLGQSA-N 1 2 336.285 2.727 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC000592186989 478818665 /nfs/dbraw/zinc/81/86/65/478818665.db2.gz RKFZWLNAXNMAQF-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCC2)O1 ZINC000592186989 478818670 /nfs/dbraw/zinc/81/86/70/478818670.db2.gz RKFZWLNAXNMAQF-LBPRGKRZSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192228 478820047 /nfs/dbraw/zinc/82/00/47/478820047.db2.gz HAOBCVBUMCLGDZ-ZIAGYGMSSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192228 478820056 /nfs/dbraw/zinc/82/00/56/478820056.db2.gz HAOBCVBUMCLGDZ-ZIAGYGMSSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194142 478823025 /nfs/dbraw/zinc/82/30/25/478823025.db2.gz OTFMPOLJBOINAM-ZIAGYGMSSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194142 478823028 /nfs/dbraw/zinc/82/30/28/478823028.db2.gz OTFMPOLJBOINAM-ZIAGYGMSSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598460199 478836056 /nfs/dbraw/zinc/83/60/56/478836056.db2.gz SNFKJYLRGOGHFK-GHMZBOCLSA-N 1 2 334.401 2.686 20 5 EFBDLO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000598463815 478836521 /nfs/dbraw/zinc/83/65/21/478836521.db2.gz CYWULIXTJAYGDX-JTQLQIEISA-N 1 2 334.351 2.622 20 5 EFBDLO COC(=O)C1([N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000595549182 478848452 /nfs/dbraw/zinc/84/84/52/478848452.db2.gz XVKOSARUKPFOGQ-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO COC(=O)C1([N@@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000595549182 478848458 /nfs/dbraw/zinc/84/84/58/478848458.db2.gz XVKOSARUKPFOGQ-UHFFFAOYSA-N 1 2 334.372 2.534 20 5 EFBDLO COC(=O)C1([N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000595549232 478848844 /nfs/dbraw/zinc/84/88/44/478848844.db2.gz ZPMPZXWDTVVKJA-UHFFFAOYSA-N 1 2 334.372 2.664 20 5 EFBDLO COC(=O)C1([N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000595549232 478848849 /nfs/dbraw/zinc/84/88/49/478848849.db2.gz ZPMPZXWDTVVKJA-UHFFFAOYSA-N 1 2 334.372 2.664 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595568487 478861258 /nfs/dbraw/zinc/86/12/58/478861258.db2.gz VPCGJTGMYHALSG-WFASDCNBSA-N 1 2 333.388 2.806 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595568487 478861267 /nfs/dbraw/zinc/86/12/67/478861267.db2.gz VPCGJTGMYHALSG-WFASDCNBSA-N 1 2 333.388 2.806 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCn2cc[nH+]c21 ZINC000492183349 478864385 /nfs/dbraw/zinc/86/43/85/478864385.db2.gz FRXNCMIIVWOIIJ-RYWCDNDXSA-N 1 2 344.346 2.637 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CCC2 ZINC000492204763 478873955 /nfs/dbraw/zinc/87/39/55/478873955.db2.gz NZXSOXWOULLGRI-LZNQSLFOSA-N 1 2 340.383 2.807 20 5 EFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657862 478918288 /nfs/dbraw/zinc/91/82/88/478918288.db2.gz QNWFQCVGTSHQGD-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657862 478918299 /nfs/dbraw/zinc/91/82/99/478918299.db2.gz QNWFQCVGTSHQGD-UHFFFAOYSA-N 1 2 325.368 2.900 20 5 EFBDLO COc1cc(Cc2noc(Cc3ccc(C)[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000545786711 478953609 /nfs/dbraw/zinc/95/36/09/478953609.db2.gz ZNIRUSRPOFFGSO-UHFFFAOYSA-N 1 2 340.339 2.871 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000583976157 478982020 /nfs/dbraw/zinc/98/20/20/478982020.db2.gz UPVYOYAQTDMMKA-CQSZACIVSA-N 1 2 335.429 2.669 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000583976157 478982028 /nfs/dbraw/zinc/98/20/28/478982028.db2.gz UPVYOYAQTDMMKA-CQSZACIVSA-N 1 2 335.429 2.669 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821751 479016288 /nfs/dbraw/zinc/01/62/88/479016288.db2.gz FCTBVORRZXWILP-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821751 479016291 /nfs/dbraw/zinc/01/62/91/479016291.db2.gz FCTBVORRZXWILP-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000546665350 479053238 /nfs/dbraw/zinc/05/32/38/479053238.db2.gz IOQJRGATVMGMEK-UHFFFAOYSA-N 1 2 326.312 2.894 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595891700 479053924 /nfs/dbraw/zinc/05/39/24/479053924.db2.gz MGKFBAZJVJTMLW-UHFFFAOYSA-N 1 2 345.403 2.508 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595891700 479053929 /nfs/dbraw/zinc/05/39/29/479053929.db2.gz MGKFBAZJVJTMLW-UHFFFAOYSA-N 1 2 345.403 2.508 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1=CCSC1 ZINC000595895459 479057822 /nfs/dbraw/zinc/05/78/22/479057822.db2.gz NFSMYASVYKJFEX-UHFFFAOYSA-N 1 2 332.385 2.750 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1=CCSC1 ZINC000595895459 479057826 /nfs/dbraw/zinc/05/78/26/479057826.db2.gz NFSMYASVYKJFEX-UHFFFAOYSA-N 1 2 332.385 2.750 20 5 EFBDLO COc1ccc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599019283 479127937 /nfs/dbraw/zinc/12/79/37/479127937.db2.gz DPNMADFKILACGB-QGZVFWFLSA-N 1 2 329.356 2.945 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000515184692 479129351 /nfs/dbraw/zinc/12/93/51/479129351.db2.gz KBJQUSYDEGHFNT-HNNXBMFYSA-N 1 2 347.415 2.590 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000515184692 479129358 /nfs/dbraw/zinc/12/93/58/479129358.db2.gz KBJQUSYDEGHFNT-HNNXBMFYSA-N 1 2 347.415 2.590 20 5 EFBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780968 479141139 /nfs/dbraw/zinc/14/11/39/479141139.db2.gz JKKWFDKDBUTOKR-SNVBAGLBSA-N 1 2 346.412 2.781 20 5 EFBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780968 479141148 /nfs/dbraw/zinc/14/11/48/479141148.db2.gz JKKWFDKDBUTOKR-SNVBAGLBSA-N 1 2 346.412 2.781 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000593047711 479142165 /nfs/dbraw/zinc/14/21/65/479142165.db2.gz CJEDNFVGBIGRRS-UHFFFAOYSA-N 1 2 343.330 2.663 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000593047711 479142173 /nfs/dbraw/zinc/14/21/73/479142173.db2.gz CJEDNFVGBIGRRS-UHFFFAOYSA-N 1 2 343.330 2.663 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000593050703 479143542 /nfs/dbraw/zinc/14/35/42/479143542.db2.gz WQKJSXOCYSUIGB-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000593050703 479143546 /nfs/dbraw/zinc/14/35/46/479143546.db2.gz WQKJSXOCYSUIGB-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055881 479149243 /nfs/dbraw/zinc/14/92/43/479149243.db2.gz SSSFIAVQWVATJK-CQSZACIVSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055881 479149248 /nfs/dbraw/zinc/14/92/48/479149248.db2.gz SSSFIAVQWVATJK-CQSZACIVSA-N 1 2 335.404 2.731 20 5 EFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602993284 479185048 /nfs/dbraw/zinc/18/50/48/479185048.db2.gz WMVGVIBVDRJJMT-UHFFFAOYSA-N 1 2 339.367 2.756 20 5 EFBDLO O=[N+]([O-])c1cc(NCC2([NH+]3CCOCC3)CC2)ccc1C(F)(F)F ZINC000596211873 479202700 /nfs/dbraw/zinc/20/27/00/479202700.db2.gz YFLLLTXABAESJK-UHFFFAOYSA-N 1 2 345.321 2.890 20 5 EFBDLO Nc1cccc2c1cc[nH+]c2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000596214165 479204357 /nfs/dbraw/zinc/20/43/57/479204357.db2.gz NTDJIBPIUPBNHU-UHFFFAOYSA-N 1 2 338.371 2.763 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053595 479206812 /nfs/dbraw/zinc/20/68/12/479206812.db2.gz QADRAWBLMMSQET-UKRRQHHQSA-N 1 2 342.399 2.903 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053595 479206820 /nfs/dbraw/zinc/20/68/20/479206820.db2.gz QADRAWBLMMSQET-UKRRQHHQSA-N 1 2 342.399 2.903 20 5 EFBDLO COc1ccc(CNc2nc(C3CC3)[nH+]c(C)c2OC)cc1[N+](=O)[O-] ZINC000574171259 479235038 /nfs/dbraw/zinc/23/50/38/479235038.db2.gz LQNVHQBROZYKFE-UHFFFAOYSA-N 1 2 344.371 2.622 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)OCCO2 ZINC000610929810 479235751 /nfs/dbraw/zinc/23/57/51/479235751.db2.gz CBCXBTSQDFOWEC-UHFFFAOYSA-N 1 2 326.352 2.924 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3ccccc3C1)OCCO2 ZINC000610929810 479235761 /nfs/dbraw/zinc/23/57/61/479235761.db2.gz CBCXBTSQDFOWEC-UHFFFAOYSA-N 1 2 326.352 2.924 20 5 EFBDLO O=[N+]([O-])c1ccccc1CN(c1cc(-n2cc[nH+]c2)ncn1)C1CC1 ZINC000610958145 479243204 /nfs/dbraw/zinc/24/32/04/479243204.db2.gz XYRNDZAYLYDLMI-UHFFFAOYSA-N 1 2 336.355 2.740 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593237821 479254935 /nfs/dbraw/zinc/25/49/35/479254935.db2.gz WHCOGGODOZNBBC-UHFFFAOYSA-N 1 2 336.298 2.652 20 5 EFBDLO O=[N+]([O-])c1sccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596348901 479260623 /nfs/dbraw/zinc/26/06/23/479260623.db2.gz GKEOPLWCMXFNEW-CVEARBPZSA-N 1 2 345.424 2.746 20 5 EFBDLO O=[N+]([O-])c1sccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596348901 479260628 /nfs/dbraw/zinc/26/06/28/479260628.db2.gz GKEOPLWCMXFNEW-CVEARBPZSA-N 1 2 345.424 2.746 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355338 479262964 /nfs/dbraw/zinc/26/29/64/479262964.db2.gz BUDLEWIKUHWVFB-UHFFFAOYSA-N 1 2 330.392 2.727 20 5 EFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C ZINC000585099407 479283174 /nfs/dbraw/zinc/28/31/74/479283174.db2.gz FFJHRVWFYFQWIO-SSDOTTSWSA-N 1 2 326.154 2.659 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439527 479299443 /nfs/dbraw/zinc/29/94/43/479299443.db2.gz VUMKIZKWSYXQEU-AWEZNQCLSA-N 1 2 329.404 2.505 20 5 EFBDLO Cc1cc(N2CCC[C@@H]2[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596488286 479314869 /nfs/dbraw/zinc/31/48/69/479314869.db2.gz MYXYKUJUHYXRTR-IUODEOHRSA-N 1 2 328.372 2.710 20 5 EFBDLO COCCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000599507479 479316395 /nfs/dbraw/zinc/31/63/95/479316395.db2.gz WQFBXPIVHHODLL-UHFFFAOYSA-N 1 2 335.404 2.590 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3ccc(O)cc3C1)OCCO2 ZINC000611260719 479327210 /nfs/dbraw/zinc/32/72/10/479327210.db2.gz IGMBIPRJUZXEJB-UHFFFAOYSA-N 1 2 342.351 2.630 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3ccc(O)cc3C1)OCCO2 ZINC000611260719 479327215 /nfs/dbraw/zinc/32/72/15/479327215.db2.gz IGMBIPRJUZXEJB-UHFFFAOYSA-N 1 2 342.351 2.630 20 5 EFBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602431441 479327908 /nfs/dbraw/zinc/32/79/08/479327908.db2.gz RLPGGCSHQZGNTM-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602431441 479327911 /nfs/dbraw/zinc/32/79/11/479327911.db2.gz RLPGGCSHQZGNTM-UHFFFAOYSA-N 1 2 345.321 2.668 20 5 EFBDLO Cc1c(Br)c(N[C@H](C)c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000596539929 479333587 /nfs/dbraw/zinc/33/35/87/479333587.db2.gz CBHVWKJAZHHSCW-MRVPVSSYSA-N 1 2 340.181 2.967 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599622453 479356178 /nfs/dbraw/zinc/35/61/78/479356178.db2.gz IOQQOVJVGFJMRU-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599622453 479356184 /nfs/dbraw/zinc/35/61/84/479356184.db2.gz IOQQOVJVGFJMRU-LLVKDONJSA-N 1 2 327.331 2.961 20 5 EFBDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624236 479357170 /nfs/dbraw/zinc/35/71/70/479357170.db2.gz UNKQXXPGUDGYGM-NSHDSACASA-N 1 2 339.342 2.604 20 5 EFBDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624236 479357175 /nfs/dbraw/zinc/35/71/75/479357175.db2.gz UNKQXXPGUDGYGM-NSHDSACASA-N 1 2 339.342 2.604 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000596620143 479361153 /nfs/dbraw/zinc/36/11/53/479361153.db2.gz ZGVSXHXXIUSCAN-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000596620143 479361158 /nfs/dbraw/zinc/36/11/58/479361158.db2.gz ZGVSXHXXIUSCAN-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC000599648176 479366721 /nfs/dbraw/zinc/36/67/21/479366721.db2.gz VAVHEKOXKJVVBV-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC000599648176 479366724 /nfs/dbraw/zinc/36/67/24/479366724.db2.gz VAVHEKOXKJVVBV-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000602500296 479369343 /nfs/dbraw/zinc/36/93/43/479369343.db2.gz YKHOJODAMRQVCA-CYBMUJFWSA-N 1 2 330.344 2.722 20 5 EFBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599684201 479389571 /nfs/dbraw/zinc/38/95/71/479389571.db2.gz UTVIDSFSXODMNX-MRXNPFEDSA-N 1 2 342.351 2.573 20 5 EFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599684201 479389574 /nfs/dbraw/zinc/38/95/74/479389574.db2.gz UTVIDSFSXODMNX-MRXNPFEDSA-N 1 2 342.351 2.573 20 5 EFBDLO Cc1nc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000611560394 479415784 /nfs/dbraw/zinc/41/57/84/479415784.db2.gz QZVDVRFYBAOLSI-OAHLLOKOSA-N 1 2 343.412 2.972 20 5 EFBDLO Cc1nnc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602596402 479416206 /nfs/dbraw/zinc/41/62/06/479416206.db2.gz KKHMLNJWXUSHTK-UHFFFAOYSA-N 1 2 349.235 2.869 20 5 EFBDLO CCC(CC)C(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603662481 479417756 /nfs/dbraw/zinc/41/77/56/479417756.db2.gz FSJVGZJVCWJLAI-UHFFFAOYSA-N 1 2 349.431 2.554 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]2CCO)cc1Br ZINC000602625468 479431985 /nfs/dbraw/zinc/43/19/85/479431985.db2.gz YVFAQBSOKPIAQV-MRVPVSSYSA-N 1 2 335.223 2.766 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]2CCO)cc1Br ZINC000602625468 479431991 /nfs/dbraw/zinc/43/19/91/479431991.db2.gz YVFAQBSOKPIAQV-MRVPVSSYSA-N 1 2 335.223 2.766 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]2CCO)cc1Br ZINC000602625469 479432655 /nfs/dbraw/zinc/43/26/55/479432655.db2.gz YVFAQBSOKPIAQV-QMMMGPOBSA-N 1 2 335.223 2.766 20 5 EFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]2CCO)cc1Br ZINC000602625469 479432658 /nfs/dbraw/zinc/43/26/58/479432658.db2.gz YVFAQBSOKPIAQV-QMMMGPOBSA-N 1 2 335.223 2.766 20 5 EFBDLO O=[N+]([O-])c1ncccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000603839431 479436009 /nfs/dbraw/zinc/43/60/09/479436009.db2.gz CBMZQDUPLSRNSQ-ZDUSSCGKSA-N 1 2 334.401 2.537 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000603862418 479440306 /nfs/dbraw/zinc/44/03/06/479440306.db2.gz RCVVJIOYMDFKQQ-VXGBXAGGSA-N 1 2 329.360 2.742 20 5 EFBDLO CCn1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602642430 479442342 /nfs/dbraw/zinc/44/23/42/479442342.db2.gz XUYUJEOCAJYDAI-UHFFFAOYSA-N 1 2 329.282 2.515 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000602675525 479469293 /nfs/dbraw/zinc/46/92/93/479469293.db2.gz UEHJZFWZQPFOAJ-UHFFFAOYSA-N 1 2 341.293 2.899 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000614672090 479477120 /nfs/dbraw/zinc/47/71/20/479477120.db2.gz DMGRVIZAUUIILJ-TZMCWYRMSA-N 1 2 326.356 2.795 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000614672089 479478270 /nfs/dbraw/zinc/47/82/70/479478270.db2.gz DMGRVIZAUUIILJ-OCCSQVGLSA-N 1 2 326.356 2.795 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596913528 479484886 /nfs/dbraw/zinc/48/48/86/479484886.db2.gz JKFQVHLFLZTOJW-HNNXBMFYSA-N 1 2 342.399 2.791 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@]1(C)CO ZINC000602726057 479507629 /nfs/dbraw/zinc/50/76/29/479507629.db2.gz YXTTXLYSARARNI-PRHODGIISA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@]1(C)CO ZINC000602726057 479507635 /nfs/dbraw/zinc/50/76/35/479507635.db2.gz YXTTXLYSARARNI-PRHODGIISA-N 1 2 349.250 2.869 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000576060515 479530526 /nfs/dbraw/zinc/53/05/26/479530526.db2.gz SCDQMWJCDDMVHF-BBRMVZONSA-N 1 2 328.372 2.586 20 5 EFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604525281 479534647 /nfs/dbraw/zinc/53/46/47/479534647.db2.gz GHHHINMKNCAABK-UHFFFAOYSA-N 1 2 345.321 2.758 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604525281 479534655 /nfs/dbraw/zinc/53/46/55/479534655.db2.gz GHHHINMKNCAABK-UHFFFAOYSA-N 1 2 345.321 2.758 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1[C@@H]1CCCO1 ZINC000589520416 479536653 /nfs/dbraw/zinc/53/66/53/479536653.db2.gz HPMGHXHLZKUVMM-WMLDXEAASA-N 1 2 348.399 2.755 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1[C@@H]1CCCO1 ZINC000589520416 479536662 /nfs/dbraw/zinc/53/66/62/479536662.db2.gz HPMGHXHLZKUVMM-WMLDXEAASA-N 1 2 348.399 2.755 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026728 479555365 /nfs/dbraw/zinc/55/53/65/479555365.db2.gz NXTZIOHUYBBNKQ-CQSZACIVSA-N 1 2 333.388 2.567 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026728 479555371 /nfs/dbraw/zinc/55/53/71/479555371.db2.gz NXTZIOHUYBBNKQ-CQSZACIVSA-N 1 2 333.388 2.567 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000602810065 479569143 /nfs/dbraw/zinc/56/91/43/479569143.db2.gz KQTGLCBURQRYSS-ZDUSSCGKSA-N 1 2 349.460 2.540 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000602852355 479593446 /nfs/dbraw/zinc/59/34/46/479593446.db2.gz PYPIOQUTAQBSCX-PXAZEXFGSA-N 1 2 348.378 2.701 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000602852355 479593452 /nfs/dbraw/zinc/59/34/52/479593452.db2.gz PYPIOQUTAQBSCX-PXAZEXFGSA-N 1 2 348.378 2.701 20 5 EFBDLO C[C@H](c1ccncc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590206980 479617572 /nfs/dbraw/zinc/61/75/72/479617572.db2.gz OUQSREVEKKXJDR-CQSZACIVSA-N 1 2 340.383 2.509 20 5 EFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2[nH]c[nH+]c2C1 ZINC000590377546 479636941 /nfs/dbraw/zinc/63/69/41/479636941.db2.gz HHDCSGYQRRIAKS-UHFFFAOYSA-N 1 2 328.353 2.731 20 5 EFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2[nH+]c[nH]c2C1 ZINC000590377546 479636948 /nfs/dbraw/zinc/63/69/48/479636948.db2.gz HHDCSGYQRRIAKS-UHFFFAOYSA-N 1 2 328.353 2.731 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)OCCO2 ZINC000590381008 479637474 /nfs/dbraw/zinc/63/74/74/479637474.db2.gz UDCSRKPDBLWQNU-ZWKOTPCHSA-N 1 2 346.383 2.509 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)OCCO2 ZINC000590381008 479637478 /nfs/dbraw/zinc/63/74/78/479637478.db2.gz UDCSRKPDBLWQNU-ZWKOTPCHSA-N 1 2 346.383 2.509 20 5 EFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000612346000 479650464 /nfs/dbraw/zinc/65/04/64/479650464.db2.gz ARERBDZXMGFYDT-UHFFFAOYSA-N 1 2 341.371 2.882 20 5 EFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000612346816 479650767 /nfs/dbraw/zinc/65/07/67/479650767.db2.gz YRNBATQVUOWDEW-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000612346554 479651047 /nfs/dbraw/zinc/65/10/47/479651047.db2.gz KFHALKPJXLHSSI-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000590562709 479660052 /nfs/dbraw/zinc/66/00/52/479660052.db2.gz WSPRLNYCDGYUKF-MRVPVSSYSA-N 1 2 340.792 2.941 20 5 EFBDLO O=[N+]([O-])c1c(NCC2CC[NH+](CC(F)F)CC2)nc2sccn21 ZINC000590567808 479660917 /nfs/dbraw/zinc/66/09/17/479660917.db2.gz RISWTNOOWDZAJX-UHFFFAOYSA-N 1 2 345.375 2.693 20 5 EFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nnc2ccccn21 ZINC000612495262 479681789 /nfs/dbraw/zinc/68/17/89/479681789.db2.gz PBRZMRUFCRMHRF-JTQLQIEISA-N 1 2 338.327 2.630 20 5 EFBDLO CC1(C)C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619154589 479701219 /nfs/dbraw/zinc/70/12/19/479701219.db2.gz LGLKFQYSOSIKAF-OAHLLOKOSA-N 1 2 349.431 2.797 20 5 EFBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000616008921 479807103 /nfs/dbraw/zinc/80/71/03/479807103.db2.gz CKGZOHSOTCMVME-AAQZWPSQSA-N 1 2 330.384 2.678 20 5 EFBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000616008921 479807108 /nfs/dbraw/zinc/80/71/08/479807108.db2.gz CKGZOHSOTCMVME-AAQZWPSQSA-N 1 2 330.384 2.678 20 5 EFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261549 480248825 /nfs/dbraw/zinc/24/88/25/480248825.db2.gz SZTDZVPLFDTEOD-OAHLLOKOSA-N 1 2 340.387 2.714 20 5 EFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261549 480248829 /nfs/dbraw/zinc/24/88/29/480248829.db2.gz SZTDZVPLFDTEOD-OAHLLOKOSA-N 1 2 340.387 2.714 20 5 EFBDLO Cc1ncc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000614461997 480314734 /nfs/dbraw/zinc/31/47/34/480314734.db2.gz HLLFPODQQDQOJT-CQSZACIVSA-N 1 2 341.415 2.885 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487498 480319424 /nfs/dbraw/zinc/31/94/24/480319424.db2.gz OHIKEXRUHUGWRU-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487498 480319430 /nfs/dbraw/zinc/31/94/30/480319430.db2.gz OHIKEXRUHUGWRU-SNVBAGLBSA-N 1 2 328.332 2.561 20 5 EFBDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000617709596 480332555 /nfs/dbraw/zinc/33/25/55/480332555.db2.gz LGUXHRKWUGADLP-CYBMUJFWSA-N 1 2 338.367 2.971 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617718578 480333448 /nfs/dbraw/zinc/33/34/48/480333448.db2.gz WZNDKTIMQDUBSP-BBRMVZONSA-N 1 2 328.372 2.759 20 5 EFBDLO COc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])cc1F ZINC000184406518 533894657 /nfs/dbraw/zinc/89/46/57/533894657.db2.gz FHBLDHBEBJPAAL-JTQLQIEISA-N 1 2 345.334 2.636 20 5 EFBDLO C[C@@H]1CCSCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190073254 534122762 /nfs/dbraw/zinc/12/27/62/534122762.db2.gz YSORPAISMFYUDI-GFCCVEGCSA-N 1 2 346.412 2.748 20 5 EFBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605716 519310241 /nfs/dbraw/zinc/31/02/41/519310241.db2.gz HKFCDZQQQQEOMC-AWEZNQCLSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605716 519310249 /nfs/dbraw/zinc/31/02/49/519310249.db2.gz HKFCDZQQQQEOMC-AWEZNQCLSA-N 1 2 333.432 2.846 20 5 EFBDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347669989 534448803 /nfs/dbraw/zinc/44/88/03/534448803.db2.gz XQXCXEGYTDNWIB-LBPRGKRZSA-N 1 2 341.358 2.611 20 5 EFBDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347669989 534448804 /nfs/dbraw/zinc/44/88/04/534448804.db2.gz XQXCXEGYTDNWIB-LBPRGKRZSA-N 1 2 341.358 2.611 20 5 EFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000176456811 520451239 /nfs/dbraw/zinc/45/12/39/520451239.db2.gz DCZSRAZDECKJFD-UHFFFAOYSA-N 1 2 346.412 2.748 20 5 EFBDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000177295572 520766066 /nfs/dbraw/zinc/76/60/66/520766066.db2.gz FMGZYWSWZLUBPY-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000177295572 520766077 /nfs/dbraw/zinc/76/60/77/520766077.db2.gz FMGZYWSWZLUBPY-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606975 523005147 /nfs/dbraw/zinc/00/51/47/523005147.db2.gz JHDVTUHKMGEPCM-INIZCTEOSA-N 1 2 331.416 2.744 20 5 EFBDLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606975 523005153 /nfs/dbraw/zinc/00/51/53/523005153.db2.gz JHDVTUHKMGEPCM-INIZCTEOSA-N 1 2 331.416 2.744 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC2(CC2)C1 ZINC000184112509 534686649 /nfs/dbraw/zinc/68/66/49/534686649.db2.gz FUAHJFXQLIYIHB-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO Cc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000171916614 534713990 /nfs/dbraw/zinc/71/39/90/534713990.db2.gz DBWSGFLPWWPLKX-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO Cc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000171916614 534713995 /nfs/dbraw/zinc/71/39/95/534713995.db2.gz DBWSGFLPWWPLKX-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068084968 524101624 /nfs/dbraw/zinc/10/16/24/524101624.db2.gz XGWNVLWKQPEHPQ-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068084968 524101634 /nfs/dbraw/zinc/10/16/34/524101634.db2.gz XGWNVLWKQPEHPQ-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000063758417 524222939 /nfs/dbraw/zinc/22/29/39/524222939.db2.gz QVKFBCOEVPUCDS-CYBMUJFWSA-N 1 2 335.404 2.542 20 5 EFBDLO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000063758417 524222947 /nfs/dbraw/zinc/22/29/47/524222947.db2.gz QVKFBCOEVPUCDS-CYBMUJFWSA-N 1 2 335.404 2.542 20 5 EFBDLO Cc1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000237812722 524613996 /nfs/dbraw/zinc/61/39/96/524613996.db2.gz MZXNBKJMJMDMRA-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000153682514 525173640 /nfs/dbraw/zinc/17/36/40/525173640.db2.gz ITUSNNHUIIYMMR-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000195025795 525463641 /nfs/dbraw/zinc/46/36/41/525463641.db2.gz MVSUIHNBZWNOTM-INIZCTEOSA-N 1 2 339.355 2.601 20 5 EFBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccnc1 ZINC000182888159 525556356 /nfs/dbraw/zinc/55/63/56/525556356.db2.gz JYFQNZRTKHPAJB-LLVKDONJSA-N 1 2 325.328 2.891 20 5 EFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178682617 525738575 /nfs/dbraw/zinc/73/85/75/525738575.db2.gz WRLZSLAOFNDWHT-BDJLRTHQSA-N 1 2 331.347 2.920 20 5 EFBDLO Cc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000178158403 525847131 /nfs/dbraw/zinc/84/71/31/525847131.db2.gz HOEQUHGKOKTSMG-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072716459 526168529 /nfs/dbraw/zinc/16/85/29/526168529.db2.gz KGAYJAILHQGTMZ-CQSZACIVSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCCCC2)C1 ZINC000072716459 526168537 /nfs/dbraw/zinc/16/85/37/526168537.db2.gz KGAYJAILHQGTMZ-CQSZACIVSA-N 1 2 347.415 2.957 20 5 EFBDLO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063758138 526246846 /nfs/dbraw/zinc/24/68/46/526246846.db2.gz XGWNVLWKQPEHPQ-ZDUSSCGKSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063758138 526246849 /nfs/dbraw/zinc/24/68/49/526246849.db2.gz XGWNVLWKQPEHPQ-ZDUSSCGKSA-N 1 2 335.404 2.685 20 5 EFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000119785535 526490381 /nfs/dbraw/zinc/49/03/81/526490381.db2.gz GAYQBGPRUDMTBA-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000162621067 526542924 /nfs/dbraw/zinc/54/29/24/526542924.db2.gz VROJMZDXILEUEB-UHFFFAOYSA-N 1 2 335.404 2.813 20 5 EFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120733624 526607802 /nfs/dbraw/zinc/60/78/02/526607802.db2.gz CSLGOGWOLQGPBK-HNNXBMFYSA-N 1 2 347.758 2.937 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077171066 526757921 /nfs/dbraw/zinc/75/79/21/526757921.db2.gz RIVMICVXQDYWMN-INIZCTEOSA-N 1 2 340.383 2.649 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077171066 526757927 /nfs/dbraw/zinc/75/79/27/526757927.db2.gz RIVMICVXQDYWMN-INIZCTEOSA-N 1 2 340.383 2.649 20 5 EFBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc[nH+]c1 ZINC000065866116 526902050 /nfs/dbraw/zinc/90/20/50/526902050.db2.gz OYWWGVVLLKHHKA-UHFFFAOYSA-N 1 2 337.339 2.831 20 5 EFBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc[nH+]c1 ZINC000075687460 526996271 /nfs/dbraw/zinc/99/62/71/526996271.db2.gz ODUMVWFURHMJEA-UHFFFAOYSA-N 1 2 338.323 2.798 20 5 EFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000078796885 527090711 /nfs/dbraw/zinc/09/07/11/527090711.db2.gz PYLDJSDWRQUSFV-UHFFFAOYSA-N 1 2 340.343 2.519 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135561131 527332473 /nfs/dbraw/zinc/33/24/73/527332473.db2.gz CXYOTMQIPADRMJ-GXTWGEPZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135561131 527332480 /nfs/dbraw/zinc/33/24/80/527332480.db2.gz CXYOTMQIPADRMJ-GXTWGEPZSA-N 1 2 328.821 2.955 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174013555 527333187 /nfs/dbraw/zinc/33/31/87/527333187.db2.gz UNLLTSACSXLDOI-OAHLLOKOSA-N 1 2 339.823 2.545 20 5 EFBDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153254800 528295585 /nfs/dbraw/zinc/29/55/85/528295585.db2.gz QAQRQQVEBCNLGH-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153254800 528295590 /nfs/dbraw/zinc/29/55/90/528295590.db2.gz QAQRQQVEBCNLGH-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152758245 528597088 /nfs/dbraw/zinc/59/70/88/528597088.db2.gz AWYAEFFTCXBYEN-SJKOYZFVSA-N 1 2 343.383 2.871 20 5 EFBDLO CC(C)Oc1cc(C(=O)N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000412193252 534941414 /nfs/dbraw/zinc/94/14/14/534941414.db2.gz AFRSKJXPWSUOEJ-UHFFFAOYSA-N 1 2 346.387 2.741 20 5 EFBDLO CCc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000347597981 536178015 /nfs/dbraw/zinc/17/80/15/536178015.db2.gz XDXMXOOZCBAJQO-UHFFFAOYSA-N 1 2 326.400 2.874 20 5 EFBDLO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000347630682 536871943 /nfs/dbraw/zinc/87/19/43/536871943.db2.gz FBIUPLFGFYBCBC-ZDUSSCGKSA-N 1 2 347.371 2.720 20 5 EFBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)n2C ZINC000349814139 537018507 /nfs/dbraw/zinc/01/85/07/537018507.db2.gz RRRODOBPSZCFBU-UHFFFAOYSA-N 1 2 344.346 2.919 20 5 EFBDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000299986128 545773945 /nfs/dbraw/zinc/77/39/45/545773945.db2.gz ARRKDANZTFJHFF-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000299986128 545773952 /nfs/dbraw/zinc/77/39/52/545773952.db2.gz ARRKDANZTFJHFF-TVQRCGJNSA-N 1 2 329.194 2.560 20 5 EFBDLO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000754728076 575478906 /nfs/dbraw/zinc/47/89/06/575478906.db2.gz CONQPHYHBVQNRM-GJZGRUSLSA-N 1 2 338.404 2.584 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755224723 575562534 /nfs/dbraw/zinc/56/25/34/575562534.db2.gz YOFSQSFFZJICNZ-MRXNPFEDSA-N 1 2 344.415 2.955 20 5 EFBDLO CCOc1cc(COC(=O)c2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000755556070 575601500 /nfs/dbraw/zinc/60/15/00/575601500.db2.gz SKOQHLAYQDLIHZ-UHFFFAOYSA-N 1 2 341.323 2.998 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000755676395 575617430 /nfs/dbraw/zinc/61/74/30/575617430.db2.gz ZLGZBQCLELVVND-UHFFFAOYSA-N 1 2 332.312 2.672 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000755832417 575643489 /nfs/dbraw/zinc/64/34/89/575643489.db2.gz QFQSCBBEQDISNF-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000756129818 575690124 /nfs/dbraw/zinc/69/01/24/575690124.db2.gz FHELDWCIMCPVDX-JTQLQIEISA-N 1 2 334.763 2.611 20 5 EFBDLO CCC[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000757609827 575844922 /nfs/dbraw/zinc/84/49/22/575844922.db2.gz KFCSUANEYOZYBQ-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CCC[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000757609827 575844923 /nfs/dbraw/zinc/84/49/23/575844923.db2.gz KFCSUANEYOZYBQ-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO COc1cc(C)[nH+]c(COC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000757687959 575849741 /nfs/dbraw/zinc/84/97/41/575849741.db2.gz DQZYPNFSXZTJNH-UHFFFAOYSA-N 1 2 346.339 2.819 20 5 EFBDLO COC1CCC(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000757932534 575856131 /nfs/dbraw/zinc/85/61/31/575856131.db2.gz BQRJCZIWTYAQSZ-UHFFFAOYSA-N 1 2 345.355 2.895 20 5 EFBDLO COc1c(C)c[nH+]c(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1C ZINC000758084625 575859597 /nfs/dbraw/zinc/85/95/97/575859597.db2.gz LUMSDKUJSCZZKC-UHFFFAOYSA-N 1 2 349.318 2.694 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761039280 576103324 /nfs/dbraw/zinc/10/33/24/576103324.db2.gz DLEYMYVWRNKLFE-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761039280 576103327 /nfs/dbraw/zinc/10/33/27/576103327.db2.gz DLEYMYVWRNKLFE-ZJUUUORDSA-N 1 2 331.294 2.806 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc1Cl ZINC000761250254 576135909 /nfs/dbraw/zinc/13/59/09/576135909.db2.gz JMRDQFNAFKOYDC-CYBMUJFWSA-N 1 2 326.780 2.976 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1Cl ZINC000761250254 576135913 /nfs/dbraw/zinc/13/59/13/576135913.db2.gz JMRDQFNAFKOYDC-CYBMUJFWSA-N 1 2 326.780 2.976 20 5 EFBDLO CCn1cc(C[N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000761294159 576141485 /nfs/dbraw/zinc/14/14/85/576141485.db2.gz ZDHZQMKVRXIIOM-UHFFFAOYSA-N 1 2 328.376 2.559 20 5 EFBDLO CCn1cc(C[N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000761294159 576141488 /nfs/dbraw/zinc/14/14/88/576141488.db2.gz ZDHZQMKVRXIIOM-UHFFFAOYSA-N 1 2 328.376 2.559 20 5 EFBDLO C[C@H]1[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1(C)C ZINC000763212750 576367373 /nfs/dbraw/zinc/36/73/73/576367373.db2.gz PZPKOADTAMPORG-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1(C)C ZINC000763212750 576367374 /nfs/dbraw/zinc/36/73/74/576367374.db2.gz PZPKOADTAMPORG-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@@H](C(=O)OCc1cc[nH+]c(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000763391894 576375570 /nfs/dbraw/zinc/37/55/70/576375570.db2.gz HMNYRWLXUYBFEJ-GFCCVEGCSA-N 1 2 329.356 2.903 20 5 EFBDLO C[C@]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000768541079 577282192 /nfs/dbraw/zinc/28/21/92/577282192.db2.gz DPRVBUSZVWQKBC-MRXNPFEDSA-N 1 2 333.775 2.739 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000768906781 577315657 /nfs/dbraw/zinc/31/56/57/577315657.db2.gz GJRZFFYGOLZIHX-UHFFFAOYSA-N 1 2 336.342 2.982 20 5 EFBDLO C[C@H]1COCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769456940 577363366 /nfs/dbraw/zinc/36/33/66/577363366.db2.gz MDSBLCCNGPIEFW-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO C[C@H]1COCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769456940 577363369 /nfs/dbraw/zinc/36/33/69/577363369.db2.gz MDSBLCCNGPIEFW-JTQLQIEISA-N 1 2 329.194 2.968 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(n4cccn4)CC3)nc2c1 ZINC000769727493 577381364 /nfs/dbraw/zinc/38/13/64/577381364.db2.gz WKXNKWSSPPJHGQ-UHFFFAOYSA-N 1 2 326.360 2.505 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000770098111 577402004 /nfs/dbraw/zinc/40/20/04/577402004.db2.gz YNBBGTUIKMAEDW-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO C[C@@H](C[C@H]1CCOC1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774733605 581499390 /nfs/dbraw/zinc/49/93/90/581499390.db2.gz FNWKOWJNKFJXTH-QWHCGFSZSA-N 1 2 345.355 2.752 20 5 EFBDLO Cc1c[nH]cc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001004137146 1266022717 /nfs/dbraw/zinc/02/27/17/1266022717.db2.gz XSVROMPBNZMKRH-UHFFFAOYSA-N 1 2 348.428 2.687 20 5 EFBDLO CC(C)C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000132898449 1268213257 /nfs/dbraw/zinc/21/32/57/1268213257.db2.gz HGUHRTCITFFOIY-OAHLLOKOSA-N 1 2 346.387 2.880 20 5 EFBDLO CC(C)C[C@H]1CCC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000132898449 1268213266 /nfs/dbraw/zinc/21/32/66/1268213266.db2.gz HGUHRTCITFFOIY-OAHLLOKOSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000741028765 1269262795 /nfs/dbraw/zinc/26/27/95/1269262795.db2.gz IFBIKYCYVFTOMN-CYBMUJFWSA-N 1 2 334.372 2.585 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311839 1278514775 /nfs/dbraw/zinc/51/47/75/1278514775.db2.gz OQGAICJRULSIKT-ZJUUUORDSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311839 1278514779 /nfs/dbraw/zinc/51/47/79/1278514779.db2.gz OQGAICJRULSIKT-ZJUUUORDSA-N 1 2 329.194 2.560 20 5 EFBDLO CC(C)C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000744437322 1271046000 /nfs/dbraw/zinc/04/60/00/1271046000.db2.gz PDLXZURVZRNKCF-JTQLQIEISA-N 1 2 331.214 2.879 20 5 EFBDLO CC(C)C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000744437322 1271046006 /nfs/dbraw/zinc/04/60/06/1271046006.db2.gz PDLXZURVZRNKCF-JTQLQIEISA-N 1 2 331.214 2.879 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745079682 1271313475 /nfs/dbraw/zinc/31/34/75/1271313475.db2.gz MLQRQFGPCLEPPK-OAHLLOKOSA-N 1 2 336.388 2.910 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745079682 1271313480 /nfs/dbraw/zinc/31/34/80/1271313480.db2.gz MLQRQFGPCLEPPK-OAHLLOKOSA-N 1 2 336.388 2.910 20 5 EFBDLO Nc1cc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000792271934 1278705513 /nfs/dbraw/zinc/70/55/13/1278705513.db2.gz UDYAEHAUOMAGFN-UHFFFAOYSA-N 1 2 339.710 2.650 20 5 EFBDLO CN1Cc2cc(NCCc3cn4ccccc4[nH+]3)cc([N+](=O)[O-])c2N1 ZINC001169010315 1272582600 /nfs/dbraw/zinc/58/26/00/1272582600.db2.gz ABENBYZNZOMIRG-UHFFFAOYSA-N 1 2 338.371 2.669 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3nc(Br)sc3C2)C1 ZINC001169033253 1272597067 /nfs/dbraw/zinc/59/70/67/1272597067.db2.gz BNIINMONLAWYAH-IUCAKERBSA-N 1 2 346.250 2.709 20 5 EFBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3nc(Br)sc3C2)C1 ZINC001169033253 1272597085 /nfs/dbraw/zinc/59/70/85/1272597085.db2.gz BNIINMONLAWYAH-IUCAKERBSA-N 1 2 346.250 2.709 20 5 EFBDLO COc1ccc(C[C@H](C)[NH2+]Cc2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001170300293 1278983733 /nfs/dbraw/zinc/98/37/33/1278983733.db2.gz YZNQNEAEIOKXTR-NSHDSACASA-N 1 2 334.376 2.831 20 5 EFBDLO CCOC(=O)C[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355258 1279034651 /nfs/dbraw/zinc/03/46/51/1279034651.db2.gz YJOHCYTXOGGYMD-LBPRGKRZSA-N 1 2 336.388 2.562 20 5 EFBDLO CCOC(=O)C[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355258 1279034665 /nfs/dbraw/zinc/03/46/65/1279034665.db2.gz YJOHCYTXOGGYMD-LBPRGKRZSA-N 1 2 336.388 2.562 20 5 EFBDLO Cc1cc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000819408124 1276752874 /nfs/dbraw/zinc/75/28/74/1276752874.db2.gz LQBJSQVCISJKDP-OAHLLOKOSA-N 1 2 345.399 2.821 20 5 EFBDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819410137 1276754728 /nfs/dbraw/zinc/75/47/28/1276754728.db2.gz XPDDVKFFAQERSO-HNNXBMFYSA-N 1 2 345.399 2.821 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000819895110 1276938350 /nfs/dbraw/zinc/93/83/50/1276938350.db2.gz IKMQFRXTMQYXBK-UHFFFAOYSA-N 1 2 347.444 2.964 20 5 EFBDLO Cn1c[nH+]cc1COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000790519894 1277626793 /nfs/dbraw/zinc/62/67/93/1277626793.db2.gz ORPGZWQFHAAFBG-UHFFFAOYSA-N 1 2 330.113 2.809 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351776 1279059842 /nfs/dbraw/zinc/05/98/42/1279059842.db2.gz IPLMPIKIHDBPPV-DOMZBBRYSA-N 1 2 336.388 2.562 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351776 1279059856 /nfs/dbraw/zinc/05/98/56/1279059856.db2.gz IPLMPIKIHDBPPV-DOMZBBRYSA-N 1 2 336.388 2.562 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000792726847 1279145928 /nfs/dbraw/zinc/14/59/28/1279145928.db2.gz YWSRHFRFSOLWBK-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000792726847 1279145931 /nfs/dbraw/zinc/14/59/31/1279145931.db2.gz YWSRHFRFSOLWBK-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H](O)CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896325 1279248490 /nfs/dbraw/zinc/24/84/90/1279248490.db2.gz FVUNEKFVCZIDTC-JTQLQIEISA-N 1 2 343.221 2.876 20 5 EFBDLO C[C@H](O)CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896325 1279248495 /nfs/dbraw/zinc/24/84/95/1279248495.db2.gz FVUNEKFVCZIDTC-JTQLQIEISA-N 1 2 343.221 2.876 20 5 EFBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000793243190 1279471504 /nfs/dbraw/zinc/47/15/04/1279471504.db2.gz SWISFLRAUNBJDB-UHFFFAOYSA-N 1 2 347.374 2.814 20 5 EFBDLO Cn1c[nH+]cc1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000793250643 1279476080 /nfs/dbraw/zinc/47/60/80/1279476080.db2.gz AUHKNJUHQHSIKC-UHFFFAOYSA-N 1 2 331.353 2.943 20 5 EFBDLO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc1 ZINC000847024006 1280707535 /nfs/dbraw/zinc/70/75/35/1280707535.db2.gz DFUBPXHZKILDCX-UHFFFAOYSA-N 1 2 346.362 2.876 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000807923040 1281469379 /nfs/dbraw/zinc/46/93/79/1281469379.db2.gz BMRVTIGVXXCDJV-QGZVFWFLSA-N 1 2 335.404 2.566 20 5 EFBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197128 1281583054 /nfs/dbraw/zinc/58/30/54/1281583054.db2.gz CDXFJJUSHZOGQM-GJZGRUSLSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197128 1281583060 /nfs/dbraw/zinc/58/30/60/1281583060.db2.gz CDXFJJUSHZOGQM-GJZGRUSLSA-N 1 2 330.388 2.927 20 5 EFBDLO COC1(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000809048974 1282018303 /nfs/dbraw/zinc/01/83/03/1282018303.db2.gz YULZVRJAIREFLR-UHFFFAOYSA-N 1 2 345.355 2.897 20 5 EFBDLO CCO[C@H]1C[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000809114180 1282044447 /nfs/dbraw/zinc/04/44/47/1282044447.db2.gz SPTRLCUNGFSLNJ-BETUJISGSA-N 1 2 331.328 2.505 20 5 EFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(OCCO)CC1 ZINC000809966997 1282659142 /nfs/dbraw/zinc/65/91/42/1282659142.db2.gz WBADTKYTWFSEIE-UHFFFAOYSA-N 1 2 349.214 2.875 20 5 EFBDLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559020 1287595474 /nfs/dbraw/zinc/59/54/74/1287595474.db2.gz VDWDMLWUOPLJGM-GFCCVEGCSA-N 1 2 338.371 2.609 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1C ZINC000747671646 1283984603 /nfs/dbraw/zinc/98/46/03/1283984603.db2.gz QBDARGWWZAXZBS-UHFFFAOYSA-N 1 2 333.319 2.684 20 5 EFBDLO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000811483339 1284342593 /nfs/dbraw/zinc/34/25/93/1284342593.db2.gz GAJHFGHGEBDVQG-NOZJJQNGSA-N 1 2 348.230 2.710 20 5 EFBDLO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000811483339 1284342597 /nfs/dbraw/zinc/34/25/97/1284342597.db2.gz GAJHFGHGEBDVQG-NOZJJQNGSA-N 1 2 348.230 2.710 20 5 EFBDLO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000811483345 1284342943 /nfs/dbraw/zinc/34/29/43/1284342943.db2.gz GAJHFGHGEBDVQG-ZANVPECISA-N 1 2 348.230 2.710 20 5 EFBDLO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000811483345 1284342955 /nfs/dbraw/zinc/34/29/55/1284342955.db2.gz GAJHFGHGEBDVQG-ZANVPECISA-N 1 2 348.230 2.710 20 5 EFBDLO Cc1nn(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811780171 1284597104 /nfs/dbraw/zinc/59/71/04/1284597104.db2.gz VWBXKSWIGWKIPF-VIFPVBQESA-N 1 2 325.319 2.583 20 5 EFBDLO Cc1nn(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811780171 1284597111 /nfs/dbraw/zinc/59/71/11/1284597111.db2.gz VWBXKSWIGWKIPF-VIFPVBQESA-N 1 2 325.319 2.583 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000811803644 1284633024 /nfs/dbraw/zinc/63/30/24/1284633024.db2.gz NWGFGPJVAURKLW-AWEZNQCLSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000811803644 1284633035 /nfs/dbraw/zinc/63/30/35/1284633035.db2.gz NWGFGPJVAURKLW-AWEZNQCLSA-N 1 2 346.778 2.699 20 5 EFBDLO CCc1nnc2n1CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920616 1286328455 /nfs/dbraw/zinc/32/84/55/1286328455.db2.gz LJKRZYLLZTVOEC-HNNXBMFYSA-N 1 2 341.415 2.512 20 5 EFBDLO CCc1nnc2n1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920616 1286328459 /nfs/dbraw/zinc/32/84/59/1286328459.db2.gz LJKRZYLLZTVOEC-HNNXBMFYSA-N 1 2 341.415 2.512 20 5 EFBDLO O=C(Cc1c[nH]c[nH+]1)NCCCCCCNc1ccc([N+](=O)[O-])cc1 ZINC001095001742 1286400528 /nfs/dbraw/zinc/40/05/28/1286400528.db2.gz QRFWIMLEGYNIIV-UHFFFAOYSA-N 1 2 345.403 2.649 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001173226521 1286480977 /nfs/dbraw/zinc/48/09/77/1286480977.db2.gz KDZWJHZNLQKCFD-GFCCVEGCSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001173226521 1286480979 /nfs/dbraw/zinc/48/09/79/1286480979.db2.gz KDZWJHZNLQKCFD-GFCCVEGCSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001173233566 1286483953 /nfs/dbraw/zinc/48/39/53/1286483953.db2.gz XJEBDTYQHTUFCT-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001173233566 1286483959 /nfs/dbraw/zinc/48/39/59/1286483959.db2.gz XJEBDTYQHTUFCT-KSSFIOAISA-N 1 2 327.384 2.994 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871517563 1287122350 /nfs/dbraw/zinc/12/23/50/1287122350.db2.gz MCRSZAIHZLDKQE-GASCZTMLSA-N 1 2 338.367 2.819 20 5 EFBDLO Cc1c(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)cccc1[N+](=O)[O-] ZINC000748046822 1287996595 /nfs/dbraw/zinc/99/65/95/1287996595.db2.gz QIDULJJXWKABKZ-LBPRGKRZSA-N 1 2 334.445 2.512 20 5 EFBDLO C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC(OC(C)(C)C)C1 ZINC000817373900 1288566171 /nfs/dbraw/zinc/56/61/71/1288566171.db2.gz SVNFBQGQPVVKCN-UHFFFAOYSA-N 1 2 349.387 2.738 20 5 EFBDLO C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC(OC(C)(C)C)C1 ZINC000817373900 1288566174 /nfs/dbraw/zinc/56/61/74/1288566174.db2.gz SVNFBQGQPVVKCN-UHFFFAOYSA-N 1 2 349.387 2.738 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCCn2cc[nH+]c2)c1F ZINC000830493455 1288910934 /nfs/dbraw/zinc/91/09/34/1288910934.db2.gz YDRKAWJPSLVSSS-UHFFFAOYSA-N 1 2 338.314 2.540 20 5 EFBDLO Nc1cc(CC(=O)Nc2cc3nc4ccccc4nc3cc2N)cc[nH+]1 ZINC001181262885 1289759645 /nfs/dbraw/zinc/75/96/45/1289759645.db2.gz CFKHOASSEUOWAY-UHFFFAOYSA-N 1 2 344.378 2.524 20 5 EFBDLO O=C(OC1CCSCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000873556142 1289918332 /nfs/dbraw/zinc/91/83/32/1289918332.db2.gz UZARDFCUPZEMRD-UHFFFAOYSA-N 1 2 333.369 2.833 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2ccc(F)cc2C1=O ZINC000795643566 1290793310 /nfs/dbraw/zinc/79/33/10/1290793310.db2.gz FCDDFWYNPQLGJV-UHFFFAOYSA-N 1 2 343.358 2.822 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2ccc(F)cc2C1=O ZINC000795643566 1290793312 /nfs/dbraw/zinc/79/33/12/1290793312.db2.gz FCDDFWYNPQLGJV-UHFFFAOYSA-N 1 2 343.358 2.822 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000795644700 1290795065 /nfs/dbraw/zinc/79/50/65/1290795065.db2.gz OGEZNTHQKNYQCZ-WBVHZDCISA-N 1 2 331.416 2.818 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000795644700 1290795071 /nfs/dbraw/zinc/79/50/71/1290795071.db2.gz OGEZNTHQKNYQCZ-WBVHZDCISA-N 1 2 331.416 2.818 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000775179339 1291417833 /nfs/dbraw/zinc/41/78/33/1291417833.db2.gz NZNAWGPPJWHHBH-UHFFFAOYSA-N 1 2 345.290 2.808 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCCO1 ZINC000877990782 1291440283 /nfs/dbraw/zinc/44/02/83/1291440283.db2.gz WFBNBRLCPIPBQA-LBPRGKRZSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCCO1 ZINC000877990782 1291440291 /nfs/dbraw/zinc/44/02/91/1291440291.db2.gz WFBNBRLCPIPBQA-LBPRGKRZSA-N 1 2 332.360 2.646 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000016076957 1312867058 /nfs/dbraw/zinc/86/70/58/1312867058.db2.gz AEIHIZXMJVHKGK-UHFFFAOYSA-N 1 2 337.383 2.724 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796171774 1292275380 /nfs/dbraw/zinc/27/53/80/1292275380.db2.gz NFZYHIQJRJBXHW-GFCCVEGCSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796171774 1292275383 /nfs/dbraw/zinc/27/53/83/1292275383.db2.gz NFZYHIQJRJBXHW-GFCCVEGCSA-N 1 2 339.367 2.835 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CF)C1 ZINC000880293536 1292438972 /nfs/dbraw/zinc/43/89/72/1292438972.db2.gz ANFFEHQPYZBITB-NXEZZACHSA-N 1 2 329.759 2.867 20 5 EFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CF)C1 ZINC000880293536 1292438975 /nfs/dbraw/zinc/43/89/75/1292438975.db2.gz ANFFEHQPYZBITB-NXEZZACHSA-N 1 2 329.759 2.867 20 5 EFBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233556423 1312956534 /nfs/dbraw/zinc/95/65/34/1312956534.db2.gz MHJTVUGSHPKWKZ-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233556423 1312956535 /nfs/dbraw/zinc/95/65/35/1312956535.db2.gz MHJTVUGSHPKWKZ-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128950328 1292836736 /nfs/dbraw/zinc/83/67/36/1292836736.db2.gz DBRAMGGPDIKDRT-LBPRGKRZSA-N 1 2 347.444 2.964 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128950328 1292836746 /nfs/dbraw/zinc/83/67/46/1292836746.db2.gz DBRAMGGPDIKDRT-LBPRGKRZSA-N 1 2 347.444 2.964 20 5 EFBDLO COc1cc(CC[N+](=O)[O-])ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001233979660 1313030303 /nfs/dbraw/zinc/03/03/03/1313030303.db2.gz AKICFFZTIZKEGW-UHFFFAOYSA-N 1 2 342.395 2.778 20 5 EFBDLO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000885933345 1294568526 /nfs/dbraw/zinc/56/85/26/1294568526.db2.gz QZSBPADIJGWLTR-AWEZNQCLSA-N 1 2 329.356 2.652 20 5 EFBDLO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000885933345 1294568531 /nfs/dbraw/zinc/56/85/31/1294568531.db2.gz QZSBPADIJGWLTR-AWEZNQCLSA-N 1 2 329.356 2.652 20 5 EFBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886138755 1294723442 /nfs/dbraw/zinc/72/34/42/1294723442.db2.gz SMBNAJDHOZBYEZ-UHFFFAOYSA-N 1 2 325.372 2.901 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000886175189 1294753216 /nfs/dbraw/zinc/75/32/16/1294753216.db2.gz SNWKXMAWXXUVAX-CYBMUJFWSA-N 1 2 332.335 2.567 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000886175189 1294753222 /nfs/dbraw/zinc/75/32/22/1294753222.db2.gz SNWKXMAWXXUVAX-CYBMUJFWSA-N 1 2 332.335 2.567 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1[N+](=O)[O-] ZINC000851898125 1299455878 /nfs/dbraw/zinc/45/58/78/1299455878.db2.gz NOPTXVUPKZBZTP-JTQLQIEISA-N 1 2 346.343 2.699 20 5 EFBDLO Cc1nc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000776587848 1299643917 /nfs/dbraw/zinc/64/39/17/1299643917.db2.gz PPCZLZRDGXLRJQ-HNNXBMFYSA-N 1 2 346.387 2.769 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776607859 1299781289 /nfs/dbraw/zinc/78/12/89/1299781289.db2.gz LCUNTBZAPUSOBT-OALUTQOASA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776607859 1299781295 /nfs/dbraw/zinc/78/12/95/1299781295.db2.gz LCUNTBZAPUSOBT-OALUTQOASA-N 1 2 342.395 2.572 20 5 EFBDLO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@@H](C)S1 ZINC000853497988 1300139121 /nfs/dbraw/zinc/13/91/21/1300139121.db2.gz JANJCVBGFPRVFU-VXGBXAGGSA-N 1 2 333.417 2.637 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000853652897 1300216035 /nfs/dbraw/zinc/21/60/35/1300216035.db2.gz ZCSYDVCOLFIRQX-ZDUSSCGKSA-N 1 2 325.796 2.549 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245911912 1300816429 /nfs/dbraw/zinc/81/64/29/1300816429.db2.gz WYMOFWDTVPJIGG-DOMZBBRYSA-N 1 2 349.412 2.820 20 5 EFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245911912 1300816443 /nfs/dbraw/zinc/81/64/43/1300816443.db2.gz WYMOFWDTVPJIGG-DOMZBBRYSA-N 1 2 349.412 2.820 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000136210626 1302281317 /nfs/dbraw/zinc/28/13/17/1302281317.db2.gz DSDCZRRQLYQNGP-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118997149 1302423365 /nfs/dbraw/zinc/42/33/65/1302423365.db2.gz AMCWAEGQECXZNU-UHFFFAOYSA-N 1 2 334.351 2.569 20 5 EFBDLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000863675762 1302680500 /nfs/dbraw/zinc/68/05/00/1302680500.db2.gz XXABCZAYFJSQPS-SWLSCSKDSA-N 1 2 348.403 2.663 20 5 EFBDLO C[C@@H]1CCC[C@H]([N@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794619926 1302863924 /nfs/dbraw/zinc/86/39/24/1302863924.db2.gz MNWZHVNKQBJPMX-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794619926 1302863935 /nfs/dbraw/zinc/86/39/35/1302863935.db2.gz MNWZHVNKQBJPMX-OLZOCXBDSA-N 1 2 346.387 2.880 20 5 EFBDLO Cc1cccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794620582 1302865266 /nfs/dbraw/zinc/86/52/66/1302865266.db2.gz KQPRKNOVMCTGMT-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1cccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794620582 1302865275 /nfs/dbraw/zinc/86/52/75/1302865275.db2.gz KQPRKNOVMCTGMT-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1nn(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653015 1302902665 /nfs/dbraw/zinc/90/26/65/1302902665.db2.gz KXCNPKVWUFWFTI-DIFFPNOSSA-N 1 2 330.388 2.710 20 5 EFBDLO Cc1nn(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794653015 1302902672 /nfs/dbraw/zinc/90/26/72/1302902672.db2.gz KXCNPKVWUFWFTI-DIFFPNOSSA-N 1 2 330.388 2.710 20 5 EFBDLO CC(C)CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000120848276 1303486576 /nfs/dbraw/zinc/48/65/76/1303486576.db2.gz BCACNMQYIDVWBC-HNNXBMFYSA-N 1 2 345.403 2.558 20 5 EFBDLO CC(C)CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000120848276 1303486579 /nfs/dbraw/zinc/48/65/79/1303486579.db2.gz BCACNMQYIDVWBC-HNNXBMFYSA-N 1 2 345.403 2.558 20 5 EFBDLO C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000866583034 1303697494 /nfs/dbraw/zinc/69/74/94/1303697494.db2.gz RTAUWRYNLPHUGB-DOMZBBRYSA-N 1 2 346.362 2.583 20 5 EFBDLO C[NH+]1CCN(c2c(F)cccc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210397666 1314326198 /nfs/dbraw/zinc/32/61/98/1314326198.db2.gz GCBRQZZSHYDRJH-UHFFFAOYSA-N 1 2 346.362 2.935 20 5 EFBDLO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225630086 1311556802 /nfs/dbraw/zinc/55/68/02/1311556802.db2.gz VRMWHTZWVQOAAX-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225630086 1311556805 /nfs/dbraw/zinc/55/68/05/1311556805.db2.gz VRMWHTZWVQOAAX-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2ccccc2C1=O ZINC000902263722 1311588502 /nfs/dbraw/zinc/58/85/02/1311588502.db2.gz CQUBLBSFPAVZER-UHFFFAOYSA-N 1 2 325.368 2.683 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2ccccc2C1=O ZINC000902263722 1311588504 /nfs/dbraw/zinc/58/85/04/1311588504.db2.gz CQUBLBSFPAVZER-UHFFFAOYSA-N 1 2 325.368 2.683 20 5 EFBDLO COc1ccc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000780091938 1311662964 /nfs/dbraw/zinc/66/29/64/1311662964.db2.gz SIIBQQYGAVGRCU-QGZVFWFLSA-N 1 2 344.367 2.950 20 5 EFBDLO C[NH+](C)[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000780092772 1311683222 /nfs/dbraw/zinc/68/32/22/1311683222.db2.gz ODQXVCUUMGEJGY-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001227062262 1311756729 /nfs/dbraw/zinc/75/67/29/1311756729.db2.gz KZIJTAINRROZNC-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001227062262 1311756732 /nfs/dbraw/zinc/75/67/32/1311756732.db2.gz KZIJTAINRROZNC-INIZCTEOSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001227062263 1311757046 /nfs/dbraw/zinc/75/70/46/1311757046.db2.gz KZIJTAINRROZNC-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001227062263 1311757048 /nfs/dbraw/zinc/75/70/48/1311757048.db2.gz KZIJTAINRROZNC-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160722724 1311767696 /nfs/dbraw/zinc/76/76/96/1311767696.db2.gz IKSPJOGCYMPSGE-STQMWFEESA-N 1 2 340.811 2.617 20 5 EFBDLO CCOC(=O)c1ccnc(NCc2c[nH+]cn2C(C)C)c1[N+](=O)[O-] ZINC001161569043 1311918550 /nfs/dbraw/zinc/91/85/50/1311918550.db2.gz AXSSMVSFIXFJEC-UHFFFAOYSA-N 1 2 333.348 2.556 20 5 EFBDLO Cc1[nH]c2ccc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)cc2[nH+]1 ZINC001228330364 1311931507 /nfs/dbraw/zinc/93/15/07/1311931507.db2.gz XOIZHYJCFHQXFN-AWEZNQCLSA-N 1 2 339.355 2.832 20 5 EFBDLO O=[N+]([O-])c1cnccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001213036045 1311976462 /nfs/dbraw/zinc/97/64/62/1311976462.db2.gz TYPVVXFWARWKJS-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO Cc1ccc(N2CCC[C@H](Oc3cc(=O)[nH]c(C)c3[N+](=O)[O-])C2)[nH+]c1 ZINC001228689054 1311982687 /nfs/dbraw/zinc/98/26/87/1311982687.db2.gz OWCXAKFZWRRPMY-ZDUSSCGKSA-N 1 2 344.371 2.755 20 5 EFBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001161950625 1312011773 /nfs/dbraw/zinc/01/17/73/1312011773.db2.gz RRLCQYFRRRQOPB-GFCCVEGCSA-N 1 2 344.802 2.739 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000802784934 1312022527 /nfs/dbraw/zinc/02/25/27/1312022527.db2.gz UTTWBYRWDDCYMQ-UHFFFAOYSA-N 1 2 329.312 2.864 20 5 EFBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228968752 1312028689 /nfs/dbraw/zinc/02/86/89/1312028689.db2.gz OYPLDLYUCOISEY-AWEZNQCLSA-N 1 2 330.340 2.659 20 5 EFBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228968752 1312028692 /nfs/dbraw/zinc/02/86/92/1312028692.db2.gz OYPLDLYUCOISEY-AWEZNQCLSA-N 1 2 330.340 2.659 20 5 EFBDLO O=[N+]([O-])c1ccc(O)c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001229396477 1312089027 /nfs/dbraw/zinc/08/90/27/1312089027.db2.gz UXAVNDIXMYJMCD-HNNXBMFYSA-N 1 2 325.324 2.997 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229830933 1312146917 /nfs/dbraw/zinc/14/69/17/1312146917.db2.gz INLRIFDEJRFSQQ-JTQLQIEISA-N 1 2 334.294 2.713 20 5 EFBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc2ccc3cccnc3c2n1 ZINC001162849214 1312189160 /nfs/dbraw/zinc/18/91/60/1312189160.db2.gz HCIRIRHYMCMIBZ-AWEZNQCLSA-N 1 2 338.411 2.864 20 5 EFBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001230932471 1312396012 /nfs/dbraw/zinc/39/60/12/1312396012.db2.gz SIDCHXCOCGJWQG-LBPRGKRZSA-N 1 2 345.168 2.969 20 5 EFBDLO c1cnc2c(c1)ccc1ccc(C[NH+]3CCN([C@@H]4CCOC4)CC3)nc12 ZINC001232219634 1312651947 /nfs/dbraw/zinc/65/19/47/1312651947.db2.gz XIYDYKQRBJLGTJ-LJQANCHMSA-N 1 2 348.450 2.690 20 5 EFBDLO O=[N+]([O-])c1cncc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001213821568 1314609570 /nfs/dbraw/zinc/60/95/70/1314609570.db2.gz BQFJBXXBPZMGAT-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001248333853 1314925783 /nfs/dbraw/zinc/92/57/83/1314925783.db2.gz GYFSGFZJXJZEFP-LBPRGKRZSA-N 1 2 341.302 2.566 20 5 EFBDLO O=[N+]([O-])c1cccc(Br)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005583 1315131523 /nfs/dbraw/zinc/13/15/23/1315131523.db2.gz MGLYLNFAZOIBNK-VIFPVBQESA-N 1 2 337.120 2.733 20 5 EFBDLO COC(=O)[C@@H]1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[NH2+]1 ZINC001218178001 1315159973 /nfs/dbraw/zinc/15/99/73/1315159973.db2.gz NLIDHYYIRCFHBP-IRXDYDNUSA-N 1 2 342.351 2.544 20 5 EFBDLO Cc1cc(Br)c(O[C@H]2C[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218239618 1315169539 /nfs/dbraw/zinc/16/95/39/1315169539.db2.gz PICMZNJAHUTGNH-JTQLQIEISA-N 1 2 337.120 2.652 20 5 EFBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218351759 1315183864 /nfs/dbraw/zinc/18/38/64/1315183864.db2.gz YVCJVRHYTPVVJQ-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001219967682 1315360848 /nfs/dbraw/zinc/36/08/48/1315360848.db2.gz FOZYYTPUDNUDOB-QAPCUYQASA-N 1 2 348.402 2.626 20 5 EFBDLO Cc1cc(C[N@@H+]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC001252467464 1315452871 /nfs/dbraw/zinc/45/28/71/1315452871.db2.gz UGHVDUIRNYPIDI-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO Cc1cc(C[N@H+]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC001252467464 1315452876 /nfs/dbraw/zinc/45/28/76/1315452876.db2.gz UGHVDUIRNYPIDI-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001254564124 1315723853 /nfs/dbraw/zinc/72/38/53/1315723853.db2.gz ISOKHJDAGHNBJH-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001254564124 1315723856 /nfs/dbraw/zinc/72/38/56/1315723856.db2.gz ISOKHJDAGHNBJH-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO COC(=O)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254566103 1315724743 /nfs/dbraw/zinc/72/47/43/1315724743.db2.gz HSGSCLLESPEEPW-NVXWUHKLSA-N 1 2 332.400 2.774 20 5 EFBDLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579436 1315726392 /nfs/dbraw/zinc/72/63/92/1315726392.db2.gz SIGRWDSILFTQFT-DOTOQJQBSA-N 1 2 332.400 2.774 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039514649 1315853638 /nfs/dbraw/zinc/85/36/38/1315853638.db2.gz YBSNKONMQPIULG-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039514649 1315853641 /nfs/dbraw/zinc/85/36/41/1315853641.db2.gz YBSNKONMQPIULG-CALCHBBNSA-N 1 2 331.416 2.816 20 5 EFBDLO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001318492086 1328617855 /nfs/dbraw/zinc/61/78/55/1328617855.db2.gz ZDYYVYIUPUMIFI-UHFFFAOYSA-N 1 2 341.302 2.875 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317704819 1328310490 /nfs/dbraw/zinc/31/04/90/1328310490.db2.gz VGFBUZKRHAZMLJ-STQMWFEESA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317704819 1328310499 /nfs/dbraw/zinc/31/04/99/1328310499.db2.gz VGFBUZKRHAZMLJ-STQMWFEESA-N 1 2 343.383 2.660 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC001331591318 1330857085 /nfs/dbraw/zinc/85/70/85/1330857085.db2.gz UXVSWPUGDGVCDK-UHFFFAOYSA-N 1 2 337.177 2.639 20 5 EFBDLO COCn1ncc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001333628050 1331184189 /nfs/dbraw/zinc/18/41/89/1331184189.db2.gz CRGOTLWNRTZOFW-UHFFFAOYSA-N 1 2 330.388 2.868 20 5 EFBDLO COCn1ncc(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001333628050 1331184194 /nfs/dbraw/zinc/18/41/94/1331184194.db2.gz CRGOTLWNRTZOFW-UHFFFAOYSA-N 1 2 330.388 2.868 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810032 1331309925 /nfs/dbraw/zinc/30/99/25/1331309925.db2.gz XOSABPABRZCFMS-RNCFNFMXSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810032 1331309928 /nfs/dbraw/zinc/30/99/28/1331309928.db2.gz XOSABPABRZCFMS-RNCFNFMXSA-N 1 2 329.194 2.560 20 5 EFBDLO COc1cccc(N2CCC[N@H+](Cc3cc(C)on3)CC2)c1[N+](=O)[O-] ZINC001338251756 1331679416 /nfs/dbraw/zinc/67/94/16/1331679416.db2.gz WHHGKFHVMRZJGL-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO COc1cccc(N2CCC[N@@H+](Cc3cc(C)on3)CC2)c1[N+](=O)[O-] ZINC001338251756 1331679419 /nfs/dbraw/zinc/67/94/19/1331679419.db2.gz WHHGKFHVMRZJGL-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001341081305 1332232256 /nfs/dbraw/zinc/23/22/56/1332232256.db2.gz QYHPCNOBHODEHC-UHFFFAOYSA-N 1 2 342.399 2.965 20 5 EFBDLO COC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC001341551953 1332267439 /nfs/dbraw/zinc/26/74/39/1332267439.db2.gz AXXLYESVSJDUTM-UHFFFAOYSA-N 1 2 335.404 2.992 20 5 EFBDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC001341551953 1332267441 /nfs/dbraw/zinc/26/74/41/1332267441.db2.gz AXXLYESVSJDUTM-UHFFFAOYSA-N 1 2 335.404 2.992 20 5 EFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCc1cn2c([nH+]1)CCCC2 ZINC001344994083 1332500818 /nfs/dbraw/zinc/50/08/18/1332500818.db2.gz DVCXQGSCTXPOIA-RMKNXTFCSA-N 1 2 341.367 2.927 20 5 EFBDLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1 ZINC001345489837 1332542972 /nfs/dbraw/zinc/54/29/72/1332542972.db2.gz UPQVHBXKYWCJFN-UHFFFAOYSA-N 1 2 329.360 2.969 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001346240426 1332616017 /nfs/dbraw/zinc/61/60/17/1332616017.db2.gz ZNXDHOPDQHASGT-UHFFFAOYSA-N 1 2 329.360 2.740 20 5 EFBDLO COc1nc(Cl)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC001347201623 1332723683 /nfs/dbraw/zinc/72/36/83/1332723683.db2.gz WAEDVOBZJZBBDR-UHFFFAOYSA-N 1 2 338.795 2.665 20 5 EFBDLO COc1nc(Cl)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC001347201623 1332723685 /nfs/dbraw/zinc/72/36/85/1332723685.db2.gz WAEDVOBZJZBBDR-UHFFFAOYSA-N 1 2 338.795 2.665 20 5 EFBDLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001347279127 1332730659 /nfs/dbraw/zinc/73/06/59/1332730659.db2.gz PYCFBICSUZKQEB-INIZCTEOSA-N 1 2 343.358 2.829 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001347717282 1332768163 /nfs/dbraw/zinc/76/81/63/1332768163.db2.gz UKJZKDDUNUZCND-UHFFFAOYSA-N 1 2 329.360 2.740 20 5 EFBDLO Cn1c[nH+]cc1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001348148669 1332804564 /nfs/dbraw/zinc/80/45/64/1332804564.db2.gz DBEPRHYTKFQNLI-QPJJXVBHSA-N 1 2 340.383 2.748 20 5 EFBDLO CC(=O)[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000849794051 1335759167 /nfs/dbraw/zinc/75/91/67/1335759167.db2.gz MZYZVKHPKHZIDQ-LLVKDONJSA-N 1 2 331.328 2.553 20 5 EFBDLO CC(=O)[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000849794052 1335759243 /nfs/dbraw/zinc/75/92/43/1335759243.db2.gz MZYZVKHPKHZIDQ-NSHDSACASA-N 1 2 331.328 2.553 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804808620 713476888 /nfs/dbraw/zinc/47/68/88/713476888.db2.gz KGDFVBSLBXDUDU-YPMHNXCESA-N 1 2 348.428 2.504 20 5 EFBDLO CSCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000134227364 714218219 /nfs/dbraw/zinc/21/82/19/714218219.db2.gz XRJIWEYUNBTSJM-LLVKDONJSA-N 1 2 334.401 2.652 20 5 EFBDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526966 714451553 /nfs/dbraw/zinc/45/15/53/714451553.db2.gz LIAVNXGQUGCECW-PWSUYJOCSA-N 1 2 349.284 2.548 20 5 EFBDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526966 714451555 /nfs/dbraw/zinc/45/15/55/714451555.db2.gz LIAVNXGQUGCECW-PWSUYJOCSA-N 1 2 349.284 2.548 20 5 EFBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000891512312 714794255 /nfs/dbraw/zinc/79/42/55/714794255.db2.gz NDYXCIRTGJAQIP-UHFFFAOYSA-N 1 2 346.339 2.670 20 5 EFBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000891512312 714794258 /nfs/dbraw/zinc/79/42/58/714794258.db2.gz NDYXCIRTGJAQIP-UHFFFAOYSA-N 1 2 346.339 2.670 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543650 714839066 /nfs/dbraw/zinc/83/90/66/714839066.db2.gz IEJUJPBTIRGITO-CXAGYDPISA-N 1 2 330.388 2.771 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543650 714839067 /nfs/dbraw/zinc/83/90/67/714839067.db2.gz IEJUJPBTIRGITO-CXAGYDPISA-N 1 2 330.388 2.771 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145812 715742289 /nfs/dbraw/zinc/74/22/89/715742289.db2.gz BLDINQCUMNPCPL-RNCFNFMXSA-N 1 2 329.194 2.560 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145812 715742294 /nfs/dbraw/zinc/74/22/94/715742294.db2.gz BLDINQCUMNPCPL-RNCFNFMXSA-N 1 2 329.194 2.560 20 5 EFBDLO CCc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(CC)[nH+]1 ZINC000893544971 716714164 /nfs/dbraw/zinc/71/41/64/716714164.db2.gz IDRHWLLXOJHRLT-UHFFFAOYSA-N 1 2 330.392 2.548 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000981793876 719048814 /nfs/dbraw/zinc/04/88/14/719048814.db2.gz CMLVCAUVBAOJEC-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1coc(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000981793876 719048818 /nfs/dbraw/zinc/04/88/18/719048818.db2.gz CMLVCAUVBAOJEC-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552366 722780756 /nfs/dbraw/zinc/78/07/56/722780756.db2.gz GYHAZJMIZFYRIA-RHSMWYFYSA-N 1 2 348.399 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552366 722780757 /nfs/dbraw/zinc/78/07/57/722780757.db2.gz GYHAZJMIZFYRIA-RHSMWYFYSA-N 1 2 348.399 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552359 722780760 /nfs/dbraw/zinc/78/07/60/722780760.db2.gz GYHAZJMIZFYRIA-PBHICJAKSA-N 1 2 348.399 2.843 20 5 EFBDLO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894552359 722780762 /nfs/dbraw/zinc/78/07/62/722780762.db2.gz GYHAZJMIZFYRIA-PBHICJAKSA-N 1 2 348.399 2.843 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029184365 723021526 /nfs/dbraw/zinc/02/15/26/723021526.db2.gz QNXQJZXUUYOBRR-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029184365 723021527 /nfs/dbraw/zinc/02/15/27/723021527.db2.gz QNXQJZXUUYOBRR-CALCHBBNSA-N 1 2 329.400 2.570 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000896132792 723152041 /nfs/dbraw/zinc/15/20/41/723152041.db2.gz LJHUWPSZCFICFJ-CYBMUJFWSA-N 1 2 328.372 2.955 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1)C1(CF)CC1 ZINC001029467684 723156451 /nfs/dbraw/zinc/15/64/51/723156451.db2.gz WTXSMYDKXPVZOP-IYBDPMFKSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1)C1(CF)CC1 ZINC001029467684 723156454 /nfs/dbraw/zinc/15/64/54/723156454.db2.gz WTXSMYDKXPVZOP-IYBDPMFKSA-N 1 2 347.390 2.520 20 5 EFBDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029249289 723173058 /nfs/dbraw/zinc/17/30/58/723173058.db2.gz LRNONFUIGKASEF-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029249289 723173061 /nfs/dbraw/zinc/17/30/61/723173061.db2.gz LRNONFUIGKASEF-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029264054 723199793 /nfs/dbraw/zinc/19/97/93/723199793.db2.gz PJZVSCHUFJLGLO-NVAVRXRDSA-N 1 2 329.400 2.736 20 5 EFBDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029264054 723199794 /nfs/dbraw/zinc/19/97/94/723199794.db2.gz PJZVSCHUFJLGLO-NVAVRXRDSA-N 1 2 329.400 2.736 20 5 EFBDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029263723 723202180 /nfs/dbraw/zinc/20/21/80/723202180.db2.gz ZAHCRHDFEAGLTE-KNJCEGJGSA-N 1 2 329.400 2.736 20 5 EFBDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029263723 723202186 /nfs/dbraw/zinc/20/21/86/723202186.db2.gz ZAHCRHDFEAGLTE-KNJCEGJGSA-N 1 2 329.400 2.736 20 5 EFBDLO CCn1c[nH+]c2c1CCN(c1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC000896659925 723421479 /nfs/dbraw/zinc/42/14/79/723421479.db2.gz ORZFRYSULZSJNW-UHFFFAOYSA-N 1 2 329.385 2.984 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029561069 723958399 /nfs/dbraw/zinc/95/83/99/723958399.db2.gz KUFDGQBPOVQYHF-GASCZTMLSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029561069 723958400 /nfs/dbraw/zinc/95/84/00/723958400.db2.gz KUFDGQBPOVQYHF-GASCZTMLSA-N 1 2 331.416 2.816 20 5 EFBDLO CNc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000729342708 726317203 /nfs/dbraw/zinc/31/72/03/726317203.db2.gz ORPGUGUOUQJJCS-HNNXBMFYSA-N 1 2 345.403 2.678 20 5 EFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731472810 726873695 /nfs/dbraw/zinc/87/36/95/726873695.db2.gz KRHRAAZUCJNEJP-AWEZNQCLSA-N 1 2 334.351 2.775 20 5 EFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731472811 726873921 /nfs/dbraw/zinc/87/39/21/726873921.db2.gz KRHRAAZUCJNEJP-CQSZACIVSA-N 1 2 334.351 2.775 20 5 EFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910791346 727463977 /nfs/dbraw/zinc/46/39/77/727463977.db2.gz RJHVSHJLWUOJLH-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910791346 727463978 /nfs/dbraw/zinc/46/39/78/727463978.db2.gz RJHVSHJLWUOJLH-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO CC[C@H](C)C[N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000171890400 728559174 /nfs/dbraw/zinc/55/91/74/728559174.db2.gz FWHQFXCEYNDBHR-ZDUSSCGKSA-N 1 2 330.388 2.754 20 5 EFBDLO CC[C@H](C)C[N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000171890400 728559175 /nfs/dbraw/zinc/55/91/75/728559175.db2.gz FWHQFXCEYNDBHR-ZDUSSCGKSA-N 1 2 330.388 2.754 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000172174297 728570863 /nfs/dbraw/zinc/57/08/63/728570863.db2.gz XIDFPYHCDGBOHT-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172904704 728609906 /nfs/dbraw/zinc/60/99/06/728609906.db2.gz RLHSLOAVRUOGBH-NEPJUHHUSA-N 1 2 333.417 2.637 20 5 EFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172904704 728609908 /nfs/dbraw/zinc/60/99/08/728609908.db2.gz RLHSLOAVRUOGBH-NEPJUHHUSA-N 1 2 333.417 2.637 20 5 EFBDLO CCOC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000050067183 1100681331 /nfs/dbraw/zinc/68/13/31/1100681331.db2.gz UWBUXYRWMXMQRZ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO CCOC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000050067183 1100681335 /nfs/dbraw/zinc/68/13/35/1100681335.db2.gz UWBUXYRWMXMQRZ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1N ZINC001579635666 1090648115 /nfs/dbraw/zinc/64/81/15/1090648115.db2.gz YSUUFGAPMCEDHH-UHFFFAOYSA-N 1 2 337.339 2.923 20 5 EFBDLO Cc1cc(NCc2cc[nH+]c(N)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167617402 1093116569 /nfs/dbraw/zinc/11/65/69/1093116569.db2.gz PQNOYAXBWBUCSN-UHFFFAOYSA-N 1 2 336.355 2.950 20 5 EFBDLO C[C@H]1c2ccccc2C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605447732 1097126926 /nfs/dbraw/zinc/12/69/26/1097126926.db2.gz HABYLKQYJQZJBU-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605447732 1097126931 /nfs/dbraw/zinc/12/69/31/1097126931.db2.gz HABYLKQYJQZJBU-NSHDSACASA-N 1 2 336.355 2.852 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796666914 1099291150 /nfs/dbraw/zinc/29/11/50/1099291150.db2.gz FEEKZULDVCIJGI-LSDHHAIUSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796666914 1099291156 /nfs/dbraw/zinc/29/11/56/1099291156.db2.gz FEEKZULDVCIJGI-LSDHHAIUSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1cc(C)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000905318127 1103047014 /nfs/dbraw/zinc/04/70/14/1103047014.db2.gz CLGNUHNFXHOOKX-UHFFFAOYSA-N 1 2 328.372 2.757 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000905733181 1103568094 /nfs/dbraw/zinc/56/80/94/1103568094.db2.gz SYEPSEOKHHTUSP-LLVKDONJSA-N 1 2 333.417 2.574 20 5 EFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000905733181 1103568104 /nfs/dbraw/zinc/56/81/04/1103568104.db2.gz SYEPSEOKHHTUSP-LLVKDONJSA-N 1 2 333.417 2.574 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906353153 1104146250 /nfs/dbraw/zinc/14/62/50/1104146250.db2.gz XTDDCUDPBROYCA-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO O=[N+]([O-])CC[NH2+]Cc1cc(Br)ccc1Br ZINC000905221551 1108531656 /nfs/dbraw/zinc/53/16/56/1108531656.db2.gz XJEUPJMVYQBETQ-UHFFFAOYSA-N 1 2 337.999 2.578 20 5 EFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000754078924 1111130817 /nfs/dbraw/zinc/13/08/17/1111130817.db2.gz CDWLSNVYLNYSRE-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000754078924 1111130820 /nfs/dbraw/zinc/13/08/20/1111130820.db2.gz CDWLSNVYLNYSRE-SNVBAGLBSA-N 1 2 328.210 2.888 20 5 EFBDLO CO[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000072511108 1119699454 /nfs/dbraw/zinc/69/94/54/1119699454.db2.gz GMKAOGPHZQCXAS-KBPBESRZSA-N 1 2 345.355 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330.344 2.850 20 5 EFBDLO COCCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803671 250611874 /nfs/dbraw/zinc/61/18/74/250611874.db2.gz BFNDFMLEALOEEC-UHFFFAOYSA-N 1 2 337.420 2.656 20 5 EFBDLO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000095416481 218354666 /nfs/dbraw/zinc/35/46/66/218354666.db2.gz WDLYXLVFGWOZLE-VIFPVBQESA-N 1 2 340.181 2.697 20 5 EFBDLO COc1cc(C[NH+]2CC3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449371208 251002748 /nfs/dbraw/zinc/00/27/48/251002748.db2.gz RMLBGESBOWFNLC-UHFFFAOYSA-N 1 2 328.315 2.843 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000449459297 251032210 /nfs/dbraw/zinc/03/22/10/251032210.db2.gz KJRLAFSITFJOQH-UHFFFAOYSA-N 1 2 329.404 2.856 20 5 EFBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCC2 ZINC000449456642 251033007 /nfs/dbraw/zinc/03/30/07/251033007.db2.gz DOPAOYJGGLRPHP-UHFFFAOYSA-N 1 2 333.367 2.687 20 5 EFBDLO Cc1ccc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000449458882 251033104 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20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288353 224083982 /nfs/dbraw/zinc/08/39/82/224083982.db2.gz GBWFAXYCRYUMJR-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288353 224083983 /nfs/dbraw/zinc/08/39/83/224083983.db2.gz GBWFAXYCRYUMJR-AWEZNQCLSA-N 1 2 331.416 2.818 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000354982276 285082602 /nfs/dbraw/zinc/08/26/02/285082602.db2.gz GKTVZNMJPHRWHU-LBPRGKRZSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000354982276 285082604 /nfs/dbraw/zinc/08/26/04/285082604.db2.gz GKTVZNMJPHRWHU-LBPRGKRZSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000356518414 285142582 /nfs/dbraw/zinc/14/25/82/285142582.db2.gz DKTQCKUQNDEUFX-UHFFFAOYSA-N 1 2 326.352 2.924 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000356518414 285142583 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141768209 /nfs/dbraw/zinc/76/82/09/141768209.db2.gz VCQMNLPRUCZSDN-UHFFFAOYSA-N 1 2 325.328 2.607 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000341716045 141855053 /nfs/dbraw/zinc/85/50/53/141855053.db2.gz UZNMRPPNFOCWKZ-OAHLLOKOSA-N 1 2 339.355 2.691 20 5 EFBDLO C[C@@H]1COCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343516557 142011054 /nfs/dbraw/zinc/01/10/54/142011054.db2.gz IUSHCGHBDSZDEY-GDBMZVCRSA-N 1 2 349.431 2.512 20 5 EFBDLO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000345994540 142130169 /nfs/dbraw/zinc/13/01/69/142130169.db2.gz KGOMUWCZUVCOBE-XHDPSFHLSA-N 1 2 332.335 2.654 20 5 EFBDLO Cc1cccn2cc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH+]c12 ZINC000346408195 142200695 /nfs/dbraw/zinc/20/06/95/142200695.db2.gz HXMVYECRLXDDES-UHFFFAOYSA-N 1 2 349.350 2.962 20 5 EFBDLO C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000347987147 142304501 /nfs/dbraw/zinc/30/45/01/142304501.db2.gz BCPSWFWAZBAZJO-NSHDSACASA-N 1 2 342.330 2.802 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000349554029 142336729 /nfs/dbraw/zinc/33/67/29/142336729.db2.gz SSQUHGIXKAAWSL-UHFFFAOYSA-N 1 2 336.351 2.844 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000349728036 142352266 /nfs/dbraw/zinc/35/22/66/142352266.db2.gz BTPUZGPAECPDHT-UHFFFAOYSA-N 1 2 341.411 2.661 20 5 EFBDLO Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000350019379 142391003 /nfs/dbraw/zinc/39/10/03/142391003.db2.gz IIYKHNVFUKZKCI-UHFFFAOYSA-N 1 2 334.763 2.738 20 5 EFBDLO O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000342328899 145102184 /nfs/dbraw/zinc/10/21/84/145102184.db2.gz YRSWTPWLLZWSRN-UHFFFAOYSA-N 1 2 328.353 2.973 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342536111 145144545 /nfs/dbraw/zinc/14/45/45/145144545.db2.gz XUBHXWWLKUVEKY-UHFFFAOYSA-N 1 2 327.387 2.575 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000342686972 145172930 /nfs/dbraw/zinc/17/29/30/145172930.db2.gz ZFBOYCYLSIOHJA-LLVKDONJSA-N 1 2 343.368 2.652 20 5 EFBDLO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000342686974 145173129 /nfs/dbraw/zinc/17/31/29/145173129.db2.gz ZFBOYCYLSIOHJA-NSHDSACASA-N 1 2 343.368 2.652 20 5 EFBDLO CC(C)SCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343817549 145300855 /nfs/dbraw/zinc/30/08/55/145300855.db2.gz VLAXGSBQQSTQGX-UHFFFAOYSA-N 1 2 339.461 2.981 20 5 EFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344179852 145385755 /nfs/dbraw/zinc/38/57/55/145385755.db2.gz MMNSFQSRXKWPMU-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000344233010 145398654 /nfs/dbraw/zinc/39/86/54/145398654.db2.gz HFXYTUHXXLAJBC-UHFFFAOYSA-N 1 2 329.356 2.883 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000344233010 145398656 /nfs/dbraw/zinc/39/86/56/145398656.db2.gz HFXYTUHXXLAJBC-UHFFFAOYSA-N 1 2 329.356 2.883 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000348241995 145905265 /nfs/dbraw/zinc/90/52/65/145905265.db2.gz QPJLFOLUCKOJIZ-UHFFFAOYSA-N 1 2 333.369 2.650 20 5 EFBDLO Cc1c[nH+]ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351146082 146113179 /nfs/dbraw/zinc/11/31/79/146113179.db2.gz PHHYRXHMIQPTCQ-UHFFFAOYSA-N 1 2 334.763 2.738 20 5 EFBDLO CCOCCO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351758795 146196400 /nfs/dbraw/zinc/19/64/00/146196400.db2.gz QUZLOSQHMRJUPQ-GFCCVEGCSA-N 1 2 330.331 2.500 20 5 EFBDLO CCOCCO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351758795 146196401 /nfs/dbraw/zinc/19/64/01/146196401.db2.gz QUZLOSQHMRJUPQ-GFCCVEGCSA-N 1 2 330.331 2.500 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(F)c1 ZINC000352050876 146276804 /nfs/dbraw/zinc/27/68/04/146276804.db2.gz WAJXNTCHMGSRMI-ZDUSSCGKSA-N 1 2 342.342 2.643 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(F)c1 ZINC000352050875 146276984 /nfs/dbraw/zinc/27/69/84/146276984.db2.gz WAJXNTCHMGSRMI-CYBMUJFWSA-N 1 2 342.342 2.643 20 5 EFBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000352148604 146302168 /nfs/dbraw/zinc/30/21/68/146302168.db2.gz QAIQXXPKSPZKKT-UHFFFAOYSA-N 1 2 346.730 2.957 20 5 EFBDLO Cc1cc(N(C)CC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000353272096 146436478 /nfs/dbraw/zinc/43/64/78/146436478.db2.gz ZZSYPPMHTVJDMH-UHFFFAOYSA-N 1 2 328.372 2.711 20 5 EFBDLO CCOc1cc(N2CC[NH+](Cc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC000355574855 147000773 /nfs/dbraw/zinc/00/07/73/147000773.db2.gz YNZYOMBTRPQBHM-UHFFFAOYSA-N 1 2 348.428 2.772 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355609392 147011564 /nfs/dbraw/zinc/01/15/64/147011564.db2.gz QITUZIQGEZBPPQ-LBPRGKRZSA-N 1 2 329.360 2.545 20 5 EFBDLO O=C(CCc1c[nH+]c[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187454 147171194 /nfs/dbraw/zinc/17/11/94/147171194.db2.gz CVMWOZGHALRKKA-OAHLLOKOSA-N 1 2 332.385 2.525 20 5 EFBDLO O=C(CCc1c[nH]c[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187454 147171198 /nfs/dbraw/zinc/17/11/98/147171198.db2.gz CVMWOZGHALRKKA-OAHLLOKOSA-N 1 2 332.385 2.525 20 5 EFBDLO O=C(CCc1c[nH+]c[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187453 147171251 /nfs/dbraw/zinc/17/12/51/147171251.db2.gz CVMWOZGHALRKKA-HNNXBMFYSA-N 1 2 332.385 2.525 20 5 EFBDLO O=C(CCc1c[nH]c[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187453 147171252 /nfs/dbraw/zinc/17/12/52/147171252.db2.gz CVMWOZGHALRKKA-HNNXBMFYSA-N 1 2 332.385 2.525 20 5 EFBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685721 147309332 /nfs/dbraw/zinc/30/93/32/147309332.db2.gz XIFFOWWVLKPBBR-KBXCAEBGSA-N 1 2 345.443 2.990 20 5 EFBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356685721 147309333 /nfs/dbraw/zinc/30/93/33/147309333.db2.gz XIFFOWWVLKPBBR-KBXCAEBGSA-N 1 2 345.443 2.990 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359513872 148106208 /nfs/dbraw/zinc/10/62/08/148106208.db2.gz FXIPNMNBADNJCT-UHFFFAOYSA-N 1 2 328.250 2.575 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000359658931 148154369 /nfs/dbraw/zinc/15/43/69/148154369.db2.gz FKUGJMUQULRJRW-CABCVRRESA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000359658931 148154372 /nfs/dbraw/zinc/15/43/72/148154372.db2.gz FKUGJMUQULRJRW-CABCVRRESA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000359658932 148154597 /nfs/dbraw/zinc/15/45/97/148154597.db2.gz FKUGJMUQULRJRW-GJZGRUSLSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000359658932 148154600 /nfs/dbraw/zinc/15/46/00/148154600.db2.gz FKUGJMUQULRJRW-GJZGRUSLSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664355 148155790 /nfs/dbraw/zinc/15/57/90/148155790.db2.gz XNXSUOXYEPCOPM-HOCLYGCPSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000359664355 148155793 /nfs/dbraw/zinc/15/57/93/148155793.db2.gz XNXSUOXYEPCOPM-HOCLYGCPSA-N 1 2 347.394 2.661 20 5 EFBDLO O=C(Nc1cc2c(cn1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359746587 148178707 /nfs/dbraw/zinc/17/87/07/148178707.db2.gz MUGCNUSBVOPKMR-UHFFFAOYSA-N 1 2 349.350 2.917 20 5 EFBDLO CNc1c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cccc1[N+](=O)[O-] ZINC000361172781 148562734 /nfs/dbraw/zinc/56/27/34/148562734.db2.gz WZCGAOVZQJZXNY-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000364286401 149115479 /nfs/dbraw/zinc/11/54/79/149115479.db2.gz XIRYJCBJJGFKCB-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000364731447 149229161 /nfs/dbraw/zinc/22/91/61/149229161.db2.gz BCORIGGPUDKVNF-LBPRGKRZSA-N 1 2 329.360 2.658 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365201865 149342946 /nfs/dbraw/zinc/34/29/46/149342946.db2.gz STTGEHRMAZLWEN-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000365376576 149381464 /nfs/dbraw/zinc/38/14/64/149381464.db2.gz DMBVAPZVZUMIJA-JXMROGBWSA-N 1 2 340.383 2.799 20 5 EFBDLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369372196 150338292 /nfs/dbraw/zinc/33/82/92/150338292.db2.gz ZRODMHMQODLKOB-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000372703452 151049142 /nfs/dbraw/zinc/04/91/42/151049142.db2.gz PFWRJWSTJWJZRQ-UHFFFAOYSA-N 1 2 342.399 2.732 20 5 EFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000373800689 151227550 /nfs/dbraw/zinc/22/75/50/151227550.db2.gz NBWFQNXICZVBED-OAHLLOKOSA-N 1 2 338.404 2.619 20 5 EFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)ccc1[N+](=O)[O-] ZINC000373800689 151227551 /nfs/dbraw/zinc/22/75/51/151227551.db2.gz NBWFQNXICZVBED-OAHLLOKOSA-N 1 2 338.404 2.619 20 5 EFBDLO CCc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374339136 151326956 /nfs/dbraw/zinc/32/69/56/151326956.db2.gz GASXEOSVJJGUAX-CQSZACIVSA-N 1 2 328.372 2.520 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374572931 151373318 /nfs/dbraw/zinc/37/33/18/151373318.db2.gz RTUOZTDEIXBNFT-INIZCTEOSA-N 1 2 332.331 2.662 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374572931 151373320 /nfs/dbraw/zinc/37/33/20/151373320.db2.gz RTUOZTDEIXBNFT-INIZCTEOSA-N 1 2 332.331 2.662 20 5 EFBDLO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000408417642 152187428 /nfs/dbraw/zinc/18/74/28/152187428.db2.gz ZQXYANULPNGAGK-NFAWXSAZSA-N 1 2 347.415 2.778 20 5 EFBDLO Cc1c(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000164091915 226044724 /nfs/dbraw/zinc/04/47/24/226044724.db2.gz BFSLTGRQKAGSBY-UHFFFAOYSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124239515 222397955 /nfs/dbraw/zinc/39/79/55/222397955.db2.gz YUZFYUKRHIXBDR-PBHICJAKSA-N 1 2 342.399 2.834 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000030012097 544436140 /nfs/dbraw/zinc/43/61/40/544436140.db2.gz KGOPGOORYPHICU-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO O=C(NC[C@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068835247 544459132 /nfs/dbraw/zinc/45/91/32/544459132.db2.gz QNSICMBVGGHBHF-ZDUSSCGKSA-N 1 2 326.356 2.867 20 5 EFBDLO O=C(NCC1(C2CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179144994 544911056 /nfs/dbraw/zinc/91/10/56/544911056.db2.gz VCPHVXSNRPSORE-UHFFFAOYSA-N 1 2 326.356 2.701 20 5 EFBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181952782 544938435 /nfs/dbraw/zinc/93/84/35/544938435.db2.gz WSVQRPZQXNKCEH-SECBINFHSA-N 1 2 335.310 2.823 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[S@@](=O)c1ccccc1)CC2 ZINC000088605694 264655473 /nfs/dbraw/zinc/65/54/73/264655473.db2.gz AYOSXVGIQYUDBM-QHCPKHFHSA-N 1 2 330.409 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[S@@](=O)c1ccccc1)CC2 ZINC000088605694 264655475 /nfs/dbraw/zinc/65/54/75/264655475.db2.gz AYOSXVGIQYUDBM-QHCPKHFHSA-N 1 2 330.409 2.761 20 5 EFBDLO COc1cc(CNc2[nH+]cccc2OC(F)F)c([N+](=O)[O-])cc1O ZINC000189268166 265180441 /nfs/dbraw/zinc/18/04/41/265180441.db2.gz LCHSHZCMNJOXRS-UHFFFAOYSA-N 1 2 341.270 2.918 20 5 EFBDLO COc1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000047992878 272983946 /nfs/dbraw/zinc/98/39/46/272983946.db2.gz ABSPPQMHMRLXGD-UHFFFAOYSA-N 1 2 334.344 2.754 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1[N+](=O)[O-] ZINC000192633446 265303386 /nfs/dbraw/zinc/30/33/86/265303386.db2.gz OTFNJPRCVDBVKJ-UHFFFAOYSA-N 1 2 339.395 2.612 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1[N+](=O)[O-] ZINC000192633446 265303389 /nfs/dbraw/zinc/30/33/89/265303389.db2.gz OTFNJPRCVDBVKJ-UHFFFAOYSA-N 1 2 339.395 2.612 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000271043503 265886759 /nfs/dbraw/zinc/88/67/59/265886759.db2.gz ULAGZEIRLKWYBT-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccncc2)CC1 ZINC000271043503 265886762 /nfs/dbraw/zinc/88/67/62/265886762.db2.gz ULAGZEIRLKWYBT-HNNXBMFYSA-N 1 2 326.400 2.869 20 5 EFBDLO Cn1cc[nH+]c1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000271678515 266040487 /nfs/dbraw/zinc/04/04/87/266040487.db2.gz YOGRLOYOUHMNCU-UHFFFAOYSA-N 1 2 345.237 2.867 20 5 EFBDLO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000271763016 266055853 /nfs/dbraw/zinc/05/58/53/266055853.db2.gz PEIFIOKHAGVOAD-NSHDSACASA-N 1 2 348.428 2.533 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000271855529 266080095 /nfs/dbraw/zinc/08/00/95/266080095.db2.gz YEWNFUGXTHFPNZ-GFCCVEGCSA-N 1 2 331.376 2.539 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000272392212 266252380 /nfs/dbraw/zinc/25/23/80/266252380.db2.gz XXPYINQYOJMVBV-KSSFIOAISA-N 1 2 344.415 2.945 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000272392212 266252382 /nfs/dbraw/zinc/25/23/82/266252382.db2.gz XXPYINQYOJMVBV-KSSFIOAISA-N 1 2 344.415 2.945 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272694498 266353693 /nfs/dbraw/zinc/35/36/93/266353693.db2.gz UYWNZKZPPSGRMF-OAHLLOKOSA-N 1 2 346.387 2.545 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272694498 266353696 /nfs/dbraw/zinc/35/36/96/266353696.db2.gz UYWNZKZPPSGRMF-OAHLLOKOSA-N 1 2 346.387 2.545 20 5 EFBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000109147117 273011431 /nfs/dbraw/zinc/01/14/31/273011431.db2.gz ZAIICQSJJJDFGJ-GWCFXTLKSA-N 1 2 332.385 2.507 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1C ZINC000276587505 267017860 /nfs/dbraw/zinc/01/78/60/267017860.db2.gz HXBREGGRUBZMKH-GFCCVEGCSA-N 1 2 344.371 2.655 20 5 EFBDLO Cc1cc(NC[C@H]2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016791 267099369 /nfs/dbraw/zinc/09/93/69/267099369.db2.gz YNOKITLHIJIKNE-WFASDCNBSA-N 1 2 328.372 2.933 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795313 267265393 /nfs/dbraw/zinc/26/53/93/267265393.db2.gz OWADKRIHUPUWQO-MFKMUULPSA-N 1 2 336.285 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000277795313 267265395 /nfs/dbraw/zinc/26/53/95/267265395.db2.gz OWADKRIHUPUWQO-MFKMUULPSA-N 1 2 336.285 2.869 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277866346 267285240 /nfs/dbraw/zinc/28/52/40/267285240.db2.gz UMFMRZLRWPPXLZ-OLZOCXBDSA-N 1 2 326.418 2.555 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277866346 267285243 /nfs/dbraw/zinc/28/52/43/267285243.db2.gz UMFMRZLRWPPXLZ-OLZOCXBDSA-N 1 2 326.418 2.555 20 5 EFBDLO Nc1[nH+]cnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000277949779 267307083 /nfs/dbraw/zinc/30/70/83/267307083.db2.gz XPQMPVHSTDMZHJ-UHFFFAOYSA-N 1 2 349.778 2.668 20 5 EFBDLO Nc1nc[nH+]c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000277949779 267307086 /nfs/dbraw/zinc/30/70/86/267307086.db2.gz XPQMPVHSTDMZHJ-UHFFFAOYSA-N 1 2 349.778 2.668 20 5 EFBDLO CC1(C)COCC[N@@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278185735 267364171 /nfs/dbraw/zinc/36/41/71/267364171.db2.gz DHKHNUJZGFSFNN-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO CC1(C)COCC[N@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278185735 267364173 /nfs/dbraw/zinc/36/41/73/267364173.db2.gz DHKHNUJZGFSFNN-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000269637094 273086514 /nfs/dbraw/zinc/08/65/14/273086514.db2.gz MYIXSEKSGWJBLG-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO COc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274259375 273128105 /nfs/dbraw/zinc/12/81/05/273128105.db2.gz AZDJJAUIDSSACX-GFCCVEGCSA-N 1 2 348.428 2.943 20 5 EFBDLO COc1cc(C[N@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274355140 273133560 /nfs/dbraw/zinc/13/35/60/273133560.db2.gz XWQRIRSYHIHCSB-MRXNPFEDSA-N 1 2 334.347 2.908 20 5 EFBDLO COc1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274355140 273133561 /nfs/dbraw/zinc/13/35/61/273133561.db2.gz XWQRIRSYHIHCSB-MRXNPFEDSA-N 1 2 334.347 2.908 20 5 EFBDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279022581 273167628 /nfs/dbraw/zinc/16/76/28/273167628.db2.gz CDBHNYAQBSIEFR-VIFPVBQESA-N 1 2 347.400 2.649 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000279499708 273222040 /nfs/dbraw/zinc/22/20/40/273222040.db2.gz QIPSVTKCSLGVSC-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000279724490 273246269 /nfs/dbraw/zinc/24/62/69/273246269.db2.gz JAUJRBOUQREGLA-CQSZACIVSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000279724490 273246270 /nfs/dbraw/zinc/24/62/70/273246270.db2.gz JAUJRBOUQREGLA-CQSZACIVSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000279724488 273246340 /nfs/dbraw/zinc/24/63/40/273246340.db2.gz JAUJRBOUQREGLA-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000279724488 273246341 /nfs/dbraw/zinc/24/63/41/273246341.db2.gz JAUJRBOUQREGLA-AWEZNQCLSA-N 1 2 346.387 2.892 20 5 EFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCOCC2)O1 ZINC000279753668 273249672 /nfs/dbraw/zinc/24/96/72/273249672.db2.gz LPLNVUFLHQBJPW-LBPRGKRZSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCOCC2)O1 ZINC000279753668 273249673 /nfs/dbraw/zinc/24/96/73/273249673.db2.gz LPLNVUFLHQBJPW-LBPRGKRZSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553816 273340310 /nfs/dbraw/zinc/34/03/10/273340310.db2.gz UMHHRZOKTRNQEI-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000280553816 273340311 /nfs/dbraw/zinc/34/03/11/273340311.db2.gz UMHHRZOKTRNQEI-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280702631 273357383 /nfs/dbraw/zinc/35/73/83/273357383.db2.gz FMHLNWYGJUUNNS-UHFFFAOYSA-N 1 2 341.358 2.530 20 5 EFBDLO CSCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281216940 273412053 /nfs/dbraw/zinc/41/20/53/273412053.db2.gz JIUXBLJHLVVITB-UHFFFAOYSA-N 1 2 334.401 2.606 20 5 EFBDLO COc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c([N+](=O)[O-])cc1O ZINC000281991678 273498704 /nfs/dbraw/zinc/49/87/04/273498704.db2.gz LJHHOUCCMDGGNG-UHFFFAOYSA-N 1 2 337.763 2.956 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000282691528 273601400 /nfs/dbraw/zinc/60/14/00/273601400.db2.gz RMJXSVANYLOVLB-UHFFFAOYSA-N 1 2 330.344 2.707 20 5 EFBDLO COCCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284102885 273797433 /nfs/dbraw/zinc/79/74/33/273797433.db2.gz OOEMEPVIIMJIQZ-UHFFFAOYSA-N 1 2 330.331 2.500 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285511424 274015001 /nfs/dbraw/zinc/01/50/01/274015001.db2.gz FZDWMCKHQRGPGB-GFCCVEGCSA-N 1 2 327.406 2.757 20 5 EFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285511424 274015002 /nfs/dbraw/zinc/01/50/02/274015002.db2.gz FZDWMCKHQRGPGB-GFCCVEGCSA-N 1 2 327.406 2.757 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cc1 ZINC000285591893 274032879 /nfs/dbraw/zinc/03/28/79/274032879.db2.gz TYWDLHJRKXMERV-HNNXBMFYSA-N 1 2 344.371 2.961 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cc1 ZINC000285591893 274032880 /nfs/dbraw/zinc/03/28/80/274032880.db2.gz TYWDLHJRKXMERV-HNNXBMFYSA-N 1 2 344.371 2.961 20 5 EFBDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285598377 274034266 /nfs/dbraw/zinc/03/42/66/274034266.db2.gz LGQLNJZSOXHODG-UHFFFAOYSA-N 1 2 343.374 2.904 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801246 274077714 /nfs/dbraw/zinc/07/77/14/274077714.db2.gz FUQNZCRCPJUHEE-DOMZBBRYSA-N 1 2 339.823 2.543 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000286172143 274146950 /nfs/dbraw/zinc/14/69/50/274146950.db2.gz PNABOKNGIGIUEY-UHFFFAOYSA-N 1 2 329.356 2.713 20 5 EFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000286250201 274162249 /nfs/dbraw/zinc/16/22/49/274162249.db2.gz FXFDESICSPXGPF-AAEUAGOBSA-N 1 2 325.796 2.548 20 5 EFBDLO CCOC(=O)c1ccnc(NCCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000286602288 274234190 /nfs/dbraw/zinc/23/41/90/274234190.db2.gz PICQJBCDIWTOJB-UHFFFAOYSA-N 1 2 344.371 2.915 20 5 EFBDLO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000127826622 274298640 /nfs/dbraw/zinc/29/86/40/274298640.db2.gz WMZBLYAOSOFAAY-IUODEOHRSA-N 1 2 329.360 2.906 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)OCc2c[nH+]ccc2OC)c1 ZINC000286983046 274315080 /nfs/dbraw/zinc/31/50/80/274315080.db2.gz PGQHWMLLUYGQJH-UHFFFAOYSA-N 1 2 332.312 2.754 20 5 EFBDLO COc1cc(C[NH2+]Cc2noc3c2CCCC3)c([N+](=O)[O-])cc1OC ZINC000288369864 274578675 /nfs/dbraw/zinc/57/86/75/274578675.db2.gz DZTRWEHVQRLTAY-UHFFFAOYSA-N 1 2 347.371 2.769 20 5 EFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000289718164 274809633 /nfs/dbraw/zinc/80/96/33/274809633.db2.gz IDCSHAZXJWHACK-UHFFFAOYSA-N 1 2 329.360 2.786 20 5 EFBDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000289782106 274821262 /nfs/dbraw/zinc/82/12/62/274821262.db2.gz HFEVMWBOHXWYLY-GFCCVEGCSA-N 1 2 334.376 2.796 20 5 EFBDLO CC[C@@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000072684668 276601122 /nfs/dbraw/zinc/60/11/22/276601122.db2.gz OWJBSMLNIZJZJM-OAHLLOKOSA-N 1 2 334.401 2.905 20 5 EFBDLO COC(=O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000413255805 277397817 /nfs/dbraw/zinc/39/78/17/277397817.db2.gz AOFXVMOREDOCDM-RISCZKNCSA-N 1 2 329.356 2.778 20 5 EFBDLO COc1ccnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000424311306 277473947 /nfs/dbraw/zinc/47/39/47/277473947.db2.gz UTRNRNFLTAJFRJ-AWEZNQCLSA-N 1 2 328.372 2.906 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000353595041 278031985 /nfs/dbraw/zinc/03/19/85/278031985.db2.gz HLCNSJXSPDOGKU-CYBMUJFWSA-N 1 2 328.372 2.660 20 5 EFBDLO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000345603237 278326490 /nfs/dbraw/zinc/32/64/90/278326490.db2.gz QZVSQMCVEJELOV-IAQYHMDHSA-N 1 2 343.387 2.840 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000364901977 279194879 /nfs/dbraw/zinc/19/48/79/279194879.db2.gz ALZSQRXRHYGYOD-IINYFYTJSA-N 1 2 332.335 2.924 20 5 EFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349338 279388605 /nfs/dbraw/zinc/38/86/05/279388605.db2.gz URZFQXMKPVLEJQ-GFCCVEGCSA-N 1 2 341.346 2.915 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352627565 280399545 /nfs/dbraw/zinc/39/95/45/280399545.db2.gz HQFHQPCMHZZPPA-CABCVRRESA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352627565 280399547 /nfs/dbraw/zinc/39/95/47/280399547.db2.gz HQFHQPCMHZZPPA-CABCVRRESA-N 1 2 337.395 2.955 20 5 EFBDLO Nc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc(F)cc1[N+](=O)[O-] ZINC000058383697 292667640 /nfs/dbraw/zinc/66/76/40/292667640.db2.gz LLHDXQOPGUXRRD-UHFFFAOYSA-N 1 2 341.302 2.754 20 5 EFBDLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000419002912 288974565 /nfs/dbraw/zinc/97/45/65/288974565.db2.gz CPTDIAFSNBAJTQ-QLFBSQMISA-N 1 2 333.432 2.908 20 5 EFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193500954 290284391 /nfs/dbraw/zinc/28/43/91/290284391.db2.gz PULOFDWUSVIQNT-LLVKDONJSA-N 1 2 333.417 2.517 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(C1CC1)C1CC1 ZINC000130114270 293155128 /nfs/dbraw/zinc/15/51/28/293155128.db2.gz RGXANRABPJHWNC-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(C1CC1)C1CC1 ZINC000130114270 293155130 /nfs/dbraw/zinc/15/51/30/293155130.db2.gz RGXANRABPJHWNC-UHFFFAOYSA-N 1 2 343.427 2.864 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccnc1 ZINC000132479176 293228489 /nfs/dbraw/zinc/22/84/89/293228489.db2.gz PWKRCGMREQHNKJ-UHFFFAOYSA-N 1 2 325.328 2.672 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccnc1 ZINC000132479176 293228494 /nfs/dbraw/zinc/22/84/94/293228494.db2.gz PWKRCGMREQHNKJ-UHFFFAOYSA-N 1 2 325.328 2.672 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153273742 293368426 /nfs/dbraw/zinc/36/84/26/293368426.db2.gz HWQCUJUXKZZTLC-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153273742 293368429 /nfs/dbraw/zinc/36/84/29/293368429.db2.gz HWQCUJUXKZZTLC-UHFFFAOYSA-N 1 2 345.321 2.580 20 5 EFBDLO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290111425 294002157 /nfs/dbraw/zinc/00/21/57/294002157.db2.gz XTMDDXJFLFWLEP-UHFFFAOYSA-N 1 2 334.203 2.860 20 5 EFBDLO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290111425 294002154 /nfs/dbraw/zinc/00/21/54/294002154.db2.gz XTMDDXJFLFWLEP-UHFFFAOYSA-N 1 2 334.203 2.860 20 5 EFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000290469700 294095369 /nfs/dbraw/zinc/09/53/69/294095369.db2.gz GMMWVAJHWYZLNG-ZDUSSCGKSA-N 1 2 343.387 2.528 20 5 EFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000290796909 294188097 /nfs/dbraw/zinc/18/80/97/294188097.db2.gz DQPPEEDVTFMFJP-UHFFFAOYSA-N 1 2 342.186 2.729 20 5 EFBDLO CC(C)[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000291048760 294258591 /nfs/dbraw/zinc/25/85/91/294258591.db2.gz DLRGZKPCAFZTJK-JTQLQIEISA-N 1 2 344.418 2.592 20 5 EFBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192581 295128902 /nfs/dbraw/zinc/12/89/02/295128902.db2.gz NVCIAIXFJDQIFG-SMDDNHRTSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000340192581 295128905 /nfs/dbraw/zinc/12/89/05/295128905.db2.gz NVCIAIXFJDQIFG-SMDDNHRTSA-N 1 2 348.321 2.881 20 5 EFBDLO CC(C)(CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[N+](=O)[O-] ZINC000294573166 295188035 /nfs/dbraw/zinc/18/80/35/295188035.db2.gz PHENQTDUEXBINC-UHFFFAOYSA-N 1 2 346.387 2.736 20 5 EFBDLO CC1CCN(c2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]2)CC1 ZINC000294639686 295199086 /nfs/dbraw/zinc/19/90/86/295199086.db2.gz XTCKSICQYIVRON-UHFFFAOYSA-N 1 2 348.447 2.770 20 5 EFBDLO CCn1c2ccccc2[nH+]c1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000294796743 295229401 /nfs/dbraw/zinc/22/94/01/295229401.db2.gz BWYZRFOFIBHDTN-UHFFFAOYSA-N 1 2 326.360 2.717 20 5 EFBDLO Cc1ccc[nH+]c1CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000294929523 295246982 /nfs/dbraw/zinc/24/69/82/295246982.db2.gz HGUVLGQYKBLUIP-UHFFFAOYSA-N 1 2 349.412 2.746 20 5 EFBDLO CC(C)(CCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)[N+](=O)[O-] ZINC000295200872 295281430 /nfs/dbraw/zinc/28/14/30/295281430.db2.gz WAPHVLFIWLFGLO-UHFFFAOYSA-N 1 2 334.351 2.918 20 5 EFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC000295225079 295284621 /nfs/dbraw/zinc/28/46/21/295284621.db2.gz YFXCYMVKJSWCIG-UHFFFAOYSA-N 1 2 339.367 2.614 20 5 EFBDLO C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1c(F)cccc1F ZINC000295297346 295295550 /nfs/dbraw/zinc/29/55/50/295295550.db2.gz QSTWDHBIWIWHSH-ZDUSSCGKSA-N 1 2 343.374 2.519 20 5 EFBDLO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1c(F)cccc1F ZINC000295297343 295295669 /nfs/dbraw/zinc/29/56/69/295295669.db2.gz QSTWDHBIWIWHSH-CYBMUJFWSA-N 1 2 343.374 2.519 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295378633 295310490 /nfs/dbraw/zinc/31/04/90/295310490.db2.gz DPJYQRQWFKATFJ-INIZCTEOSA-N 1 2 342.399 2.871 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000295587847 295345459 /nfs/dbraw/zinc/34/54/59/295345459.db2.gz HNBBTOZQCNFKHN-UHFFFAOYSA-N 1 2 342.277 2.760 20 5 EFBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295727950 295367025 /nfs/dbraw/zinc/36/70/25/295367025.db2.gz RDUPALBCYXYMQP-UHFFFAOYSA-N 1 2 342.277 2.760 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000296379957 295467180 /nfs/dbraw/zinc/46/71/80/295467180.db2.gz UBGYKSOVWCIHPF-CYBMUJFWSA-N 1 2 331.332 2.824 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120730424 295476276 /nfs/dbraw/zinc/47/62/76/295476276.db2.gz ZPGRZHFXWAYURB-OAHLLOKOSA-N 1 2 343.387 2.874 20 5 EFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc(N2CCCC2)n1 ZINC000430115217 301278158 /nfs/dbraw/zinc/27/81/58/301278158.db2.gz FYLYNPHSTDPOCG-UHFFFAOYSA-N 1 2 345.378 2.722 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000180129432 310795397 /nfs/dbraw/zinc/79/53/97/310795397.db2.gz SJHPGJVEIZKONY-UHFFFAOYSA-N 1 2 334.401 2.722 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296452892 310821512 /nfs/dbraw/zinc/82/15/12/310821512.db2.gz ZHBAGMPYEFOPKJ-AWEZNQCLSA-N 1 2 328.372 2.860 20 5 EFBDLO CC1(C)C[C@@H]([NH2+][C@@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631518 310832460 /nfs/dbraw/zinc/83/24/60/310832460.db2.gz BJYMSZAUOGWISG-HZPDHXFCSA-N 1 2 340.383 2.528 20 5 EFBDLO CC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000298038671 310951146 /nfs/dbraw/zinc/95/11/46/310951146.db2.gz GZVQEIMCJWXUNV-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO CC(=O)c1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298065695 310954015 /nfs/dbraw/zinc/95/40/15/310954015.db2.gz KPFVXFZACDVCDZ-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000298645568 311010848 /nfs/dbraw/zinc/01/08/48/311010848.db2.gz FSIBCBHJHFEOQV-UHFFFAOYSA-N 1 2 340.383 2.910 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000298650379 311011051 /nfs/dbraw/zinc/01/10/51/311011051.db2.gz OJNBQZKXZJJUTA-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000298685672 311014274 /nfs/dbraw/zinc/01/42/74/311014274.db2.gz BLFTWFWGYZMAFQ-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000298685672 311014275 /nfs/dbraw/zinc/01/42/75/311014275.db2.gz BLFTWFWGYZMAFQ-UHFFFAOYSA-N 1 2 326.303 2.697 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707183 311016441 /nfs/dbraw/zinc/01/64/41/311016441.db2.gz ABQFXXMUUHYWNW-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298707183 311016442 /nfs/dbraw/zinc/01/64/42/311016442.db2.gz ABQFXXMUUHYWNW-YPMHNXCESA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000299026565 311043158 /nfs/dbraw/zinc/04/31/58/311043158.db2.gz HDRCGIIBEQBGIR-LBPRGKRZSA-N 1 2 349.822 2.865 20 5 EFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCCO1 ZINC000299069948 311047560 /nfs/dbraw/zinc/04/75/60/311047560.db2.gz UXRXGMVTXZNCPU-AWEZNQCLSA-N 1 2 332.360 2.646 20 5 EFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCCO1 ZINC000299069948 311047561 /nfs/dbraw/zinc/04/75/61/311047561.db2.gz UXRXGMVTXZNCPU-AWEZNQCLSA-N 1 2 332.360 2.646 20 5 EFBDLO Cc1cc(N2C[C@@H](C)OC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393521 311080211 /nfs/dbraw/zinc/08/02/11/311080211.db2.gz PGRYWQPJLRZALA-CHWSQXEVSA-N 1 2 328.372 2.974 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000299423857 311083389 /nfs/dbraw/zinc/08/33/89/311083389.db2.gz GHZKZBOXLCZCNW-UHFFFAOYSA-N 1 2 329.356 2.887 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299569152 311097796 /nfs/dbraw/zinc/09/77/96/311097796.db2.gz TWVOEHCTNHJARG-UHFFFAOYSA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1cc(N2CCOC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301093399 311118562 /nfs/dbraw/zinc/11/85/62/311118562.db2.gz IFFJZIBHWJRSPR-UHFFFAOYSA-N 1 2 328.372 2.975 20 5 EFBDLO CCc1cc(NCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301213230 311124624 /nfs/dbraw/zinc/12/46/24/311124624.db2.gz XEAWQZBPDCRLNU-UHFFFAOYSA-N 1 2 328.372 2.941 20 5 EFBDLO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000301256781 311127474 /nfs/dbraw/zinc/12/74/74/311127474.db2.gz DRGYULFRTVZUFI-LBPRGKRZSA-N 1 2 342.827 2.802 20 5 EFBDLO Cc1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000301442196 311137517 /nfs/dbraw/zinc/13/75/17/311137517.db2.gz MPQURIBHYKEWIO-UHFFFAOYSA-N 1 2 328.372 2.874 20 5 EFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c(C)[nH+]1 ZINC000301714213 311154138 /nfs/dbraw/zinc/15/41/38/311154138.db2.gz ZEOVJVOKMKJJHZ-UHFFFAOYSA-N 1 2 327.388 2.637 20 5 EFBDLO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+]1CCOCC1 ZINC000302136269 311179712 /nfs/dbraw/zinc/17/97/12/311179712.db2.gz BDHIBFGTTNCITQ-WDEREUQCSA-N 1 2 345.346 2.717 20 5 EFBDLO Cc1cccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000302469705 311190809 /nfs/dbraw/zinc/19/08/09/311190809.db2.gz CNFSEPGRVIWTPF-INIZCTEOSA-N 1 2 337.445 2.523 20 5 EFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000315028459 311234053 /nfs/dbraw/zinc/23/40/53/311234053.db2.gz WLNDCMYKSOJTTN-JTQLQIEISA-N 1 2 335.385 2.997 20 5 EFBDLO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330599890 311323702 /nfs/dbraw/zinc/32/37/02/311323702.db2.gz GQFXETBLKFJTOA-XJKCOSOUSA-N 1 2 335.404 2.667 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280578 311364411 /nfs/dbraw/zinc/36/44/11/311364411.db2.gz UGRSNZCERLVWCD-PWSUYJOCSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331280578 311364413 /nfs/dbraw/zinc/36/44/13/311364413.db2.gz UGRSNZCERLVWCD-PWSUYJOCSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331280576 311364613 /nfs/dbraw/zinc/36/46/13/311364613.db2.gz UGRSNZCERLVWCD-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331280576 311364614 /nfs/dbraw/zinc/36/46/14/311364614.db2.gz UGRSNZCERLVWCD-CMPLNLGQSA-N 1 2 341.795 2.686 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc3ncccn3n1)CCCC2 ZINC000417376531 312216276 /nfs/dbraw/zinc/21/62/76/312216276.db2.gz QZHCPKYSZUMFKI-OAHLLOKOSA-N 1 2 338.371 2.590 20 5 EFBDLO Cc1cc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420697136 312385114 /nfs/dbraw/zinc/38/51/14/312385114.db2.gz IMWASDRSPCIYLX-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO CCc1cc(NCC[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450567198 312709647 /nfs/dbraw/zinc/70/96/47/312709647.db2.gz QLIXWPRYLUEVEC-ZDUSSCGKSA-N 1 2 344.415 2.857 20 5 EFBDLO Cc1cc(NCC[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450569825 312710689 /nfs/dbraw/zinc/71/06/89/312710689.db2.gz VTAXVACIMHGQCS-LBPRGKRZSA-N 1 2 330.388 2.603 20 5 EFBDLO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2[nH+]ccn21 ZINC000450827081 312753492 /nfs/dbraw/zinc/75/34/92/312753492.db2.gz GXIBVHCWGOTZGH-NOZJJQNGSA-N 1 2 327.344 2.794 20 5 EFBDLO CCOC(=O)c1ccnc(N[C@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000450827188 312753732 /nfs/dbraw/zinc/75/37/32/312753732.db2.gz HKFQHJDBCDDUGA-SNVBAGLBSA-N 1 2 333.348 2.556 20 5 EFBDLO CC[C@H](O)[C@H](CC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450862538 312760939 /nfs/dbraw/zinc/76/09/39/312760939.db2.gz QYFXGDIOFMUOBY-GJZGRUSLSA-N 1 2 330.388 2.744 20 5 EFBDLO CC(C)c1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000453575647 312910842 /nfs/dbraw/zinc/91/08/42/312910842.db2.gz LBINIEXRDOTODO-UHFFFAOYSA-N 1 2 347.444 2.892 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000470180133 313129908 /nfs/dbraw/zinc/12/99/08/313129908.db2.gz IOKBTVHAAHUKKX-ZOHQOTHLSA-N 1 2 329.400 2.741 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000470180133 313129913 /nfs/dbraw/zinc/12/99/13/313129913.db2.gz IOKBTVHAAHUKKX-ZOHQOTHLSA-N 1 2 329.400 2.741 20 5 EFBDLO CC[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000488127116 313460696 /nfs/dbraw/zinc/46/06/96/313460696.db2.gz JQFGVOWCQJWBPB-GFCCVEGCSA-N 1 2 325.319 2.692 20 5 EFBDLO CCc1cc(NC[C@@H](O)[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488183857 313465383 /nfs/dbraw/zinc/46/53/83/313465383.db2.gz XRNIOSOQLRJOOQ-BLLLJJGKSA-N 1 2 344.415 2.855 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCc1cn2c([nH+]1)CCCC2 ZINC000491447690 313749213 /nfs/dbraw/zinc/74/92/13/313749213.db2.gz DPCDDILTVYIQGE-ALCCZGGFSA-N 1 2 344.346 2.596 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491935281 313817193 /nfs/dbraw/zinc/81/71/93/313817193.db2.gz GDQAPZDFSGBAQJ-XQRVVYSFSA-N 1 2 346.362 2.916 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000492112864 313877985 /nfs/dbraw/zinc/87/79/85/313877985.db2.gz OHMCVWQVWHUVBB-RQOWECAXSA-N 1 2 340.314 2.711 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000492241170 313921064 /nfs/dbraw/zinc/92/10/64/313921064.db2.gz ZXDHPQGMLBEUGM-WUKHSURWSA-N 1 2 340.383 2.807 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799323 314130210 /nfs/dbraw/zinc/13/02/10/314130210.db2.gz LPMWSVVAWSNTAI-QWGSZXSUSA-N 1 2 326.356 2.609 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000492805392 314132255 /nfs/dbraw/zinc/13/22/55/314132255.db2.gz YUMVURQDCDPWJX-HYXAFXHYSA-N 1 2 347.758 2.981 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000492805391 314132303 /nfs/dbraw/zinc/13/23/03/314132303.db2.gz YUMVURQDCDPWJX-HWKANZROSA-N 1 2 347.758 2.981 20 5 EFBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000492990565 314203384 /nfs/dbraw/zinc/20/33/84/314203384.db2.gz QBNBEWRUPQMLOG-ALCCZGGFSA-N 1 2 330.319 2.919 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493029586 314217032 /nfs/dbraw/zinc/21/70/32/314217032.db2.gz WHVJNRIJSBQILL-WAVCKPEOSA-N 1 2 340.383 2.951 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493084649 314235105 /nfs/dbraw/zinc/23/51/05/314235105.db2.gz NPBDRRXNXZBHQO-KTKRTIGZSA-N 1 2 340.383 2.799 20 5 EFBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493224118 314282890 /nfs/dbraw/zinc/28/28/90/314282890.db2.gz SCICMWGBPFHXTR-LHRNQBEKSA-N 1 2 326.356 2.737 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493295488 314307662 /nfs/dbraw/zinc/30/76/62/314307662.db2.gz PKFZOAKLYCNLQA-MDZDMXLPSA-N 1 2 328.372 2.876 20 5 EFBDLO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000507452243 315485392 /nfs/dbraw/zinc/48/53/92/315485392.db2.gz URMSTDFJQDJZFJ-STQMWFEESA-N 1 2 349.431 2.787 20 5 EFBDLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000515511286 315624073 /nfs/dbraw/zinc/62/40/73/315624073.db2.gz VKQYBJUWMOKMKV-ZDUSSCGKSA-N 1 2 331.376 2.632 20 5 EFBDLO CC(C)Oc1nc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000516583708 315688476 /nfs/dbraw/zinc/68/84/76/315688476.db2.gz IERSRJVKOPJPPA-UHFFFAOYSA-N 1 2 331.376 2.815 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc2n1C ZINC000530675673 317163676 /nfs/dbraw/zinc/16/36/76/317163676.db2.gz QVLVUVAIEGRZRO-UHFFFAOYSA-N 1 2 325.328 2.624 20 5 EFBDLO CC[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000555244991 318350439 /nfs/dbraw/zinc/35/04/39/318350439.db2.gz WISHSTRVDCAVFE-SNVBAGLBSA-N 1 2 343.225 2.591 20 5 EFBDLO CC[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000555244991 318350441 /nfs/dbraw/zinc/35/04/41/318350441.db2.gz WISHSTRVDCAVFE-SNVBAGLBSA-N 1 2 343.225 2.591 20 5 EFBDLO Cc1n[nH]cc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000556522192 318392384 /nfs/dbraw/zinc/39/23/84/318392384.db2.gz XMFCFMWSNWQTLE-UHFFFAOYSA-N 1 2 340.387 2.882 20 5 EFBDLO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558495903 318472085 /nfs/dbraw/zinc/47/20/85/318472085.db2.gz JOQFSQORWBUACR-OAHLLOKOSA-N 1 2 339.355 2.518 20 5 EFBDLO CCCc1nc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000565340459 318959582 /nfs/dbraw/zinc/95/95/82/318959582.db2.gz ZQRXXTNBBLMTGR-UHFFFAOYSA-N 1 2 345.403 2.561 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565601394 318986442 /nfs/dbraw/zinc/98/64/42/318986442.db2.gz XDJRXZCNLGNOBN-UONOGXRCSA-N 1 2 328.372 2.781 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000566248212 319052121 /nfs/dbraw/zinc/05/21/21/319052121.db2.gz VFNHUUODIXJBNB-GFCCVEGCSA-N 1 2 336.388 2.755 20 5 EFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000566248212 319052124 /nfs/dbraw/zinc/05/21/24/319052124.db2.gz VFNHUUODIXJBNB-GFCCVEGCSA-N 1 2 336.388 2.755 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916275 319330207 /nfs/dbraw/zinc/33/02/07/319330207.db2.gz KMDZKKFAWFCFPC-DOMZBBRYSA-N 1 2 346.387 2.911 20 5 EFBDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916275 319330210 /nfs/dbraw/zinc/33/02/10/319330210.db2.gz KMDZKKFAWFCFPC-DOMZBBRYSA-N 1 2 346.387 2.911 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCC2)O1 ZINC000569481624 319385268 /nfs/dbraw/zinc/38/52/68/319385268.db2.gz MOJHLIXOWYKQSL-GFCCVEGCSA-N 1 2 334.372 2.605 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCC2)O1 ZINC000569481624 319385271 /nfs/dbraw/zinc/38/52/71/319385271.db2.gz MOJHLIXOWYKQSL-GFCCVEGCSA-N 1 2 334.372 2.605 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573689872 319789781 /nfs/dbraw/zinc/78/97/81/319789781.db2.gz RJGKKYRRLVCRMJ-ZDUSSCGKSA-N 1 2 330.388 2.938 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000578195972 320182923 /nfs/dbraw/zinc/18/29/23/320182923.db2.gz TXPGPPFPRQEVLX-TZMCWYRMSA-N 1 2 328.372 2.540 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC[C@@H]3C3CCC3)n2)cc1 ZINC000578504225 320212372 /nfs/dbraw/zinc/21/23/72/320212372.db2.gz ZLFPAUJFPGFYAN-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC[C@@H]3C3CCC3)n2)cc1 ZINC000578504225 320212373 /nfs/dbraw/zinc/21/23/73/320212373.db2.gz ZLFPAUJFPGFYAN-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000026194394 323212918 /nfs/dbraw/zinc/21/29/18/323212918.db2.gz MKISONOMEYDBTO-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000026194394 323212919 /nfs/dbraw/zinc/21/29/19/323212919.db2.gz MKISONOMEYDBTO-UHFFFAOYSA-N 1 2 343.358 2.755 20 5 EFBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000181023084 323225184 /nfs/dbraw/zinc/22/51/84/323225184.db2.gz QZCXICVMWXHDMU-UHFFFAOYSA-N 1 2 328.368 2.813 20 5 EFBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000181023084 323225186 /nfs/dbraw/zinc/22/51/86/323225186.db2.gz QZCXICVMWXHDMU-UHFFFAOYSA-N 1 2 328.368 2.813 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000181327706 323232291 /nfs/dbraw/zinc/23/22/91/323232291.db2.gz OOZLYUZKCRVWSS-UHFFFAOYSA-N 1 2 334.401 2.791 20 5 EFBDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000182881047 323305985 /nfs/dbraw/zinc/30/59/85/323305985.db2.gz FZBJPZBUASFLQX-ZDUSSCGKSA-N 1 2 328.372 3.000 20 5 EFBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184579999 323369319 /nfs/dbraw/zinc/36/93/19/323369319.db2.gz IGXOSKLBOVDWAB-OCCSQVGLSA-N 1 2 347.371 2.801 20 5 EFBDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000296544771 323550159 /nfs/dbraw/zinc/55/01/59/323550159.db2.gz FNQKAXNVIXKVJS-VIFPVBQESA-N 1 2 339.193 2.942 20 5 EFBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161083256 473205056 /nfs/dbraw/zinc/20/50/56/473205056.db2.gz KITJBZMXWMZHKU-CYBMUJFWSA-N 1 2 328.372 2.839 20 5 EFBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161083256 473205061 /nfs/dbraw/zinc/20/50/61/473205061.db2.gz KITJBZMXWMZHKU-CYBMUJFWSA-N 1 2 328.372 2.839 20 5 EFBDLO CC(C)c1nc(N(C)C)nc(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000502375589 467937929 /nfs/dbraw/zinc/93/79/29/467937929.db2.gz BZBBZIKCZODKBN-UHFFFAOYSA-N 1 2 330.392 2.624 20 5 EFBDLO CC(C)c1nc(NCCc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000502375589 467937931 /nfs/dbraw/zinc/93/79/31/467937931.db2.gz BZBBZIKCZODKBN-UHFFFAOYSA-N 1 2 330.392 2.624 20 5 EFBDLO C[NH+]1CCN(CCCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000518689674 468123274 /nfs/dbraw/zinc/12/32/74/468123274.db2.gz RUKHZWFPKXEWTI-UHFFFAOYSA-N 1 2 343.431 2.583 20 5 EFBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124766595 473300374 /nfs/dbraw/zinc/30/03/74/473300374.db2.gz PLNQZZYYKCNLCI-OAHLLOKOSA-N 1 2 330.340 2.992 20 5 EFBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124766595 473300381 /nfs/dbraw/zinc/30/03/81/473300381.db2.gz PLNQZZYYKCNLCI-OAHLLOKOSA-N 1 2 330.340 2.992 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190524939 473306851 /nfs/dbraw/zinc/30/68/51/473306851.db2.gz NAAITAJEIIWSKN-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190531197 473307771 /nfs/dbraw/zinc/30/77/71/473307771.db2.gz VMZHJKGXNJUOAE-UHFFFAOYSA-N 1 2 335.404 2.731 20 5 EFBDLO CN(C(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000124926267 473327666 /nfs/dbraw/zinc/32/76/66/473327666.db2.gz NOBHYCIJNPJQFV-UHFFFAOYSA-N 1 2 340.383 2.617 20 5 EFBDLO CN(C(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000124926267 473327676 /nfs/dbraw/zinc/32/76/76/473327676.db2.gz NOBHYCIJNPJQFV-UHFFFAOYSA-N 1 2 340.383 2.617 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083248045 473338247 /nfs/dbraw/zinc/33/82/47/473338247.db2.gz CCLZBIWZCVABPO-MRXNPFEDSA-N 1 2 349.431 2.979 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083248045 473338255 /nfs/dbraw/zinc/33/82/55/473338255.db2.gz CCLZBIWZCVABPO-MRXNPFEDSA-N 1 2 349.431 2.979 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000616204921 469397171 /nfs/dbraw/zinc/39/71/71/469397171.db2.gz QSTQXCPVYKONFB-UHFFFAOYSA-N 1 2 340.343 2.581 20 5 EFBDLO Cc1cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)ccc1[N+](=O)[O-] ZINC000083577522 473351540 /nfs/dbraw/zinc/35/15/40/473351540.db2.gz OKSZNIDEZNUOTF-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000083577520 473352442 /nfs/dbraw/zinc/35/24/42/473352442.db2.gz CSMXERPRUYIOQL-UHFFFAOYSA-N 1 2 346.368 2.591 20 5 EFBDLO CC(C)(NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000345812832 475472376 /nfs/dbraw/zinc/47/23/76/475472376.db2.gz ZKXOANRJKKTCRK-LLVKDONJSA-N 1 2 328.372 2.789 20 5 EFBDLO CC(C)(NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccccc1[N+](=O)[O-] ZINC000345812832 475472383 /nfs/dbraw/zinc/47/23/83/475472383.db2.gz ZKXOANRJKKTCRK-LLVKDONJSA-N 1 2 328.372 2.789 20 5 EFBDLO Cc1ccncc1CCC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459624432 478014623 /nfs/dbraw/zinc/01/46/23/478014623.db2.gz UWVYZRIASJGWAQ-UHFFFAOYSA-N 1 2 327.384 2.994 20 5 EFBDLO CCOc1cc(Oc2cc(-n3cc[nH+]c3)ncn2)ccc1[N+](=O)[O-] ZINC000616399774 479899591 /nfs/dbraw/zinc/89/95/91/479899591.db2.gz JQXDCCXVKRRVRI-UHFFFAOYSA-N 1 2 327.300 2.762 20 5 EFBDLO CCc1coc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000619879666 479901250 /nfs/dbraw/zinc/90/12/50/479901250.db2.gz ODWZATMJFVTBLQ-UHFFFAOYSA-N 1 2 327.300 2.583 20 5 EFBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000015143104 471892120 /nfs/dbraw/zinc/89/21/20/471892120.db2.gz YRKPZMKQQFURMR-INIZCTEOSA-N 1 2 342.399 2.784 20 5 EFBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015416795 471904597 /nfs/dbraw/zinc/90/45/97/471904597.db2.gz GNTNFAUTMMUDHR-LBPRGKRZSA-N 1 2 329.356 2.840 20 5 EFBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015416795 471904599 /nfs/dbraw/zinc/90/45/99/471904599.db2.gz GNTNFAUTMMUDHR-LBPRGKRZSA-N 1 2 329.356 2.840 20 5 EFBDLO COc1cccc([C@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000017591124 471963630 /nfs/dbraw/zinc/96/36/30/471963630.db2.gz RXPUMKIBHXDDBV-HNNXBMFYSA-N 1 2 339.355 2.933 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000018232272 471973588 /nfs/dbraw/zinc/97/35/88/471973588.db2.gz ZHLYUMAFHGREII-KRWDZBQOSA-N 1 2 325.368 2.724 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000018232272 471973592 /nfs/dbraw/zinc/97/35/92/471973592.db2.gz ZHLYUMAFHGREII-KRWDZBQOSA-N 1 2 325.368 2.724 20 5 EFBDLO Cc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000033229176 471979653 /nfs/dbraw/zinc/97/96/53/471979653.db2.gz ZQORJFUVZZQXIG-UHFFFAOYSA-N 1 2 329.341 2.798 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000067160132 472000480 /nfs/dbraw/zinc/00/04/80/472000480.db2.gz ODAPDQMMRBRZGG-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO C[N@H+](Cc1ccccc1F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374781 472025908 /nfs/dbraw/zinc/02/59/08/472025908.db2.gz OYRCMFSVOVQXBI-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374781 472025915 /nfs/dbraw/zinc/02/59/15/472025915.db2.gz OYRCMFSVOVQXBI-QGZVFWFLSA-N 1 2 343.358 2.971 20 5 EFBDLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000067437576 472035254 /nfs/dbraw/zinc/03/52/54/472035254.db2.gz ZQCLILXEEQZFSR-KRWDZBQOSA-N 1 2 325.368 2.704 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000023736155 472037504 /nfs/dbraw/zinc/03/75/04/472037504.db2.gz ZKEUVRHXRSCNRH-UHFFFAOYSA-N 1 2 345.424 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000024107991 472047572 /nfs/dbraw/zinc/04/75/72/472047572.db2.gz ZNSUHUVUJWFJTD-UHFFFAOYSA-N 1 2 340.427 2.825 20 5 EFBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000024770744 472067737 /nfs/dbraw/zinc/06/77/37/472067737.db2.gz GORKWZPUSALIKA-UHFFFAOYSA-N 1 2 331.347 2.829 20 5 EFBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000024770744 472067743 /nfs/dbraw/zinc/06/77/43/472067743.db2.gz GORKWZPUSALIKA-UHFFFAOYSA-N 1 2 331.347 2.829 20 5 EFBDLO O=C(CSc1[nH+]cc2ccccn21)Nc1ccccc1[N+](=O)[O-] ZINC000025136062 472081413 /nfs/dbraw/zinc/08/14/13/472081413.db2.gz KNDNTVBTCAASDZ-UHFFFAOYSA-N 1 2 328.353 2.973 20 5 EFBDLO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389389 472084145 /nfs/dbraw/zinc/08/41/45/472084145.db2.gz UXFCVIXVOXGZFJ-CHWSQXEVSA-N 1 2 328.372 2.974 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000041835444 472089525 /nfs/dbraw/zinc/08/95/25/472089525.db2.gz AIZYZUWVNPABKB-UHFFFAOYSA-N 1 2 330.388 2.898 20 5 EFBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025943686 472118756 /nfs/dbraw/zinc/11/87/56/472118756.db2.gz USLYETUVTRSOJB-UHFFFAOYSA-N 1 2 338.367 2.853 20 5 EFBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025943686 472118761 /nfs/dbraw/zinc/11/87/61/472118761.db2.gz USLYETUVTRSOJB-UHFFFAOYSA-N 1 2 338.367 2.853 20 5 EFBDLO CC(=O)c1ccc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000026145785 472124365 /nfs/dbraw/zinc/12/43/65/472124365.db2.gz OTVQSUOBTBWKEV-INIZCTEOSA-N 1 2 349.431 2.956 20 5 EFBDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000026166987 472125508 /nfs/dbraw/zinc/12/55/08/472125508.db2.gz ZKKNTKLXDSOBCZ-UHFFFAOYSA-N 1 2 346.431 2.755 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197919 472127329 /nfs/dbraw/zinc/12/73/29/472127329.db2.gz GAALDVUTTYIIMX-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000026197919 472127332 /nfs/dbraw/zinc/12/73/32/472127332.db2.gz GAALDVUTTYIIMX-DGCLKSJQSA-N 1 2 332.360 2.644 20 5 EFBDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348455 472132958 /nfs/dbraw/zinc/13/29/58/472132958.db2.gz SLQOUVQGTUBHHI-QGZVFWFLSA-N 1 2 327.384 2.856 20 5 EFBDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348455 472132963 /nfs/dbraw/zinc/13/29/63/472132963.db2.gz SLQOUVQGTUBHHI-QGZVFWFLSA-N 1 2 327.384 2.856 20 5 EFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348876 472133179 /nfs/dbraw/zinc/13/31/79/472133179.db2.gz BXGGVLCTGZMNRP-CYBMUJFWSA-N 1 2 345.374 2.871 20 5 EFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348876 472133183 /nfs/dbraw/zinc/13/31/83/472133183.db2.gz BXGGVLCTGZMNRP-CYBMUJFWSA-N 1 2 345.374 2.871 20 5 EFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000055086035 472139202 /nfs/dbraw/zinc/13/92/02/472139202.db2.gz YUASQFUPRRPCLW-UHFFFAOYSA-N 1 2 345.403 2.802 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533788 472152005 /nfs/dbraw/zinc/15/20/05/472152005.db2.gz UYGAJKOSDCZUCM-DIECRNLCSA-N 1 2 344.346 2.876 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556580 472156662 /nfs/dbraw/zinc/15/66/62/472156662.db2.gz QGYJTUQIMAJXSR-GFCCVEGCSA-N 1 2 346.412 2.816 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556577 472157149 /nfs/dbraw/zinc/15/71/49/472157149.db2.gz QGYJTUQIMAJXSR-LBPRGKRZSA-N 1 2 346.412 2.816 20 5 EFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000027334288 472171188 /nfs/dbraw/zinc/17/11/88/472171188.db2.gz MRWIJQXCPBUUNS-LLVKDONJSA-N 1 2 335.385 2.816 20 5 EFBDLO Cc1ccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000043147751 472205356 /nfs/dbraw/zinc/20/53/56/472205356.db2.gz CCUXQDUHSGGGMY-UHFFFAOYSA-N 1 2 329.360 2.686 20 5 EFBDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000076075288 472262058 /nfs/dbraw/zinc/26/20/58/472262058.db2.gz ABVVDVZECZNUPH-TZMCWYRMSA-N 1 2 343.387 2.968 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000029585916 472282180 /nfs/dbraw/zinc/28/21/80/472282180.db2.gz SJADFUSEUWUELY-UHFFFAOYSA-N 1 2 334.351 2.661 20 5 EFBDLO COc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000613379046 479981313 /nfs/dbraw/zinc/98/13/13/479981313.db2.gz XWJLKJRVSZFOFN-ZDUSSCGKSA-N 1 2 334.351 2.776 20 5 EFBDLO COc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000613379046 479981319 /nfs/dbraw/zinc/98/13/19/479981319.db2.gz XWJLKJRVSZFOFN-ZDUSSCGKSA-N 1 2 334.351 2.776 20 5 EFBDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606897 472377519 /nfs/dbraw/zinc/37/75/19/472377519.db2.gz PWQCOHLYOASRBB-AWEZNQCLSA-N 1 2 331.416 2.600 20 5 EFBDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606897 472377523 /nfs/dbraw/zinc/37/75/23/472377523.db2.gz PWQCOHLYOASRBB-AWEZNQCLSA-N 1 2 331.416 2.600 20 5 EFBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605830 472378206 /nfs/dbraw/zinc/37/82/06/472378206.db2.gz DLRWVYAGSLEKHW-DYVFJYSZSA-N 1 2 331.416 2.648 20 5 EFBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605830 472378211 /nfs/dbraw/zinc/37/82/11/472378211.db2.gz DLRWVYAGSLEKHW-DYVFJYSZSA-N 1 2 331.416 2.648 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000069654330 472390555 /nfs/dbraw/zinc/39/05/55/472390555.db2.gz SJDSPKRQYOMIEC-UHFFFAOYSA-N 1 2 349.368 2.981 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000057255145 472405325 /nfs/dbraw/zinc/40/53/25/472405325.db2.gz WMUPJXHAGUUNAJ-DAXSKMNVSA-N 1 2 336.351 2.881 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ncccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000076805275 472407081 /nfs/dbraw/zinc/40/70/81/472407081.db2.gz NXJWGFTWRWMJTC-TXEJJXNPSA-N 1 2 329.360 2.742 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128173353 472412030 /nfs/dbraw/zinc/41/20/30/472412030.db2.gz PSIJGGSDIWDXSX-INIZCTEOSA-N 1 2 343.383 2.777 20 5 EFBDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128173353 472412035 /nfs/dbraw/zinc/41/20/35/472412035.db2.gz PSIJGGSDIWDXSX-INIZCTEOSA-N 1 2 343.383 2.777 20 5 EFBDLO COC(=O)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC000154316224 472416153 /nfs/dbraw/zinc/41/61/53/472416153.db2.gz VKNSVOMOLGOWQI-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO COC(=O)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC000154316224 472416160 /nfs/dbraw/zinc/41/61/60/472416160.db2.gz VKNSVOMOLGOWQI-UHFFFAOYSA-N 1 2 329.356 2.874 20 5 EFBDLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057398791 472427651 /nfs/dbraw/zinc/42/76/51/472427651.db2.gz OFJHUCQTTURGHO-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO O=C(C[N@H+]1CCc2sccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057398791 472427652 /nfs/dbraw/zinc/42/76/52/472427652.db2.gz OFJHUCQTTURGHO-UHFFFAOYSA-N 1 2 343.408 2.604 20 5 EFBDLO COc1ccc(-c2ccc(C[NH+]3CCN(C)CC3)o2)c([N+](=O)[O-])c1 ZINC000154401082 472428285 /nfs/dbraw/zinc/42/82/85/472428285.db2.gz AXYXHXVDDGWYDF-UHFFFAOYSA-N 1 2 331.372 2.611 20 5 EFBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000128294092 472431994 /nfs/dbraw/zinc/43/19/94/472431994.db2.gz YXNMOGGEPMQYSU-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000128294092 472432002 /nfs/dbraw/zinc/43/20/02/472432002.db2.gz YXNMOGGEPMQYSU-GFCCVEGCSA-N 1 2 347.337 2.542 20 5 EFBDLO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000128485130 472458474 /nfs/dbraw/zinc/45/84/74/472458474.db2.gz BGLCOGLFNCWSRD-MLGOLLRUSA-N 1 2 346.362 2.583 20 5 EFBDLO O=C(OC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070668413 472501387 /nfs/dbraw/zinc/50/13/87/472501387.db2.gz DEWCBKKTTSXPSW-CYBMUJFWSA-N 1 2 331.328 2.506 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000058267524 472529792 /nfs/dbraw/zinc/52/97/92/472529792.db2.gz PIFZXIRJQRRKHS-LSDHHAIUSA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000058267524 472529797 /nfs/dbraw/zinc/52/97/97/472529797.db2.gz PIFZXIRJQRRKHS-LSDHHAIUSA-N 1 2 344.371 2.788 20 5 EFBDLO COC(=O)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000119145897 472531616 /nfs/dbraw/zinc/53/16/16/472531616.db2.gz OZZOHRLCVRVXSE-INIZCTEOSA-N 1 2 347.371 2.580 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119347781 472549211 /nfs/dbraw/zinc/54/92/11/472549211.db2.gz LIAKUMGKEGKFLO-SNVBAGLBSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119347781 472549214 /nfs/dbraw/zinc/54/92/14/472549214.db2.gz LIAKUMGKEGKFLO-SNVBAGLBSA-N 1 2 344.820 2.729 20 5 EFBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccoc1 ZINC000102409404 472576720 /nfs/dbraw/zinc/57/67/20/472576720.db2.gz XJDYCEPMMOAGAN-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccoc1 ZINC000102409404 472576728 /nfs/dbraw/zinc/57/67/28/472576728.db2.gz XJDYCEPMMOAGAN-UHFFFAOYSA-N 1 2 333.344 2.657 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000058957657 472616715 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2.656 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157700499 472849287 /nfs/dbraw/zinc/84/92/87/472849287.db2.gz QQVKJMVITIFGNJ-MOPGFXCFSA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157700499 472849295 /nfs/dbraw/zinc/84/92/95/472849295.db2.gz QQVKJMVITIFGNJ-MOPGFXCFSA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157700353 472849837 /nfs/dbraw/zinc/84/98/37/472849837.db2.gz QQVKJMVITIFGNJ-RTBURBONSA-N 1 2 342.395 2.919 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157700353 472849841 /nfs/dbraw/zinc/84/98/41/472849841.db2.gz QQVKJMVITIFGNJ-RTBURBONSA-N 1 2 342.395 2.919 20 5 EFBDLO CC(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000157916866 472873496 /nfs/dbraw/zinc/87/34/96/472873496.db2.gz AYDGNJIYALOBLN-UHFFFAOYSA-N 1 2 341.415 2.830 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC4(CCCC4)C3)n2)c1 ZINC000158015274 472883689 /nfs/dbraw/zinc/88/36/89/472883689.db2.gz DAWWHPQVHRNVFA-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC4(CCCC4)C3)n2)c1 ZINC000158015274 472883690 /nfs/dbraw/zinc/88/36/90/472883690.db2.gz DAWWHPQVHRNVFA-UHFFFAOYSA-N 1 2 344.371 2.790 20 5 EFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000134728204 472959758 /nfs/dbraw/zinc/95/97/58/472959758.db2.gz PUFRQNAMPJXZFD-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO CCOc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000049727825 472960744 /nfs/dbraw/zinc/96/07/44/472960744.db2.gz YYUAFAYKBHREQQ-UHFFFAOYSA-N 1 2 330.344 2.707 20 5 EFBDLO COC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065535427 472970308 /nfs/dbraw/zinc/97/03/08/472970308.db2.gz GSPVVVHJQJYDSS-UHFFFAOYSA-N 1 2 344.367 2.649 20 5 EFBDLO COC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065535427 472970313 /nfs/dbraw/zinc/97/03/13/472970313.db2.gz GSPVVVHJQJYDSS-UHFFFAOYSA-N 1 2 344.367 2.649 20 5 EFBDLO Cc1occc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065603095 472985905 /nfs/dbraw/zinc/98/59/05/472985905.db2.gz SYQUTGMCFGQYPN-UHFFFAOYSA-N 1 2 329.356 2.517 20 5 EFBDLO Cc1occc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065603095 472985911 /nfs/dbraw/zinc/98/59/11/472985911.db2.gz SYQUTGMCFGQYPN-UHFFFAOYSA-N 1 2 329.356 2.517 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000051129673 473027088 /nfs/dbraw/zinc/02/70/88/473027088.db2.gz IRPMWXHLPVZUCE-UHFFFAOYSA-N 1 2 347.440 2.853 20 5 EFBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000122597196 473035154 /nfs/dbraw/zinc/03/51/54/473035154.db2.gz GHVMUGBPIYOTBF-UHFFFAOYSA-N 1 2 335.751 2.618 20 5 EFBDLO Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000080552648 473046462 /nfs/dbraw/zinc/04/64/62/473046462.db2.gz WCXHFGBIISZPLF-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000080598483 473052518 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O=C(c1ccsc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052239711 473096301 /nfs/dbraw/zinc/09/63/01/473096301.db2.gz XXTYLXUTSVQYEF-UHFFFAOYSA-N 1 2 331.397 2.614 20 5 EFBDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135673353 473105139 /nfs/dbraw/zinc/10/51/39/473105139.db2.gz AMONAIBEXMFIOF-SUMWQHHRSA-N 1 2 335.404 2.731 20 5 EFBDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135673353 473105146 /nfs/dbraw/zinc/10/51/46/473105146.db2.gz AMONAIBEXMFIOF-SUMWQHHRSA-N 1 2 335.404 2.731 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066565903 473114156 /nfs/dbraw/zinc/11/41/56/473114156.db2.gz XERRKYBBUVYNAM-LLVKDONJSA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066565903 473114161 /nfs/dbraw/zinc/11/41/61/473114161.db2.gz XERRKYBBUVYNAM-LLVKDONJSA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncsc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066566153 473114678 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C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000123451394 473142361 /nfs/dbraw/zinc/14/23/61/473142361.db2.gz XPLYHZPBIQYWAG-NSHDSACASA-N 1 2 331.397 2.644 20 5 EFBDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000123451394 473142367 /nfs/dbraw/zinc/14/23/67/473142367.db2.gz XPLYHZPBIQYWAG-NSHDSACASA-N 1 2 331.397 2.644 20 5 EFBDLO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000052832767 473151608 /nfs/dbraw/zinc/15/16/08/473151608.db2.gz PYKFHUSROVFHHR-UHFFFAOYSA-N 1 2 342.399 2.863 20 5 EFBDLO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000052832767 473151611 /nfs/dbraw/zinc/15/16/11/473151611.db2.gz PYKFHUSROVFHHR-UHFFFAOYSA-N 1 2 342.399 2.863 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123582139 473160671 /nfs/dbraw/zinc/16/06/71/473160671.db2.gz PXVUVZULBUOCOU-LBPRGKRZSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123582139 473160674 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EFBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185618600 473469488 /nfs/dbraw/zinc/46/94/88/473469488.db2.gz BJWFZXGGEPKAOL-UHFFFAOYSA-N 1 2 344.352 2.647 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114491422 473476267 /nfs/dbraw/zinc/47/62/67/473476267.db2.gz QDCYQJQVKPLMGC-UHFFFAOYSA-N 1 2 335.301 2.613 20 5 EFBDLO CC(C)c1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000126093655 473487808 /nfs/dbraw/zinc/48/78/08/473487808.db2.gz LJPSWSAMPOBWIV-UHFFFAOYSA-N 1 2 343.431 2.774 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000165166763 473508050 /nfs/dbraw/zinc/50/80/50/473508050.db2.gz NUNHPLHITVKFHU-LBPRGKRZSA-N 1 2 348.428 2.969 20 5 EFBDLO O=C(NC1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000185780464 473512945 /nfs/dbraw/zinc/51/29/45/473512945.db2.gz IAWDFOSEDKYRPR-UHFFFAOYSA-N 1 2 348.362 2.678 20 5 EFBDLO CC(C)c1ccnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000185829747 473525891 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20 5 EFBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000127678103 473639993 /nfs/dbraw/zinc/63/99/93/473639993.db2.gz NGIBCMNHDFHONU-ZDUSSCGKSA-N 1 2 328.372 2.646 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280116 473645650 /nfs/dbraw/zinc/64/56/50/473645650.db2.gz XTLWBNVIODAEMV-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280116 473645656 /nfs/dbraw/zinc/64/56/56/473645656.db2.gz XTLWBNVIODAEMV-AWEZNQCLSA-N 1 2 337.807 2.835 20 5 EFBDLO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000127826843 473654204 /nfs/dbraw/zinc/65/42/04/473654204.db2.gz WMZBLYAOSOFAAY-SWLSCSKDSA-N 1 2 329.360 2.906 20 5 EFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192259894 473659038 /nfs/dbraw/zinc/65/90/38/473659038.db2.gz NSCVPTPOAYOJSG-UHFFFAOYSA-N 1 2 330.388 2.906 20 5 EFBDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179333204 473675564 /nfs/dbraw/zinc/67/55/64/473675564.db2.gz TYGIOUIRZFSZCQ-CQSZACIVSA-N 1 2 328.796 2.876 20 5 EFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179333204 473675568 /nfs/dbraw/zinc/67/55/68/473675568.db2.gz TYGIOUIRZFSZCQ-CQSZACIVSA-N 1 2 328.796 2.876 20 5 EFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186477289 473679796 /nfs/dbraw/zinc/67/97/96/473679796.db2.gz OIONZOXLYMBHHJ-SJCJKPOMSA-N 1 2 343.383 2.722 20 5 EFBDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1O ZINC000179590022 473697298 /nfs/dbraw/zinc/69/72/98/473697298.db2.gz LNXABPHKSMOMFQ-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281443143 473722590 /nfs/dbraw/zinc/72/25/90/473722590.db2.gz QCQICJPUUCDJSF-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281443143 473722596 /nfs/dbraw/zinc/72/25/96/473722596.db2.gz QCQICJPUUCDJSF-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245656709 473733696 /nfs/dbraw/zinc/73/36/96/473733696.db2.gz DUGHJKPJOAILMO-NSHDSACASA-N 1 2 331.338 2.972 20 5 EFBDLO Cc1c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245656709 473733703 /nfs/dbraw/zinc/73/37/03/473733703.db2.gz DUGHJKPJOAILMO-NSHDSACASA-N 1 2 331.338 2.972 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000186787434 473756382 /nfs/dbraw/zinc/75/63/82/473756382.db2.gz IWHRXDZYGUPNCZ-UHFFFAOYSA-N 1 2 341.327 2.573 20 5 EFBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000193343789 473782038 /nfs/dbraw/zinc/78/20/38/473782038.db2.gz UREFWVVVGVZMDU-OAHLLOKOSA-N 1 2 328.372 2.975 20 5 EFBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576005 473783034 /nfs/dbraw/zinc/78/30/34/473783034.db2.gz PVLAEWDVGSVLDZ-AWEZNQCLSA-N 1 2 349.431 2.835 20 5 EFBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576005 473783042 /nfs/dbraw/zinc/78/30/42/473783042.db2.gz PVLAEWDVGSVLDZ-AWEZNQCLSA-N 1 2 349.431 2.835 20 5 EFBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269386151 473795597 /nfs/dbraw/zinc/79/55/97/473795597.db2.gz ZOBYOVILQCXFTQ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269386151 473795602 /nfs/dbraw/zinc/79/56/02/473795602.db2.gz ZOBYOVILQCXFTQ-UHFFFAOYSA-N 1 2 345.193 2.742 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000269657019 473852868 /nfs/dbraw/zinc/85/28/68/473852868.db2.gz OXQKAZOVFHMYPB-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000269657019 473852874 /nfs/dbraw/zinc/85/28/74/473852874.db2.gz OXQKAZOVFHMYPB-QZTJIDSGSA-N 1 2 346.358 2.841 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000288125544 473852966 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346.774 2.652 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000270053515 473969836 /nfs/dbraw/zinc/96/98/36/473969836.db2.gz MZFNOISNCQXXRN-ZDUSSCGKSA-N 1 2 340.387 2.655 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)o2)cc1 ZINC000195018498 473993568 /nfs/dbraw/zinc/99/35/68/473993568.db2.gz KFYWWFJEHBXDCH-SFHVURJKSA-N 1 2 344.367 2.846 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)o2)cc1 ZINC000195018498 473993576 /nfs/dbraw/zinc/99/35/76/473993576.db2.gz KFYWWFJEHBXDCH-SFHVURJKSA-N 1 2 344.367 2.846 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)o1 ZINC000195018552 473993591 /nfs/dbraw/zinc/99/35/91/473993591.db2.gz PBXLSWBDUBEVNV-GOSISDBHSA-N 1 2 344.367 2.846 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@]23CCOC3)o1 ZINC000195018552 473993598 /nfs/dbraw/zinc/99/35/98/473993598.db2.gz PBXLSWBDUBEVNV-GOSISDBHSA-N 1 2 344.367 2.846 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 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475149218 /nfs/dbraw/zinc/14/92/18/475149218.db2.gz AAJUNAQJISKSGB-UHFFFAOYSA-N 1 2 333.310 2.570 20 5 EFBDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292684062 475149225 /nfs/dbraw/zinc/14/92/25/475149225.db2.gz AAJUNAQJISKSGB-UHFFFAOYSA-N 1 2 333.310 2.570 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000292690059 475152630 /nfs/dbraw/zinc/15/26/30/475152630.db2.gz NLLZKIQNANVMJM-GFCCVEGCSA-N 1 2 344.371 2.867 20 5 EFBDLO Cc1cc(N2CC3(C2)CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292692025 475154832 /nfs/dbraw/zinc/15/48/32/475154832.db2.gz ABCIWIYHLPBHLP-UHFFFAOYSA-N 1 2 326.356 2.587 20 5 EFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292701492 475158699 /nfs/dbraw/zinc/15/86/99/475158699.db2.gz GROGKBFMCWFIPI-UHFFFAOYSA-N 1 2 342.277 2.619 20 5 EFBDLO CCc1nnc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1 ZINC000296112439 475199506 /nfs/dbraw/zinc/19/95/06/475199506.db2.gz SMFYIACTPKDAEO-UHFFFAOYSA-N 1 2 327.344 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ZINC000352406575 475263453 /nfs/dbraw/zinc/26/34/53/475263453.db2.gz ROICTVDABACUJC-HNNXBMFYSA-N 1 2 343.431 2.516 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CC(N)=O)c1ccccc1 ZINC000352407639 475265292 /nfs/dbraw/zinc/26/52/92/475265292.db2.gz REIDTLKLPFTAID-INIZCTEOSA-N 1 2 349.337 2.922 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CC(N)=O)c1ccccc1 ZINC000352407639 475265299 /nfs/dbraw/zinc/26/52/99/475265299.db2.gz REIDTLKLPFTAID-INIZCTEOSA-N 1 2 349.337 2.922 20 5 EFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CC(N)=O)c1ccccc1 ZINC000352407640 475266005 /nfs/dbraw/zinc/26/60/05/475266005.db2.gz REIDTLKLPFTAID-MRXNPFEDSA-N 1 2 349.337 2.922 20 5 EFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CC(N)=O)c1ccccc1 ZINC000352407640 475266015 /nfs/dbraw/zinc/26/60/15/475266015.db2.gz REIDTLKLPFTAID-MRXNPFEDSA-N 1 2 349.337 2.922 20 5 EFBDLO COCCc1noc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347363523 475266918 /nfs/dbraw/zinc/26/69/18/475266918.db2.gz 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C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000347376719 475278322 /nfs/dbraw/zinc/27/83/22/475278322.db2.gz OLDOLUPXCULKCI-RCBBPTIPSA-N 1 2 338.429 2.507 20 5 EFBDLO CCCCNc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(N)[nH+]1 ZINC000341767791 475286471 /nfs/dbraw/zinc/28/64/71/475286471.db2.gz DARZJLKRKHONSH-UHFFFAOYSA-N 1 2 330.392 2.646 20 5 EFBDLO CCCCNc1cc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]c(N)n1 ZINC000341767791 475286480 /nfs/dbraw/zinc/28/64/80/475286480.db2.gz DARZJLKRKHONSH-UHFFFAOYSA-N 1 2 330.392 2.646 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296375046 475288436 /nfs/dbraw/zinc/28/84/36/475288436.db2.gz RQLHZZQCKLRILJ-CYBMUJFWSA-N 1 2 329.360 2.943 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC000347403026 475298596 /nfs/dbraw/zinc/29/85/96/475298596.db2.gz HUHWYFOKFZMHSR-GFCCVEGCSA-N 1 2 336.355 2.624 20 5 EFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cccc(-c4[nH]cc[nH+]4)c3)c21 ZINC000347415162 475309310 /nfs/dbraw/zinc/30/93/10/475309310.db2.gz UNIGGRYVBQQWOJ-UHFFFAOYSA-N 1 2 346.350 2.962 20 5 EFBDLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000339572322 475316060 /nfs/dbraw/zinc/31/60/60/475316060.db2.gz QICUKBIOBVHIEU-UHFFFAOYSA-N 1 2 342.399 2.933 20 5 EFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347934708 475358689 /nfs/dbraw/zinc/35/86/89/475358689.db2.gz KPCLNUGZGPEJEA-ZDUSSCGKSA-N 1 2 325.328 2.777 20 5 EFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000352540591 475395228 /nfs/dbraw/zinc/39/52/28/475395228.db2.gz NBPYNTCENDUEAQ-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000352540591 475395234 /nfs/dbraw/zinc/39/52/34/475395234.db2.gz NBPYNTCENDUEAQ-UHFFFAOYSA-N 1 2 336.388 2.911 20 5 EFBDLO CCOC(=O)CCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339682857 475408170 /nfs/dbraw/zinc/40/81/70/475408170.db2.gz MBQAUDJVFVUHNX-UHFFFAOYSA-N 1 2 344.371 2.750 20 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/nfs/dbraw/zinc/43/46/30/475434630.db2.gz MSRLFZZIJMIALJ-AWEZNQCLSA-N 1 2 329.360 2.910 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000331873998 475442411 /nfs/dbraw/zinc/44/24/11/475442411.db2.gz HNDFQSTZWLZNMZ-INIZCTEOSA-N 1 2 347.415 2.733 20 5 EFBDLO CC(C)(NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000345783348 475446679 /nfs/dbraw/zinc/44/66/79/475446679.db2.gz CMARUJFSRGGQEP-UHFFFAOYSA-N 1 2 338.367 2.837 20 5 EFBDLO Cc1c(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000331889286 475447481 /nfs/dbraw/zinc/44/74/81/475447481.db2.gz JSVOAFOLJOESSE-UHFFFAOYSA-N 1 2 343.387 2.646 20 5 EFBDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331892686 475449107 /nfs/dbraw/zinc/44/91/07/475449107.db2.gz HVSHUKCLUZIUFC-NSHDSACASA-N 1 2 348.407 2.870 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](CC)CN1C(C)=O ZINC000352627568 475470196 /nfs/dbraw/zinc/47/01/96/475470196.db2.gz HQFHQPCMHZZPPA-LSDHHAIUSA-N 1 2 337.395 2.955 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](CC)CN1C(C)=O ZINC000352627568 475470203 /nfs/dbraw/zinc/47/02/03/475470203.db2.gz HQFHQPCMHZZPPA-LSDHHAIUSA-N 1 2 337.395 2.955 20 5 EFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361468177 475471837 /nfs/dbraw/zinc/47/18/37/475471837.db2.gz IJUQOIHCEAFNCE-MRXNPFEDSA-N 1 2 331.347 2.782 20 5 EFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361468177 475471843 /nfs/dbraw/zinc/47/18/43/475471843.db2.gz IJUQOIHCEAFNCE-MRXNPFEDSA-N 1 2 331.347 2.782 20 5 EFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCNc1cccc[nH+]1 ZINC000345857912 475512625 /nfs/dbraw/zinc/51/26/25/475512625.db2.gz WNXXEQNEGXUKEG-UHFFFAOYSA-N 1 2 348.334 2.830 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000354911931 475512939 /nfs/dbraw/zinc/51/29/39/475512939.db2.gz AVMZKBBZHWTPLF-QGZVFWFLSA-N 1 2 347.346 2.697 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1[nH+]ccn1CC(F)(F)F)CC2 ZINC000348256953 475533258 /nfs/dbraw/zinc/53/32/58/475533258.db2.gz YNKGDTIBWPXSQI-UHFFFAOYSA-N 1 2 326.278 2.916 20 5 EFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1csc([N+](=O)[O-])c1 ZINC000342063226 475541025 /nfs/dbraw/zinc/54/10/25/475541025.db2.gz KIHZDXGLSZWBTB-UHFFFAOYSA-N 1 2 328.353 2.976 20 5 EFBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)[NH+]1CCOCC1 ZINC000354985610 475578493 /nfs/dbraw/zinc/57/84/93/475578493.db2.gz ROESUAPGVUZRMM-LBPRGKRZSA-N 1 2 345.355 2.833 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332299762 475592636 /nfs/dbraw/zinc/59/26/36/475592636.db2.gz HCHOFOPCBRYZME-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@@H](C)C1 ZINC000332299762 475592645 /nfs/dbraw/zinc/59/26/45/475592645.db2.gz HCHOFOPCBRYZME-QWRGUYRKSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000332376395 475618118 /nfs/dbraw/zinc/61/81/18/475618118.db2.gz DNDDCBDAWVSMKQ-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332414452 475629714 /nfs/dbraw/zinc/62/97/14/475629714.db2.gz SYFGLIVMLAMZFT-VXGBXAGGSA-N 1 2 346.362 2.967 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332429417 475635118 /nfs/dbraw/zinc/63/51/18/475635118.db2.gz ZAAFOERWPRSEBX-UHFFFAOYSA-N 1 2 333.323 2.869 20 5 EFBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)cn1 ZINC000339959345 475641574 /nfs/dbraw/zinc/64/15/74/475641574.db2.gz XMMGWWNDUPICHC-MRXNPFEDSA-N 1 2 346.362 2.614 20 5 EFBDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000346549303 475650563 /nfs/dbraw/zinc/65/05/63/475650563.db2.gz JXTIDJVQVALWJK-WCQYABFASA-N 1 2 344.346 2.840 20 5 EFBDLO CCc1ccc([C@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346567898 475663535 /nfs/dbraw/zinc/66/35/35/475663535.db2.gz VQHQUXGVEDLOQN-FZKQIMNGSA-N 1 2 343.383 2.660 20 5 EFBDLO O=[N+]([O-])c1ccccc1C=CCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353124369 475699164 /nfs/dbraw/zinc/69/91/64/475699164.db2.gz JSVWPPZVAWSRKX-HYXAFXHYSA-N 1 2 335.367 2.782 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000348493767 475699564 /nfs/dbraw/zinc/69/95/64/475699564.db2.gz NPLDBVSDIYPLNJ-NSHDSACASA-N 1 2 334.401 2.957 20 5 EFBDLO O=[N+]([O-])c1nn(Cc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000358506907 475734054 /nfs/dbraw/zinc/73/40/54/475734054.db2.gz DJLOMKHMEWXNKO-UHFFFAOYSA-N 1 2 348.160 2.788 20 5 EFBDLO Cc1cccn2cc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000340158834 475810119 /nfs/dbraw/zinc/81/01/19/475810119.db2.gz PMPPBAWFULHLMU-UHFFFAOYSA-N 1 2 345.380 2.666 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nncn1-c1ccccc1 ZINC000338354080 475818626 /nfs/dbraw/zinc/81/86/26/475818626.db2.gz UVQJZCACPVIRGW-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nncn1-c1ccccc1 ZINC000338354080 475818634 /nfs/dbraw/zinc/81/86/34/475818634.db2.gz UVQJZCACPVIRGW-UHFFFAOYSA-N 1 2 337.383 2.850 20 5 EFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC000343182968 475838702 /nfs/dbraw/zinc/83/87/02/475838702.db2.gz IZXLICWLMUWXTG-UHFFFAOYSA-N 1 2 346.412 2.944 20 5 EFBDLO Cc1cc(N(C)[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343260171 475899339 /nfs/dbraw/zinc/89/93/39/475899339.db2.gz ANWZMMWOIWQFHA-OAHLLOKOSA-N 1 2 328.372 2.975 20 5 EFBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341428 475909444 /nfs/dbraw/zinc/90/94/44/475909444.db2.gz PAQHZIISIYTROW-UONOGXRCSA-N 1 2 349.434 2.846 20 5 EFBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000333341428 475909450 /nfs/dbraw/zinc/90/94/50/475909450.db2.gz PAQHZIISIYTROW-UONOGXRCSA-N 1 2 349.434 2.846 20 5 EFBDLO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000358786358 475937204 /nfs/dbraw/zinc/93/72/04/475937204.db2.gz VZAVHYZLYLOWRK-HNNXBMFYSA-N 1 2 325.368 2.850 20 5 EFBDLO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000358786358 475937209 /nfs/dbraw/zinc/93/72/09/475937209.db2.gz VZAVHYZLYLOWRK-HNNXBMFYSA-N 1 2 325.368 2.850 20 5 EFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340317248 475941469 /nfs/dbraw/zinc/94/14/69/475941469.db2.gz VQOTWEBIQKMDNR-AWEZNQCLSA-N 1 2 329.385 2.696 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000338504450 475961850 /nfs/dbraw/zinc/96/18/50/475961850.db2.gz CQVAKTSQYCENNY-UHFFFAOYSA-N 1 2 340.339 2.571 20 5 EFBDLO COC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343341466 475967016 /nfs/dbraw/zinc/96/70/16/475967016.db2.gz SGHWPVPZCTXHHG-LLVKDONJSA-N 1 2 328.796 2.874 20 5 EFBDLO COC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343341466 475967018 /nfs/dbraw/zinc/96/70/18/475967018.db2.gz SGHWPVPZCTXHHG-LLVKDONJSA-N 1 2 328.796 2.874 20 5 EFBDLO Cc1[nH]c2ccc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2[nH+]1 ZINC000358857520 475991768 /nfs/dbraw/zinc/99/17/68/475991768.db2.gz ZTHKIDYIGHHRFV-UHFFFAOYSA-N 1 2 336.307 2.576 20 5 EFBDLO Cc1[nH]c2cc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc2[nH+]1 ZINC000358857520 475991776 /nfs/dbraw/zinc/99/17/76/475991776.db2.gz ZTHKIDYIGHHRFV-UHFFFAOYSA-N 1 2 336.307 2.576 20 5 EFBDLO Cc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1[N+](=O)[O-] ZINC000343372831 475997175 /nfs/dbraw/zinc/99/71/75/475997175.db2.gz ZEJSUBXKKUPZLF-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO Cc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] ZINC000355516133 476000654 /nfs/dbraw/zinc/00/06/54/476000654.db2.gz QSRGFALSNRISRI-UHFFFAOYSA-N 1 2 331.416 2.736 20 5 EFBDLO Cc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] ZINC000355516133 476000661 /nfs/dbraw/zinc/00/06/61/476000661.db2.gz QSRGFALSNRISRI-UHFFFAOYSA-N 1 2 331.416 2.736 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2CCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000358915791 476037310 /nfs/dbraw/zinc/03/73/10/476037310.db2.gz QGWFUZCFCHCZFM-CQSZACIVSA-N 1 2 335.404 2.710 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2CCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000358915791 476037317 /nfs/dbraw/zinc/03/73/17/476037317.db2.gz QGWFUZCFCHCZFM-CQSZACIVSA-N 1 2 335.404 2.710 20 5 EFBDLO Cc1nn(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000338616155 476057523 /nfs/dbraw/zinc/05/75/23/476057523.db2.gz GWHGEOMISVGBBB-UHFFFAOYSA-N 1 2 331.376 2.757 20 5 EFBDLO COc1cc(C[N@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])cc1F ZINC000347094273 476090268 /nfs/dbraw/zinc/09/02/68/476090268.db2.gz QUFQLTTWQFRRQF-UHFFFAOYSA-N 1 2 349.362 2.522 20 5 EFBDLO COc1cc(C[N@@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])cc1F ZINC000347094273 476090276 /nfs/dbraw/zinc/09/02/76/476090276.db2.gz QUFQLTTWQFRRQF-UHFFFAOYSA-N 1 2 349.362 2.522 20 5 EFBDLO Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH+]c1C1CC1 ZINC000340566758 476111251 /nfs/dbraw/zinc/11/12/51/476111251.db2.gz MMEYYHSEKGMVGR-UHFFFAOYSA-N 1 2 325.328 2.939 20 5 EFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340643455 476177025 /nfs/dbraw/zinc/17/70/25/476177025.db2.gz UQURNAIYXQHOIQ-NSHDSACASA-N 1 2 339.355 2.819 20 5 EFBDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347307726 476248002 /nfs/dbraw/zinc/24/80/02/476248002.db2.gz UEGHXDXSJRZZMH-UHFFFAOYSA-N 1 2 343.318 2.746 20 5 EFBDLO Cc1c(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000350604730 476262776 /nfs/dbraw/zinc/26/27/76/476262776.db2.gz IUHUWIBEWVUAMN-CYBMUJFWSA-N 1 2 348.428 2.814 20 5 EFBDLO Cc1c(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000350604730 476262781 /nfs/dbraw/zinc/26/27/81/476262781.db2.gz IUHUWIBEWVUAMN-CYBMUJFWSA-N 1 2 348.428 2.814 20 5 EFBDLO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000353813169 476285738 /nfs/dbraw/zinc/28/57/38/476285738.db2.gz HQNDYAAQURYMNX-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000353813169 476285743 /nfs/dbraw/zinc/28/57/43/476285743.db2.gz HQNDYAAQURYMNX-UHFFFAOYSA-N 1 2 327.384 2.651 20 5 EFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000350762339 476297996 /nfs/dbraw/zinc/29/79/96/476297996.db2.gz MXSYEYOMGFWPQX-UHFFFAOYSA-N 1 2 338.327 2.933 20 5 EFBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357256757 476306659 /nfs/dbraw/zinc/30/66/59/476306659.db2.gz AIBDJWQPWMRQOO-UHFFFAOYSA-N 1 2 341.371 2.741 20 5 EFBDLO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(F)c1 ZINC000360625713 476321267 /nfs/dbraw/zinc/32/12/67/476321267.db2.gz BRUQERYTKMVWPI-UHFFFAOYSA-N 1 2 343.358 2.625 20 5 EFBDLO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(F)c1 ZINC000360625713 476321270 /nfs/dbraw/zinc/32/12/70/476321270.db2.gz BRUQERYTKMVWPI-UHFFFAOYSA-N 1 2 343.358 2.625 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOC1CCCC1 ZINC000357325212 476332257 /nfs/dbraw/zinc/33/22/57/476332257.db2.gz LXCCJCLKGAWCPS-UHFFFAOYSA-N 1 2 349.431 2.798 20 5 EFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360694164 476344182 /nfs/dbraw/zinc/34/41/82/476344182.db2.gz LNKMLLLQMXRUFA-UHFFFAOYSA-N 1 2 339.355 2.928 20 5 EFBDLO COc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360745196 476363355 /nfs/dbraw/zinc/36/33/55/476363355.db2.gz AHHYQXQIRYJOJV-HNNXBMFYSA-N 1 2 341.367 2.816 20 5 EFBDLO COc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360745196 476363362 /nfs/dbraw/zinc/36/33/62/476363362.db2.gz AHHYQXQIRYJOJV-HNNXBMFYSA-N 1 2 341.367 2.816 20 5 EFBDLO CSc1cccc(C(=O)NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000362721254 476367367 /nfs/dbraw/zinc/36/73/67/476367367.db2.gz GGAOXFJVIWQVME-UHFFFAOYSA-N 1 2 332.385 2.554 20 5 EFBDLO CN(C(=O)C[NH+]1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000362725006 476369935 /nfs/dbraw/zinc/36/99/35/476369935.db2.gz CLBBWJRPZQYUTN-UHFFFAOYSA-N 1 2 327.331 2.535 20 5 EFBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c(OC)c1 ZINC000363568045 476441186 /nfs/dbraw/zinc/44/11/86/476441186.db2.gz NMVUFRSAZYYDNX-AWEZNQCLSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c(OC)c1 ZINC000363568045 476441196 /nfs/dbraw/zinc/44/11/96/476441196.db2.gz NMVUFRSAZYYDNX-AWEZNQCLSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1cc(Cc2noc(C[C@@H](C)n3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000351437830 476458007 /nfs/dbraw/zinc/45/80/07/476458007.db2.gz XEALNMFUANKORY-LLVKDONJSA-N 1 2 343.343 2.577 20 5 EFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000360891512 476458878 /nfs/dbraw/zinc/45/88/78/476458878.db2.gz KBKQRFDVRYBQSQ-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO COC[C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351477344 476472145 /nfs/dbraw/zinc/47/21/45/476472145.db2.gz NZPDNVVZHYIZSK-NSHDSACASA-N 1 2 343.343 2.656 20 5 EFBDLO CNc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000360952290 476499155 /nfs/dbraw/zinc/49/91/55/476499155.db2.gz YTRIBNLJKTZEBB-WFASDCNBSA-N 1 2 343.387 2.556 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000352189816 476537888 /nfs/dbraw/zinc/53/78/88/476537888.db2.gz JRTRYGGWUXXYMB-INIZCTEOSA-N 1 2 329.331 2.947 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000352189816 476537894 /nfs/dbraw/zinc/53/78/94/476537894.db2.gz JRTRYGGWUXXYMB-INIZCTEOSA-N 1 2 329.331 2.947 20 5 EFBDLO O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c2c(c1)COCO2 ZINC000375005392 476631510 /nfs/dbraw/zinc/63/15/10/476631510.db2.gz NXIBIFPVGZYNAN-CQSZACIVSA-N 1 2 330.344 2.522 20 5 EFBDLO Cc1cc(N2CC[N@@H+](C)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000352366657 476666786 /nfs/dbraw/zinc/66/67/86/476666786.db2.gz HLPDARMVXYRGIT-SNVBAGLBSA-N 1 2 328.210 2.806 20 5 EFBDLO Cc1cc(N2CC[N@H+](C)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000352366657 476666792 /nfs/dbraw/zinc/66/67/92/476666792.db2.gz HLPDARMVXYRGIT-SNVBAGLBSA-N 1 2 328.210 2.806 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370140977 476677340 /nfs/dbraw/zinc/67/73/40/476677340.db2.gz DNCCCRARMXWDPT-LLVKDONJSA-N 1 2 334.763 2.611 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365747536 476684922 /nfs/dbraw/zinc/68/49/22/476684922.db2.gz VGFJRDCUKRHFTK-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000451880294 476697558 /nfs/dbraw/zinc/69/75/58/476697558.db2.gz VJSCCONEMBZCFI-OAHLLOKOSA-N 1 2 340.387 2.895 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000451880294 476697561 /nfs/dbraw/zinc/69/75/61/476697561.db2.gz VJSCCONEMBZCFI-OAHLLOKOSA-N 1 2 340.387 2.895 20 5 EFBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000443427082 476714982 /nfs/dbraw/zinc/71/49/82/476714982.db2.gz FNABJCOIPNIIIQ-AWEZNQCLSA-N 1 2 348.428 2.845 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000365843965 476727883 /nfs/dbraw/zinc/72/78/83/476727883.db2.gz RVSXBNYNEWRJKI-UHFFFAOYSA-N 1 2 345.790 2.984 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000365843965 476727889 /nfs/dbraw/zinc/72/78/89/476727889.db2.gz RVSXBNYNEWRJKI-UHFFFAOYSA-N 1 2 345.790 2.984 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456854122 476761690 /nfs/dbraw/zinc/76/16/90/476761690.db2.gz YOTJHDNCMKTMPE-UHFFFAOYSA-N 1 2 329.356 2.935 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000430203347 476780402 /nfs/dbraw/zinc/78/04/02/476780402.db2.gz FCYWODFORDPNRL-CQSZACIVSA-N 1 2 338.310 2.705 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000430209060 476782770 /nfs/dbraw/zinc/78/27/70/476782770.db2.gz WLOHUDNJKRZNRA-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000430209060 476782777 /nfs/dbraw/zinc/78/27/77/476782777.db2.gz WLOHUDNJKRZNRA-QGZVFWFLSA-N 1 2 328.368 2.695 20 5 EFBDLO Cc1cc(C)c(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000452041263 476790085 /nfs/dbraw/zinc/79/00/85/476790085.db2.gz JIHHYHYHBTWTHC-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC000446734807 476912938 /nfs/dbraw/zinc/91/29/38/476912938.db2.gz HKGGVHMOZKUMHL-QWQRMKEZSA-N 1 2 345.443 2.894 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC000446734807 476912948 /nfs/dbraw/zinc/91/29/48/476912948.db2.gz HKGGVHMOZKUMHL-QWQRMKEZSA-N 1 2 345.443 2.894 20 5 EFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1c[nH+]c2n1CCCC2 ZINC000452331442 476918878 /nfs/dbraw/zinc/91/88/78/476918878.db2.gz KIJLBMWXKYEZGM-UHFFFAOYSA-N 1 2 342.355 2.729 20 5 EFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c[nH+]c2n1CCCC2 ZINC000452333790 476920443 /nfs/dbraw/zinc/92/04/43/476920443.db2.gz KIUDQYYKKFZUCW-UHFFFAOYSA-N 1 2 343.387 2.958 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000366339067 476961629 /nfs/dbraw/zinc/96/16/29/476961629.db2.gz JJTBLYXPSSFDIL-AWEZNQCLSA-N 1 2 348.378 2.649 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000366339067 476961632 /nfs/dbraw/zinc/96/16/32/476961632.db2.gz JJTBLYXPSSFDIL-AWEZNQCLSA-N 1 2 348.378 2.649 20 5 EFBDLO CCC(C)(C)OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457334632 476979597 /nfs/dbraw/zinc/97/95/97/476979597.db2.gz ATWSDIQJGSNSKX-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000375759776 476991755 /nfs/dbraw/zinc/99/17/55/476991755.db2.gz RVKRNSFBPUFDEG-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000375759776 476991759 /nfs/dbraw/zinc/99/17/59/476991759.db2.gz RVKRNSFBPUFDEG-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000452570071 477003255 /nfs/dbraw/zinc/00/32/55/477003255.db2.gz AKZBRKKPIBOMDA-IAOVAPTHSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000452570071 477003260 /nfs/dbraw/zinc/00/32/60/477003260.db2.gz AKZBRKKPIBOMDA-IAOVAPTHSA-N 1 2 349.431 2.661 20 5 EFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1CC ZINC000452572765 477004759 /nfs/dbraw/zinc/00/47/59/477004759.db2.gz VCOFKQWSURYHAK-CQSZACIVSA-N 1 2 330.388 2.696 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447676329 477034174 /nfs/dbraw/zinc/03/41/74/477034174.db2.gz FBAAPJJTRXQJQH-UHFFFAOYSA-N 1 2 326.360 2.640 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(Cn4cc[nH+]c4)cc3)nc2c1 ZINC000447692033 477037646 /nfs/dbraw/zinc/03/76/46/477037646.db2.gz XZRNTLDFOFBCMA-UHFFFAOYSA-N 1 2 348.366 2.750 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccc(O)c1 ZINC000447802725 477060689 /nfs/dbraw/zinc/06/06/89/477060689.db2.gz NFNQTHKGTLNRCM-UHFFFAOYSA-N 1 2 343.383 2.745 20 5 EFBDLO CSC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447803642 477060927 /nfs/dbraw/zinc/06/09/27/477060927.db2.gz UDQIOKGNJIPOHB-UHFFFAOYSA-N 1 2 337.445 2.735 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(F)cn1 ZINC000447809460 477061972 /nfs/dbraw/zinc/06/19/72/477061972.db2.gz ZEKAAPKUFZNZTQ-UHFFFAOYSA-N 1 2 346.362 2.573 20 5 EFBDLO CCOCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812005 477063849 /nfs/dbraw/zinc/06/38/49/477063849.db2.gz JERPEYSEOFPNOA-UHFFFAOYSA-N 1 2 337.420 2.656 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCSC1 ZINC000447813562 477064190 /nfs/dbraw/zinc/06/41/90/477064190.db2.gz WRNJKPSVGASQMB-CQSZACIVSA-N 1 2 337.445 2.592 20 5 EFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1c[nH+]c2n1CCCC2 ZINC000452760450 477074463 /nfs/dbraw/zinc/07/44/63/477074463.db2.gz VGRPGWDLAKDTMN-UHFFFAOYSA-N 1 2 336.298 2.587 20 5 EFBDLO Cc1cc(OCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000366688229 477134471 /nfs/dbraw/zinc/13/44/71/477134471.db2.gz YMMSPOLDMULMHS-OAHLLOKOSA-N 1 2 344.371 2.759 20 5 EFBDLO CC(C)Oc1cc(C(=O)NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000411301913 477188938 /nfs/dbraw/zinc/18/89/38/477188938.db2.gz ZVNIBVONNSKEDG-UHFFFAOYSA-N 1 2 344.371 2.619 20 5 EFBDLO CCC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000453229542 477193858 /nfs/dbraw/zinc/19/38/58/477193858.db2.gz DDQPIBWIZQKKPM-GOEBONIOSA-N 1 2 328.372 2.647 20 5 EFBDLO O=[N+]([O-])c1cccc2c(N3CCC[N@H+](CC(F)F)CC3)ccnc21 ZINC000432322529 477195243 /nfs/dbraw/zinc/19/52/43/477195243.db2.gz ZRUIGVSDUMIWLY-UHFFFAOYSA-N 1 2 336.342 2.920 20 5 EFBDLO O=[N+]([O-])c1cccc2c(N3CCC[N@@H+](CC(F)F)CC3)ccnc21 ZINC000432322529 477195247 /nfs/dbraw/zinc/19/52/47/477195247.db2.gz ZRUIGVSDUMIWLY-UHFFFAOYSA-N 1 2 336.342 2.920 20 5 EFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371365546 477268489 /nfs/dbraw/zinc/26/84/89/477268489.db2.gz FFVRMJWBPBZOFI-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371365545 477268991 /nfs/dbraw/zinc/26/89/91/477268991.db2.gz FFVRMJWBPBZOFI-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C(NC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448806298 477295628 /nfs/dbraw/zinc/29/56/28/477295628.db2.gz SXMBROVPBJKWCI-CYBMUJFWSA-N 1 2 326.356 2.867 20 5 EFBDLO O=C(CCn1cc[nH+]c1-c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000367140814 477362191 /nfs/dbraw/zinc/36/21/91/477362191.db2.gz MMZIWRKJIBIKKQ-UHFFFAOYSA-N 1 2 337.339 2.882 20 5 EFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccc(OC)n2)cc1[N+](=O)[O-] ZINC000424311692 477367030 /nfs/dbraw/zinc/36/70/30/477367030.db2.gz VBKQZTZXFKFTGH-LLVKDONJSA-N 1 2 332.360 2.643 20 5 EFBDLO O=C(NCC1CCSCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448983634 477371512 /nfs/dbraw/zinc/37/15/12/477371512.db2.gz OQUXBKUOSWEEEP-UHFFFAOYSA-N 1 2 346.412 2.654 20 5 EFBDLO O=C(NCCCn1cc[nH+]c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435838092 477378906 /nfs/dbraw/zinc/37/89/06/477378906.db2.gz XKGFUHRISCSDIY-UHFFFAOYSA-N 1 2 346.390 2.698 20 5 EFBDLO Cc1noc([C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000376678373 477457744 /nfs/dbraw/zinc/45/77/44/477457744.db2.gz HWYLHGIRFWUHQU-MRXNPFEDSA-N 1 2 346.387 2.852 20 5 EFBDLO Cc1cc(C)n(CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413023800 477474762 /nfs/dbraw/zinc/47/47/62/477474762.db2.gz KUSAEQQWEGMVDN-UHFFFAOYSA-N 1 2 325.372 2.880 20 5 EFBDLO O=C1CCCCCN1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413028930 477476757 /nfs/dbraw/zinc/47/67/57/477476757.db2.gz QWTGSPWPHOPPDB-UHFFFAOYSA-N 1 2 342.399 2.770 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000371851110 477527713 /nfs/dbraw/zinc/52/77/13/477527713.db2.gz BYXWQUDAEYPBJR-CQSZACIVSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000371851110 477527722 /nfs/dbraw/zinc/52/77/22/477527722.db2.gz BYXWQUDAEYPBJR-CQSZACIVSA-N 1 2 347.415 2.733 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000455178200 477532184 /nfs/dbraw/zinc/53/21/84/477532184.db2.gz ZOZWXEHIEVCFKD-SNVBAGLBSA-N 1 2 333.348 2.703 20 5 EFBDLO COCCOC[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413161720 477548614 /nfs/dbraw/zinc/54/86/14/477548614.db2.gz DPLNJEKNJJCTAR-ZDUSSCGKSA-N 1 2 331.372 2.632 20 5 EFBDLO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436675473 477553161 /nfs/dbraw/zinc/55/31/61/477553161.db2.gz ZBOUNLWLQQNDAQ-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436675473 477553167 /nfs/dbraw/zinc/55/31/67/477553167.db2.gz ZBOUNLWLQQNDAQ-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](Cn4ccnn4)C3)c2c1 ZINC000413195697 477564612 /nfs/dbraw/zinc/56/46/12/477564612.db2.gz CZFWPSKCRMPRKW-CYBMUJFWSA-N 1 2 338.371 2.651 20 5 EFBDLO NC(=O)CCC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413219281 477575552 /nfs/dbraw/zinc/57/55/52/477575552.db2.gz MBAYVYXKJZAURX-UHFFFAOYSA-N 1 2 328.372 2.625 20 5 EFBDLO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436794549 477590194 /nfs/dbraw/zinc/59/01/94/477590194.db2.gz BSMUBAAWDKBQNL-UHFFFAOYSA-N 1 2 335.404 2.639 20 5 EFBDLO CN(CCCNC(=O)C1CCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413268039 477598746 /nfs/dbraw/zinc/59/87/46/477598746.db2.gz QKMPKBNVFVBXQJ-UHFFFAOYSA-N 1 2 342.399 2.886 20 5 EFBDLO CC[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413276217 477605922 /nfs/dbraw/zinc/60/59/22/477605922.db2.gz YMMZVOOHYWHFNE-NSHDSACASA-N 1 2 348.325 2.531 20 5 EFBDLO CC[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000413276217 477605929 /nfs/dbraw/zinc/60/59/29/477605929.db2.gz YMMZVOOHYWHFNE-NSHDSACASA-N 1 2 348.325 2.531 20 5 EFBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436867637 477620634 /nfs/dbraw/zinc/62/06/34/477620634.db2.gz DQTVKDJIEDARSU-CQSZACIVSA-N 1 2 347.371 2.706 20 5 EFBDLO O=C(NC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450545340 477627621 /nfs/dbraw/zinc/62/76/21/477627621.db2.gz WUPNEDLAAKYXRR-ZDUSSCGKSA-N 1 2 346.412 2.796 20 5 EFBDLO CC(F)(F)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450550996 477630054 /nfs/dbraw/zinc/63/00/54/477630054.db2.gz CNXCTSFTHMTMAS-UHFFFAOYSA-N 1 2 329.347 2.884 20 5 EFBDLO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436954308 477647524 /nfs/dbraw/zinc/64/75/24/477647524.db2.gz VJRSNLVICZEOHX-KBPBESRZSA-N 1 2 349.431 2.788 20 5 EFBDLO Cc1cc(NC[C@@H]2CC[C@@H](C)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413376417 477654081 /nfs/dbraw/zinc/65/40/81/477654081.db2.gz MPGFJAVIUARTLG-DOMZBBRYSA-N 1 2 328.372 2.762 20 5 EFBDLO CC(C)O[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000413381935 477655176 /nfs/dbraw/zinc/65/51/76/477655176.db2.gz LLGSQFCDGCDFAQ-IYBDPMFKSA-N 1 2 349.431 2.795 20 5 EFBDLO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000413383912 477656196 /nfs/dbraw/zinc/65/61/96/477656196.db2.gz CORYTMGVQPLNDG-OTVXOJSOSA-N 1 2 328.372 2.762 20 5 EFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367724219 477656492 /nfs/dbraw/zinc/65/64/92/477656492.db2.gz KCLSAZDZAWHTHX-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455492295 477657608 /nfs/dbraw/zinc/65/76/08/477657608.db2.gz YEYJBKXWQLVAGH-IAQYHMDHSA-N 1 2 341.371 2.565 20 5 EFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000367735143 477662870 /nfs/dbraw/zinc/66/28/70/477662870.db2.gz WXUIPILIGSMBAO-YPMHNXCESA-N 1 2 325.796 2.548 20 5 EFBDLO C[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450645331 477667439 /nfs/dbraw/zinc/66/74/39/477667439.db2.gz FVTGHNGGKKIWGT-VIFPVBQESA-N 1 2 342.277 2.851 20 5 EFBDLO COC1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000413424080 477674052 /nfs/dbraw/zinc/67/40/52/477674052.db2.gz WFCOMFWDNREGJM-UHFFFAOYSA-N 1 2 349.431 2.797 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372226151 477702633 /nfs/dbraw/zinc/70/26/33/477702633.db2.gz QMWPJTDBSAWODK-GFCCVEGCSA-N 1 2 329.360 2.799 20 5 EFBDLO C[C@@H]1C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000413534619 477718117 /nfs/dbraw/zinc/71/81/17/477718117.db2.gz PCDDUXZABJOGQF-IJEWVQPXSA-N 1 2 349.431 2.652 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000450803885 477721840 /nfs/dbraw/zinc/72/18/40/477721840.db2.gz LRTWETZOEQVMGJ-JSGCOSHPSA-N 1 2 326.356 2.795 20 5 EFBDLO CCOC(=O)c1ccnc(N[C@@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000450827187 477732030 /nfs/dbraw/zinc/73/20/30/477732030.db2.gz HKFQHJDBCDDUGA-JTQLQIEISA-N 1 2 333.348 2.556 20 5 EFBDLO Cc1cc(N2CCC[C@H](CO)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413595932 477743401 /nfs/dbraw/zinc/74/34/01/477743401.db2.gz QFRZXYBODGVHQD-UKRRQHHQSA-N 1 2 342.399 2.957 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC[C@@H]1CCOC1 ZINC000450885401 477750016 /nfs/dbraw/zinc/75/00/16/477750016.db2.gz BTIJNHYIHGFEFO-OAHLLOKOSA-N 1 2 349.431 2.656 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(C)[nH+]c2C)c1F ZINC000413616413 477752179 /nfs/dbraw/zinc/75/21/79/477752179.db2.gz JAKNRJLQKYIXRG-UHFFFAOYSA-N 1 2 333.319 2.936 20 5 EFBDLO O=[N+]([O-])c1ccccc1N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000450941228 477769440 /nfs/dbraw/zinc/76/94/40/477769440.db2.gz OFGDFYKRKUNEQE-UHFFFAOYSA-N 1 2 331.372 2.527 20 5 EFBDLO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437878920 477770840 /nfs/dbraw/zinc/77/08/40/477770840.db2.gz RNXJUANVANEZMC-HNNXBMFYSA-N 1 2 347.415 2.827 20 5 EFBDLO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437878920 477770846 /nfs/dbraw/zinc/77/08/46/477770846.db2.gz RNXJUANVANEZMC-HNNXBMFYSA-N 1 2 347.415 2.827 20 5 EFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000451014262 477791576 /nfs/dbraw/zinc/79/15/76/477791576.db2.gz IGPZKPUTCXBGLB-OAHLLOKOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000451014262 477791584 /nfs/dbraw/zinc/79/15/84/477791584.db2.gz IGPZKPUTCXBGLB-OAHLLOKOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000451014262 477791589 /nfs/dbraw/zinc/79/15/89/477791589.db2.gz IGPZKPUTCXBGLB-OAHLLOKOSA-N 1 2 340.387 2.813 20 5 EFBDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000451014262 477791596 /nfs/dbraw/zinc/79/15/96/477791596.db2.gz IGPZKPUTCXBGLB-OAHLLOKOSA-N 1 2 340.387 2.813 20 5 EFBDLO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000438559583 477864600 /nfs/dbraw/zinc/86/46/00/477864600.db2.gz AWPZDJJPARHPPA-UHFFFAOYSA-N 1 2 329.356 2.657 20 5 EFBDLO CNc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000515987994 477877110 /nfs/dbraw/zinc/87/71/10/477877110.db2.gz XUZRPGZOPNBHQD-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000428368151 477877810 /nfs/dbraw/zinc/87/78/10/477877810.db2.gz XMHCJVUPFUQBCP-NSHDSACASA-N 1 2 342.380 2.751 20 5 EFBDLO C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456362271 477886301 /nfs/dbraw/zinc/88/63/01/477886301.db2.gz DVFRHWHSYKYVQO-SWLSCSKDSA-N 1 2 343.387 2.806 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456365035 477888849 /nfs/dbraw/zinc/88/88/49/477888849.db2.gz VSNGNTAPGYDECO-GHMZBOCLSA-N 1 2 334.351 2.931 20 5 EFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516142624 477893082 /nfs/dbraw/zinc/89/30/82/477893082.db2.gz FUCYJLLOJQJIIO-UHFFFAOYSA-N 1 2 329.291 2.510 20 5 EFBDLO CCc1ccc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000516178016 477900870 /nfs/dbraw/zinc/90/08/70/477900870.db2.gz GOXGFQLSMSGHGW-UHFFFAOYSA-N 1 2 349.412 2.648 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2[nH+]ccn21 ZINC000456406867 477917554 /nfs/dbraw/zinc/91/75/54/477917554.db2.gz YKCGGSZUHJHROS-MWLCHTKSSA-N 1 2 325.328 2.708 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456409483 477918931 /nfs/dbraw/zinc/91/89/31/477918931.db2.gz ZWFKUXBNLGHULJ-CYBMUJFWSA-N 1 2 346.387 2.766 20 5 EFBDLO CSC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000451272696 477924203 /nfs/dbraw/zinc/92/42/03/477924203.db2.gz XIQVCCGMVDFRPR-UHFFFAOYSA-N 1 2 346.412 2.796 20 5 EFBDLO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(N)=O ZINC000428848500 477996085 /nfs/dbraw/zinc/99/60/85/477996085.db2.gz IINDQAWNFRUDKR-HWPZZCPQSA-N 1 2 349.337 2.620 20 5 EFBDLO C[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451433123 478016861 /nfs/dbraw/zinc/01/68/61/478016861.db2.gz QXPWMIQDJUTORI-OCCSQVGLSA-N 1 2 328.372 2.947 20 5 EFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000532991250 478018465 /nfs/dbraw/zinc/01/84/65/478018465.db2.gz NHOPBADXSQGTIF-ZDUSSCGKSA-N 1 2 345.321 2.580 20 5 EFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000532991250 478018472 /nfs/dbraw/zinc/01/84/72/478018472.db2.gz NHOPBADXSQGTIF-ZDUSSCGKSA-N 1 2 345.321 2.580 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000421251695 478021344 /nfs/dbraw/zinc/02/13/44/478021344.db2.gz NRLPQDJGUGRKHY-OAHLLOKOSA-N 1 2 344.371 2.797 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000421251695 478021351 /nfs/dbraw/zinc/02/13/51/478021351.db2.gz NRLPQDJGUGRKHY-OAHLLOKOSA-N 1 2 344.371 2.797 20 5 EFBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459708526 478049762 /nfs/dbraw/zinc/04/97/62/478049762.db2.gz KANIEUYVRJMYQT-AWEZNQCLSA-N 1 2 335.404 2.733 20 5 EFBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459708526 478049768 /nfs/dbraw/zinc/04/97/68/478049768.db2.gz KANIEUYVRJMYQT-AWEZNQCLSA-N 1 2 335.404 2.733 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000533310034 478061149 /nfs/dbraw/zinc/06/11/49/478061149.db2.gz HWBLRBMGXZBRQW-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000533310034 478061155 /nfs/dbraw/zinc/06/11/55/478061155.db2.gz HWBLRBMGXZBRQW-UHFFFAOYSA-N 1 2 329.356 2.679 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncnn3CCF)C2)cc1 ZINC000451551746 478087561 /nfs/dbraw/zinc/08/75/61/478087561.db2.gz UZJQHHAKYYQMPX-CQSZACIVSA-N 1 2 333.367 2.535 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncnn3CCF)C2)cc1 ZINC000451551746 478087568 /nfs/dbraw/zinc/08/75/68/478087568.db2.gz UZJQHHAKYYQMPX-CQSZACIVSA-N 1 2 333.367 2.535 20 5 EFBDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451553157 478088989 /nfs/dbraw/zinc/08/89/89/478088989.db2.gz XQVCHVCWTLAMFG-CQSZACIVSA-N 1 2 344.371 2.709 20 5 EFBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451553157 478088996 /nfs/dbraw/zinc/08/89/96/478088996.db2.gz XQVCHVCWTLAMFG-CQSZACIVSA-N 1 2 344.371 2.709 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000533485077 478089236 /nfs/dbraw/zinc/08/92/36/478089236.db2.gz OPDJDDSLNIAVOL-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000533485077 478089241 /nfs/dbraw/zinc/08/92/41/478089241.db2.gz OPDJDDSLNIAVOL-HNNXBMFYSA-N 1 2 326.356 2.765 20 5 EFBDLO COCc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451554177 478090210 /nfs/dbraw/zinc/09/02/10/478090210.db2.gz ZLVWAUXMRHYJBA-ZDUSSCGKSA-N 1 2 332.360 2.504 20 5 EFBDLO COCc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451554177 478090219 /nfs/dbraw/zinc/09/02/19/478090219.db2.gz ZLVWAUXMRHYJBA-ZDUSSCGKSA-N 1 2 332.360 2.504 20 5 EFBDLO CC(C)([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000429253544 478091423 /nfs/dbraw/zinc/09/14/23/478091423.db2.gz ITBIXSSLKBXZLM-UHFFFAOYSA-N 1 2 344.396 2.689 20 5 EFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451577649 478106429 /nfs/dbraw/zinc/10/64/29/478106429.db2.gz VUZBRLQZUAVFAS-IINYFYTJSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451577649 478106437 /nfs/dbraw/zinc/10/64/37/478106437.db2.gz VUZBRLQZUAVFAS-IINYFYTJSA-N 1 2 341.795 2.544 20 5 EFBDLO COc1ccc2c(c1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000451642021 478138508 /nfs/dbraw/zinc/13/85/08/478138508.db2.gz JYMCYGUCTXFNLK-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO COc1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000451642021 478138513 /nfs/dbraw/zinc/13/85/13/478138513.db2.gz JYMCYGUCTXFNLK-UHFFFAOYSA-N 1 2 344.367 2.877 20 5 EFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561261 478177017 /nfs/dbraw/zinc/17/70/17/478177017.db2.gz JRXPDIUXUOMAMP-SNVBAGLBSA-N 1 2 336.779 2.509 20 5 EFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561261 478177024 /nfs/dbraw/zinc/17/70/24/478177024.db2.gz JRXPDIUXUOMAMP-SNVBAGLBSA-N 1 2 336.779 2.509 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[nH+]1 ZINC000518546733 478177810 /nfs/dbraw/zinc/17/78/10/478177810.db2.gz OCCPWQWWYKNVFK-UHFFFAOYSA-N 1 2 346.387 2.755 20 5 EFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561260 478177929 /nfs/dbraw/zinc/17/79/29/478177929.db2.gz JRXPDIUXUOMAMP-JTQLQIEISA-N 1 2 336.779 2.509 20 5 EFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561260 478177932 /nfs/dbraw/zinc/17/79/32/478177932.db2.gz JRXPDIUXUOMAMP-JTQLQIEISA-N 1 2 336.779 2.509 20 5 EFBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561615811 478196945 /nfs/dbraw/zinc/19/69/45/478196945.db2.gz NJKCWDSGLKSSDR-LBPRGKRZSA-N 1 2 333.413 2.976 20 5 EFBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561615811 478196951 /nfs/dbraw/zinc/19/69/51/478196951.db2.gz NJKCWDSGLKSSDR-LBPRGKRZSA-N 1 2 333.413 2.976 20 5 EFBDLO Cc1c(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cccc1[N+](=O)[O-] ZINC000451794463 478205489 /nfs/dbraw/zinc/20/54/89/478205489.db2.gz GTEFPILUGOCAHU-AWEZNQCLSA-N 1 2 341.358 2.639 20 5 EFBDLO Cc1c(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cccc1[N+](=O)[O-] ZINC000451794463 478205493 /nfs/dbraw/zinc/20/54/93/478205493.db2.gz GTEFPILUGOCAHU-AWEZNQCLSA-N 1 2 341.358 2.639 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCC2)O1 ZINC000519538003 478231355 /nfs/dbraw/zinc/23/13/55/478231355.db2.gz BCYSGQXOAIMGBJ-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCC2)O1 ZINC000519538003 478231356 /nfs/dbraw/zinc/23/13/56/478231356.db2.gz BCYSGQXOAIMGBJ-GFCCVEGCSA-N 1 2 344.371 2.788 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC2(CCC2)C1 ZINC000519801114 478261549 /nfs/dbraw/zinc/26/15/49/478261549.db2.gz NEZWEKAVDNFOBL-UHFFFAOYSA-N 1 2 331.416 2.807 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537367607 478299043 /nfs/dbraw/zinc/29/90/43/478299043.db2.gz GEYJPMRHNGZVRD-KRWDZBQOSA-N 1 2 342.395 2.917 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537367607 478299047 /nfs/dbraw/zinc/29/90/47/478299047.db2.gz GEYJPMRHNGZVRD-KRWDZBQOSA-N 1 2 342.395 2.917 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754567 478321300 /nfs/dbraw/zinc/32/13/00/478321300.db2.gz LNOAOTRFNUBUNS-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754567 478321305 /nfs/dbraw/zinc/32/13/05/478321305.db2.gz LNOAOTRFNUBUNS-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754568 478321324 /nfs/dbraw/zinc/32/13/24/478321324.db2.gz LNOAOTRFNUBUNS-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754568 478321329 /nfs/dbraw/zinc/32/13/29/478321329.db2.gz LNOAOTRFNUBUNS-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754374 478321405 /nfs/dbraw/zinc/32/14/05/478321405.db2.gz BMUTXTCZVQDMGZ-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590754374 478321411 /nfs/dbraw/zinc/32/14/11/478321411.db2.gz BMUTXTCZVQDMGZ-ZDUSSCGKSA-N 1 2 328.372 2.757 20 5 EFBDLO CC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594507292 478417071 /nfs/dbraw/zinc/41/70/71/478417071.db2.gz CFTDGGLSWIAQOQ-ZIAGYGMSSA-N 1 2 331.376 2.805 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cccc1[N+](=O)[O-] ZINC000594511405 478419150 /nfs/dbraw/zinc/41/91/50/478419150.db2.gz MWPDAUBFUYXUEB-FZMZJTMJSA-N 1 2 331.376 2.724 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594511777 478419376 /nfs/dbraw/zinc/41/93/76/478419376.db2.gz OTHNSWQZPPGALF-BXUZGUMPSA-N 1 2 331.376 2.724 20 5 EFBDLO Cc1c([C@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cccc1[N+](=O)[O-] ZINC000594511407 478420447 /nfs/dbraw/zinc/42/04/47/478420447.db2.gz MWPDAUBFUYXUEB-SMDDNHRTSA-N 1 2 331.376 2.724 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563082299 478443406 /nfs/dbraw/zinc/44/34/06/478443406.db2.gz ZISRLDWGIOPQBL-QWHCGFSZSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563082299 478443412 /nfs/dbraw/zinc/44/34/12/478443412.db2.gz ZISRLDWGIOPQBL-QWHCGFSZSA-N 1 2 333.388 2.565 20 5 EFBDLO Cc1[nH+]c2cc(CNc3c([N+](=O)[O-])ncn3C)ccc2n1C1CC1 ZINC000594584519 478448744 /nfs/dbraw/zinc/44/87/44/478448744.db2.gz QVJLVBPHMDOSSZ-UHFFFAOYSA-N 1 2 326.360 2.933 20 5 EFBDLO CN(C)c1[nH+]cccc1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491290653 478499457 /nfs/dbraw/zinc/49/94/57/478499457.db2.gz GWGOTBFWNPGARS-VURMDHGXSA-N 1 2 344.346 2.525 20 5 EFBDLO CN(C)c1ccc(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000491292615 478500517 /nfs/dbraw/zinc/50/05/17/478500517.db2.gz ZGJUMVPABONBIC-YVMONPNESA-N 1 2 344.346 2.525 20 5 EFBDLO Cc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000600791608 478523825 /nfs/dbraw/zinc/52/38/25/478523825.db2.gz UARDJPGLRNLWJX-HNNXBMFYSA-N 1 2 340.383 2.667 20 5 EFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491370116 478526766 /nfs/dbraw/zinc/52/67/66/478526766.db2.gz YIRKJOQHKGOZLO-SNAWJCMRSA-N 1 2 326.356 2.737 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000594873602 478568420 /nfs/dbraw/zinc/56/84/20/478568420.db2.gz BQNYEVCHYDMDFV-UHFFFAOYSA-N 1 2 340.387 2.664 20 5 EFBDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000541686652 478579527 /nfs/dbraw/zinc/57/95/27/478579527.db2.gz KBLOPNQYTXUCNZ-INIZCTEOSA-N 1 2 336.388 2.685 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000594922339 478587351 /nfs/dbraw/zinc/58/73/51/478587351.db2.gz SNEOZQCQOLXLCV-UHFFFAOYSA-N 1 2 344.293 2.646 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000597941509 478587602 /nfs/dbraw/zinc/58/76/02/478587602.db2.gz QVKJGMUACHOHHT-UHFFFAOYSA-N 1 2 326.356 2.520 20 5 EFBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000597941978 478589486 /nfs/dbraw/zinc/58/94/86/478589486.db2.gz UQHNMJHDXXMZQY-UHFFFAOYSA-N 1 2 344.346 2.659 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597998738 478610721 /nfs/dbraw/zinc/61/07/21/478610721.db2.gz VPAFARGPUAYHKP-UONOGXRCSA-N 1 2 349.431 2.557 20 5 EFBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597998738 478610728 /nfs/dbraw/zinc/61/07/28/478610728.db2.gz VPAFARGPUAYHKP-UONOGXRCSA-N 1 2 349.431 2.557 20 5 EFBDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020462 478631305 /nfs/dbraw/zinc/63/13/05/478631305.db2.gz YVYSDPVXYWKFRW-LRDDRELGSA-N 1 2 346.383 2.996 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1c[nH+]c2n1CCCC2 ZINC000595052271 478641601 /nfs/dbraw/zinc/64/16/01/478641601.db2.gz WMYGQPMSGNRGSK-LBPRGKRZSA-N 1 2 330.388 2.987 20 5 EFBDLO O=C1CCCN1[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000564183110 478704198 /nfs/dbraw/zinc/70/41/98/478704198.db2.gz UBKZRDZAGZLUJI-HNNXBMFYSA-N 1 2 340.383 2.734 20 5 EFBDLO O=C1CCCN1[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000564183114 478704882 /nfs/dbraw/zinc/70/48/82/478704882.db2.gz UBKZRDZAGZLUJI-OAHLLOKOSA-N 1 2 340.383 2.734 20 5 EFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595291683 478717740 /nfs/dbraw/zinc/71/77/40/478717740.db2.gz LZYRYUZAFARJCR-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595291683 478717745 /nfs/dbraw/zinc/71/77/45/478717745.db2.gz LZYRYUZAFARJCR-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1[N+](=O)[O-] ZINC000595307701 478724326 /nfs/dbraw/zinc/72/43/26/478724326.db2.gz WZXFODMJEZHHTN-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1[N+](=O)[O-] ZINC000595307701 478724333 /nfs/dbraw/zinc/72/43/33/478724333.db2.gz WZXFODMJEZHHTN-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO C[C@@H]1SCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000592002335 478740126 /nfs/dbraw/zinc/74/01/26/478740126.db2.gz IIQNHIJNFFLBHL-GXTWGEPZSA-N 1 2 337.445 2.733 20 5 EFBDLO O=[N+]([O-])c1cccnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240129 478742507 /nfs/dbraw/zinc/74/25/07/478742507.db2.gz HKNBTWQRKAVHOB-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO COC(=O)CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595351855 478742774 /nfs/dbraw/zinc/74/27/74/478742774.db2.gz ILKNTFFCYSACFI-UHFFFAOYSA-N 1 2 347.371 2.847 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)cn1 ZINC000601241101 478742679 /nfs/dbraw/zinc/74/26/79/478742679.db2.gz XLGHAQZFXBXHHJ-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO COC(=O)CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595351855 478742778 /nfs/dbraw/zinc/74/27/78/478742778.db2.gz ILKNTFFCYSACFI-UHFFFAOYSA-N 1 2 347.371 2.847 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595361589 478747226 /nfs/dbraw/zinc/74/72/26/478747226.db2.gz YLUQZTPPGGVJNU-UHFFFAOYSA-N 1 2 348.378 2.657 20 5 EFBDLO CCc1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000592058318 478759559 /nfs/dbraw/zinc/75/95/59/478759559.db2.gz XSSXZZPBVUSUOQ-UHFFFAOYSA-N 1 2 349.412 2.648 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601306814 478776490 /nfs/dbraw/zinc/77/64/90/478776490.db2.gz SBWQLJDNZJYQPM-JHJVBQTASA-N 1 2 340.305 2.958 20 5 EFBDLO CC(C)c1nc(N(C)Cc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000502380192 478819293 /nfs/dbraw/zinc/81/92/93/478819293.db2.gz LDAQZQNDLXZKRY-UHFFFAOYSA-N 1 2 330.392 2.606 20 5 EFBDLO CC(C)c1nc(N(C)C)nc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000502380192 478819301 /nfs/dbraw/zinc/81/93/01/478819301.db2.gz LDAQZQNDLXZKRY-UHFFFAOYSA-N 1 2 330.392 2.606 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595497206 478819828 /nfs/dbraw/zinc/81/98/28/478819828.db2.gz MMINWODBLBTMLC-ZDUSSCGKSA-N 1 2 325.390 2.802 20 5 EFBDLO Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595499320 478820318 /nfs/dbraw/zinc/82/03/18/478820318.db2.gz FQBYKSHRHILALH-MRXNPFEDSA-N 1 2 331.372 2.885 20 5 EFBDLO CC(C)(CO)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000595501627 478822286 /nfs/dbraw/zinc/82/22/86/478822286.db2.gz UVBHJCNUEJBLNL-INIZCTEOSA-N 1 2 333.363 2.978 20 5 EFBDLO Cc1noc(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595510155 478827746 /nfs/dbraw/zinc/82/77/46/478827746.db2.gz JZVWDBLQJVVWFW-NSHDSACASA-N 1 2 334.351 2.741 20 5 EFBDLO Cc1noc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595510155 478827750 /nfs/dbraw/zinc/82/77/50/478827750.db2.gz JZVWDBLQJVVWFW-NSHDSACASA-N 1 2 334.351 2.741 20 5 EFBDLO CC(C)Oc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000598464679 478836169 /nfs/dbraw/zinc/83/61/69/478836169.db2.gz LHGGDQXVTOCQRA-NSHDSACASA-N 1 2 332.360 2.607 20 5 EFBDLO C[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC000492139896 478844376 /nfs/dbraw/zinc/84/43/76/478844376.db2.gz ZTXRPIVQQMHWLB-LBPRGKRZSA-N 1 2 335.404 2.866 20 5 EFBDLO C[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC000492139896 478844380 /nfs/dbraw/zinc/84/43/80/478844380.db2.gz ZTXRPIVQQMHWLB-LBPRGKRZSA-N 1 2 335.404 2.866 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000595543743 478845954 /nfs/dbraw/zinc/84/59/54/478845954.db2.gz KJYMFQKTSRCXBB-KRWDZBQOSA-N 1 2 343.339 2.501 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1[N+](=O)[O-] ZINC000595543743 478845961 /nfs/dbraw/zinc/84/59/61/478845961.db2.gz KJYMFQKTSRCXBB-KRWDZBQOSA-N 1 2 343.339 2.501 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928341 478862330 /nfs/dbraw/zinc/86/23/30/478862330.db2.gz ARTPFMZKFZPRPC-QWHCGFSZSA-N 1 2 333.388 2.565 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928341 478862336 /nfs/dbraw/zinc/86/23/36/478862336.db2.gz ARTPFMZKFZPRPC-QWHCGFSZSA-N 1 2 333.388 2.565 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCn2cc[nH+]c21 ZINC000492183346 478864416 /nfs/dbraw/zinc/86/44/16/478864416.db2.gz FRXNCMIIVWOIIJ-BPJJOFIESA-N 1 2 344.346 2.637 20 5 EFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572592160 478873839 /nfs/dbraw/zinc/87/38/39/478873839.db2.gz DEDMRGKTFAZEQS-TZMCWYRMSA-N 1 2 348.428 2.753 20 5 EFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572592160 478873842 /nfs/dbraw/zinc/87/38/42/478873842.db2.gz DEDMRGKTFAZEQS-TZMCWYRMSA-N 1 2 348.428 2.753 20 5 EFBDLO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1[N+](=O)[O-] ZINC000507242086 478912159 /nfs/dbraw/zinc/91/21/59/478912159.db2.gz CRUXGPAPCCPZIN-UHFFFAOYSA-N 1 2 327.340 2.558 20 5 EFBDLO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1[N+](=O)[O-] ZINC000507242086 478912162 /nfs/dbraw/zinc/91/21/62/478912162.db2.gz CRUXGPAPCCPZIN-UHFFFAOYSA-N 1 2 327.340 2.558 20 5 EFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000595656561 478918316 /nfs/dbraw/zinc/91/83/16/478918316.db2.gz BYLDZUFHPWUCPC-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000595656561 478918326 /nfs/dbraw/zinc/91/83/26/478918326.db2.gz BYLDZUFHPWUCPC-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595760783 478981543 /nfs/dbraw/zinc/98/15/43/478981543.db2.gz SKZAYNULIZYULK-MRXNPFEDSA-N 1 2 348.378 2.783 20 5 EFBDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595760783 478981550 /nfs/dbraw/zinc/98/15/50/478981550.db2.gz SKZAYNULIZYULK-MRXNPFEDSA-N 1 2 348.378 2.783 20 5 EFBDLO CC(C)c1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000512687205 479001956 /nfs/dbraw/zinc/00/19/56/479001956.db2.gz ODGFPZGAZULNCD-JKSUJKDBSA-N 1 2 331.416 2.961 20 5 EFBDLO CC(C)c1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000512687205 479001963 /nfs/dbraw/zinc/00/19/63/479001963.db2.gz ODGFPZGAZULNCD-JKSUJKDBSA-N 1 2 331.416 2.961 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822592 479016708 /nfs/dbraw/zinc/01/67/08/479016708.db2.gz XHJXVNBJQYDHFN-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822592 479016715 /nfs/dbraw/zinc/01/67/15/479016715.db2.gz XHJXVNBJQYDHFN-UHFFFAOYSA-N 1 2 332.400 2.994 20 5 EFBDLO CCN(CCSC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592744643 479022668 /nfs/dbraw/zinc/02/26/68/479022668.db2.gz FVPYQQCSFBCQGA-UHFFFAOYSA-N 1 2 334.401 2.606 20 5 EFBDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000595884877 479051123 /nfs/dbraw/zinc/05/11/23/479051123.db2.gz ICBDKCFMOLRGPK-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000595884877 479051128 /nfs/dbraw/zinc/05/11/28/479051128.db2.gz ICBDKCFMOLRGPK-UHFFFAOYSA-N 1 2 349.416 2.524 20 5 EFBDLO Cc1cc(NC[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573468881 479075724 /nfs/dbraw/zinc/07/57/24/479075724.db2.gz UJLORHFAWMXXNB-DOMZBBRYSA-N 1 2 342.399 2.867 20 5 EFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000493606919 479077888 /nfs/dbraw/zinc/07/78/88/479077888.db2.gz RULPYUCLYSBOTO-LBPRGKRZSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000493606919 479077893 /nfs/dbraw/zinc/07/78/93/479077893.db2.gz RULPYUCLYSBOTO-LBPRGKRZSA-N 1 2 336.388 2.910 20 5 EFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)S1 ZINC000573654811 479111209 /nfs/dbraw/zinc/11/12/09/479111209.db2.gz IAKNIDNHPKRXOL-TXEJJXNPSA-N 1 2 346.412 2.747 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593057970 479148105 /nfs/dbraw/zinc/14/81/05/479148105.db2.gz YIWAPHZWWQNTCG-CQSZACIVSA-N 1 2 336.388 2.851 20 5 EFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593057970 479148113 /nfs/dbraw/zinc/14/81/13/479148113.db2.gz YIWAPHZWWQNTCG-CQSZACIVSA-N 1 2 336.388 2.851 20 5 EFBDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000569662438 479148487 /nfs/dbraw/zinc/14/84/87/479148487.db2.gz IKTDRAPQKXKLQO-UHFFFAOYSA-N 1 2 340.383 2.515 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072739 479158424 /nfs/dbraw/zinc/15/84/24/479158424.db2.gz MAWPKXIHSUJPJH-UHFFFAOYSA-N 1 2 339.342 2.963 20 5 EFBDLO Cc1cc(N(C)CC2(C)COC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599145025 479180040 /nfs/dbraw/zinc/18/00/40/479180040.db2.gz MFWJBGAIBBOAHI-UHFFFAOYSA-N 1 2 328.372 2.833 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(F)CC1 ZINC000602992665 479185363 /nfs/dbraw/zinc/18/53/63/479185363.db2.gz BRSZFJQEMFOLPP-LLVKDONJSA-N 1 2 339.367 2.754 20 5 EFBDLO Cc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000596187773 479189020 /nfs/dbraw/zinc/18/90/20/479189020.db2.gz XQQJXSIEXKOSMI-UHFFFAOYSA-N 1 2 329.360 2.611 20 5 EFBDLO O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610792356 479191304 /nfs/dbraw/zinc/19/13/04/479191304.db2.gz QMSHYTPLFFGTKF-LLVKDONJSA-N 1 2 336.298 2.698 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356183 479264453 /nfs/dbraw/zinc/26/44/53/479264453.db2.gz HEJIEUPHQZRAAQ-UHFFFAOYSA-N 1 2 330.392 2.727 20 5 EFBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355389 479264662 /nfs/dbraw/zinc/26/46/62/479264662.db2.gz CNXRRYDFEMNYJX-UHFFFAOYSA-N 1 2 333.779 2.672 20 5 EFBDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000557491041 479282791 /nfs/dbraw/zinc/28/27/91/479282791.db2.gz FSFVJWLVJOGANS-NHYWBVRUSA-N 1 2 328.372 2.699 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596429272 479291957 /nfs/dbraw/zinc/29/19/57/479291957.db2.gz IXPYGURQTPKDAA-CHWSQXEVSA-N 1 2 335.404 2.709 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596429272 479291961 /nfs/dbraw/zinc/29/19/61/479291961.db2.gz IXPYGURQTPKDAA-CHWSQXEVSA-N 1 2 335.404 2.709 20 5 EFBDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611254858 479324625 /nfs/dbraw/zinc/32/46/25/479324625.db2.gz LHEQNQPKPHOUHY-UHFFFAOYSA-N 1 2 333.432 2.984 20 5 EFBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611266488 479328412 /nfs/dbraw/zinc/32/84/12/479328412.db2.gz DSFYZXUUZXUKJP-KRZKXXONSA-N 1 2 337.379 2.693 20 5 EFBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611266488 479328418 /nfs/dbraw/zinc/32/84/18/479328418.db2.gz DSFYZXUUZXUKJP-KRZKXXONSA-N 1 2 337.379 2.693 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1)OCCO2 ZINC000611266911 479330059 /nfs/dbraw/zinc/33/00/59/479330059.db2.gz SANIUAUCTJEOOA-CYBMUJFWSA-N 1 2 344.371 2.816 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOC3(CCCCC3)C1)OCCO2 ZINC000611274139 479333651 /nfs/dbraw/zinc/33/36/51/479333651.db2.gz VGMWRHAGRDSJHY-UHFFFAOYSA-N 1 2 348.399 2.901 20 5 EFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOC3(CCCCC3)C1)OCCO2 ZINC000611274139 479333654 /nfs/dbraw/zinc/33/36/54/479333654.db2.gz VGMWRHAGRDSJHY-UHFFFAOYSA-N 1 2 348.399 2.901 20 5 EFBDLO Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596543692 479334379 /nfs/dbraw/zinc/33/43/79/479334379.db2.gz QEIJVZCDDOLHHY-XIKOKIGWSA-N 1 2 342.399 2.815 20 5 EFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602449389 479339939 /nfs/dbraw/zinc/33/99/39/479339939.db2.gz KRESBMAWUCXMTF-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602449389 479339943 /nfs/dbraw/zinc/33/99/43/479339943.db2.gz KRESBMAWUCXMTF-UHFFFAOYSA-N 1 2 347.337 2.914 20 5 EFBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000599582510 479340120 /nfs/dbraw/zinc/34/01/20/479340120.db2.gz MSIIJQLTRUSWRE-ZYHUDNBSSA-N 1 2 339.392 2.691 20 5 EFBDLO Cc1noc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000599582510 479340126 /nfs/dbraw/zinc/34/01/26/479340126.db2.gz MSIIJQLTRUSWRE-ZYHUDNBSSA-N 1 2 339.392 2.691 20 5 EFBDLO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000611294695 479340820 /nfs/dbraw/zinc/34/08/20/479340820.db2.gz WWLDMUDWBWTGPD-UHFFFAOYSA-N 1 2 333.344 2.988 20 5 EFBDLO CCCC(=O)NC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586760570 479345461 /nfs/dbraw/zinc/34/54/61/479345461.db2.gz QXOFJNMGZXVBHK-UHFFFAOYSA-N 1 2 341.358 2.754 20 5 EFBDLO CO[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000574835663 479356838 /nfs/dbraw/zinc/35/68/38/479356838.db2.gz CJLYKKPBFFTBEJ-IRXDYDNUSA-N 1 2 349.431 2.652 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623426 479356862 /nfs/dbraw/zinc/35/68/62/479356862.db2.gz PYQINSXBIGCHFE-NSHDSACASA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623426 479356867 /nfs/dbraw/zinc/35/68/67/479356867.db2.gz PYQINSXBIGCHFE-NSHDSACASA-N 1 2 327.331 2.961 20 5 EFBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602479226 479357049 /nfs/dbraw/zinc/35/70/49/479357049.db2.gz YXQZHWCFHAXFTL-LLVKDONJSA-N 1 2 335.223 2.766 20 5 EFBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602479226 479357052 /nfs/dbraw/zinc/35/70/52/479357052.db2.gz YXQZHWCFHAXFTL-LLVKDONJSA-N 1 2 335.223 2.766 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599644924 479366223 /nfs/dbraw/zinc/36/62/23/479366223.db2.gz AZXCDVGJBCJFBO-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599644924 479366228 /nfs/dbraw/zinc/36/62/28/479366228.db2.gz AZXCDVGJBCJFBO-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO CC[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000611475643 479388803 /nfs/dbraw/zinc/38/88/03/479388803.db2.gz QWFFLWCZMILEOD-MRXNPFEDSA-N 1 2 330.388 2.982 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599699137 479397417 /nfs/dbraw/zinc/39/74/17/479397417.db2.gz CMZOYGSMQRDCDV-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599699137 479397421 /nfs/dbraw/zinc/39/74/21/479397421.db2.gz CMZOYGSMQRDCDV-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO C[N@@H+]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H](c2ccccc2)C1 ZINC000599713720 479403543 /nfs/dbraw/zinc/40/35/43/479403543.db2.gz LVNVRHUUDYQYRG-CABCVRRESA-N 1 2 341.367 2.584 20 5 EFBDLO C[N@H+]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H](c2ccccc2)C1 ZINC000599713720 479403549 /nfs/dbraw/zinc/40/35/49/479403549.db2.gz LVNVRHUUDYQYRG-CABCVRRESA-N 1 2 341.367 2.584 20 5 EFBDLO O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000575125625 479408037 /nfs/dbraw/zinc/40/80/37/479408037.db2.gz JRZNEVCXPXGHMZ-CHWSQXEVSA-N 1 2 332.335 2.791 20 5 EFBDLO Cc1nc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000611560393 479415440 /nfs/dbraw/zinc/41/54/40/479415440.db2.gz QZVDVRFYBAOLSI-HNNXBMFYSA-N 1 2 343.412 2.972 20 5 EFBDLO Cc1cccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000603853576 479439256 /nfs/dbraw/zinc/43/92/56/479439256.db2.gz GKCNNGYDZZODBB-KRWDZBQOSA-N 1 2 342.399 2.784 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cn2cccc(C)c2[nH+]1 ZINC000588821060 479444701 /nfs/dbraw/zinc/44/47/01/479444701.db2.gz OCFWILCICZMARC-UHFFFAOYSA-N 1 2 328.376 2.730 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3cccc(F)c3)nc2c1 ZINC000611680918 479444821 /nfs/dbraw/zinc/44/48/21/479444821.db2.gz JTEGEPKJNWQCRF-AWEZNQCLSA-N 1 2 331.303 2.698 20 5 EFBDLO O=[N+]([O-])c1sc(C[NH+]2CC([C@H]3CCOC3)C2)cc1Br ZINC000602653114 479449700 /nfs/dbraw/zinc/44/97/00/479449700.db2.gz YXEMXEWMMNSVKD-QMMMGPOBSA-N 1 2 347.234 2.887 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000611711997 479453982 /nfs/dbraw/zinc/45/39/82/479453982.db2.gz DLFJXUYYTGBAJC-GFCCVEGCSA-N 1 2 336.355 2.624 20 5 EFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000611714441 479454846 /nfs/dbraw/zinc/45/48/46/479454846.db2.gz RCJPSDPGEDKTDB-UHFFFAOYSA-N 1 2 346.350 2.758 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602685782 479474423 /nfs/dbraw/zinc/47/44/23/479474423.db2.gz MAZUJYUSVFVVCV-SFYZADRCSA-N 1 2 335.223 2.622 20 5 EFBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602685782 479474431 /nfs/dbraw/zinc/47/44/31/479474431.db2.gz MAZUJYUSVFVVCV-SFYZADRCSA-N 1 2 335.223 2.622 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000602688612 479476210 /nfs/dbraw/zinc/47/62/10/479476210.db2.gz LYCGOJQTVCDVQN-MRXNPFEDSA-N 1 2 328.372 2.543 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000589107195 479477611 /nfs/dbraw/zinc/47/76/11/479477611.db2.gz PWKTYNVBVUIMLN-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000614672087 479478207 /nfs/dbraw/zinc/47/82/07/479478207.db2.gz DMGRVIZAUUIILJ-GXTWGEPZSA-N 1 2 326.356 2.795 20 5 EFBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000599951176 479479207 /nfs/dbraw/zinc/47/92/07/479479207.db2.gz AXHZEHPIVOOVEQ-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000599951176 479479214 /nfs/dbraw/zinc/47/92/14/479479214.db2.gz AXHZEHPIVOOVEQ-UHFFFAOYSA-N 1 2 340.261 2.535 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611823675 479494198 /nfs/dbraw/zinc/49/41/98/479494198.db2.gz PJFYVBYHKHGRPT-CYBMUJFWSA-N 1 2 345.359 2.669 20 5 EFBDLO CN(CCO)c1ccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH+]c1 ZINC000618573045 479497793 /nfs/dbraw/zinc/49/77/93/479497793.db2.gz IDDPBISGTNISHO-KRWDZBQOSA-N 1 2 342.399 2.908 20 5 EFBDLO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602717627 479500701 /nfs/dbraw/zinc/50/07/01/479500701.db2.gz LXFNYURGKAREPX-CYBMUJFWSA-N 1 2 332.404 2.946 20 5 EFBDLO Nc1c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000604457437 479521816 /nfs/dbraw/zinc/52/18/16/479521816.db2.gz KGEMFIRKQHNVDY-UHFFFAOYSA-N 1 2 341.302 2.959 20 5 EFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000604525184 479533892 /nfs/dbraw/zinc/53/38/92/479533892.db2.gz SHMNAZORGVOBOB-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000604525184 479533898 /nfs/dbraw/zinc/53/38/98/479533898.db2.gz SHMNAZORGVOBOB-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000602786589 479551675 /nfs/dbraw/zinc/55/16/75/479551675.db2.gz RLUOOUJGTMPCIS-CJNGLKHVSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000602786589 479551682 /nfs/dbraw/zinc/55/16/82/479551682.db2.gz RLUOOUJGTMPCIS-CJNGLKHVSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000602786587 479551722 /nfs/dbraw/zinc/55/17/22/479551722.db2.gz RLUOOUJGTMPCIS-BBRMVZONSA-N 1 2 330.388 2.562 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000602786587 479551728 /nfs/dbraw/zinc/55/17/28/479551728.db2.gz RLUOOUJGTMPCIS-BBRMVZONSA-N 1 2 330.388 2.562 20 5 EFBDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000590374819 479635848 /nfs/dbraw/zinc/63/58/48/479635848.db2.gz STGALWWLTUXXSE-INIZCTEOSA-N 1 2 331.372 2.545 20 5 EFBDLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000612346111 479651104 /nfs/dbraw/zinc/65/11/04/479651104.db2.gz GFMDZKRXQDFVBV-UHFFFAOYSA-N 1 2 325.328 2.789 20 5 EFBDLO CCc1cc(NCCOC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000612454902 479675875 /nfs/dbraw/zinc/67/58/75/479675875.db2.gz AJAYSQQQDFLYIU-UHFFFAOYSA-N 1 2 330.388 2.873 20 5 EFBDLO C[C@@H]1C[C@@H](C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615990637 479801252 /nfs/dbraw/zinc/80/12/52/479801252.db2.gz BIQSTEQZAILLGW-HUUCEWRRSA-N 1 2 333.432 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000615994593 479803074 /nfs/dbraw/zinc/80/30/74/479803074.db2.gz YLCMTSPQRWKCSG-IYBDPMFKSA-N 1 2 331.416 2.663 20 5 EFBDLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000619694200 479860526 /nfs/dbraw/zinc/86/05/26/479860526.db2.gz SPASMTVJEZSFFZ-UHFFFAOYSA-N 1 2 348.428 2.691 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609553195 480174015 /nfs/dbraw/zinc/17/40/15/480174015.db2.gz KSGPWCQDQWQBGY-AWEZNQCLSA-N 1 2 329.360 2.969 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609553508 480174189 /nfs/dbraw/zinc/17/41/89/480174189.db2.gz VTQCTHBYNRQLHH-ZDUSSCGKSA-N 1 2 345.359 2.669 20 5 EFBDLO Cc1noc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000610370992 480293245 /nfs/dbraw/zinc/29/32/45/480293245.db2.gz LAECFNBYMDNDSF-NSHDSACASA-N 1 2 332.360 2.891 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3csc([N+](=O)[O-])c3)[nH+]c12 ZINC000610435072 480304971 /nfs/dbraw/zinc/30/49/71/480304971.db2.gz XCCQOAWMYRTFMZ-UHFFFAOYSA-N 1 2 330.369 2.585 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000610582072 480344198 /nfs/dbraw/zinc/34/41/98/480344198.db2.gz PXLRWSSXGDLEFU-ZWNOBZJWSA-N 1 2 345.277 2.624 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000610582072 480344202 /nfs/dbraw/zinc/34/42/02/480344202.db2.gz PXLRWSSXGDLEFU-ZWNOBZJWSA-N 1 2 345.277 2.624 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000064635396 521058104 /nfs/dbraw/zinc/05/81/04/521058104.db2.gz ATWSJDCJYPALJL-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000064635396 521058115 /nfs/dbraw/zinc/05/81/15/521058115.db2.gz ATWSJDCJYPALJL-UHFFFAOYSA-N 1 2 349.309 2.816 20 5 EFBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000183981978 534536051 /nfs/dbraw/zinc/53/60/51/534536051.db2.gz BZBXZFCXGXDHBN-UHFFFAOYSA-N 1 2 348.428 2.847 20 5 EFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178445821 534772249 /nfs/dbraw/zinc/77/22/49/534772249.db2.gz OYPYWTXHMBTSBV-UHFFFAOYSA-N 1 2 349.387 2.753 20 5 EFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194562967 524631412 /nfs/dbraw/zinc/63/14/12/524631412.db2.gz FDDZNGWXGXTEDZ-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130748774 534841486 /nfs/dbraw/zinc/84/14/86/534841486.db2.gz HIGFPPIKNAHMPT-HNNXBMFYSA-N 1 2 343.387 2.710 20 5 EFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130748774 534841490 /nfs/dbraw/zinc/84/14/90/534841490.db2.gz HIGFPPIKNAHMPT-HNNXBMFYSA-N 1 2 343.387 2.710 20 5 EFBDLO Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000127301295 525286487 /nfs/dbraw/zinc/28/64/87/525286487.db2.gz RPTUFRWMVURJSC-UHFFFAOYSA-N 1 2 327.749 2.752 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1Br ZINC000159420357 534879869 /nfs/dbraw/zinc/87/98/69/534879869.db2.gz QIHVROXUWGYRQE-LLVKDONJSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1Br ZINC000159420357 534879871 /nfs/dbraw/zinc/87/98/71/534879871.db2.gz QIHVROXUWGYRQE-LLVKDONJSA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000116894737 525841980 /nfs/dbraw/zinc/84/19/80/525841980.db2.gz QWRBPNNPXHYVOS-INIZCTEOSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000116894737 525841987 /nfs/dbraw/zinc/84/19/87/525841987.db2.gz QWRBPNNPXHYVOS-INIZCTEOSA-N 1 2 332.356 2.949 20 5 EFBDLO Cc1c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000043348201 525842179 /nfs/dbraw/zinc/84/21/79/525842179.db2.gz LNAPKGUPIXTPRH-UHFFFAOYSA-N 1 2 341.371 2.652 20 5 EFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000153379883 525905720 /nfs/dbraw/zinc/90/57/20/525905720.db2.gz PBOXKPDREMMWSB-GXTWGEPZSA-N 1 2 328.372 2.540 20 5 EFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000065545015 526504487 /nfs/dbraw/zinc/50/44/87/526504487.db2.gz UMEVSEDEBOTDEN-UHFFFAOYSA-N 1 2 344.415 2.826 20 5 EFBDLO Cc1noc(C)c1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000065545015 526504493 /nfs/dbraw/zinc/50/44/93/526504493.db2.gz UMEVSEDEBOTDEN-UHFFFAOYSA-N 1 2 344.415 2.826 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120775236 526714759 /nfs/dbraw/zinc/71/47/59/526714759.db2.gz LXXMFFCFSWIXBH-CYBMUJFWSA-N 1 2 347.758 2.937 20 5 EFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000136322757 526742612 /nfs/dbraw/zinc/74/26/12/526742612.db2.gz PYULFKDZTWWGOX-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000182369573 527348405 /nfs/dbraw/zinc/34/84/05/527348405.db2.gz LKOZOZGXHAZKDA-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130235275 528295778 /nfs/dbraw/zinc/29/57/78/528295778.db2.gz TXHZXNYMWSSFKJ-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130235275 528295782 /nfs/dbraw/zinc/29/57/82/528295782.db2.gz TXHZXNYMWSSFKJ-UHFFFAOYSA-N 1 2 340.445 2.773 20 5 EFBDLO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000174370599 529298308 /nfs/dbraw/zinc/29/83/08/529298308.db2.gz YHGDVSAASQPCSA-ZDUSSCGKSA-N 1 2 334.401 2.972 20 5 EFBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000174370599 529298309 /nfs/dbraw/zinc/29/83/09/529298309.db2.gz YHGDVSAASQPCSA-ZDUSSCGKSA-N 1 2 334.401 2.972 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344593583 535428229 /nfs/dbraw/zinc/42/82/29/535428229.db2.gz LYBCUXKUQGOMTB-HNNXBMFYSA-N 1 2 344.371 2.608 20 5 EFBDLO COCCO[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351723624 536559824 /nfs/dbraw/zinc/55/98/24/536559824.db2.gz ZXEHQIWAQCIEPF-GFCCVEGCSA-N 1 2 330.331 2.500 20 5 EFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351723624 536559830 /nfs/dbraw/zinc/55/98/30/536559830.db2.gz ZXEHQIWAQCIEPF-GFCCVEGCSA-N 1 2 330.331 2.500 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412063901 536563653 /nfs/dbraw/zinc/56/36/53/536563653.db2.gz JNICMJCKPUUZRL-HNNXBMFYSA-N 1 2 328.315 2.648 20 5 EFBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412063901 536563658 /nfs/dbraw/zinc/56/36/58/536563658.db2.gz JNICMJCKPUUZRL-HNNXBMFYSA-N 1 2 328.315 2.648 20 5 EFBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353517916 536647814 /nfs/dbraw/zinc/64/78/14/536647814.db2.gz KVYNHRBNXZJXSY-CVEARBPZSA-N 1 2 332.404 2.678 20 5 EFBDLO Cn1c[nH+]c2cc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000439710095 546236684 /nfs/dbraw/zinc/23/66/84/546236684.db2.gz XKFSQYAQPYZAFL-UHFFFAOYSA-N 1 2 346.368 2.629 20 5 EFBDLO CCC1(C)CC[NH+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000755273426 575568947 /nfs/dbraw/zinc/56/89/47/575568947.db2.gz DZWZLQVTBBVLBM-UHFFFAOYSA-N 1 2 346.387 2.881 20 5 EFBDLO CCC1(CC)CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755931482 575659396 /nfs/dbraw/zinc/65/93/96/575659396.db2.gz OVTHHZHXQGFCBD-UHFFFAOYSA-N 1 2 331.372 2.660 20 5 EFBDLO CCC1(CC)CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755931482 575659397 /nfs/dbraw/zinc/65/93/97/575659397.db2.gz OVTHHZHXQGFCBD-UHFFFAOYSA-N 1 2 331.372 2.660 20 5 EFBDLO CNc1ccc(C(=O)OCc2cc(OC)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000757667532 575848727 /nfs/dbraw/zinc/84/87/27/575848727.db2.gz LJWHBBLBFDJUMQ-UHFFFAOYSA-N 1 2 331.328 2.706 20 5 EFBDLO Cc1ccc2[nH+]c(COC(=O)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000758038304 575858671 /nfs/dbraw/zinc/85/86/71/575858671.db2.gz RVTPOPXOPLOSLR-UHFFFAOYSA-N 1 2 325.324 2.837 20 5 EFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000758252207 575864908 /nfs/dbraw/zinc/86/49/08/575864908.db2.gz DMXNUPSFTZIEJR-UHFFFAOYSA-N 1 2 345.321 2.535 20 5 EFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000758252207 575864909 /nfs/dbraw/zinc/86/49/09/575864909.db2.gz DMXNUPSFTZIEJR-UHFFFAOYSA-N 1 2 345.321 2.535 20 5 EFBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1(C)C ZINC000758999857 575882323 /nfs/dbraw/zinc/88/23/23/575882323.db2.gz LOOAWNZBCIQXQU-LLVKDONJSA-N 1 2 331.372 2.516 20 5 EFBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1(C)C ZINC000758999857 575882324 /nfs/dbraw/zinc/88/23/24/575882324.db2.gz LOOAWNZBCIQXQU-LLVKDONJSA-N 1 2 331.372 2.516 20 5 EFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759160593 575885994 /nfs/dbraw/zinc/88/59/94/575885994.db2.gz QROCMDSQEFBGMQ-MRXNPFEDSA-N 1 2 340.387 2.781 20 5 EFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000759160593 575885995 /nfs/dbraw/zinc/88/59/95/575885995.db2.gz QROCMDSQEFBGMQ-MRXNPFEDSA-N 1 2 340.387 2.781 20 5 EFBDLO C[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000759250444 575887809 /nfs/dbraw/zinc/88/78/09/575887809.db2.gz ZVSJOQJVTHZPMI-STQMWFEESA-N 1 2 326.360 2.527 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048498 576104595 /nfs/dbraw/zinc/10/45/95/576104595.db2.gz FJFCHMNEKQVWHA-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048498 576104597 /nfs/dbraw/zinc/10/45/97/576104597.db2.gz FJFCHMNEKQVWHA-JTQLQIEISA-N 1 2 331.294 2.726 20 5 EFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000761218531 576131492 /nfs/dbraw/zinc/13/14/92/576131492.db2.gz GEHNWIPPFSXQCC-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000761218531 576131494 /nfs/dbraw/zinc/13/14/94/576131494.db2.gz GEHNWIPPFSXQCC-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761478184 576168267 /nfs/dbraw/zinc/16/82/67/576168267.db2.gz WJYSWPVXFDNCLE-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000762212499 576275502 /nfs/dbraw/zinc/27/55/02/576275502.db2.gz SHIQKUBTTBOTCY-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000763290027 576371192 /nfs/dbraw/zinc/37/11/92/576371192.db2.gz ZCPCYKDREYUVON-UHFFFAOYSA-N 1 2 330.344 2.613 20 5 EFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2cn3ccccc3[nH+]2)c1F ZINC000764057010 576425194 /nfs/dbraw/zinc/42/51/94/576425194.db2.gz UVFGVCMVZIPSNW-UHFFFAOYSA-N 1 2 342.330 2.663 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000725801114 577229135 /nfs/dbraw/zinc/22/91/35/577229135.db2.gz SRVGNGPJYYCVSW-UHFFFAOYSA-N 1 2 341.433 2.957 20 5 EFBDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000725801114 577229136 /nfs/dbraw/zinc/22/91/36/577229136.db2.gz SRVGNGPJYYCVSW-UHFFFAOYSA-N 1 2 341.433 2.957 20 5 EFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnc1Cl ZINC000768302638 577265335 /nfs/dbraw/zinc/26/53/35/577265335.db2.gz JDKXCRRWKDIFPQ-UHFFFAOYSA-N 1 2 347.806 2.669 20 5 EFBDLO C[N@H+](CCn1cccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769402750 577359619 /nfs/dbraw/zinc/35/96/19/577359619.db2.gz CASOMYNAMQETDB-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO C[N@@H+](CCn1cccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769402750 577359622 /nfs/dbraw/zinc/35/96/22/577359622.db2.gz CASOMYNAMQETDB-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO CC[C@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738257903 577361643 /nfs/dbraw/zinc/36/16/43/577361643.db2.gz ZCXQSOSGPRTFBN-LBPRGKRZSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738257903 577361645 /nfs/dbraw/zinc/36/16/45/577361645.db2.gz ZCXQSOSGPRTFBN-LBPRGKRZSA-N 1 2 331.372 2.660 20 5 EFBDLO C[C@H]1COCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769456978 577363479 /nfs/dbraw/zinc/36/34/79/577363479.db2.gz OUHUYROXFUOHSO-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@H]1COCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769456978 577363482 /nfs/dbraw/zinc/36/34/82/577363482.db2.gz OUHUYROXFUOHSO-SNVBAGLBSA-N 1 2 329.194 2.826 20 5 EFBDLO COc1cccc(C(=O)OCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000769603726 577374749 /nfs/dbraw/zinc/37/47/49/577374749.db2.gz OWAPHVXQXWPOGA-UHFFFAOYSA-N 1 2 341.323 2.917 20 5 EFBDLO Cc1cccn2cc(CC(=O)OCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000726755979 577383685 /nfs/dbraw/zinc/38/36/85/577383685.db2.gz RBIUCDYXPXSKKX-UHFFFAOYSA-N 1 2 325.324 2.837 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000726752653 577383870 /nfs/dbraw/zinc/38/38/70/577383870.db2.gz SIJULSALFNKZLT-UHFFFAOYSA-N 1 2 341.323 2.708 20 5 EFBDLO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922501 577395746 /nfs/dbraw/zinc/39/57/46/577395746.db2.gz ROFGPYCHLNIFTO-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739922501 577395747 /nfs/dbraw/zinc/39/57/47/577395747.db2.gz ROFGPYCHLNIFTO-WDEREUQCSA-N 1 2 341.795 2.544 20 5 EFBDLO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc2[nH+]ccn21 ZINC000770078465 577400978 /nfs/dbraw/zinc/40/09/78/577400978.db2.gz LNJVEHFGDKFPNM-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc2[nH+]ccn21 ZINC000770654092 581122193 /nfs/dbraw/zinc/12/21/93/581122193.db2.gz LKPPDDDYMOEKTE-UHFFFAOYSA-N 1 2 348.322 2.885 20 5 EFBDLO C[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC12CCC2 ZINC000770670999 581124030 /nfs/dbraw/zinc/12/40/30/581124030.db2.gz VDOPRXRTPCFELF-LBPRGKRZSA-N 1 2 343.383 2.660 20 5 EFBDLO C[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC12CCC2 ZINC000770670999 581124032 /nfs/dbraw/zinc/12/40/32/581124032.db2.gz VDOPRXRTPCFELF-LBPRGKRZSA-N 1 2 343.383 2.660 20 5 EFBDLO CC1(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CCC1 ZINC001003444218 1264757886 /nfs/dbraw/zinc/75/78/86/1264757886.db2.gz ODXISURANGKWPA-UHFFFAOYSA-N 1 2 337.445 2.927 20 5 EFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824811138 1278294928 /nfs/dbraw/zinc/29/49/28/1278294928.db2.gz XAPRYNBACOJIGZ-GQCTYLIASA-N 1 2 342.374 2.964 20 5 EFBDLO O=C(OC1([C@@H]2CCOC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735909737 1267453132 /nfs/dbraw/zinc/45/31/32/1267453132.db2.gz IXLMFJMZWPOOEP-CYBMUJFWSA-N 1 2 343.339 2.506 20 5 EFBDLO COc1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N)c2)cc1SC ZINC000791842082 1278397844 /nfs/dbraw/zinc/39/78/44/1278397844.db2.gz HMPRWPBOLYBARH-UHFFFAOYSA-N 1 2 349.368 2.660 20 5 EFBDLO CC[C@@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738257898 1268418751 /nfs/dbraw/zinc/41/87/51/1268418751.db2.gz ZCXQSOSGPRTFBN-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CC[C@@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738257898 1268418755 /nfs/dbraw/zinc/41/87/55/1268418755.db2.gz ZCXQSOSGPRTFBN-GFCCVEGCSA-N 1 2 331.372 2.660 20 5 EFBDLO CC(C)[C@@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738239192 1268429247 /nfs/dbraw/zinc/42/92/47/1268429247.db2.gz JGVYGPWRUUTOCT-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO CC(C)[C@@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738239192 1268429254 /nfs/dbraw/zinc/42/92/54/1268429254.db2.gz JGVYGPWRUUTOCT-CYBMUJFWSA-N 1 2 345.399 2.906 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000741913898 1269752525 /nfs/dbraw/zinc/75/25/25/1269752525.db2.gz DPADMHAUQAPGFI-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc[nH+]1 ZINC000792112705 1278550111 /nfs/dbraw/zinc/55/01/11/1278550111.db2.gz XWFNACUAHSHVAT-UHFFFAOYSA-N 1 2 339.254 2.530 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CCc2[nH]cc[nH+]2)c1 ZINC001109432902 1274270089 /nfs/dbraw/zinc/27/00/89/1274270089.db2.gz NNVGKZSPCNDGNE-UHFFFAOYSA-N 1 2 345.403 2.520 20 5 EFBDLO C[C@]1(O)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769468897 1274323169 /nfs/dbraw/zinc/32/31/69/1274323169.db2.gz QIPLWIVSOKYNIT-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@]1(O)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769468897 1274323176 /nfs/dbraw/zinc/32/31/76/1274323176.db2.gz QIPLWIVSOKYNIT-ZDUSSCGKSA-N 1 2 329.194 2.704 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3F)[nH+]c12 ZINC000746539122 1275061856 /nfs/dbraw/zinc/06/18/56/1275061856.db2.gz CWPZBIIZDZQYKP-UHFFFAOYSA-N 1 2 342.330 2.663 20 5 EFBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000785837002 1275203293 /nfs/dbraw/zinc/20/32/93/1275203293.db2.gz KTYMRKAHJYRSPU-ZJUUUORDSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1C ZINC000785837002 1275203305 /nfs/dbraw/zinc/20/33/05/1275203305.db2.gz KTYMRKAHJYRSPU-ZJUUUORDSA-N 1 2 328.210 2.886 20 5 EFBDLO CC1(C)C[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000785908659 1275240705 /nfs/dbraw/zinc/24/07/05/1275240705.db2.gz WQHIVJBJBGTVLG-ZDUSSCGKSA-N 1 2 345.355 2.895 20 5 EFBDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746661569 1275713506 /nfs/dbraw/zinc/71/35/06/1275713506.db2.gz INCGOTMETZLFIT-UHFFFAOYSA-N 1 2 327.812 2.986 20 5 EFBDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746661569 1275713513 /nfs/dbraw/zinc/71/35/13/1275713513.db2.gz INCGOTMETZLFIT-UHFFFAOYSA-N 1 2 327.812 2.986 20 5 EFBDLO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnnn1C1CC1 ZINC000788600627 1276236696 /nfs/dbraw/zinc/23/66/96/1276236696.db2.gz KUJCOKFRMKZIAB-BONVTDFDSA-N 1 2 342.403 2.989 20 5 EFBDLO Cc1c(Cl)cccc1N1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000789452991 1276736552 /nfs/dbraw/zinc/73/65/52/1276736552.db2.gz HQKBPXPSSPAUBU-UHFFFAOYSA-N 1 2 349.822 2.923 20 5 EFBDLO Cc1c(Cl)cccc1N1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000789452991 1276736559 /nfs/dbraw/zinc/73/65/59/1276736559.db2.gz HQKBPXPSSPAUBU-UHFFFAOYSA-N 1 2 349.822 2.923 20 5 EFBDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819410129 1276754644 /nfs/dbraw/zinc/75/46/44/1276754644.db2.gz XLIHDXSIDNCXKG-INIZCTEOSA-N 1 2 345.399 2.821 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351777 1279058923 /nfs/dbraw/zinc/05/89/23/1279058923.db2.gz IPLMPIKIHDBPPV-WFASDCNBSA-N 1 2 336.388 2.562 20 5 EFBDLO CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351777 1279058927 /nfs/dbraw/zinc/05/89/27/1279058927.db2.gz IPLMPIKIHDBPPV-WFASDCNBSA-N 1 2 336.388 2.562 20 5 EFBDLO Cc1c(CNc2ccc(N3CCOCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000871861480 1287327602 /nfs/dbraw/zinc/32/76/02/1287327602.db2.gz JTKMROQOMGJSCC-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000793298382 1279507140 /nfs/dbraw/zinc/50/71/40/1279507140.db2.gz FIOGJCBJAFIALE-UHFFFAOYSA-N 1 2 345.355 2.554 20 5 EFBDLO C[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)n1cc[nH+]c1 ZINC000845283741 1279533528 /nfs/dbraw/zinc/53/35/28/1279533528.db2.gz ZFRLPTQZACZKNK-SNVBAGLBSA-N 1 2 330.300 2.627 20 5 EFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000793500749 1279728741 /nfs/dbraw/zinc/72/87/41/1279728741.db2.gz WQVHJNMDQDRRPK-UHFFFAOYSA-N 1 2 341.154 2.754 20 5 EFBDLO Cc1cnc(OC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)nc1 ZINC000847032759 1280713984 /nfs/dbraw/zinc/71/39/84/1280713984.db2.gz FEERBUFJMSZTHO-UHFFFAOYSA-N 1 2 346.362 2.876 20 5 EFBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197801 1281583430 /nfs/dbraw/zinc/58/34/30/1281583430.db2.gz KMIPOJRGPZAPEZ-HZPDHXFCSA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000808197801 1281583434 /nfs/dbraw/zinc/58/34/34/1281583434.db2.gz KMIPOJRGPZAPEZ-HZPDHXFCSA-N 1 2 330.388 2.927 20 5 EFBDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596277 1287623954 /nfs/dbraw/zinc/62/39/54/1287623954.db2.gz PGIDUUGQPSDURJ-GFCCVEGCSA-N 1 2 338.371 2.609 20 5 EFBDLO Cc1cc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000810789859 1283593509 /nfs/dbraw/zinc/59/35/09/1283593509.db2.gz LLDKBORAVWVUER-NSHDSACASA-N 1 2 342.311 2.995 20 5 EFBDLO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000811483343 1284342686 /nfs/dbraw/zinc/34/26/86/1284342686.db2.gz GAJHFGHGEBDVQG-TVQRCGJNSA-N 1 2 348.230 2.710 20 5 EFBDLO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000811483343 1284342694 /nfs/dbraw/zinc/34/26/94/1284342694.db2.gz GAJHFGHGEBDVQG-TVQRCGJNSA-N 1 2 348.230 2.710 20 5 EFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000811780244 1284596542 /nfs/dbraw/zinc/59/65/42/1284596542.db2.gz MBDNNECCZBKHOX-UHFFFAOYSA-N 1 2 345.334 2.909 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2c1 ZINC000811801845 1284633669 /nfs/dbraw/zinc/63/36/69/1284633669.db2.gz OHDOWXYSGRTBBU-AWEZNQCLSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2c1 ZINC000811801845 1284633684 /nfs/dbraw/zinc/63/36/84/1284633684.db2.gz OHDOWXYSGRTBBU-AWEZNQCLSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2c1 ZINC000811790863 1284653738 /nfs/dbraw/zinc/65/37/38/1284653738.db2.gz ONXSXUNDTRKQRH-IAGOWNOFSA-N 1 2 342.399 2.936 20 5 EFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2c1 ZINC000811790863 1284653744 /nfs/dbraw/zinc/65/37/44/1284653744.db2.gz ONXSXUNDTRKQRH-IAGOWNOFSA-N 1 2 342.399 2.936 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001094235582 1284866869 /nfs/dbraw/zinc/86/68/69/1284866869.db2.gz FGJPOLBEWOTHAR-UHFFFAOYSA-N 1 2 339.355 2.621 20 5 EFBDLO Cc1cccn2cc(Cc3nc(CCC(C)(C)[N+](=O)[O-])no3)[nH+]c12 ZINC000812814037 1285428733 /nfs/dbraw/zinc/42/87/33/1285428733.db2.gz UHTBYUDKANASIA-UHFFFAOYSA-N 1 2 329.360 2.604 20 5 EFBDLO Cc1occc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170553 1285702629 /nfs/dbraw/zinc/70/26/29/1285702629.db2.gz QJOGLIKYUHSKBN-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1occc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170553 1285702639 /nfs/dbraw/zinc/70/26/39/1285702639.db2.gz QJOGLIKYUHSKBN-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1nc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171977 1285703019 /nfs/dbraw/zinc/70/30/19/1285703019.db2.gz YPGCCMUWXIIENJ-HNNXBMFYSA-N 1 2 345.355 2.631 20 5 EFBDLO Cc1nc(C)c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171977 1285703025 /nfs/dbraw/zinc/70/30/25/1285703025.db2.gz YPGCCMUWXIIENJ-HNNXBMFYSA-N 1 2 345.355 2.631 20 5 EFBDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)ns1 ZINC000813174394 1285704599 /nfs/dbraw/zinc/70/45/99/1285704599.db2.gz RANIIOODAJRVBD-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)ns1 ZINC000813174394 1285704607 /nfs/dbraw/zinc/70/46/07/1285704607.db2.gz RANIIOODAJRVBD-AWEZNQCLSA-N 1 2 347.396 2.791 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](CO)CC(F)(F)C1)CC2 ZINC001172905038 1286309220 /nfs/dbraw/zinc/30/92/20/1286309220.db2.gz QHNBIFQWGOHKDY-IUODEOHRSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](CO)CC(F)(F)C1)CC2 ZINC001172905038 1286309224 /nfs/dbraw/zinc/30/92/24/1286309224.db2.gz QHNBIFQWGOHKDY-IUODEOHRSA-N 1 2 340.370 2.792 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)nc1 ZINC001212696230 1286370461 /nfs/dbraw/zinc/37/04/61/1286370461.db2.gz BISPUPFTCSTOFB-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO O=C(Cc1c[nH]c[nH+]1)NCCCCCCNc1ccccc1[N+](=O)[O-] ZINC001095001797 1286400342 /nfs/dbraw/zinc/40/03/42/1286400342.db2.gz TUOPRUBFCAFYGT-UHFFFAOYSA-N 1 2 345.403 2.649 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1F ZINC001173183235 1286456765 /nfs/dbraw/zinc/45/67/65/1286456765.db2.gz XQCCTOFVPYMMOV-MPPDQPJWSA-N 1 2 326.343 2.963 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1F ZINC001173183235 1286456769 /nfs/dbraw/zinc/45/67/69/1286456769.db2.gz XQCCTOFVPYMMOV-MPPDQPJWSA-N 1 2 326.343 2.963 20 5 EFBDLO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001173193786 1286459159 /nfs/dbraw/zinc/45/91/59/1286459159.db2.gz QUSSZHBGTVYRTI-MNOVXSKESA-N 1 2 342.367 2.557 20 5 EFBDLO CC[N@@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001173193786 1286459163 /nfs/dbraw/zinc/45/91/63/1286459163.db2.gz QUSSZHBGTVYRTI-MNOVXSKESA-N 1 2 342.367 2.557 20 5 EFBDLO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001173193789 1286459202 /nfs/dbraw/zinc/45/92/02/1286459202.db2.gz QUSSZHBGTVYRTI-QWRGUYRKSA-N 1 2 342.367 2.557 20 5 EFBDLO CC[N@@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001173193789 1286459210 /nfs/dbraw/zinc/45/92/10/1286459210.db2.gz QUSSZHBGTVYRTI-QWRGUYRKSA-N 1 2 342.367 2.557 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001173226525 1286480647 /nfs/dbraw/zinc/48/06/47/1286480647.db2.gz KDZWJHZNLQKCFD-LBPRGKRZSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001173226525 1286480651 /nfs/dbraw/zinc/48/06/51/1286480651.db2.gz KDZWJHZNLQKCFD-LBPRGKRZSA-N 1 2 327.388 2.511 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001173233570 1286484173 /nfs/dbraw/zinc/48/41/73/1286484173.db2.gz XJEBDTYQHTUFCT-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001173233570 1286484178 /nfs/dbraw/zinc/48/41/78/1286484178.db2.gz XJEBDTYQHTUFCT-RDTXWAMCSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC000814929250 1287162233 /nfs/dbraw/zinc/16/22/33/1287162233.db2.gz PQWRKOFMZLEWPT-AOOOYVTPSA-N 1 2 328.210 2.886 20 5 EFBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1C ZINC000814929250 1287162237 /nfs/dbraw/zinc/16/22/37/1287162237.db2.gz PQWRKOFMZLEWPT-AOOOYVTPSA-N 1 2 328.210 2.886 20 5 EFBDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824498089 1289690867 /nfs/dbraw/zinc/69/08/67/1289690867.db2.gz WCMOCWFBTBRRTP-UHFFFAOYSA-N 1 2 341.415 2.528 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000824616693 1289728698 /nfs/dbraw/zinc/72/86/98/1289728698.db2.gz ZXAWWQVNCSHBIW-ZDUSSCGKSA-N 1 2 341.795 2.911 20 5 EFBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000824616693 1289728704 /nfs/dbraw/zinc/72/87/04/1289728704.db2.gz ZXAWWQVNCSHBIW-ZDUSSCGKSA-N 1 2 341.795 2.911 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000873747193 1290039926 /nfs/dbraw/zinc/03/99/26/1290039926.db2.gz JEPHJUSWISYJBL-UHFFFAOYSA-N 1 2 340.383 2.569 20 5 EFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC000877086986 1291131130 /nfs/dbraw/zinc/13/11/30/1291131130.db2.gz DJXHGXOQQOBMIJ-UHFFFAOYSA-N 1 2 335.747 2.704 20 5 EFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000795712766 1291282108 /nfs/dbraw/zinc/28/21/08/1291282108.db2.gz XVAJZGQEGHCPFC-UHFFFAOYSA-N 1 2 345.355 2.812 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796162849 1292166119 /nfs/dbraw/zinc/16/61/19/1292166119.db2.gz LJJJGRWBADGJFW-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796162849 1292166125 /nfs/dbraw/zinc/16/61/25/1292166125.db2.gz LJJJGRWBADGJFW-AWEZNQCLSA-N 1 2 339.367 2.835 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757635 1292256367 /nfs/dbraw/zinc/25/63/67/1292256367.db2.gz YWEBMYQRGRVMAH-UHFFFAOYSA-N 1 2 349.431 2.684 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757635 1292256373 /nfs/dbraw/zinc/25/63/73/1292256373.db2.gz YWEBMYQRGRVMAH-UHFFFAOYSA-N 1 2 349.431 2.684 20 5 EFBDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879760590 1292259886 /nfs/dbraw/zinc/25/98/86/1292259886.db2.gz GVLORBCUYNFSAS-UHFFFAOYSA-N 1 2 337.395 2.814 20 5 EFBDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879760590 1292259895 /nfs/dbraw/zinc/25/98/95/1292259895.db2.gz GVLORBCUYNFSAS-UHFFFAOYSA-N 1 2 337.395 2.814 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880234734 1292422158 /nfs/dbraw/zinc/42/21/58/1292422158.db2.gz VCEGFOJKLDIAKQ-LBPRGKRZSA-N 1 2 339.367 2.614 20 5 EFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880234734 1292422163 /nfs/dbraw/zinc/42/21/63/1292422163.db2.gz VCEGFOJKLDIAKQ-LBPRGKRZSA-N 1 2 339.367 2.614 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880234766 1292422542 /nfs/dbraw/zinc/42/25/42/1292422542.db2.gz VUGDIFHLJZHDIK-JTQLQIEISA-N 1 2 329.759 2.868 20 5 EFBDLO O=C(C[N@H+]1CCC[C@@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880234766 1292422546 /nfs/dbraw/zinc/42/25/46/1292422546.db2.gz VUGDIFHLJZHDIK-JTQLQIEISA-N 1 2 329.759 2.868 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880234767 1292422689 /nfs/dbraw/zinc/42/26/89/1292422689.db2.gz VUGDIFHLJZHDIK-SNVBAGLBSA-N 1 2 329.759 2.868 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H](CF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880234767 1292422693 /nfs/dbraw/zinc/42/26/93/1292422693.db2.gz VUGDIFHLJZHDIK-SNVBAGLBSA-N 1 2 329.759 2.868 20 5 EFBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233556426 1312956600 /nfs/dbraw/zinc/95/66/00/1312956600.db2.gz MHJTVUGSHPKWKZ-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233556426 1312956603 /nfs/dbraw/zinc/95/66/03/1312956603.db2.gz MHJTVUGSHPKWKZ-MRXNPFEDSA-N 1 2 343.383 2.578 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](CF)C1 ZINC000881603580 1292944870 /nfs/dbraw/zinc/94/48/70/1292944870.db2.gz VCEOZVCRKFEXML-LBPRGKRZSA-N 1 2 332.335 2.602 20 5 EFBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000882103999 1293100961 /nfs/dbraw/zinc/10/09/61/1293100961.db2.gz KBYCRQOPFKBFCW-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001233903529 1313015078 /nfs/dbraw/zinc/01/50/78/1313015078.db2.gz VAZONRYCGGLZGT-GFCCVEGCSA-N 1 2 345.168 2.969 20 5 EFBDLO COC(=O)c1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001234048602 1313045314 /nfs/dbraw/zinc/04/53/14/1313045314.db2.gz NEVIPTUCBVMSDC-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000885933346 1294568808 /nfs/dbraw/zinc/56/88/08/1294568808.db2.gz QZSBPADIJGWLTR-CQSZACIVSA-N 1 2 329.356 2.652 20 5 EFBDLO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000885933346 1294568810 /nfs/dbraw/zinc/56/88/10/1294568810.db2.gz QZSBPADIJGWLTR-CQSZACIVSA-N 1 2 329.356 2.652 20 5 EFBDLO Cc1cccc(N2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1C ZINC000885949509 1294583177 /nfs/dbraw/zinc/58/31/77/1294583177.db2.gz ZGHUYDOHHALNQD-UHFFFAOYSA-N 1 2 326.400 2.929 20 5 EFBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886048937 1294645083 /nfs/dbraw/zinc/64/50/83/1294645083.db2.gz AYVBIBDRHHQCNT-UHFFFAOYSA-N 1 2 340.383 2.514 20 5 EFBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886048937 1294645095 /nfs/dbraw/zinc/64/50/95/1294645095.db2.gz AYVBIBDRHHQCNT-UHFFFAOYSA-N 1 2 340.383 2.514 20 5 EFBDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886049723 1294646244 /nfs/dbraw/zinc/64/62/44/1294646244.db2.gz SXVFMKKVPFCHAT-UHFFFAOYSA-N 1 2 341.367 2.790 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000886175190 1294752982 /nfs/dbraw/zinc/75/29/82/1294752982.db2.gz SNWKXMAWXXUVAX-ZDUSSCGKSA-N 1 2 332.335 2.567 20 5 EFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000886175190 1294752995 /nfs/dbraw/zinc/75/29/95/1294752995.db2.gz SNWKXMAWXXUVAX-ZDUSSCGKSA-N 1 2 332.335 2.567 20 5 EFBDLO O=[N+]([O-])c1ncccc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000886178767 1294753328 /nfs/dbraw/zinc/75/33/28/1294753328.db2.gz FJXHUXULYXYBRO-UHFFFAOYSA-N 1 2 341.415 2.902 20 5 EFBDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cccc([N+](=O)[O-])c1 ZINC001204449997 1313141800 /nfs/dbraw/zinc/14/18/00/1313141800.db2.gz HBWQVTVVHCNHKH-UHFFFAOYSA-N 1 2 339.355 2.824 20 5 EFBDLO O=[N+]([O-])c1ccc([C@@H](O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000776279817 1297356741 /nfs/dbraw/zinc/35/67/41/1297356741.db2.gz ZMTIBEZFWLRBCZ-INIZCTEOSA-N 1 2 325.324 2.893 20 5 EFBDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597189 1299714665 /nfs/dbraw/zinc/71/46/65/1299714665.db2.gz HUOSCVOXSCUKFR-HNNXBMFYSA-N 1 2 338.404 2.680 20 5 EFBDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597189 1299714671 /nfs/dbraw/zinc/71/46/71/1299714671.db2.gz HUOSCVOXSCUKFR-HNNXBMFYSA-N 1 2 338.404 2.680 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776607861 1299781853 /nfs/dbraw/zinc/78/18/53/1299781853.db2.gz LCUNTBZAPUSOBT-RTBURBONSA-N 1 2 342.395 2.572 20 5 EFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776607861 1299781857 /nfs/dbraw/zinc/78/18/57/1299781857.db2.gz LCUNTBZAPUSOBT-RTBURBONSA-N 1 2 342.395 2.572 20 5 EFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCSC1 ZINC000852747406 1299857356 /nfs/dbraw/zinc/85/73/56/1299857356.db2.gz HJBZSUGPDOEUKN-UHFFFAOYSA-N 1 2 341.820 2.792 20 5 EFBDLO 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ZINC001029252304 723178409 /nfs/dbraw/zinc/17/84/09/723178409.db2.gz YDVYEGOSZYFBPQ-HDICACEKSA-N 1 2 341.411 2.736 20 5 EFBDLO O=C(C1CC=CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029252304 723178411 /nfs/dbraw/zinc/17/84/11/723178411.db2.gz YDVYEGOSZYFBPQ-HDICACEKSA-N 1 2 341.411 2.736 20 5 EFBDLO CC[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000727825423 723178867 /nfs/dbraw/zinc/17/88/67/723178867.db2.gz QRFHRCFGNZXMTN-CQSZACIVSA-N 1 2 328.372 2.650 20 5 EFBDLO CC[C@@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000727825423 723178872 /nfs/dbraw/zinc/17/88/72/723178872.db2.gz QRFHRCFGNZXMTN-CQSZACIVSA-N 1 2 328.372 2.650 20 5 EFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC000896654760 723426086 /nfs/dbraw/zinc/42/60/86/723426086.db2.gz SBIDJHVVHMGNSC-UHFFFAOYSA-N 1 2 331.376 2.556 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001029424159 724037626 /nfs/dbraw/zinc/03/76/26/724037626.db2.gz QUFYMBISYZZIHG-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001029424159 724037629 /nfs/dbraw/zinc/03/76/29/724037629.db2.gz QUFYMBISYZZIHG-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895349424 724061192 /nfs/dbraw/zinc/06/11/92/724061192.db2.gz LPTGKJCJZZQZON-UHFFFAOYSA-N 1 2 330.392 2.596 20 5 EFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895352334 724063340 /nfs/dbraw/zinc/06/33/40/724063340.db2.gz IVMXBAWAAJZWLQ-UHFFFAOYSA-N 1 2 330.392 2.596 20 5 EFBDLO Cn1cc[nH+]c1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444794989 728869889 /nfs/dbraw/zinc/86/98/89/728869889.db2.gz UFEGKODOGAEWRB-LBPRGKRZSA-N 1 2 340.387 2.584 20 5 EFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC(C)(C)O1 ZINC000728899125 724876978 /nfs/dbraw/zinc/87/69/78/724876978.db2.gz ORADGTSCCMWAPY-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC(C)(C)O1 ZINC000728899125 724876981 /nfs/dbraw/zinc/87/69/81/724876981.db2.gz ORADGTSCCMWAPY-CYBMUJFWSA-N 1 2 330.388 2.915 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455057 726868197 /nfs/dbraw/zinc/86/81/97/726868197.db2.gz ASTRRPCDTQGIPH-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910791115 727464013 /nfs/dbraw/zinc/46/40/13/727464013.db2.gz UOWIVTIDXXHSGQ-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910791115 727464014 /nfs/dbraw/zinc/46/40/14/727464014.db2.gz UOWIVTIDXXHSGQ-UHFFFAOYSA-N 1 2 337.379 2.695 20 5 EFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653946 727732985 /nfs/dbraw/zinc/73/29/85/727732985.db2.gz XFBGFLIHLZDUDR-CQSZACIVSA-N 1 2 340.383 2.723 20 5 EFBDLO Cc1cccc(C[N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000917487389 727813885 /nfs/dbraw/zinc/81/38/85/727813885.db2.gz ZMCJIEDQPSBIJM-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO Cc1cccc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000917487389 727813887 /nfs/dbraw/zinc/81/38/87/727813887.db2.gz ZMCJIEDQPSBIJM-UHFFFAOYSA-N 1 2 327.340 2.901 20 5 EFBDLO C[N@H+](CC1CCCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821543 728112725 /nfs/dbraw/zinc/11/27/25/728112725.db2.gz QZBGIJKLPIMVFY-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO C[N@@H+](CC1CCCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821543 728112726 /nfs/dbraw/zinc/11/27/26/728112726.db2.gz QZBGIJKLPIMVFY-UHFFFAOYSA-N 1 2 342.399 2.898 20 5 EFBDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000920767524 729229642 /nfs/dbraw/zinc/22/96/42/729229642.db2.gz FXSBGQQEYPEHOT-HNNXBMFYSA-N 1 2 330.388 2.944 20 5 EFBDLO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000920768641 729229961 /nfs/dbraw/zinc/22/99/61/729229961.db2.gz VNJBLPXQWRPGDS-HNNXBMFYSA-N 1 2 330.388 2.944 20 5 EFBDLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174949842 729467287 /nfs/dbraw/zinc/46/72/87/729467287.db2.gz SORHCEPNXNLRPR-QWHCGFSZSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174949842 729467288 /nfs/dbraw/zinc/46/72/88/729467288.db2.gz SORHCEPNXNLRPR-QWHCGFSZSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001576179203 1088981822 /nfs/dbraw/zinc/98/18/22/1088981822.db2.gz AVKNNCSEXJJYCS-BJOHPYRUSA-N 1 2 335.310 2.750 20 5 EFBDLO C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001579406625 1090606451 /nfs/dbraw/zinc/60/64/51/1090606451.db2.gz UBWRGMSMWUHAHM-PSLIRLAXSA-N 1 2 335.310 2.750 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000843764759 1099727029 /nfs/dbraw/zinc/72/70/29/1099727029.db2.gz VQNABSNLWISRCK-UHFFFAOYSA-N 1 2 346.362 2.548 20 5 EFBDLO O=C(OCC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000784950013 1101612380 /nfs/dbraw/zinc/61/23/80/1101612380.db2.gz XRQNMZLTFBXICB-CQSZACIVSA-N 1 2 345.355 2.897 20 5 EFBDLO COc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000906355953 1104147004 /nfs/dbraw/zinc/14/70/04/1104147004.db2.gz LSISKZJDJXEKSQ-UHFFFAOYSA-N 1 2 329.356 2.854 20 5 EFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587676 1104310747 /nfs/dbraw/zinc/31/07/47/1104310747.db2.gz CQGYDOWFSHGAGF-NVXWUHKLSA-N 1 2 342.374 2.807 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000843786927 1104548763 /nfs/dbraw/zinc/54/87/63/1104548763.db2.gz IKENBFOEANHSIK-LLVKDONJSA-N 1 2 332.335 2.785 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897561666 1105745271 /nfs/dbraw/zinc/74/52/71/1105745271.db2.gz ANIPPWHBGVLNPQ-BLSFAOBESA-N 1 2 342.399 2.805 20 5 EFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897561666 1105745276 /nfs/dbraw/zinc/74/52/76/1105745276.db2.gz ANIPPWHBGVLNPQ-BLSFAOBESA-N 1 2 342.399 2.805 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897561667 1105745829 /nfs/dbraw/zinc/74/58/29/1105745829.db2.gz ANIPPWHBGVLNPQ-MDNBWPLSSA-N 1 2 342.399 2.805 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897561667 1105745832 /nfs/dbraw/zinc/74/58/32/1105745832.db2.gz ANIPPWHBGVLNPQ-MDNBWPLSSA-N 1 2 342.399 2.805 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897567642 1105754053 /nfs/dbraw/zinc/75/40/53/1105754053.db2.gz LTNKIZGRJOTRJU-QGZVFWFLSA-N 1 2 330.388 2.519 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897567642 1105754058 /nfs/dbraw/zinc/75/40/58/1105754058.db2.gz LTNKIZGRJOTRJU-QGZVFWFLSA-N 1 2 330.388 2.519 20 5 EFBDLO Cc1nn(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729853100 1107706828 /nfs/dbraw/zinc/70/68/28/1107706828.db2.gz YLHIZYFNHGLILB-MRXNPFEDSA-N 1 2 330.388 2.829 20 5 EFBDLO Cc1nn(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729853100 1107706840 /nfs/dbraw/zinc/70/68/40/1107706840.db2.gz YLHIZYFNHGLILB-MRXNPFEDSA-N 1 2 330.388 2.829 20 5 EFBDLO Nc1ccc2n(C(=O)[C@@H]3CC4CC[NH+]3CC4)c3ccccc3cc-2c1=O ZINC001142633249 1109350676 /nfs/dbraw/zinc/35/06/76/1109350676.db2.gz MSFMCYBKJSGWHQ-IBGZPJMESA-N 1 2 347.418 2.813 20 5 EFBDLO O=[N+]([O-])c1cccc([C@H](O)COc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000153297820 1111315564 /nfs/dbraw/zinc/31/55/64/1111315564.db2.gz MUSUOTJZQRQACG-QGZVFWFLSA-N 1 2 325.324 2.893 20 5 EFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051231300 214083809 /nfs/dbraw/zinc/08/38/09/214083809.db2.gz BKBNZCLKMKNCJT-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051231300 214083812 /nfs/dbraw/zinc/08/38/12/214083812.db2.gz BKBNZCLKMKNCJT-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000054220754 214224343 /nfs/dbraw/zinc/22/43/43/214224343.db2.gz PWHJGPAGGKCMBV-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000054220754 214224345 /nfs/dbraw/zinc/22/43/45/214224345.db2.gz PWHJGPAGGKCMBV-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO CSc1cccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456430670 295680806 /nfs/dbraw/zinc/68/08/06/295680806.db2.gz SFVQGUJXNJUIST-GXSJLCMTSA-N 1 2 332.385 2.949 20 5 EFBDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130725745 529922112 /nfs/dbraw/zinc/92/21/12/529922112.db2.gz JBCUCXDANNCCBU-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130725745 529922113 /nfs/dbraw/zinc/92/21/13/529922113.db2.gz JBCUCXDANNCCBU-UHFFFAOYSA-N 1 2 341.795 2.545 20 5 EFBDLO C[C@H](N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178249215 232118013 /nfs/dbraw/zinc/11/80/13/232118013.db2.gz WLJVBXDCUZWONL-LBPRGKRZSA-N 1 2 347.337 2.542 20 5 EFBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000181782937 234321742 /nfs/dbraw/zinc/32/17/42/234321742.db2.gz BYJGKZPDSRHANK-ZDUSSCGKSA-N 1 2 340.426 2.532 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000183849030 235242838 /nfs/dbraw/zinc/24/28/38/235242838.db2.gz JEDBIFQKWLJNIQ-LBPRGKRZSA-N 1 2 345.403 2.772 20 5 EFBDLO Cc1c(-c2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cnn1C ZINC000184407354 235389890 /nfs/dbraw/zinc/38/98/90/235389890.db2.gz JOJHFDKAERIKNS-UHFFFAOYSA-N 1 2 341.371 2.924 20 5 EFBDLO Cc1c(-c2cc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cnn1C ZINC000184407354 235389892 /nfs/dbraw/zinc/38/98/92/235389892.db2.gz JOJHFDKAERIKNS-UHFFFAOYSA-N 1 2 341.371 2.924 20 5 EFBDLO Cc1cc(N(C)[C@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000129646167 223077408 /nfs/dbraw/zinc/07/74/08/223077408.db2.gz DFAVUFWZXFNPLW-OIRASMEMSA-N 1 2 348.428 2.563 20 5 EFBDLO Cc1cc(N(C)[C@@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000129645971 223077201 /nfs/dbraw/zinc/07/72/01/223077201.db2.gz DFAVUFWZXFNPLW-FNODVLLQSA-N 1 2 348.428 2.563 20 5 EFBDLO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159284067 239024773 /nfs/dbraw/zinc/02/47/73/239024773.db2.gz NUNQCTAGOBNNSX-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159284067 239024775 /nfs/dbraw/zinc/02/47/75/239024775.db2.gz NUNQCTAGOBNNSX-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000177390106 239371509 /nfs/dbraw/zinc/37/15/09/239371509.db2.gz IFQGGZXLOQHGBD-MRXNPFEDSA-N 1 2 333.775 2.739 20 5 EFBDLO COc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000192526340 240049227 /nfs/dbraw/zinc/04/92/27/240049227.db2.gz XOQVQMXVDYGZMF-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1[nH]cc[nH+]1 ZINC000412280980 243244749 /nfs/dbraw/zinc/24/47/49/243244749.db2.gz ZSDDKYQOALNYNZ-GFCCVEGCSA-N 1 2 332.360 2.986 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000412392987 243301089 /nfs/dbraw/zinc/30/10/89/243301089.db2.gz COFRFKVEUCCKPV-AQNFWKISSA-N 1 2 326.356 2.717 20 5 EFBDLO CCC[C@@H]([NH2+]Cc1nc2ncccn2n1)c1cccc([N+](=O)[O-])c1 ZINC000414272074 244072031 /nfs/dbraw/zinc/07/20/31/244072031.db2.gz RCBSPBACLWNNLL-CQSZACIVSA-N 1 2 326.360 2.664 20 5 EFBDLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414537873 244218049 /nfs/dbraw/zinc/21/80/49/244218049.db2.gz AFAZTFURXLGWPK-LLVKDONJSA-N 1 2 348.428 2.721 20 5 EFBDLO [NH3+]C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCCC1 ZINC000414630300 244261302 /nfs/dbraw/zinc/26/13/02/244261302.db2.gz SYJUFOVLHBSQBF-UHFFFAOYSA-N 1 2 340.343 2.763 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000418935450 245315710 /nfs/dbraw/zinc/31/57/10/245315710.db2.gz AXRGVXVNIPZDLN-SFHVURJKSA-N 1 2 349.431 2.803 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419298342 245371306 /nfs/dbraw/zinc/37/13/06/245371306.db2.gz GFHSJOLRWUNJNC-UHFFFAOYSA-N 1 2 347.415 2.875 20 5 EFBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078543368 217071914 /nfs/dbraw/zinc/07/19/14/217071914.db2.gz HJQILGYYBAYNBM-NSHDSACASA-N 1 2 346.353 2.661 20 5 EFBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000111271154 220128642 /nfs/dbraw/zinc/12/86/42/220128642.db2.gz NYBQHQWUNHHYNC-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000111271154 220128644 /nfs/dbraw/zinc/12/86/44/220128644.db2.gz NYBQHQWUNHHYNC-UHFFFAOYSA-N 1 2 346.383 2.607 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000157882925 296202164 /nfs/dbraw/zinc/20/21/64/296202164.db2.gz KQMAHVGGLNKKJB-UHFFFAOYSA-N 1 2 326.356 2.797 20 5 EFBDLO Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000264160085 246123385 /nfs/dbraw/zinc/12/33/85/246123385.db2.gz KBMHRTUUSQCSIR-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO Cc1c(C(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000264173827 246139597 /nfs/dbraw/zinc/13/95/97/246139597.db2.gz MMWKWCKXADDQAS-UHFFFAOYSA-N 1 2 328.372 2.920 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425350076 247053757 /nfs/dbraw/zinc/05/37/57/247053757.db2.gz LCALEEPIKUQEJE-GASCZTMLSA-N 1 2 348.305 2.897 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425350076 247053763 /nfs/dbraw/zinc/05/37/63/247053763.db2.gz LCALEEPIKUQEJE-GASCZTMLSA-N 1 2 348.305 2.897 20 5 EFBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462025 247093534 /nfs/dbraw/zinc/09/35/34/247093534.db2.gz TYLQYPZYTZCPKT-UGZDLDLSSA-N 1 2 349.250 2.556 20 5 EFBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462025 247093537 /nfs/dbraw/zinc/09/35/37/247093537.db2.gz TYLQYPZYTZCPKT-UGZDLDLSSA-N 1 2 349.250 2.556 20 5 EFBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462026 247093567 /nfs/dbraw/zinc/09/35/67/247093567.db2.gz TYLQYPZYTZCPKT-ZRNGKTOUSA-N 1 2 349.250 2.556 20 5 EFBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462026 247093571 /nfs/dbraw/zinc/09/35/71/247093571.db2.gz TYLQYPZYTZCPKT-ZRNGKTOUSA-N 1 2 349.250 2.556 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426240581 247252412 /nfs/dbraw/zinc/25/24/12/247252412.db2.gz WAAHANKMFCBNEQ-UHFFFAOYSA-N 1 2 330.331 2.586 20 5 EFBDLO Cc1ccnc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000265196263 247288739 /nfs/dbraw/zinc/28/87/39/247288739.db2.gz LYOIXJQQQFGHOD-CYBMUJFWSA-N 1 2 343.387 2.530 20 5 EFBDLO COCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000444689579 250328244 /nfs/dbraw/zinc/32/82/44/250328244.db2.gz OIJKMFRGGQBQMD-ZDUSSCGKSA-N 1 2 330.344 2.932 20 5 EFBDLO CN(C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000444687208 250328668 /nfs/dbraw/zinc/32/86/68/250328668.db2.gz AFHQQQXRHOZTRL-UHFFFAOYSA-N 1 2 349.337 2.968 20 5 EFBDLO CN(C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000444687208 250328671 /nfs/dbraw/zinc/32/86/71/250328671.db2.gz AFHQQQXRHOZTRL-UHFFFAOYSA-N 1 2 349.337 2.968 20 5 EFBDLO CCCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448836999 250817665 /nfs/dbraw/zinc/81/76/65/250817665.db2.gz RDZUBWUWQFDKEE-UHFFFAOYSA-N 1 2 338.314 2.898 20 5 EFBDLO NC(=O)c1cccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000449409888 251016115 /nfs/dbraw/zinc/01/61/15/251016115.db2.gz SDZOFPCZDMEDCC-UHFFFAOYSA-N 1 2 341.367 2.564 20 5 EFBDLO NC(=O)c1cccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000449409888 251016118 /nfs/dbraw/zinc/01/61/18/251016118.db2.gz SDZOFPCZDMEDCC-UHFFFAOYSA-N 1 2 341.367 2.564 20 5 EFBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449528910 251055495 /nfs/dbraw/zinc/05/54/95/251055495.db2.gz SYVSINBZEOLHIL-PMGBHYCQSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449528910 251055497 /nfs/dbraw/zinc/05/54/97/251055497.db2.gz SYVSINBZEOLHIL-PMGBHYCQSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449528908 251056027 /nfs/dbraw/zinc/05/60/27/251056027.db2.gz SYVSINBZEOLHIL-DDJMYBDESA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449528908 251056032 /nfs/dbraw/zinc/05/60/32/251056032.db2.gz SYVSINBZEOLHIL-DDJMYBDESA-N 1 2 338.429 2.507 20 5 EFBDLO COc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c([N+](=O)[O-])cc1OC ZINC000449570149 251069484 /nfs/dbraw/zinc/06/94/84/251069484.db2.gz JCCHEIVDMJRTNL-CMPLNLGQSA-N 1 2 332.360 2.604 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000449606775 251079804 /nfs/dbraw/zinc/07/98/04/251079804.db2.gz ZVUROGVGNVVVBU-AWEZNQCLSA-N 1 2 341.358 2.639 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000449606775 251079810 /nfs/dbraw/zinc/07/98/10/251079810.db2.gz ZVUROGVGNVVVBU-AWEZNQCLSA-N 1 2 341.358 2.639 20 5 EFBDLO CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000450009986 251230507 /nfs/dbraw/zinc/23/05/07/251230507.db2.gz IEDLOWXZNQGDNE-HNNXBMFYSA-N 1 2 346.387 2.571 20 5 EFBDLO CC(C)CSCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450249314 251315387 /nfs/dbraw/zinc/31/53/87/251315387.db2.gz XNQINHPQZFLUML-UHFFFAOYSA-N 1 2 348.428 2.900 20 5 EFBDLO CC[C@@H](CSC)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450384561 251368956 /nfs/dbraw/zinc/36/89/56/251368956.db2.gz BHJZUPXGROTTHU-ZDUSSCGKSA-N 1 2 348.428 2.994 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC000450326527 251347204 /nfs/dbraw/zinc/34/72/04/251347204.db2.gz YSCBQVQLGGJLMZ-STQMWFEESA-N 1 2 328.372 2.899 20 5 EFBDLO CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000450671968 251415619 /nfs/dbraw/zinc/41/56/19/251415619.db2.gz JLHDBXKVMOWJIH-ZDUSSCGKSA-N 1 2 330.344 2.548 20 5 EFBDLO C[C@@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451166606 251466056 /nfs/dbraw/zinc/46/60/56/251466056.db2.gz HDPJHFCGTLNAKI-LBPRGKRZSA-N 1 2 346.412 2.606 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000454373480 252239679 /nfs/dbraw/zinc/23/96/79/252239679.db2.gz USURCHPRNHOPRW-RYUDHWBXSA-N 1 2 331.376 2.933 20 5 EFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268847635 252295512 /nfs/dbraw/zinc/29/55/12/252295512.db2.gz PZNJPUCERNSOAO-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[C@H]1SCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000112644457 220362857 /nfs/dbraw/zinc/36/28/57/220362857.db2.gz UYTVWVAQGWMPKS-WDEREUQCSA-N 1 2 334.401 2.971 20 5 EFBDLO C[C@H]1SCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000112644457 220362859 /nfs/dbraw/zinc/36/28/59/220362859.db2.gz UYTVWVAQGWMPKS-WDEREUQCSA-N 1 2 334.401 2.971 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671256 285155776 /nfs/dbraw/zinc/15/57/76/285155776.db2.gz MLBDYGJWQZHZCW-KOLCDFICSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671256 285155780 /nfs/dbraw/zinc/15/57/80/285155780.db2.gz MLBDYGJWQZHZCW-KOLCDFICSA-N 1 2 336.285 2.727 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456392777 255639540 /nfs/dbraw/zinc/63/95/40/255639540.db2.gz RGDIRAVPWWEYFB-RISCZKNCSA-N 1 2 328.372 2.891 20 5 EFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467994370 256012783 /nfs/dbraw/zinc/01/27/83/256012783.db2.gz OFRKESLJIPJYBO-QGZVFWFLSA-N 1 2 342.395 2.901 20 5 EFBDLO Cc1cccn2cc(Cn3cc(Br)c([N+](=O)[O-])n3)[nH+]c12 ZINC000069775312 258063649 /nfs/dbraw/zinc/06/36/49/258063649.db2.gz WPTPHOHIPCJJMC-UHFFFAOYSA-N 1 2 336.149 2.558 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccncc2[N+](=O)[O-])c1C ZINC000183579309 533407482 /nfs/dbraw/zinc/40/74/82/533407482.db2.gz DNAKNWUKFKTMFK-UHFFFAOYSA-N 1 2 345.359 2.674 20 5 EFBDLO COc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000186046424 533553733 /nfs/dbraw/zinc/55/37/33/533553733.db2.gz HTFQAELFKAGEEN-UHFFFAOYSA-N 1 2 346.305 2.947 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344598497 142046298 /nfs/dbraw/zinc/04/62/98/142046298.db2.gz PQXGUGVMHWULGL-CQSZACIVSA-N 1 2 346.412 2.931 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346040135 142138135 /nfs/dbraw/zinc/13/81/35/142138135.db2.gz RFVQNHYRMVQCSQ-HNNXBMFYSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1c(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000346260363 142178046 /nfs/dbraw/zinc/17/80/46/142178046.db2.gz XHLVHPSWXJYCBA-HNNXBMFYSA-N 1 2 343.387 2.587 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)F)CC2 ZINC000346488917 142211143 /nfs/dbraw/zinc/21/11/43/142211143.db2.gz JTZCGZGGLLAMAF-UHFFFAOYSA-N 1 2 336.285 2.870 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC(F)(F)C(F)F)CC2 ZINC000346488917 142211144 /nfs/dbraw/zinc/21/11/44/142211144.db2.gz JTZCGZGGLLAMAF-UHFFFAOYSA-N 1 2 336.285 2.870 20 5 EFBDLO Cc1cccn2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000347493631 142225877 /nfs/dbraw/zinc/22/58/77/142225877.db2.gz HLVBFEPPSVRNTC-UHFFFAOYSA-N 1 2 328.303 2.620 20 5 EFBDLO Cc1cccc(C[NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000349614740 142340916 /nfs/dbraw/zinc/34/09/16/142340916.db2.gz SKVVSMHNCKIFQJ-UHFFFAOYSA-N 1 2 341.411 2.927 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349848201 142367138 /nfs/dbraw/zinc/36/71/38/142367138.db2.gz IIXHQQHVRCWLJW-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349848201 142367139 /nfs/dbraw/zinc/36/71/39/142367139.db2.gz IIXHQQHVRCWLJW-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO CCCCNc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(N)[nH+]1 ZINC000342559055 145148966 /nfs/dbraw/zinc/14/89/66/145148966.db2.gz FOLKJUIQMMICDY-UHFFFAOYSA-N 1 2 342.403 2.572 20 5 EFBDLO CCCCNc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]c(N)n1 ZINC000342559055 145148967 /nfs/dbraw/zinc/14/89/67/145148967.db2.gz FOLKJUIQMMICDY-UHFFFAOYSA-N 1 2 342.403 2.572 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342646967 145165249 /nfs/dbraw/zinc/16/52/49/145165249.db2.gz DFNUXCBZIWABPL-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342646967 145165250 /nfs/dbraw/zinc/16/52/50/145165250.db2.gz DFNUXCBZIWABPL-NSHDSACASA-N 1 2 333.344 2.655 20 5 EFBDLO CC(=O)c1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000342681873 145171982 /nfs/dbraw/zinc/17/19/82/145171982.db2.gz MBRAIFQJNHGKJY-HNNXBMFYSA-N 1 2 327.340 2.850 20 5 EFBDLO Cc1[nH]c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)cc2[nH+]1 ZINC000342684655 145172577 /nfs/dbraw/zinc/17/25/77/145172577.db2.gz HCISYBDLDOIDLV-UHFFFAOYSA-N 1 2 336.149 2.787 20 5 EFBDLO Cc1[nH]c2cc(Cn3cc(Br)c([N+](=O)[O-])n3)ccc2[nH+]1 ZINC000342684655 145172578 /nfs/dbraw/zinc/17/25/78/145172578.db2.gz HCISYBDLDOIDLV-UHFFFAOYSA-N 1 2 336.149 2.787 20 5 EFBDLO Cc1c[nH+]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000342798389 145195586 /nfs/dbraw/zinc/19/55/86/145195586.db2.gz IXAJMVZXDRMBEK-UHFFFAOYSA-N 1 2 330.388 2.680 20 5 EFBDLO Cc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000342798389 145195588 /nfs/dbraw/zinc/19/55/88/145195588.db2.gz IXAJMVZXDRMBEK-UHFFFAOYSA-N 1 2 330.388 2.680 20 5 EFBDLO CC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000342824629 145202138 /nfs/dbraw/zinc/20/21/38/145202138.db2.gz HFXXRRSYDGHVCJ-UHFFFAOYSA-N 1 2 342.355 2.773 20 5 EFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355226593 146897351 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EFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000351830376 146213251 /nfs/dbraw/zinc/21/32/51/146213251.db2.gz SDYWJCJBRUIDHE-UHFFFAOYSA-N 1 2 335.301 2.804 20 5 EFBDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008883 146263367 /nfs/dbraw/zinc/26/33/67/146263367.db2.gz SACDTDVIYOFWFI-FZMZJTMJSA-N 1 2 339.342 2.677 20 5 EFBDLO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1(F)F ZINC000352008883 146263368 /nfs/dbraw/zinc/26/33/68/146263368.db2.gz SACDTDVIYOFWFI-FZMZJTMJSA-N 1 2 339.342 2.677 20 5 EFBDLO Cc1ccc(Cc2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356116214 147151061 /nfs/dbraw/zinc/15/10/61/147151061.db2.gz UMZOOBAOPMJDOX-UHFFFAOYSA-N 1 2 339.355 2.908 20 5 EFBDLO Cc1ccc(Cc2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)c[nH+]1 ZINC000356141893 147158312 /nfs/dbraw/zinc/15/83/12/147158312.db2.gz DJYYJPIKXDUUBE-UHFFFAOYSA-N 1 2 336.311 2.815 20 5 EFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356358751 147222938 /nfs/dbraw/zinc/22/29/38/147222938.db2.gz ZPMOECSGOJSPRM-UHFFFAOYSA-N 1 2 342.286 2.878 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000359495937 148101377 /nfs/dbraw/zinc/10/13/77/148101377.db2.gz VGRLQDBBGOYJQJ-UHFFFAOYSA-N 1 2 335.404 2.710 20 5 EFBDLO CCC(=O)c1ccc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000359495937 148101380 /nfs/dbraw/zinc/10/13/80/148101380.db2.gz VGRLQDBBGOYJQJ-UHFFFAOYSA-N 1 2 335.404 2.710 20 5 EFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359504826 148103614 /nfs/dbraw/zinc/10/36/14/148103614.db2.gz SFQHFYHUEAVBEY-UHFFFAOYSA-N 1 2 343.368 2.680 20 5 EFBDLO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000359549066 148118773 /nfs/dbraw/zinc/11/87/73/148118773.db2.gz VRTQUEYSPJXICX-DGCLKSJQSA-N 1 2 347.371 2.753 20 5 EFBDLO Cc1ccc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660015 148154102 /nfs/dbraw/zinc/15/41/02/148154102.db2.gz IYQNBGDINXIZHM-LSDHHAIUSA-N 1 2 347.394 2.661 20 5 EFBDLO Cc1ccc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359660015 148154103 /nfs/dbraw/zinc/15/41/03/148154103.db2.gz IYQNBGDINXIZHM-LSDHHAIUSA-N 1 2 347.394 2.661 20 5 EFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1csc([N+](=O)[O-])c1 ZINC000360009404 148248694 /nfs/dbraw/zinc/24/86/94/148248694.db2.gz DXJXKJYQRRMNSM-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066359 148263886 /nfs/dbraw/zinc/26/38/86/148263886.db2.gz OZJCGYYUBGFIGA-NSHDSACASA-N 1 2 346.353 2.580 20 5 EFBDLO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066359 148263888 /nfs/dbraw/zinc/26/38/88/148263888.db2.gz OZJCGYYUBGFIGA-NSHDSACASA-N 1 2 346.353 2.580 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360310204 148327318 /nfs/dbraw/zinc/32/73/18/148327318.db2.gz OBSTXFIHRXNHNX-ZDUSSCGKSA-N 1 2 334.420 2.782 20 5 EFBDLO C[C@@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000364901979 149271888 /nfs/dbraw/zinc/27/18/88/149271888.db2.gz ALZSQRXRHYGYOD-YGRLFVJLSA-N 1 2 332.335 2.924 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000364901976 149271986 /nfs/dbraw/zinc/27/19/86/149271986.db2.gz ALZSQRXRHYGYOD-HZMBPMFUSA-N 1 2 332.335 2.924 20 5 EFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000364906947 149273069 /nfs/dbraw/zinc/27/30/69/149273069.db2.gz RDSUWHFVVBORBN-NSHDSACASA-N 1 2 345.315 2.512 20 5 EFBDLO Cc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1 ZINC000365376577 149381379 /nfs/dbraw/zinc/38/13/79/149381379.db2.gz DOHCNDRPADTYGN-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368688838 150183304 /nfs/dbraw/zinc/18/33/04/150183304.db2.gz QYYVVUKVQIIZSR-AWEZNQCLSA-N 1 2 336.779 2.900 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368688838 150183306 /nfs/dbraw/zinc/18/33/06/150183306.db2.gz QYYVVUKVQIIZSR-AWEZNQCLSA-N 1 2 336.779 2.900 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000369196811 150298763 /nfs/dbraw/zinc/29/87/63/150298763.db2.gz NYHRQVIDDNAUQX-JTQLQIEISA-N 1 2 334.763 2.991 20 5 EFBDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000369354637 150334244 /nfs/dbraw/zinc/33/42/44/150334244.db2.gz SMFGSHPPZABSBV-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369372195 150338206 /nfs/dbraw/zinc/33/82/06/150338206.db2.gz ZRODMHMQODLKOB-CYBMUJFWSA-N 1 2 328.372 2.657 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000369370174 150338765 /nfs/dbraw/zinc/33/87/65/150338765.db2.gz NPVPVRMUUGLCQW-RZIFZGNASA-N 1 2 340.383 2.748 20 5 EFBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000371418623 150807074 /nfs/dbraw/zinc/80/70/74/150807074.db2.gz DSFYZXUUZXUKJP-MTIYJEKLSA-N 1 2 337.379 2.693 20 5 EFBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000371418623 150807076 /nfs/dbraw/zinc/80/70/76/150807076.db2.gz DSFYZXUUZXUKJP-MTIYJEKLSA-N 1 2 337.379 2.693 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372283756 150977047 /nfs/dbraw/zinc/97/70/47/150977047.db2.gz ZXEBHLRURUTZJJ-CYBMUJFWSA-N 1 2 343.387 2.967 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372994716 151095377 /nfs/dbraw/zinc/09/53/77/151095377.db2.gz FQHRLHPHBMYTSH-UHFFFAOYSA-N 1 2 330.388 2.768 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)n1 ZINC000374074700 151280009 /nfs/dbraw/zinc/28/00/09/151280009.db2.gz MTYXWDLVRUJLQG-UHFFFAOYSA-N 1 2 343.362 2.860 20 5 EFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)n1 ZINC000374074700 151280012 /nfs/dbraw/zinc/28/00/12/151280012.db2.gz MTYXWDLVRUJLQG-UHFFFAOYSA-N 1 2 343.362 2.860 20 5 EFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000378242696 152040433 /nfs/dbraw/zinc/04/04/33/152040433.db2.gz KJJPDBQCPHJDGZ-XVJNWHFHSA-N 1 2 340.383 2.807 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000378242694 152040599 /nfs/dbraw/zinc/04/05/99/152040599.db2.gz KJJPDBQCPHJDGZ-HVHJFMEUSA-N 1 2 340.383 2.807 20 5 EFBDLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549771 286390560 /nfs/dbraw/zinc/39/05/60/286390560.db2.gz FFDKZJDBASKRMY-HNNXBMFYSA-N 1 2 330.388 2.846 20 5 EFBDLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549771 286390562 /nfs/dbraw/zinc/39/05/62/286390562.db2.gz FFDKZJDBASKRMY-HNNXBMFYSA-N 1 2 330.388 2.846 20 5 EFBDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352667261 286752056 /nfs/dbraw/zinc/75/20/56/286752056.db2.gz JOXNRRAANFZADG-PBHICJAKSA-N 1 2 349.431 2.533 20 5 EFBDLO COc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000122768113 222155569 /nfs/dbraw/zinc/15/55/69/222155569.db2.gz UKIDGNKBGDNXGD-IUODEOHRSA-N 1 2 344.371 2.523 20 5 EFBDLO Cc1cc(C)nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000123151465 222225725 /nfs/dbraw/zinc/22/57/25/222225725.db2.gz XZXHOSLHELJLSO-UHFFFAOYSA-N 1 2 341.415 2.632 20 5 EFBDLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000124134587 222380777 /nfs/dbraw/zinc/38/07/77/222380777.db2.gz SSQKBETXAWOFIS-BLLLJJGKSA-N 1 2 328.372 2.823 20 5 EFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171702138 227229605 /nfs/dbraw/zinc/22/96/05/227229605.db2.gz MAJINWXMBRCLQJ-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171702138 227229611 /nfs/dbraw/zinc/22/96/11/227229611.db2.gz MAJINWXMBRCLQJ-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO O=C(NCCc1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000009367063 544422735 /nfs/dbraw/zinc/42/27/35/544422735.db2.gz DLSIBCGIQXLILG-UHFFFAOYSA-N 1 2 342.380 2.815 20 5 EFBDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190622765 265232595 /nfs/dbraw/zinc/23/25/95/265232595.db2.gz OIODXEOIIWLHST-AWEZNQCLSA-N 1 2 336.388 2.910 20 5 EFBDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190622765 265232597 /nfs/dbraw/zinc/23/25/97/265232597.db2.gz OIODXEOIIWLHST-AWEZNQCLSA-N 1 2 336.388 2.910 20 5 EFBDLO C[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1[N+](=O)[O-] ZINC000192642271 265303266 /nfs/dbraw/zinc/30/32/66/265303266.db2.gz PMOPEPYUIDTTDN-UHFFFAOYSA-N 1 2 345.424 2.673 20 5 EFBDLO C[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1[N+](=O)[O-] ZINC000192642271 265303268 /nfs/dbraw/zinc/30/32/68/265303268.db2.gz PMOPEPYUIDTTDN-UHFFFAOYSA-N 1 2 345.424 2.673 20 5 EFBDLO CCc1cc(NCCCNC(C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193517501 265335012 /nfs/dbraw/zinc/33/50/12/265335012.db2.gz CYUOQXYGAZDJBH-UHFFFAOYSA-N 1 2 343.387 2.552 20 5 EFBDLO COc1c(O)cccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000272220456 266194100 /nfs/dbraw/zinc/19/41/00/266194100.db2.gz BULBNYOLVSZWRU-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272411962 266257587 /nfs/dbraw/zinc/25/75/87/266257587.db2.gz CHKPRICCJIRSPT-TZMCWYRMSA-N 1 2 328.372 2.567 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272630316 266331945 /nfs/dbraw/zinc/33/19/45/266331945.db2.gz KEOMQGHLQIGGCS-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272630316 266331952 /nfs/dbraw/zinc/33/19/52/266331952.db2.gz KEOMQGHLQIGGCS-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000272659719 266343808 /nfs/dbraw/zinc/34/38/08/266343808.db2.gz OJWRIYVLQRHFPJ-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO Cc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000272659719 266343810 /nfs/dbraw/zinc/34/38/10/266343810.db2.gz OJWRIYVLQRHFPJ-CQSZACIVSA-N 1 2 332.360 2.735 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000272866967 266402141 /nfs/dbraw/zinc/40/21/41/266402141.db2.gz SZKNNQFWDZTUDF-LLVKDONJSA-N 1 2 345.359 2.738 20 5 EFBDLO Cc1cc(N[C@@H](C)C[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273010387 266436521 /nfs/dbraw/zinc/43/65/21/266436521.db2.gz AVLUQKLLGRJHTD-BSNNYGBQSA-N 1 2 334.401 2.539 20 5 EFBDLO NC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465560 273001715 /nfs/dbraw/zinc/00/17/15/273001715.db2.gz IAALGWTXOWVEQD-UHFFFAOYSA-N 1 2 331.347 2.612 20 5 EFBDLO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465560 273001717 /nfs/dbraw/zinc/00/17/17/273001717.db2.gz IAALGWTXOWVEQD-UHFFFAOYSA-N 1 2 331.347 2.612 20 5 EFBDLO Cc1cccc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000275498514 266820080 /nfs/dbraw/zinc/82/00/80/266820080.db2.gz SEVWXKTXNGYODN-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000109147113 273011370 /nfs/dbraw/zinc/01/13/70/273011370.db2.gz ZAIICQSJJJDFGJ-GXFFZTMASA-N 1 2 332.385 2.507 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1C ZINC000276587508 267018122 /nfs/dbraw/zinc/01/81/22/267018122.db2.gz HXBREGGRUBZMKH-LBPRGKRZSA-N 1 2 344.371 2.655 20 5 EFBDLO CO[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1OC ZINC000277103578 267115279 /nfs/dbraw/zinc/11/52/79/267115279.db2.gz HGKCGBHJAIKKBO-GASCZTMLSA-N 1 2 349.412 2.564 20 5 EFBDLO CO[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1OC ZINC000277103578 267115281 /nfs/dbraw/zinc/11/52/81/267115281.db2.gz HGKCGBHJAIKKBO-GASCZTMLSA-N 1 2 349.412 2.564 20 5 EFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000119295285 273017020 /nfs/dbraw/zinc/01/70/20/273017020.db2.gz XXKKNCLVGMYSFX-TZMCWYRMSA-N 1 2 328.372 2.540 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278046993 267328587 /nfs/dbraw/zinc/32/85/87/267328587.db2.gz LORAQMKTODURLI-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278046993 267328589 /nfs/dbraw/zinc/32/85/89/267328589.db2.gz LORAQMKTODURLI-DZGCQCFKSA-N 1 2 344.371 2.879 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000157612987 273021038 /nfs/dbraw/zinc/02/10/38/273021038.db2.gz QIOMCFCOOFSNQF-SFHVURJKSA-N 1 2 337.383 2.698 20 5 EFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000157612987 273021039 /nfs/dbraw/zinc/02/10/39/273021039.db2.gz QIOMCFCOOFSNQF-SFHVURJKSA-N 1 2 337.383 2.698 20 5 EFBDLO CCOc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000276958504 273144152 /nfs/dbraw/zinc/14/41/52/273144152.db2.gz VFVGWXUCTLWRJX-UHFFFAOYSA-N 1 2 348.321 2.883 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000277201083 273150356 /nfs/dbraw/zinc/15/03/56/273150356.db2.gz UQRZVJBCHAVZBJ-CYBMUJFWSA-N 1 2 330.344 2.694 20 5 EFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277498609 273158121 /nfs/dbraw/zinc/15/81/21/273158121.db2.gz RCEGHGSGKVDKOS-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277498609 273158122 /nfs/dbraw/zinc/15/81/22/273158122.db2.gz RCEGHGSGKVDKOS-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EFBDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279022577 273167617 /nfs/dbraw/zinc/16/76/17/273167617.db2.gz CDBHNYAQBSIEFR-SECBINFHSA-N 1 2 347.400 2.649 20 5 EFBDLO CCc1nnc([C@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101250 273176823 /nfs/dbraw/zinc/17/68/23/273176823.db2.gz JIVYVFSNCWRENP-SWLSCSKDSA-N 1 2 346.387 2.983 20 5 EFBDLO CCc1nnc([C@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000279101250 273176825 /nfs/dbraw/zinc/17/68/25/273176825.db2.gz JIVYVFSNCWRENP-SWLSCSKDSA-N 1 2 346.387 2.983 20 5 EFBDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000279213836 273189139 /nfs/dbraw/zinc/18/91/39/273189139.db2.gz CCZAWIYUNHWRKI-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000279213836 273189141 /nfs/dbraw/zinc/18/91/41/273189141.db2.gz CCZAWIYUNHWRKI-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCOCC2)O1 ZINC000279753667 273249627 /nfs/dbraw/zinc/24/96/27/273249627.db2.gz LPLNVUFLHQBJPW-GFCCVEGCSA-N 1 2 347.371 2.506 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCOCC2)O1 ZINC000279753667 273249628 /nfs/dbraw/zinc/24/96/28/273249628.db2.gz LPLNVUFLHQBJPW-GFCCVEGCSA-N 1 2 347.371 2.506 20 5 EFBDLO CCC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000280116858 273292612 /nfs/dbraw/zinc/29/26/12/273292612.db2.gz WECWGSMWRXMYRW-UHFFFAOYSA-N 1 2 340.383 2.909 20 5 EFBDLO CC1=C(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000280196594 273301231 /nfs/dbraw/zinc/30/12/31/273301231.db2.gz IOJGGDMBUSGLPA-UHFFFAOYSA-N 1 2 326.356 2.963 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000280254293 273307744 /nfs/dbraw/zinc/30/77/44/273307744.db2.gz NKWSBJFWUNZLLL-UHFFFAOYSA-N 1 2 338.371 2.884 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490894 273333595 /nfs/dbraw/zinc/33/35/95/273333595.db2.gz QEUBQPLCEOHYMZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000280490894 273333596 /nfs/dbraw/zinc/33/35/96/273333596.db2.gz QEUBQPLCEOHYMZ-ABAIWWIYSA-N 1 2 326.780 2.628 20 5 EFBDLO CC1(C)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1O ZINC000280522017 273336740 /nfs/dbraw/zinc/33/67/40/273336740.db2.gz RBFAMSSDJTUTSO-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(C)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1O ZINC000280522017 273336742 /nfs/dbraw/zinc/33/67/42/273336742.db2.gz RBFAMSSDJTUTSO-GFCCVEGCSA-N 1 2 329.194 2.560 20 5 EFBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000280541889 273338985 /nfs/dbraw/zinc/33/89/85/273338985.db2.gz JGGTZFNIPLFSTH-UHFFFAOYSA-N 1 2 346.455 2.801 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571443 273342288 /nfs/dbraw/zinc/34/22/88/273342288.db2.gz LUGWKZYRSQGAEL-APPDUMDISA-N 1 2 336.388 2.611 20 5 EFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571443 273342290 /nfs/dbraw/zinc/34/22/90/273342290.db2.gz LUGWKZYRSQGAEL-APPDUMDISA-N 1 2 336.388 2.611 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571455 273342310 /nfs/dbraw/zinc/34/23/10/273342310.db2.gz LUGWKZYRSQGAEL-PIGZYNQJSA-N 1 2 336.388 2.611 20 5 EFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000280571455 273342311 /nfs/dbraw/zinc/34/23/11/273342311.db2.gz LUGWKZYRSQGAEL-PIGZYNQJSA-N 1 2 336.388 2.611 20 5 EFBDLO Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000281304762 273421712 /nfs/dbraw/zinc/42/17/12/273421712.db2.gz ZCSBQOGPVOJYPU-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO CCOc1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)ccc1[N+](=O)[O-] ZINC000285448468 274001514 /nfs/dbraw/zinc/00/15/14/274001514.db2.gz SICICTLHRMIKHO-OAHLLOKOSA-N 1 2 333.392 2.609 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285547516 274022895 /nfs/dbraw/zinc/02/28/95/274022895.db2.gz GIEUGJVXYMFSCI-AWEZNQCLSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285547516 274022897 /nfs/dbraw/zinc/02/28/97/274022897.db2.gz GIEUGJVXYMFSCI-AWEZNQCLSA-N 1 2 332.360 2.892 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649314 274045093 /nfs/dbraw/zinc/04/50/93/274045093.db2.gz MEXBBTXOJOYHBM-HUUCEWRRSA-N 1 2 332.360 2.547 20 5 EFBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649314 274045094 /nfs/dbraw/zinc/04/50/94/274045094.db2.gz MEXBBTXOJOYHBM-HUUCEWRRSA-N 1 2 332.360 2.547 20 5 EFBDLO CC(C)C(=O)NC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285986694 274112535 /nfs/dbraw/zinc/11/25/35/274112535.db2.gz MLMAVZONJIBFEN-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000286102625 274134044 /nfs/dbraw/zinc/13/40/44/274134044.db2.gz FKPXYFMIVMSIIJ-CYBMUJFWSA-N 1 2 326.356 2.883 20 5 EFBDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286164994 274145911 /nfs/dbraw/zinc/14/59/11/274145911.db2.gz YEMNOPJWEAYKPN-LLVKDONJSA-N 1 2 341.358 2.611 20 5 EFBDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286164994 274145912 /nfs/dbraw/zinc/14/59/12/274145912.db2.gz YEMNOPJWEAYKPN-LLVKDONJSA-N 1 2 341.358 2.611 20 5 EFBDLO Cc1cc(N2CCC[C@](F)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286289866 274170762 /nfs/dbraw/zinc/17/07/62/274170762.db2.gz FNDWAGLNSCVDLY-QGZVFWFLSA-N 1 2 346.362 2.661 20 5 EFBDLO Cc1cc(N2CCC[C@@](F)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286289862 274170764 /nfs/dbraw/zinc/17/07/64/274170764.db2.gz FNDWAGLNSCVDLY-KRWDZBQOSA-N 1 2 346.362 2.661 20 5 EFBDLO CON(CC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000286418105 274197006 /nfs/dbraw/zinc/19/70/06/274197006.db2.gz HBFPRTZBVYZOKI-UHFFFAOYSA-N 1 2 332.360 2.830 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(F)c1 ZINC000286502021 274214415 /nfs/dbraw/zinc/21/44/15/274214415.db2.gz RGVHOKJHVRZEGY-ZIAGYGMSSA-N 1 2 330.356 2.579 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(F)c1 ZINC000286502021 274214418 /nfs/dbraw/zinc/21/44/18/274214418.db2.gz RGVHOKJHVRZEGY-ZIAGYGMSSA-N 1 2 330.356 2.579 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000286704675 274255651 /nfs/dbraw/zinc/25/56/51/274255651.db2.gz WNICWQNWNLNQBV-JQWIXIFHSA-N 1 2 336.285 2.727 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000286704675 274255653 /nfs/dbraw/zinc/25/56/53/274255653.db2.gz WNICWQNWNLNQBV-JQWIXIFHSA-N 1 2 336.285 2.727 20 5 EFBDLO CC(C)Oc1cc[nH+]cc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286914143 274299503 /nfs/dbraw/zinc/29/95/03/274299503.db2.gz KITPAOIRHLRBGC-UHFFFAOYSA-N 1 2 346.339 2.899 20 5 EFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000288129784 274532044 /nfs/dbraw/zinc/53/20/44/274532044.db2.gz MIHJDOSFOJFMSQ-UHFFFAOYSA-N 1 2 345.403 2.824 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000116269411 275033285 /nfs/dbraw/zinc/03/32/85/275033285.db2.gz PECNVICNAGJDQJ-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO CCc1noc(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000162185099 276707862 /nfs/dbraw/zinc/70/78/62/276707862.db2.gz SOQODSNGMBBCMU-UHFFFAOYSA-N 1 2 330.388 2.776 20 5 EFBDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000345603241 279439702 /nfs/dbraw/zinc/43/97/02/279439702.db2.gz QZVSQMCVEJELOV-XHDPSFHLSA-N 1 2 343.387 2.840 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000456399272 280006123 /nfs/dbraw/zinc/00/61/23/280006123.db2.gz UPAMRHZRAPQAJJ-CABZTGNLSA-N 1 2 326.312 2.973 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376019265 288213063 /nfs/dbraw/zinc/21/30/63/288213063.db2.gz OJGVGEXINNABOO-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376019265 288213065 /nfs/dbraw/zinc/21/30/65/288213065.db2.gz OJGVGEXINNABOO-IAQYHMDHSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000265255079 292773985 /nfs/dbraw/zinc/77/39/85/292773985.db2.gz ROJZEVZEGWBBSE-CQSZACIVSA-N 1 2 327.388 2.576 20 5 EFBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000429695901 290047849 /nfs/dbraw/zinc/04/78/49/290047849.db2.gz IEJVBSIAPLQHMV-SFHVURJKSA-N 1 2 327.384 2.789 20 5 EFBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000429695901 290047853 /nfs/dbraw/zinc/04/78/53/290047853.db2.gz IEJVBSIAPLQHMV-SFHVURJKSA-N 1 2 327.384 2.789 20 5 EFBDLO CCc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000081828317 292821433 /nfs/dbraw/zinc/82/14/33/292821433.db2.gz YUPDZMWWIYOCNU-UHFFFAOYSA-N 1 2 338.367 2.777 20 5 EFBDLO Cn1cnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000092851354 292861887 /nfs/dbraw/zinc/86/18/87/292861887.db2.gz RPMYNQHEQWXLCQ-UHFFFAOYSA-N 1 2 329.385 2.742 20 5 EFBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000127504195 293071406 /nfs/dbraw/zinc/07/14/06/293071406.db2.gz BJXDVHMBFAQIRF-UHFFFAOYSA-N 1 2 325.284 2.758 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131496939 293198961 /nfs/dbraw/zinc/19/89/61/293198961.db2.gz JYUGFVYRGASRSO-ZDUSSCGKSA-N 1 2 325.368 2.980 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131496939 293198963 /nfs/dbraw/zinc/19/89/63/293198963.db2.gz JYUGFVYRGASRSO-ZDUSSCGKSA-N 1 2 325.368 2.980 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000255050911 293836706 /nfs/dbraw/zinc/83/67/06/293836706.db2.gz SAGJAIFVRRPHQN-HJWRWDBZSA-N 1 2 326.356 2.621 20 5 EFBDLO Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000291024550 294250842 /nfs/dbraw/zinc/25/08/42/294250842.db2.gz WMPNTMIEJQTZQT-UHFFFAOYSA-N 1 2 346.362 2.886 20 5 EFBDLO COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911279 295077276 /nfs/dbraw/zinc/07/72/76/295077276.db2.gz FYYCBSJXUDKTMB-QZTJIDSGSA-N 1 2 348.399 2.755 20 5 EFBDLO COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911279 295077279 /nfs/dbraw/zinc/07/72/79/295077279.db2.gz FYYCBSJXUDKTMB-QZTJIDSGSA-N 1 2 348.399 2.755 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000294493900 295175610 /nfs/dbraw/zinc/17/56/10/295175610.db2.gz JUXAOEWSPAXXFZ-UHFFFAOYSA-N 1 2 344.371 2.507 20 5 EFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nncn1C ZINC000294758325 295221765 /nfs/dbraw/zinc/22/17/65/295221765.db2.gz YDQXYKNFYKSUBG-QMMMGPOBSA-N 1 2 329.282 2.593 20 5 EFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000295392826 295312475 /nfs/dbraw/zinc/31/24/75/295312475.db2.gz YQKZMCKNKQYLMZ-UHFFFAOYSA-N 1 2 334.763 2.922 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000295789240 295376408 /nfs/dbraw/zinc/37/64/08/295376408.db2.gz DXIZLENECGZWGC-ZDUSSCGKSA-N 1 2 332.335 2.691 20 5 EFBDLO CCn1cc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 ZINC000296087749 295422597 /nfs/dbraw/zinc/42/25/97/295422597.db2.gz POKGCTUOQWXZGD-NSHDSACASA-N 1 2 342.359 2.712 20 5 EFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000296331668 295459795 /nfs/dbraw/zinc/45/97/95/295459795.db2.gz PIQLKEGUBVLKDJ-CYBMUJFWSA-N 1 2 339.461 2.789 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000339161553 304804325 /nfs/dbraw/zinc/80/43/25/304804325.db2.gz SLOBMWXSMCDRPY-GOSISDBHSA-N 1 2 328.368 2.614 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424161 310760200 /nfs/dbraw/zinc/76/02/00/310760200.db2.gz PKOHPYKPZUHMHG-UHFFFAOYSA-N 1 2 336.351 2.842 20 5 EFBDLO Cc1c(NC(=O)C2CC[NH+](CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000297739945 310926267 /nfs/dbraw/zinc/92/62/67/310926267.db2.gz HSWUMBSFFVPECY-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000298043188 310951302 /nfs/dbraw/zinc/95/13/02/310951302.db2.gz WHCQCRVYDIUQEK-UHFFFAOYSA-N 1 2 327.331 2.819 20 5 EFBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@@H](C)O1 ZINC000298739457 311019349 /nfs/dbraw/zinc/01/93/49/311019349.db2.gz WEBFWJWGJOFYED-VXGBXAGGSA-N 1 2 329.360 2.742 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298765392 311021483 /nfs/dbraw/zinc/02/14/83/311021483.db2.gz MCBZCEYKTWBSDD-HNNXBMFYSA-N 1 2 344.371 2.707 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298765392 311021484 /nfs/dbraw/zinc/02/14/84/311021484.db2.gz MCBZCEYKTWBSDD-HNNXBMFYSA-N 1 2 344.371 2.707 20 5 EFBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299125055 311053916 /nfs/dbraw/zinc/05/39/16/311053916.db2.gz KVNDSVPVBSUYGZ-UHFFFAOYSA-N 1 2 335.389 2.618 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000299324380 311072780 /nfs/dbraw/zinc/07/27/80/311072780.db2.gz CWORJOUTALRWCY-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cc(N[C@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299390204 311079866 /nfs/dbraw/zinc/07/98/66/311079866.db2.gz GYXCTRNEVHGAKT-LLVKDONJSA-N 1 2 339.359 2.662 20 5 EFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299491918 311090173 /nfs/dbraw/zinc/09/01/73/311090173.db2.gz GGKIIYMHUIRLMF-UHFFFAOYSA-N 1 2 339.355 2.819 20 5 EFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299509707 311091929 /nfs/dbraw/zinc/09/19/29/311091929.db2.gz JITCQAOEFDYHMS-UHFFFAOYSA-N 1 2 334.763 2.991 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299598068 311101239 /nfs/dbraw/zinc/10/12/39/311101239.db2.gz XHJYEYJWOUWYCG-UHFFFAOYSA-N 1 2 346.412 2.816 20 5 EFBDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299625795 311104416 /nfs/dbraw/zinc/10/44/16/311104416.db2.gz RMABCZZSNWTPNU-UHFFFAOYSA-N 1 2 329.404 2.694 20 5 EFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)oc1C ZINC000301234091 311125829 /nfs/dbraw/zinc/12/58/29/311125829.db2.gz GUPWYVCOHPYLNP-UHFFFAOYSA-N 1 2 330.388 2.830 20 5 EFBDLO Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000301298584 311130049 /nfs/dbraw/zinc/13/00/49/311130049.db2.gz QBGJDCFRXLSRQP-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000301298584 311130050 /nfs/dbraw/zinc/13/00/50/311130050.db2.gz QBGJDCFRXLSRQP-INIZCTEOSA-N 1 2 342.399 2.611 20 5 EFBDLO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301790764 311158539 /nfs/dbraw/zinc/15/85/39/311158539.db2.gz RDSMMYKBOYHTJE-ZFWWWQNUSA-N 1 2 342.399 2.957 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000302038292 311173823 /nfs/dbraw/zinc/17/38/23/311173823.db2.gz KPTKPRLFNZXCBU-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302391938 311189041 /nfs/dbraw/zinc/18/90/41/311189041.db2.gz IKFQRDSBFRKCTC-XHDPSFHLSA-N 1 2 328.372 2.567 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1N1CC[C@H](Oc3cc[nH+]cc3)C1)CCN2 ZINC000302394238 311189092 /nfs/dbraw/zinc/18/90/92/311189092.db2.gz CNHGHGMUWSVUPC-ZDUSSCGKSA-N 1 2 326.356 2.616 20 5 EFBDLO Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302403587 311189356 /nfs/dbraw/zinc/18/93/56/311189356.db2.gz KLCKKJMVSVEWDH-KGLIPLIRSA-N 1 2 328.372 2.932 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302782028 311200945 /nfs/dbraw/zinc/20/09/45/311200945.db2.gz SJWLRSKRTAAGLY-AWEZNQCLSA-N 1 2 336.779 2.921 20 5 EFBDLO CN(C)C(=O)N1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330918528 311343818 /nfs/dbraw/zinc/34/38/18/311343818.db2.gz XHLKLLRLHUQLPY-VQHVLOKHSA-N 1 2 346.431 2.686 20 5 EFBDLO CN(C)C(=O)N1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330918528 311343820 /nfs/dbraw/zinc/34/38/20/311343820.db2.gz XHLKLLRLHUQLPY-VQHVLOKHSA-N 1 2 346.431 2.686 20 5 EFBDLO C[C@H]1[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1(C)C ZINC000331056528 311351418 /nfs/dbraw/zinc/35/14/18/311351418.db2.gz PYRJOKUMOMEWJC-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1(C)C ZINC000331056528 311351420 /nfs/dbraw/zinc/35/14/20/311351420.db2.gz PYRJOKUMOMEWJC-LLVKDONJSA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331182119 311359110 /nfs/dbraw/zinc/35/91/10/311359110.db2.gz XKTBYUAWDJFMRP-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331182119 311359112 /nfs/dbraw/zinc/35/91/12/311359112.db2.gz XKTBYUAWDJFMRP-NSHDSACASA-N 1 2 332.360 2.644 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314175 311367327 /nfs/dbraw/zinc/36/73/27/311367327.db2.gz IDOJEOKITWVNDK-WFASDCNBSA-N 1 2 335.404 2.669 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314175 311367328 /nfs/dbraw/zinc/36/73/28/311367328.db2.gz IDOJEOKITWVNDK-WFASDCNBSA-N 1 2 335.404 2.669 20 5 EFBDLO CNc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000360952288 311924150 /nfs/dbraw/zinc/92/41/50/311924150.db2.gz YTRIBNLJKTZEBB-IUODEOHRSA-N 1 2 343.387 2.556 20 5 EFBDLO COC1(C(F)(F)F)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000418090076 312323678 /nfs/dbraw/zinc/32/36/78/312323678.db2.gz KDZTZHDBMPIYAC-UHFFFAOYSA-N 1 2 334.294 2.844 20 5 EFBDLO NC(=O)c1cccc([N+](=O)[O-])c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000420580217 312373367 /nfs/dbraw/zinc/37/33/67/312373367.db2.gz CFFBHMGPBZNXSJ-UHFFFAOYSA-N 1 2 341.371 2.823 20 5 EFBDLO Cc1cc(N2C[C@H](CO)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420629587 312376689 /nfs/dbraw/zinc/37/66/89/312376689.db2.gz PCZCVOHFQQEMFM-GXTWGEPZSA-N 1 2 342.399 2.815 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCC1(O)CCC1 ZINC000420648047 312378873 /nfs/dbraw/zinc/37/88/73/312378873.db2.gz ZXOAILWUUQXADV-UHFFFAOYSA-N 1 2 349.431 2.534 20 5 EFBDLO CCCN1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000420649547 312378949 /nfs/dbraw/zinc/37/89/49/312378949.db2.gz GIRHKOKKTHRMFL-GFCCVEGCSA-N 1 2 328.372 2.813 20 5 EFBDLO Cc1cc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420654696 312379658 /nfs/dbraw/zinc/37/96/58/312379658.db2.gz QJUCKDOSYFZFEO-UHFFFAOYSA-N 1 2 335.385 2.622 20 5 EFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420698156 312385161 /nfs/dbraw/zinc/38/51/61/312385161.db2.gz KKRSZNPFLZYTEV-UHFFFAOYSA-N 1 2 349.412 2.702 20 5 EFBDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000423694134 312444095 /nfs/dbraw/zinc/44/40/95/312444095.db2.gz HPSVVCCUPROMGY-GFCCVEGCSA-N 1 2 341.358 2.693 20 5 EFBDLO COCC1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000432931002 312587350 /nfs/dbraw/zinc/58/73/50/312587350.db2.gz IIWUQZVDFJUKJG-UHFFFAOYSA-N 1 2 328.372 2.833 20 5 EFBDLO COc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000447164852 312670966 /nfs/dbraw/zinc/67/09/66/312670966.db2.gz DYXKATKSCSBNMJ-UHFFFAOYSA-N 1 2 330.344 2.937 20 5 EFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000481573652 313294774 /nfs/dbraw/zinc/29/47/74/313294774.db2.gz NXHZSIAMZIVBEB-KRWDZBQOSA-N 1 2 342.395 2.820 20 5 EFBDLO CC(C)(C)NC(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000482520166 313302118 /nfs/dbraw/zinc/30/21/18/313302118.db2.gz QXONLYBDSUUCRE-SOFGYWHQSA-N 1 2 346.431 2.734 20 5 EFBDLO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000487081856 313363871 /nfs/dbraw/zinc/36/38/71/313363871.db2.gz BKIWUYGKGVXQTG-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000487081856 313363873 /nfs/dbraw/zinc/36/38/73/313363873.db2.gz BKIWUYGKGVXQTG-GFCCVEGCSA-N 1 2 343.225 2.529 20 5 EFBDLO CC[C@H]([NH2+]Cc1ncnn1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000488127118 313460539 /nfs/dbraw/zinc/46/05/39/313460539.db2.gz JQFGVOWCQJWBPB-LBPRGKRZSA-N 1 2 325.319 2.692 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCCSC1 ZINC000488535501 313494004 /nfs/dbraw/zinc/49/40/04/313494004.db2.gz UHKNDVMZPCLVMD-CQSZACIVSA-N 1 2 337.445 2.735 20 5 EFBDLO Cc1ccoc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000488789787 313513467 /nfs/dbraw/zinc/51/34/67/313513467.db2.gz VUFPNZXTZMSDIT-UHFFFAOYSA-N 1 2 345.399 2.965 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492798702 314129414 /nfs/dbraw/zinc/12/94/14/314129414.db2.gz KKTJQUYBHDSXIC-VCIFKONDSA-N 1 2 326.356 2.609 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799319 314129846 /nfs/dbraw/zinc/12/98/46/314129846.db2.gz LPMWSVVAWSNTAI-FDMDGMSGSA-N 1 2 326.356 2.609 20 5 EFBDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000492880264 314162798 /nfs/dbraw/zinc/16/27/98/314162798.db2.gz JYWQVGIZBDTZLD-CMDGGOBGSA-N 1 2 328.372 2.526 20 5 EFBDLO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492897040 314168683 /nfs/dbraw/zinc/16/86/83/314168683.db2.gz WFEWNRXCSMGYJJ-LBPRGKRZSA-N 1 2 337.420 2.729 20 5 EFBDLO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492897040 314168686 /nfs/dbraw/zinc/16/86/86/314168686.db2.gz WFEWNRXCSMGYJJ-LBPRGKRZSA-N 1 2 337.420 2.729 20 5 EFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493029584 314217005 /nfs/dbraw/zinc/21/70/05/314217005.db2.gz WHVJNRIJSBQILL-PTZVLDCSSA-N 1 2 340.383 2.951 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493040980 314220311 /nfs/dbraw/zinc/22/03/11/314220311.db2.gz VLYTZNMNPGTQJB-HJWRWDBZSA-N 1 2 340.383 2.799 20 5 EFBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493272060 314299918 /nfs/dbraw/zinc/29/99/18/314299918.db2.gz UHMBOUDQIOEMIW-NPQIQWPPSA-N 1 2 326.356 2.737 20 5 EFBDLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493272058 314300017 /nfs/dbraw/zinc/30/00/17/314300017.db2.gz UHMBOUDQIOEMIW-DANTVBBOSA-N 1 2 326.356 2.737 20 5 EFBDLO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493492676 314376706 /nfs/dbraw/zinc/37/67/06/314376706.db2.gz KWYKIYHMAXQJLU-CEBVKENUSA-N 1 2 330.319 2.766 20 5 EFBDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000493555155 314398909 /nfs/dbraw/zinc/39/89/09/314398909.db2.gz MARYTWMBIBJIBV-FPLPWBNLSA-N 1 2 328.372 2.526 20 5 EFBDLO CCOC(=O)N[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000496842418 315216243 /nfs/dbraw/zinc/21/62/43/315216243.db2.gz ZMYPDZNHBRJTHL-CYBMUJFWSA-N 1 2 344.371 2.858 20 5 EFBDLO CN(C)C(=O)OC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000497168439 315334956 /nfs/dbraw/zinc/33/49/56/315334956.db2.gz AOZCIKAEWYOHHU-UHFFFAOYSA-N 1 2 344.371 2.810 20 5 EFBDLO COC(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000497216953 315354160 /nfs/dbraw/zinc/35/41/60/315354160.db2.gz YFCAVHKLFYIRBB-UHFFFAOYSA-N 1 2 330.344 2.786 20 5 EFBDLO CCc1cc(NC[C@@H](CC)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000516693117 315697212 /nfs/dbraw/zinc/69/72/12/315697212.db2.gz ANBUCWLYSISEQY-OAHLLOKOSA-N 1 2 330.388 2.873 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH+]1 ZINC000532186539 317367468 /nfs/dbraw/zinc/36/74/68/317367468.db2.gz YWANKZKJMFFZMC-UHFFFAOYSA-N 1 2 340.295 2.761 20 5 EFBDLO Cc1[nH]c2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2[nH+]1 ZINC000532186539 317367471 /nfs/dbraw/zinc/36/74/71/317367471.db2.gz YWANKZKJMFFZMC-UHFFFAOYSA-N 1 2 340.295 2.761 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cn1 ZINC000534336954 317547536 /nfs/dbraw/zinc/54/75/36/317547536.db2.gz HAWXSZHAZGUKQF-UHFFFAOYSA-N 1 2 345.428 2.646 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000545908662 317939017 /nfs/dbraw/zinc/93/90/17/317939017.db2.gz MLRMLNYQVWLRPE-INIZCTEOSA-N 1 2 344.415 2.957 20 5 EFBDLO Cc1cc(NC[C@@]2(O)CCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549654599 318179331 /nfs/dbraw/zinc/17/93/31/318179331.db2.gz VLWFJBFGRIAHMK-XIKOKIGWSA-N 1 2 342.399 2.745 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCc1ccccc1O ZINC000554746819 318335450 /nfs/dbraw/zinc/33/54/50/318335450.db2.gz HPDOVOOTMKUOIR-UHFFFAOYSA-N 1 2 343.383 2.722 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCc1ccccc1O ZINC000554746819 318335452 /nfs/dbraw/zinc/33/54/52/318335452.db2.gz HPDOVOOTMKUOIR-UHFFFAOYSA-N 1 2 343.383 2.722 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000560605103 318568383 /nfs/dbraw/zinc/56/83/83/318568383.db2.gz HHRVBJYEFBIQAC-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000566426594 319073680 /nfs/dbraw/zinc/07/36/80/319073680.db2.gz VERRCEIFDYHZAO-CYBMUJFWSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000566426594 319073682 /nfs/dbraw/zinc/07/36/82/319073682.db2.gz VERRCEIFDYHZAO-CYBMUJFWSA-N 1 2 339.823 2.545 20 5 EFBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000566474195 319081441 /nfs/dbraw/zinc/08/14/41/319081441.db2.gz FSPVXBMPFFZJRU-MRXNPFEDSA-N 1 2 340.383 2.926 20 5 EFBDLO COC(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000567374546 319165897 /nfs/dbraw/zinc/16/58/97/319165897.db2.gz SJQAWUNPQBIOJB-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000567374546 319165899 /nfs/dbraw/zinc/16/58/99/319165899.db2.gz SJQAWUNPQBIOJB-UHFFFAOYSA-N 1 2 341.367 2.941 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000568758458 319316293 /nfs/dbraw/zinc/31/62/93/319316293.db2.gz OWGRTJFRDXMDHP-HNNXBMFYSA-N 1 2 340.383 2.726 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000568758458 319316294 /nfs/dbraw/zinc/31/62/94/319316294.db2.gz OWGRTJFRDXMDHP-HNNXBMFYSA-N 1 2 340.383 2.726 20 5 EFBDLO Cc1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000572309830 319656178 /nfs/dbraw/zinc/65/61/78/319656178.db2.gz FKBCUTDDHAJWKL-UHFFFAOYSA-N 1 2 341.358 2.610 20 5 EFBDLO C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000576060519 319979580 /nfs/dbraw/zinc/97/95/80/319979580.db2.gz SCDQMWJCDDMVHF-XJKSGUPXSA-N 1 2 328.372 2.586 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000576932913 320061641 /nfs/dbraw/zinc/06/16/41/320061641.db2.gz GGGHMUAMIXKAIQ-UHFFFAOYSA-N 1 2 347.375 2.792 20 5 EFBDLO C[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000576947910 320063631 /nfs/dbraw/zinc/06/36/31/320063631.db2.gz CDTDOBHJHAKGAD-JTQLQIEISA-N 1 2 334.401 2.855 20 5 EFBDLO CC(C)Oc1nc(N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000577231411 320091791 /nfs/dbraw/zinc/09/17/91/320091791.db2.gz KFLMJCBPRDXNOI-CYBMUJFWSA-N 1 2 331.376 2.643 20 5 EFBDLO CC(C)Oc1nc(N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000577231414 320091895 /nfs/dbraw/zinc/09/18/95/320091895.db2.gz KFLMJCBPRDXNOI-ZDUSSCGKSA-N 1 2 331.376 2.643 20 5 EFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000007017935 323210358 /nfs/dbraw/zinc/21/03/58/323210358.db2.gz RMFKTUYZVOTXJL-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000007017935 323210360 /nfs/dbraw/zinc/21/03/60/323210360.db2.gz RMFKTUYZVOTXJL-UHFFFAOYSA-N 1 2 329.356 2.674 20 5 EFBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000181021935 323225337 /nfs/dbraw/zinc/22/53/37/323225337.db2.gz WWBFZELBGUVRGL-UHFFFAOYSA-N 1 2 328.368 2.813 20 5 EFBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000181021935 323225341 /nfs/dbraw/zinc/22/53/41/323225341.db2.gz WWBFZELBGUVRGL-UHFFFAOYSA-N 1 2 328.368 2.813 20 5 EFBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)C(F)(F)F ZINC000181317733 323231993 /nfs/dbraw/zinc/23/19/93/323231993.db2.gz KKJMBHUDASTKLW-LBPRGKRZSA-N 1 2 345.277 2.605 20 5 EFBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)C(F)(F)F ZINC000181317733 323231994 /nfs/dbraw/zinc/23/19/94/323231994.db2.gz KKJMBHUDASTKLW-LBPRGKRZSA-N 1 2 345.277 2.605 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182659152 323293893 /nfs/dbraw/zinc/29/38/93/323293893.db2.gz DYQLKJTXMQZENG-SNVBAGLBSA-N 1 2 332.335 2.937 20 5 EFBDLO C[C@H](C(=O)Nc1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182659131 323294088 /nfs/dbraw/zinc/29/40/88/323294088.db2.gz DYQLKJTXMQZENG-JTQLQIEISA-N 1 2 332.335 2.937 20 5 EFBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1 ZINC000579828016 324040088 /nfs/dbraw/zinc/04/00/88/324040088.db2.gz ZAQPXJSQFNXCLM-UHFFFAOYSA-N 1 2 342.399 2.743 20 5 EFBDLO C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579902944 324051247 /nfs/dbraw/zinc/05/12/47/324051247.db2.gz SCGHUEKLUZATJE-ZDUSSCGKSA-N 1 2 328.372 2.759 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC[C@@H]3C3CCC3)n2)c1 ZINC000580191131 324117478 /nfs/dbraw/zinc/11/74/78/324117478.db2.gz KQMMJQIOTWGNAR-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC[C@@H]3C3CCC3)n2)c1 ZINC000580191131 324117483 /nfs/dbraw/zinc/11/74/83/324117483.db2.gz KQMMJQIOTWGNAR-OAHLLOKOSA-N 1 2 344.371 2.646 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC000580456687 324169079 /nfs/dbraw/zinc/16/90/79/324169079.db2.gz NGFXUAYLAOTKSI-UHFFFAOYSA-N 1 2 341.371 2.633 20 5 EFBDLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580611040 324196566 /nfs/dbraw/zinc/19/65/66/324196566.db2.gz PWLQNTFYAWNUKL-SFHVURJKSA-N 1 2 337.379 2.906 20 5 EFBDLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580611040 324196570 /nfs/dbraw/zinc/19/65/70/324196570.db2.gz PWLQNTFYAWNUKL-SFHVURJKSA-N 1 2 337.379 2.906 20 5 EFBDLO C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000580751435 324225540 /nfs/dbraw/zinc/22/55/40/324225540.db2.gz YJZPYHMXRBCVFW-ZDUSSCGKSA-N 1 2 338.367 2.705 20 5 EFBDLO Cc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2n1C1CC1 ZINC000583332028 324790988 /nfs/dbraw/zinc/79/09/88/324790988.db2.gz UTUCPQWADYLEMR-UHFFFAOYSA-N 1 2 339.355 2.846 20 5 EFBDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000081576817 473224388 /nfs/dbraw/zinc/22/43/88/473224388.db2.gz OFOSVFTVVQKXGF-NSHDSACASA-N 1 2 333.417 2.638 20 5 EFBDLO Cc1c(CN2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000095977228 473238027 /nfs/dbraw/zinc/23/80/27/473238027.db2.gz NXESKRHGMIFQDT-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1c(C[NH+]2CCN(Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000095977228 473238029 /nfs/dbraw/zinc/23/80/29/473238029.db2.gz NXESKRHGMIFQDT-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1cc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000095982341 473241849 /nfs/dbraw/zinc/24/18/49/473241849.db2.gz IAHIMDAWXLJLHO-GQCTYLIASA-N 1 2 342.399 2.722 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000184876909 473260842 /nfs/dbraw/zinc/26/08/42/473260842.db2.gz YNUDSUCIWBYKLD-INIZCTEOSA-N 1 2 344.415 2.909 20 5 EFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000177020630 473287725 /nfs/dbraw/zinc/28/77/25/473287725.db2.gz JEAOWORUXCUGQK-ZIAGYGMSSA-N 1 2 326.356 2.653 20 5 EFBDLO C[C@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190480140 473288845 /nfs/dbraw/zinc/28/88/45/473288845.db2.gz IBAJPUMGSSCKPM-SNVBAGLBSA-N 1 2 343.836 2.872 20 5 EFBDLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190480140 473288851 /nfs/dbraw/zinc/28/88/51/473288851.db2.gz IBAJPUMGSSCKPM-SNVBAGLBSA-N 1 2 343.836 2.872 20 5 EFBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000185003976 473298870 /nfs/dbraw/zinc/29/88/70/473298870.db2.gz RLRNTWWUYMKRTJ-NSHDSACASA-N 1 2 346.412 2.600 20 5 EFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000185039443 473308800 /nfs/dbraw/zinc/30/88/00/473308800.db2.gz VUQJTGOKSHYKKA-LLVKDONJSA-N 1 2 334.401 2.673 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185112326 473332695 /nfs/dbraw/zinc/33/26/95/473332695.db2.gz LBAJIMIPWCCBEN-YTEVENLXSA-N 1 2 328.434 2.581 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185112326 473332701 /nfs/dbraw/zinc/33/27/01/473332701.db2.gz LBAJIMIPWCCBEN-YTEVENLXSA-N 1 2 328.434 2.581 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083247945 473337275 /nfs/dbraw/zinc/33/72/75/473337275.db2.gz ZFJYVLYZKKACNR-OAHLLOKOSA-N 1 2 349.431 2.979 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083247945 473337282 /nfs/dbraw/zinc/33/72/82/473337282.db2.gz ZFJYVLYZKKACNR-OAHLLOKOSA-N 1 2 349.431 2.979 20 5 EFBDLO C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185191511 473356953 /nfs/dbraw/zinc/35/69/53/473356953.db2.gz HNEFNJMRKLDSTL-GFCCVEGCSA-N 1 2 346.362 2.898 20 5 EFBDLO COc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000616320047 479879683 /nfs/dbraw/zinc/87/96/83/479879683.db2.gz LPUQOUZOHYIQKB-AWEZNQCLSA-N 1 2 344.371 2.586 20 5 EFBDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452043942 476792643 /nfs/dbraw/zinc/79/26/43/476792643.db2.gz VJJMSRSQIHAJKG-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452043942 476792650 /nfs/dbraw/zinc/79/26/50/476792650.db2.gz VJJMSRSQIHAJKG-LBPRGKRZSA-N 1 2 341.795 2.688 20 5 EFBDLO CCCn1nccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596978003 479516514 /nfs/dbraw/zinc/51/65/14/479516514.db2.gz RMSJFRWTUIJPKE-UHFFFAOYSA-N 1 2 329.404 2.524 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015135817 471891595 /nfs/dbraw/zinc/89/15/95/471891595.db2.gz NOSXMALYPGNQIB-UHFFFAOYSA-N 1 2 338.367 2.612 20 5 EFBDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000016564140 471941464 /nfs/dbraw/zinc/94/14/64/471941464.db2.gz VMGYEHGMJMIKPB-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000016564140 471941468 /nfs/dbraw/zinc/94/14/68/471941468.db2.gz VMGYEHGMJMIKPB-UHFFFAOYSA-N 1 2 343.383 2.982 20 5 EFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000033220119 471977908 /nfs/dbraw/zinc/97/79/08/471977908.db2.gz RNRVYSHDHJJQGB-GFCCVEGCSA-N 1 2 337.339 2.667 20 5 EFBDLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040142303 472029727 /nfs/dbraw/zinc/02/97/27/472029727.db2.gz TYNNQFQANKUSSC-AWEZNQCLSA-N 1 2 341.367 2.947 20 5 EFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000054148809 472062343 /nfs/dbraw/zinc/06/23/43/472062343.db2.gz HMGDTEVINGHLBZ-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000054148809 472062344 /nfs/dbraw/zinc/06/23/44/472062344.db2.gz HMGDTEVINGHLBZ-QGZVFWFLSA-N 1 2 343.358 2.863 20 5 EFBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000067680675 472070033 /nfs/dbraw/zinc/07/00/33/472070033.db2.gz ICNZBVGYWMEGHU-UHFFFAOYSA-N 1 2 342.311 2.716 20 5 EFBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n2)C1 ZINC000054277579 472071412 /nfs/dbraw/zinc/07/14/12/472071412.db2.gz WZBCYDIYSRJNAK-JTQLQIEISA-N 1 2 349.416 2.864 20 5 EFBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n2)C1 ZINC000054277579 472071418 /nfs/dbraw/zinc/07/14/18/472071418.db2.gz WZBCYDIYSRJNAK-JTQLQIEISA-N 1 2 349.416 2.864 20 5 EFBDLO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000025824730 472113785 /nfs/dbraw/zinc/11/37/85/472113785.db2.gz VAYQAQSBBHPLFU-INIZCTEOSA-N 1 2 327.384 2.908 20 5 EFBDLO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000025824730 472113791 /nfs/dbraw/zinc/11/37/91/472113791.db2.gz VAYQAQSBBHPLFU-INIZCTEOSA-N 1 2 327.384 2.908 20 5 EFBDLO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000026349052 472133097 /nfs/dbraw/zinc/13/30/97/472133097.db2.gz MCGODZSQVPVWJM-UHFFFAOYSA-N 1 2 345.374 2.791 20 5 EFBDLO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000026349052 472133101 /nfs/dbraw/zinc/13/31/01/472133101.db2.gz MCGODZSQVPVWJM-UHFFFAOYSA-N 1 2 345.374 2.791 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000026346168 472133440 /nfs/dbraw/zinc/13/34/40/472133440.db2.gz KIYSZQIBHKKLTG-IIAWOOMASA-N 1 2 333.432 2.968 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000026346168 472133444 /nfs/dbraw/zinc/13/34/44/472133444.db2.gz KIYSZQIBHKKLTG-IIAWOOMASA-N 1 2 333.432 2.968 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055059863 472137122 /nfs/dbraw/zinc/13/71/22/472137122.db2.gz IVJRKNQARPXPPR-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055059863 472137128 /nfs/dbraw/zinc/13/71/28/472137128.db2.gz IVJRKNQARPXPPR-UHFFFAOYSA-N 1 2 329.356 2.536 20 5 EFBDLO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711317 472143765 /nfs/dbraw/zinc/14/37/65/472143765.db2.gz PQTWAWLSOMMGJF-CQSZACIVSA-N 1 2 327.340 2.693 20 5 EFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555658 472157116 /nfs/dbraw/zinc/15/71/16/472157116.db2.gz HPVLANXUJZWDFH-NPQIQWPPSA-N 1 2 326.356 2.737 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000075588218 472162859 /nfs/dbraw/zinc/16/28/59/472162859.db2.gz MSEHQPXCFNLFET-HNNXBMFYSA-N 1 2 346.431 2.879 20 5 EFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cscn2)CC1 ZINC000075680866 472182513 /nfs/dbraw/zinc/18/25/13/472182513.db2.gz DWJOBLZNRNLQEX-ZDUSSCGKSA-N 1 2 332.429 2.930 20 5 EFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cscn2)CC1 ZINC000075680867 472183207 /nfs/dbraw/zinc/18/32/07/472183207.db2.gz DWJOBLZNRNLQEX-CYBMUJFWSA-N 1 2 332.429 2.930 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477034 472234953 /nfs/dbraw/zinc/23/49/53/472234953.db2.gz TUOTXRXYNLHTSI-UHFFFAOYSA-N 1 2 339.355 2.584 20 5 EFBDLO Cc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029149039 472255193 /nfs/dbraw/zinc/25/51/93/472255193.db2.gz OTPSOBSLQSUBLK-UHFFFAOYSA-N 1 2 343.383 2.853 20 5 EFBDLO Cc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029149039 472255199 /nfs/dbraw/zinc/25/51/99/472255199.db2.gz OTPSOBSLQSUBLK-UHFFFAOYSA-N 1 2 343.383 2.853 20 5 EFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])s1 ZINC000029668383 472287947 /nfs/dbraw/zinc/28/79/47/472287947.db2.gz WNMNGLAFIGSHEF-UHFFFAOYSA-N 1 2 342.380 2.831 20 5 EFBDLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000069162831 472301516 /nfs/dbraw/zinc/30/15/16/472301516.db2.gz GHSBNNHCDALHEV-QGZVFWFLSA-N 1 2 343.358 2.843 20 5 EFBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000616786199 479977536 /nfs/dbraw/zinc/97/75/36/479977536.db2.gz OIPDYOOIILIYEG-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000616786199 479977541 /nfs/dbraw/zinc/97/75/41/479977541.db2.gz OIPDYOOIILIYEG-UHFFFAOYSA-N 1 2 330.388 2.795 20 5 EFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540735 472338350 /nfs/dbraw/zinc/33/83/50/472338350.db2.gz FGQVQJGUJMCJPF-UHFFFAOYSA-N 1 2 345.424 2.543 20 5 EFBDLO CCc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000030539325 472338971 /nfs/dbraw/zinc/33/89/71/472338971.db2.gz HSGIRSJZIVVBRL-UHFFFAOYSA-N 1 2 332.429 2.936 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000069444494 472345730 /nfs/dbraw/zinc/34/57/30/472345730.db2.gz AXLYMQVAXPWYHL-FNORWQNLSA-N 1 2 340.314 2.711 20 5 EFBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000069533764 472366735 /nfs/dbraw/zinc/36/67/35/472366735.db2.gz WNUBQQILSLSPPN-UHFFFAOYSA-N 1 2 336.373 2.883 20 5 EFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CCCCCC1 ZINC000088605213 472376023 /nfs/dbraw/zinc/37/60/23/472376023.db2.gz NJAOYKKGYUFRDR-UHFFFAOYSA-N 1 2 331.416 2.792 20 5 EFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CCCCCC1 ZINC000088605213 472376025 /nfs/dbraw/zinc/37/60/25/472376025.db2.gz NJAOYKKGYUFRDR-UHFFFAOYSA-N 1 2 331.416 2.792 20 5 EFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC000088605822 472377857 /nfs/dbraw/zinc/37/78/57/472377857.db2.gz VMMJSNNYGBPZIN-UHFFFAOYSA-N 1 2 337.379 2.542 20 5 EFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC000088605822 472377863 /nfs/dbraw/zinc/37/78/63/472377863.db2.gz VMMJSNNYGBPZIN-UHFFFAOYSA-N 1 2 337.379 2.542 20 5 EFBDLO Cc1ccn2cc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000057255146 472404744 /nfs/dbraw/zinc/40/47/44/472404744.db2.gz WMUPJXHAGUUNAJ-QPJJXVBHSA-N 1 2 336.351 2.881 20 5 EFBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000128314049 472433113 /nfs/dbraw/zinc/43/31/13/472433113.db2.gz QYDKSRAWCUTCHP-UHFFFAOYSA-N 1 2 326.316 2.714 20 5 EFBDLO CN(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032479419 472440160 /nfs/dbraw/zinc/44/01/60/472440160.db2.gz UPJOTSNLRCFERZ-UHFFFAOYSA-N 1 2 326.312 2.646 20 5 EFBDLO O=C(NCc1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032487068 472440650 /nfs/dbraw/zinc/44/06/50/472440650.db2.gz CTWRKHJROLFTOI-UHFFFAOYSA-N 1 2 328.353 2.772 20 5 EFBDLO CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000057519424 472448080 /nfs/dbraw/zinc/44/80/80/472448080.db2.gz JPFPAYMCSYMNMS-UHFFFAOYSA-N 1 2 328.372 2.766 20 5 EFBDLO CCOc1cccc(N2CC[NH+](Cc3cc(C)no3)CC2)c1[N+](=O)[O-] ZINC000097108516 472451821 /nfs/dbraw/zinc/45/18/21/472451821.db2.gz MHRCVBYBRANDIG-UHFFFAOYSA-N 1 2 346.387 2.612 20 5 EFBDLO CCc1nc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000128442851 472451858 /nfs/dbraw/zinc/45/18/58/472451858.db2.gz PQAHTKIWTZEYBI-UHFFFAOYSA-N 1 2 346.456 2.932 20 5 EFBDLO O=C(CC[N@H+](CC(F)F)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128575854 472469986 /nfs/dbraw/zinc/46/99/86/472469986.db2.gz BLVDVWJAWYPMLD-UHFFFAOYSA-N 1 2 331.294 2.792 20 5 EFBDLO O=C(CC[N@@H+](CC(F)F)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128575854 472469994 /nfs/dbraw/zinc/46/99/94/472469994.db2.gz BLVDVWJAWYPMLD-UHFFFAOYSA-N 1 2 331.294 2.792 20 5 EFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccccc1[N+](=O)[O-] ZINC000057756172 472471532 /nfs/dbraw/zinc/47/15/32/472471532.db2.gz YRFYUROJIXHMKK-UHFFFAOYSA-N 1 2 342.277 2.626 20 5 EFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046146949 472518467 /nfs/dbraw/zinc/51/84/67/472518467.db2.gz ZOFSATWOWIBAEF-UHFFFAOYSA-N 1 2 338.367 2.823 20 5 EFBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000101567641 472541201 /nfs/dbraw/zinc/54/12/01/472541201.db2.gz CUKZRCMAQSZTTR-UHFFFAOYSA-N 1 2 325.434 2.914 20 5 EFBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000101567641 472541210 /nfs/dbraw/zinc/54/12/10/472541210.db2.gz CUKZRCMAQSZTTR-UHFFFAOYSA-N 1 2 325.434 2.914 20 5 EFBDLO Cc1[nH]c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000046326180 472542915 /nfs/dbraw/zinc/54/29/15/472542915.db2.gz ZMICWBQPSLIFQC-UHFFFAOYSA-N 1 2 326.312 2.797 20 5 EFBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000101861912 472554383 /nfs/dbraw/zinc/55/43/83/472554383.db2.gz VUZHZSNWAMBDLX-DUXPYHPUSA-N 1 2 344.346 2.807 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000058958677 472616854 /nfs/dbraw/zinc/61/68/54/472616854.db2.gz PUFVSFUIPQNHOT-UHFFFAOYSA-N 1 2 329.356 2.887 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000058958649 472617444 /nfs/dbraw/zinc/61/74/44/472617444.db2.gz AFHBUWPRFFVCSA-UHFFFAOYSA-N 1 2 343.383 2.816 20 5 EFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000058957692 472617523 /nfs/dbraw/zinc/61/75/23/472617523.db2.gz XPXQNHFNTBSSIV-UHFFFAOYSA-N 1 2 335.385 2.949 20 5 EFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000072034416 472628232 /nfs/dbraw/zinc/62/82/32/472628232.db2.gz VVBLHVQHZQVCCT-CPUCHLNUSA-N 1 2 349.431 2.976 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077975046 472646297 /nfs/dbraw/zinc/64/62/97/472646297.db2.gz CMWQRCFEVROSRQ-INIZCTEOSA-N 1 2 326.356 2.593 20 5 EFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077975046 472646301 /nfs/dbraw/zinc/64/63/01/472646301.db2.gz CMWQRCFEVROSRQ-INIZCTEOSA-N 1 2 326.356 2.593 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131458569 472671749 /nfs/dbraw/zinc/67/17/49/472671749.db2.gz VCFJHNPKTCTCFZ-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131458569 472671755 /nfs/dbraw/zinc/67/17/55/472671755.db2.gz VCFJHNPKTCTCFZ-QGZVFWFLSA-N 1 2 343.383 2.811 20 5 EFBDLO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000120357042 472674139 /nfs/dbraw/zinc/67/41/39/472674139.db2.gz TWISAXAMBYGWDR-HNNXBMFYSA-N 1 2 338.404 2.930 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120358192 472674590 /nfs/dbraw/zinc/67/45/90/472674590.db2.gz AEXCFBHLFAWVGY-UHFFFAOYSA-N 1 2 346.412 2.747 20 5 EFBDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000047259505 472679298 /nfs/dbraw/zinc/67/92/98/472679298.db2.gz UYLUJKWVGIAZSS-SNVBAGLBSA-N 1 2 334.401 2.819 20 5 EFBDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000047259505 472679303 /nfs/dbraw/zinc/67/93/03/472679303.db2.gz UYLUJKWVGIAZSS-SNVBAGLBSA-N 1 2 334.401 2.819 20 5 EFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c1 ZINC000078637316 472745762 /nfs/dbraw/zinc/74/57/62/472745762.db2.gz HIKLPSGIDVQIEW-UHFFFAOYSA-N 1 2 337.383 2.565 20 5 EFBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072982840 472752103 /nfs/dbraw/zinc/75/21/03/472752103.db2.gz WCMRWGSZUGFZMI-ZDUSSCGKSA-N 1 2 345.403 2.579 20 5 EFBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072982840 472752108 /nfs/dbraw/zinc/75/21/08/472752108.db2.gz WCMRWGSZUGFZMI-ZDUSSCGKSA-N 1 2 345.403 2.579 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000133784728 472839516 /nfs/dbraw/zinc/83/95/16/472839516.db2.gz QJDCWRNUKMYMLB-UHFFFAOYSA-N 1 2 338.367 2.959 20 5 EFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000121395900 472845519 /nfs/dbraw/zinc/84/55/19/472845519.db2.gz FXFJVTBKZOGXAA-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000121395900 472845527 /nfs/dbraw/zinc/84/55/27/472845527.db2.gz FXFJVTBKZOGXAA-UHFFFAOYSA-N 1 2 337.807 2.693 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066109 472851029 /nfs/dbraw/zinc/85/10/29/472851029.db2.gz KQGQXHVFKDWONE-DYVFJYSZSA-N 1 2 331.416 2.749 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066109 472851036 /nfs/dbraw/zinc/85/10/36/472851036.db2.gz KQGQXHVFKDWONE-DYVFJYSZSA-N 1 2 331.416 2.749 20 5 EFBDLO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092145476 472866722 /nfs/dbraw/zinc/86/67/22/472866722.db2.gz DFLFSTDHCCHVQF-UHFFFAOYSA-N 1 2 349.431 2.771 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106872985 472904372 /nfs/dbraw/zinc/90/43/72/472904372.db2.gz YHFKVYUBPMACNX-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106872985 472904379 /nfs/dbraw/zinc/90/43/79/472904379.db2.gz YHFKVYUBPMACNX-UHFFFAOYSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC000121941580 472949429 /nfs/dbraw/zinc/94/94/29/472949429.db2.gz VLDNCLIDKPCKAZ-UHFFFAOYSA-N 1 2 340.383 2.828 20 5 EFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000122115617 472977001 /nfs/dbraw/zinc/97/70/01/472977001.db2.gz IZBSRAGVUKRHTB-UHFFFAOYSA-N 1 2 339.311 2.768 20 5 EFBDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000051322851 473041185 /nfs/dbraw/zinc/04/11/85/473041185.db2.gz OYARWFFXBKWVMQ-UHFFFAOYSA-N 1 2 349.822 2.612 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093233825 473065658 /nfs/dbraw/zinc/06/56/58/473065658.db2.gz KGFZQWUSBWQOPQ-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093233825 473065663 /nfs/dbraw/zinc/06/56/63/473065663.db2.gz KGFZQWUSBWQOPQ-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO CC(C)n1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000066412403 473091013 /nfs/dbraw/zinc/09/10/13/473091013.db2.gz IOTJWRQOQBKPQT-UHFFFAOYSA-N 1 2 340.343 2.810 20 5 EFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000109322035 473093707 /nfs/dbraw/zinc/09/37/07/473093707.db2.gz HBXKPXHYEFLOAY-UHFFFAOYSA-N 1 2 339.355 2.523 20 5 EFBDLO CC[C@]1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135618074 473100145 /nfs/dbraw/zinc/10/01/45/473100145.db2.gz KGNCYWKJPCIBCO-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(O)c1 ZINC000080918661 473100233 /nfs/dbraw/zinc/10/02/33/473100233.db2.gz HCNSBRNHIPZKOK-GFCCVEGCSA-N 1 2 329.356 2.759 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080918661 473100239 /nfs/dbraw/zinc/10/02/39/473100239.db2.gz HCNSBRNHIPZKOK-GFCCVEGCSA-N 1 2 329.356 2.759 20 5 EFBDLO CC[C@]1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135618074 473100153 /nfs/dbraw/zinc/10/01/53/473100153.db2.gz KGNCYWKJPCIBCO-MRXNPFEDSA-N 1 2 332.360 2.646 20 5 EFBDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109782590 473120911 /nfs/dbraw/zinc/12/09/11/473120911.db2.gz XGHOSGPYJLQNCO-GFCCVEGCSA-N 1 2 329.356 2.932 20 5 EFBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109782590 473120919 /nfs/dbraw/zinc/12/09/19/473120919.db2.gz XGHOSGPYJLQNCO-GFCCVEGCSA-N 1 2 329.356 2.932 20 5 EFBDLO COCc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000160427820 473122150 /nfs/dbraw/zinc/12/21/50/473122150.db2.gz MDLJKKCINFGHJE-UHFFFAOYSA-N 1 2 331.372 2.656 20 5 EFBDLO COC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000052830410 473152907 /nfs/dbraw/zinc/15/29/07/473152907.db2.gz FWEOHXYNCOQYQL-UHFFFAOYSA-N 1 2 344.367 2.649 20 5 EFBDLO COC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000052830410 473152912 /nfs/dbraw/zinc/15/29/12/473152912.db2.gz FWEOHXYNCOQYQL-UHFFFAOYSA-N 1 2 344.367 2.649 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123581890 473160594 /nfs/dbraw/zinc/16/05/94/473160594.db2.gz PXVUVZULBUOCOU-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123581890 473160597 /nfs/dbraw/zinc/16/05/97/473160597.db2.gz PXVUVZULBUOCOU-GFCCVEGCSA-N 1 2 344.820 2.729 20 5 EFBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160935105 473192869 /nfs/dbraw/zinc/19/28/69/473192869.db2.gz PKSHMJWIWFUZCV-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160935105 473192873 /nfs/dbraw/zinc/19/28/73/473192873.db2.gz PKSHMJWIWFUZCV-UHFFFAOYSA-N 1 2 349.387 2.584 20 5 EFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163314396 473432132 /nfs/dbraw/zinc/43/21/32/473432132.db2.gz FHDPKVRQOWHAQG-LLVKDONJSA-N 1 2 341.795 2.959 20 5 EFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163314396 473432135 /nfs/dbraw/zinc/43/21/35/473432135.db2.gz FHDPKVRQOWHAQG-LLVKDONJSA-N 1 2 341.795 2.959 20 5 EFBDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000125613723 473434090 /nfs/dbraw/zinc/43/40/90/473434090.db2.gz KQDMRIZNPWUWIW-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000125613723 473434092 /nfs/dbraw/zinc/43/40/92/473434092.db2.gz KQDMRIZNPWUWIW-KRWDZBQOSA-N 1 2 340.383 2.790 20 5 EFBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000114125311 473442319 /nfs/dbraw/zinc/44/23/19/473442319.db2.gz NKHZLMATDWQAAW-UHFFFAOYSA-N 1 2 337.339 2.992 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000125844538 473463888 /nfs/dbraw/zinc/46/38/88/473463888.db2.gz ZYNSXPSFNJSANF-DOMZBBRYSA-N 1 2 328.372 2.823 20 5 EFBDLO O=C(CCCn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163755270 473464454 /nfs/dbraw/zinc/46/44/54/473464454.db2.gz RQCKISUJWRBSAY-UHFFFAOYSA-N 1 2 328.372 2.763 20 5 EFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000171945932 473488190 /nfs/dbraw/zinc/48/81/90/473488190.db2.gz KTGZMYRJQCSMPB-UHFFFAOYSA-N 1 2 339.311 2.617 20 5 EFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178370716 473501015 /nfs/dbraw/zinc/50/10/15/473501015.db2.gz YYGPOXXMJGEBRU-UHFFFAOYSA-N 1 2 342.380 2.894 20 5 EFBDLO C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126312951 473507396 /nfs/dbraw/zinc/50/73/96/473507396.db2.gz ZOGHZEVZGNNOTR-ABAIWWIYSA-N 1 2 332.335 2.654 20 5 EFBDLO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000151943091 473509227 /nfs/dbraw/zinc/50/92/27/473509227.db2.gz TZFUPBQHJWBIRP-UHFFFAOYSA-N 1 2 349.412 2.566 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152114721 473526360 /nfs/dbraw/zinc/52/63/60/473526360.db2.gz NYGYEHXDURDZBY-AWEZNQCLSA-N 1 2 327.388 2.970 20 5 EFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152114721 473526365 /nfs/dbraw/zinc/52/63/65/473526365.db2.gz NYGYEHXDURDZBY-AWEZNQCLSA-N 1 2 327.388 2.970 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000115160909 473541006 /nfs/dbraw/zinc/54/10/06/473541006.db2.gz ASQRFKGLJLMFAQ-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127486398 473617902 /nfs/dbraw/zinc/61/79/02/473617902.db2.gz YVKXJJWHKQIAGG-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127486398 473617908 /nfs/dbraw/zinc/61/79/08/473617908.db2.gz YVKXJJWHKQIAGG-GFCCVEGCSA-N 1 2 344.371 2.630 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127713963 473644046 /nfs/dbraw/zinc/64/40/46/473644046.db2.gz TTZPKFIDTCLUQI-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127713963 473644050 /nfs/dbraw/zinc/64/40/50/473644050.db2.gz TTZPKFIDTCLUQI-ZDUSSCGKSA-N 1 2 328.372 2.930 20 5 EFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154118993 473668162 /nfs/dbraw/zinc/66/81/62/473668162.db2.gz FQZBGAWBDDKOLJ-ZDUSSCGKSA-N 1 2 340.383 2.545 20 5 EFBDLO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179440784 473687314 /nfs/dbraw/zinc/68/73/14/473687314.db2.gz GMVAMQRMEJZNJH-UHFFFAOYSA-N 1 2 337.420 2.740 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172968023 473716040 /nfs/dbraw/zinc/71/60/40/473716040.db2.gz RHAXNPMZUGZIEB-UHFFFAOYSA-N 1 2 338.367 2.991 20 5 EFBDLO COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000192755479 473719707 /nfs/dbraw/zinc/71/97/07/473719707.db2.gz WXZUPACAFYPXOH-OCCSQVGLSA-N 1 2 344.371 2.523 20 5 EFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000179824811 473736823 /nfs/dbraw/zinc/73/68/23/473736823.db2.gz WYKDPDSLEKMAPF-STQMWFEESA-N 1 2 328.372 2.899 20 5 EFBDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])cc1F ZINC000274294457 473774434 /nfs/dbraw/zinc/77/44/34/473774434.db2.gz HNJMCSKTUTZWII-ZETCQYMHSA-N 1 2 326.353 2.753 20 5 EFBDLO CN(C(=O)C[NH2+]C(C)(C)c1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000173418014 473831494 /nfs/dbraw/zinc/83/14/94/473831494.db2.gz CZZYMGRSJRKKGB-UHFFFAOYSA-N 1 2 334.401 2.539 20 5 EFBDLO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194174888 473855552 /nfs/dbraw/zinc/85/55/52/473855552.db2.gz WGPOROBTZYIIGU-ZDUSSCGKSA-N 1 2 331.416 2.816 20 5 EFBDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194174888 473855558 /nfs/dbraw/zinc/85/55/58/473855558.db2.gz WGPOROBTZYIIGU-ZDUSSCGKSA-N 1 2 331.416 2.816 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000269677543 473857024 /nfs/dbraw/zinc/85/70/24/473857024.db2.gz WWYABSBVJLLTBL-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000269677543 473857032 /nfs/dbraw/zinc/85/70/32/473857032.db2.gz WWYABSBVJLLTBL-ROUUACIJSA-N 1 2 328.368 2.702 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000269686990 473862109 /nfs/dbraw/zinc/86/21/09/473862109.db2.gz GWJDBGLAQDZEII-UHFFFAOYSA-N 1 2 336.388 2.721 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000269686990 473862115 /nfs/dbraw/zinc/86/21/15/473862115.db2.gz GWJDBGLAQDZEII-UHFFFAOYSA-N 1 2 336.388 2.721 20 5 EFBDLO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000180429867 473874976 /nfs/dbraw/zinc/87/49/76/473874976.db2.gz GCAZCGCTYQCZAC-NSHDSACASA-N 1 2 348.428 2.533 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263889598 473894238 /nfs/dbraw/zinc/89/42/38/473894238.db2.gz RVLMQQBSNGTHKK-UHFFFAOYSA-N 1 2 336.392 2.903 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263889598 473894243 /nfs/dbraw/zinc/89/42/43/473894243.db2.gz RVLMQQBSNGTHKK-UHFFFAOYSA-N 1 2 336.392 2.903 20 5 EFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269863191 473901157 /nfs/dbraw/zinc/90/11/57/473901157.db2.gz JVPUJUHQSVGXTJ-NSHDSACASA-N 1 2 329.316 2.589 20 5 EFBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000173649822 473902672 /nfs/dbraw/zinc/90/26/72/473902672.db2.gz YTRWZHQZPCZZJL-CYBMUJFWSA-N 1 2 346.387 2.585 20 5 EFBDLO COc1ccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000173649822 473902678 /nfs/dbraw/zinc/90/26/78/473902678.db2.gz YTRWZHQZPCZZJL-CYBMUJFWSA-N 1 2 346.387 2.585 20 5 EFBDLO CN(C(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000180856509 473977858 /nfs/dbraw/zinc/97/78/58/473977858.db2.gz GPSMRIUVLKSDBO-UHFFFAOYSA-N 1 2 340.383 2.617 20 5 EFBDLO CN(C(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000180856509 473977864 /nfs/dbraw/zinc/97/78/64/473977864.db2.gz GPSMRIUVLKSDBO-UHFFFAOYSA-N 1 2 340.383 2.617 20 5 EFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cs1 ZINC000288551953 473978983 /nfs/dbraw/zinc/97/89/83/473978983.db2.gz XVQYAUDNIWLYAX-GFCCVEGCSA-N 1 2 349.412 2.756 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)o1 ZINC000195018534 473993053 /nfs/dbraw/zinc/99/30/53/473993053.db2.gz PBXLSWBDUBEVNV-SFHVURJKSA-N 1 2 344.367 2.846 20 5 EFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)o1 ZINC000195018534 473993058 /nfs/dbraw/zinc/99/30/58/473993058.db2.gz PBXLSWBDUBEVNV-SFHVURJKSA-N 1 2 344.367 2.846 20 5 EFBDLO CC(C)(C)OC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241838 474012016 /nfs/dbraw/zinc/01/20/16/474012016.db2.gz ZDXHRROEKCSJEB-UHFFFAOYSA-N 1 2 336.388 2.780 20 5 EFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCCCC2 ZINC000282336727 474027113 /nfs/dbraw/zinc/02/71/13/474027113.db2.gz BMJFIIYPSTXXRC-UHFFFAOYSA-N 1 2 329.404 2.587 20 5 EFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCCCC2 ZINC000282336727 474027120 /nfs/dbraw/zinc/02/71/20/474027120.db2.gz BMJFIIYPSTXXRC-UHFFFAOYSA-N 1 2 329.404 2.587 20 5 EFBDLO Cc1cc(NC[C@]2(O)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270272344 474054142 /nfs/dbraw/zinc/05/41/42/474054142.db2.gz WPCALHIOUXQBJY-MRXNPFEDSA-N 1 2 346.412 2.640 20 5 EFBDLO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181885696 474068230 /nfs/dbraw/zinc/06/82/30/474068230.db2.gz OBPCCAWQBJOGRB-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181885696 474068238 /nfs/dbraw/zinc/06/82/38/474068238.db2.gz OBPCCAWQBJOGRB-CYBMUJFWSA-N 1 2 335.404 2.685 20 5 EFBDLO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000181938428 474071449 /nfs/dbraw/zinc/07/14/49/474071449.db2.gz VTDLLVWCOAGTHH-UHFFFAOYSA-N 1 2 347.415 2.685 20 5 EFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000210625963 474130590 /nfs/dbraw/zinc/13/05/90/474130590.db2.gz BMOSHBDTOGUJKY-SREVYHEPSA-N 1 2 341.367 2.545 20 5 EFBDLO Cc1cc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000222067321 474163945 /nfs/dbraw/zinc/16/39/45/474163945.db2.gz IAHIMDAWXLJLHO-XQRVVYSFSA-N 1 2 342.399 2.722 20 5 EFBDLO COc1ccc([C@@H](CCO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000182403125 474168266 /nfs/dbraw/zinc/16/82/66/474168266.db2.gz DFBUGNWQZALIBR-MRXNPFEDSA-N 1 2 334.347 2.956 20 5 EFBDLO C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1cccc([N+](=O)[O-])c1 ZINC000289209810 474184263 /nfs/dbraw/zinc/18/42/63/474184263.db2.gz ILMDIXNLOOQLLH-SNVBAGLBSA-N 1 2 335.385 2.948 20 5 EFBDLO CC[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275442732 474187822 /nfs/dbraw/zinc/18/78/22/474187822.db2.gz HPNUKADDTGPAAX-UHFFFAOYSA-N 1 2 335.407 2.871 20 5 EFBDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188897388 474227888 /nfs/dbraw/zinc/22/78/88/474227888.db2.gz BOVUXGQQECUTQN-NSHDSACASA-N 1 2 348.428 2.675 20 5 EFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182709264 474239576 /nfs/dbraw/zinc/23/95/76/474239576.db2.gz CEHVYMBOSGFZEM-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182709264 474239579 /nfs/dbraw/zinc/23/95/79/474239579.db2.gz CEHVYMBOSGFZEM-UHFFFAOYSA-N 1 2 341.367 2.600 20 5 EFBDLO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289387078 474248147 /nfs/dbraw/zinc/24/81/47/474248147.db2.gz QOGVRDXZIVCHMQ-HNNXBMFYSA-N 1 2 340.383 2.808 20 5 EFBDLO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289387078 474248151 /nfs/dbraw/zinc/24/81/51/474248151.db2.gz QOGVRDXZIVCHMQ-HNNXBMFYSA-N 1 2 340.383 2.808 20 5 EFBDLO Cc1cccn2cc(CC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000608783233 480093434 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328.434 2.581 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248486226 474338511 /nfs/dbraw/zinc/33/85/11/474338511.db2.gz LBAJIMIPWCCBEN-VERVWZFWSA-N 1 2 328.434 2.581 20 5 EFBDLO CC(C)OCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000265827712 474352730 /nfs/dbraw/zinc/35/27/30/474352730.db2.gz YKBYLBQQQBBQME-UHFFFAOYSA-N 1 2 346.387 2.668 20 5 EFBDLO CC(C)C[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000271016751 474370695 /nfs/dbraw/zinc/37/06/95/474370695.db2.gz YKTIBKHUPPYTOL-UHFFFAOYSA-N 1 2 343.225 2.530 20 5 EFBDLO CN(C)c1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000271052804 474387770 /nfs/dbraw/zinc/38/77/70/474387770.db2.gz BHVQELVJDLOBTQ-UHFFFAOYSA-N 1 2 327.388 2.615 20 5 EFBDLO CN(C)c1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000271052804 474387776 /nfs/dbraw/zinc/38/77/76/474387776.db2.gz BHVQELVJDLOBTQ-UHFFFAOYSA-N 1 2 327.388 2.615 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000283464290 474409813 /nfs/dbraw/zinc/40/98/13/474409813.db2.gz LWDDMPIEADKHFB-UHFFFAOYSA-N 1 2 344.371 2.736 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248757671 474428254 /nfs/dbraw/zinc/42/82/54/474428254.db2.gz KIYSZQIBHKKLTG-IJEWVQPXSA-N 1 2 333.432 2.968 20 5 EFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248757671 474428261 /nfs/dbraw/zinc/42/82/61/474428261.db2.gz KIYSZQIBHKKLTG-IJEWVQPXSA-N 1 2 333.432 2.968 20 5 EFBDLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000613779318 480110064 /nfs/dbraw/zinc/11/00/64/480110064.db2.gz VERZPUAKWHQGCY-CQSZACIVSA-N 1 2 329.360 2.969 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@@H]1CCCO1 ZINC000289877200 474465819 /nfs/dbraw/zinc/46/58/19/474465819.db2.gz RQFOOIPKOJDAIF-DOTOQJQBSA-N 1 2 348.399 2.851 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@@H]1CCCO1 ZINC000289877200 474465825 /nfs/dbraw/zinc/46/58/25/474465825.db2.gz RQFOOIPKOJDAIF-DOTOQJQBSA-N 1 2 348.399 2.851 20 5 EFBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C)[nH+]1 ZINC000608936415 480105903 /nfs/dbraw/zinc/10/59/03/480105903.db2.gz UCVHMVLIJMINQO-UHFFFAOYSA-N 1 2 343.339 2.939 20 5 EFBDLO Cc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000283693272 474469826 /nfs/dbraw/zinc/46/98/26/474469826.db2.gz YZJDTBKOBCDLDU-MRXNPFEDSA-N 1 2 346.387 2.564 20 5 EFBDLO COc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1F ZINC000184268361 474492288 /nfs/dbraw/zinc/49/22/88/474492288.db2.gz AHFKHPMWUGJRIY-CQSZACIVSA-N 1 2 348.378 2.985 20 5 EFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1F ZINC000184268361 474492293 /nfs/dbraw/zinc/49/22/93/474492293.db2.gz AHFKHPMWUGJRIY-CQSZACIVSA-N 1 2 348.378 2.985 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289947147 474498955 /nfs/dbraw/zinc/49/89/55/474498955.db2.gz VVGGVWXSWBMLAW-WDEREUQCSA-N 1 2 327.331 2.899 20 5 EFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289947147 474498957 /nfs/dbraw/zinc/49/89/57/474498957.db2.gz VVGGVWXSWBMLAW-WDEREUQCSA-N 1 2 327.331 2.899 20 5 EFBDLO Cc1nc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000271341609 474499184 /nfs/dbraw/zinc/49/91/84/474499184.db2.gz OLGRDYSRTOUTBY-NFBGWVBBSA-N 1 2 327.388 2.914 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276342518 474502838 /nfs/dbraw/zinc/50/28/38/474502838.db2.gz UISAKLWVSYSNNJ-GFCCVEGCSA-N 1 2 339.367 2.833 20 5 EFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276342518 474502844 /nfs/dbraw/zinc/50/28/44/474502844.db2.gz UISAKLWVSYSNNJ-GFCCVEGCSA-N 1 2 339.367 2.833 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000283876073 474517091 /nfs/dbraw/zinc/51/70/91/474517091.db2.gz BSHQKMHWAPIVEA-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000283876073 474517093 /nfs/dbraw/zinc/51/70/93/474517093.db2.gz BSHQKMHWAPIVEA-UHFFFAOYSA-N 1 2 347.396 2.649 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000267003425 474563158 /nfs/dbraw/zinc/56/31/58/474563158.db2.gz ZNECUTOVQBOFMU-UHFFFAOYSA-N 1 2 328.372 2.747 20 5 EFBDLO Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000184612660 474563535 /nfs/dbraw/zinc/56/35/35/474563535.db2.gz GCQIRVRIQYIKRF-UHFFFAOYSA-N 1 2 325.328 2.873 20 5 EFBDLO Cc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000271480852 474566536 /nfs/dbraw/zinc/56/65/36/474566536.db2.gz XSGYHDPMTWPNBC-UHFFFAOYSA-N 1 2 334.401 2.798 20 5 EFBDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184629428 474567912 /nfs/dbraw/zinc/56/79/12/474567912.db2.gz HSNRSUMRMFTVTN-CYBMUJFWSA-N 1 2 332.429 2.930 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000184641709 474572306 /nfs/dbraw/zinc/57/23/06/474572306.db2.gz NBVYVPHYOCKFKB-HNNXBMFYSA-N 1 2 330.388 2.567 20 5 EFBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184664693 474578422 /nfs/dbraw/zinc/57/84/22/474578422.db2.gz HIZQOFTWURHIAH-JSGCOSHPSA-N 1 2 347.371 2.801 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000284345788 474624408 /nfs/dbraw/zinc/62/44/08/474624408.db2.gz YFPXOCUIVICLIR-UHFFFAOYSA-N 1 2 348.353 2.586 20 5 EFBDLO C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1n1cc[nH+]c1 ZINC000278370575 474624503 /nfs/dbraw/zinc/62/45/03/474624503.db2.gz KWJYVZMXIGJCIB-MLGOLLRUSA-N 1 2 327.388 2.847 20 5 EFBDLO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000278425208 474640920 /nfs/dbraw/zinc/64/09/20/474640920.db2.gz OZZJPYQFHZMNPL-NXEZZACHSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000278456634 474648630 /nfs/dbraw/zinc/64/86/30/474648630.db2.gz SIGYLBDNUNHELG-SECBINFHSA-N 1 2 329.282 2.953 20 5 EFBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)O1 ZINC000252442575 474659224 /nfs/dbraw/zinc/65/92/24/474659224.db2.gz AOAPJERELQJLBB-BXUZGUMPSA-N 1 2 332.360 2.644 20 5 EFBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)O1 ZINC000252442575 474659228 /nfs/dbraw/zinc/65/92/28/474659228.db2.gz AOAPJERELQJLBB-BXUZGUMPSA-N 1 2 332.360 2.644 20 5 EFBDLO CCCCCNC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338901864 474715865 /nfs/dbraw/zinc/71/58/65/474715865.db2.gz HKKPKYBIIUSCQB-UHFFFAOYSA-N 1 2 349.431 2.819 20 5 EFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267958314 474725113 /nfs/dbraw/zinc/72/51/13/474725113.db2.gz BNXQQSZNEHPSTA-CQSZACIVSA-N 1 2 328.372 2.657 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000338928035 474741027 /nfs/dbraw/zinc/74/10/27/474741027.db2.gz SMQDZLOYFMQPCT-UHFFFAOYSA-N 1 2 343.318 2.929 20 5 EFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000338928810 474741780 /nfs/dbraw/zinc/74/17/80/474741780.db2.gz WQCBIPJTIOYRBP-UHFFFAOYSA-N 1 2 331.357 2.851 20 5 EFBDLO CCOC(=O)C[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609194060 480124556 /nfs/dbraw/zinc/12/45/56/480124556.db2.gz FTSJIOFXFPQUED-UHFFFAOYSA-N 1 2 347.371 2.677 20 5 EFBDLO CCOC(=O)C[N@@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609194060 480124561 /nfs/dbraw/zinc/12/45/61/480124561.db2.gz FTSJIOFXFPQUED-UHFFFAOYSA-N 1 2 347.371 2.677 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000284782574 474770592 /nfs/dbraw/zinc/77/05/92/474770592.db2.gz YHDXUFJEKQNNKC-FVQBIDKESA-N 1 2 340.807 2.610 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000284782574 474770597 /nfs/dbraw/zinc/77/05/97/474770597.db2.gz YHDXUFJEKQNNKC-FVQBIDKESA-N 1 2 340.807 2.610 20 5 EFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340914750 474773144 /nfs/dbraw/zinc/77/31/44/474773144.db2.gz URFNOTFKTOKXOU-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340914750 474773150 /nfs/dbraw/zinc/77/31/50/474773150.db2.gz URFNOTFKTOKXOU-INIZCTEOSA-N 1 2 332.360 2.646 20 5 EFBDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000254965042 474780285 /nfs/dbraw/zinc/78/02/85/474780285.db2.gz CVIHUNURYGYQKL-GDAGCXPBSA-N 1 2 340.445 2.753 20 5 EFBDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000254965042 474780294 /nfs/dbraw/zinc/78/02/94/474780294.db2.gz CVIHUNURYGYQKL-GDAGCXPBSA-N 1 2 340.445 2.753 20 5 EFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254981230 474783623 /nfs/dbraw/zinc/78/36/23/474783623.db2.gz QCBDFCQMIRTRJH-FPLPWBNLSA-N 1 2 328.372 2.777 20 5 EFBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045403 474873671 /nfs/dbraw/zinc/87/36/71/474873671.db2.gz ONURQGGEPYZKKN-YVEFUNNKSA-N 1 2 344.367 2.940 20 5 EFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000339062349 474891879 /nfs/dbraw/zinc/89/18/79/474891879.db2.gz CFZDCZBUMQBPSZ-JTQLQIEISA-N 1 2 346.227 2.969 20 5 EFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000339062349 474891890 /nfs/dbraw/zinc/89/18/90/474891890.db2.gz CFZDCZBUMQBPSZ-JTQLQIEISA-N 1 2 346.227 2.969 20 5 EFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293281620 474907258 /nfs/dbraw/zinc/90/72/58/474907258.db2.gz CPVZUFHYGQZZJQ-NSHDSACASA-N 1 2 332.360 2.604 20 5 EFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293281620 474907265 /nfs/dbraw/zinc/90/72/65/474907265.db2.gz CPVZUFHYGQZZJQ-NSHDSACASA-N 1 2 332.360 2.604 20 5 EFBDLO CC(C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000320250446 474909364 /nfs/dbraw/zinc/90/93/64/474909364.db2.gz IBZJQAIVVTUPPF-HNNXBMFYSA-N 1 2 340.855 2.932 20 5 EFBDLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120490 474947493 /nfs/dbraw/zinc/94/74/93/474947493.db2.gz PSUUAZTZUQNEOD-INIZCTEOSA-N 1 2 330.384 2.990 20 5 EFBDLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120490 474947500 /nfs/dbraw/zinc/94/75/00/474947500.db2.gz PSUUAZTZUQNEOD-INIZCTEOSA-N 1 2 330.384 2.990 20 5 EFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285260608 474949459 /nfs/dbraw/zinc/94/94/59/474949459.db2.gz DAXGDXQOJRJLCG-MRXNPFEDSA-N 1 2 347.419 2.997 20 5 EFBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130435 474960063 /nfs/dbraw/zinc/96/00/63/474960063.db2.gz VIQXMIGKNCHKBG-QGZVFWFLSA-N 1 2 336.388 2.998 20 5 EFBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130435 474960068 /nfs/dbraw/zinc/96/00/68/474960068.db2.gz VIQXMIGKNCHKBG-QGZVFWFLSA-N 1 2 336.388 2.998 20 5 EFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000339131522 474961338 /nfs/dbraw/zinc/96/13/38/474961338.db2.gz JYIDGHYFGSAMFG-CQSZACIVSA-N 1 2 347.346 2.878 20 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474976505 /nfs/dbraw/zinc/97/65/05/474976505.db2.gz JYSTUMBROAKNST-UHFFFAOYSA-N 1 2 349.431 2.861 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000261385993 474976513 /nfs/dbraw/zinc/97/65/13/474976513.db2.gz JYSTUMBROAKNST-UHFFFAOYSA-N 1 2 349.431 2.861 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000337420322 474998266 /nfs/dbraw/zinc/99/82/66/474998266.db2.gz WBCXITDZLDEHGG-IJVDHGTGSA-N 1 2 338.429 2.507 20 5 EFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000337420322 474998272 /nfs/dbraw/zinc/99/82/72/474998272.db2.gz WBCXITDZLDEHGG-IJVDHGTGSA-N 1 2 338.429 2.507 20 5 EFBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000339168816 474998727 /nfs/dbraw/zinc/99/87/27/474998727.db2.gz DNMBMTJABIYQLV-KRWDZBQOSA-N 1 2 341.411 2.659 20 5 EFBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000339168816 474998733 /nfs/dbraw/zinc/99/87/33/474998733.db2.gz DNMBMTJABIYQLV-KRWDZBQOSA-N 1 2 341.411 2.659 20 5 EFBDLO CC(C)(C(=O)NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000273819420 475063505 /nfs/dbraw/zinc/06/35/05/475063505.db2.gz CLYXNNFAOTXIDE-UHFFFAOYSA-N 1 2 346.362 2.635 20 5 EFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000345309161 475081445 /nfs/dbraw/zinc/08/14/45/475081445.db2.gz WHFGTYANKCQDSU-SNVBAGLBSA-N 1 2 346.412 2.829 20 5 EFBDLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000341588070 475169730 /nfs/dbraw/zinc/16/97/30/475169730.db2.gz PVOSDDXRVCGAAC-QMMMGPOBSA-N 1 2 330.266 2.933 20 5 EFBDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000341688267 475223908 /nfs/dbraw/zinc/22/39/08/475223908.db2.gz IYYXRGCNRRZXBK-BONVTDFDSA-N 1 2 346.362 2.838 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000341701708 475234529 /nfs/dbraw/zinc/23/45/29/475234529.db2.gz BBKAIZXCYOFZRC-OAHLLOKOSA-N 1 2 348.790 2.792 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000341702123 475236224 /nfs/dbraw/zinc/23/62/24/475236224.db2.gz BPPXUQZUICTHBL-CYBMUJFWSA-N 1 2 334.763 2.863 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000347331729 475237552 /nfs/dbraw/zinc/23/75/52/475237552.db2.gz MPVAJLKZGHMCLM-UHFFFAOYSA-N 1 2 326.312 2.894 20 5 EFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000341713175 475243703 /nfs/dbraw/zinc/24/37/03/475243703.db2.gz OWKWSTGGLUVOMB-HNNXBMFYSA-N 1 2 339.355 2.691 20 5 EFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)Cn1cc[nH+]c1 ZINC000296272904 475249156 /nfs/dbraw/zinc/24/91/56/475249156.db2.gz GXVQNSKUWJBVCY-LLVKDONJSA-N 1 2 327.344 2.849 20 5 EFBDLO Cc1cc(NCCC(=O)OC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352416108 475272294 /nfs/dbraw/zinc/27/22/94/475272294.db2.gz DKLKELMYWWGTAQ-UHFFFAOYSA-N 1 2 344.371 2.536 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375082 475276846 /nfs/dbraw/zinc/27/68/46/475276846.db2.gz ZBEIUKOHDLMYKQ-KADHNRKRSA-N 1 2 340.445 2.753 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375082 475276854 /nfs/dbraw/zinc/27/68/54/475276854.db2.gz ZBEIUKOHDLMYKQ-KADHNRKRSA-N 1 2 340.445 2.753 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347375084 475277697 /nfs/dbraw/zinc/27/76/97/475277697.db2.gz ZBEIUKOHDLMYKQ-RNQWEJQRSA-N 1 2 340.445 2.753 20 5 EFBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347375084 475277707 /nfs/dbraw/zinc/27/77/07/475277707.db2.gz ZBEIUKOHDLMYKQ-RNQWEJQRSA-N 1 2 340.445 2.753 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000347376724 475279317 /nfs/dbraw/zinc/27/93/17/475279317.db2.gz OLDOLUPXCULKCI-WQMJKPAKSA-N 1 2 338.429 2.507 20 5 EFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000347376724 475279319 /nfs/dbraw/zinc/27/93/19/475279319.db2.gz OLDOLUPXCULKCI-WQMJKPAKSA-N 1 2 338.429 2.507 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000357945511 475282243 /nfs/dbraw/zinc/28/22/43/475282243.db2.gz OYICXYUPLQINHJ-UHFFFAOYSA-N 1 2 345.424 2.923 20 5 EFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000361239545 475295901 /nfs/dbraw/zinc/29/59/01/475295901.db2.gz VPVAKAYJMRXRAN-GFCCVEGCSA-N 1 2 348.428 2.514 20 5 EFBDLO C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1n1cc[nH+]c1 ZINC000347456608 475316201 /nfs/dbraw/zinc/31/62/01/475316201.db2.gz WQRPUKUXDVYIGU-WFASDCNBSA-N 1 2 338.371 2.822 20 5 EFBDLO Cn1c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccccc21 ZINC000352484504 475338705 /nfs/dbraw/zinc/33/87/05/475338705.db2.gz QEGPPOWAXHKLJL-UHFFFAOYSA-N 1 2 336.355 2.648 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCCF)CC1 ZINC000341833620 475340280 /nfs/dbraw/zinc/34/02/80/475340280.db2.gz GORAGYSNMRGDMY-UHFFFAOYSA-N 1 2 329.397 2.554 20 5 EFBDLO Cn1ncc2c1nc[nH+]c2NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000337869630 475393979 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EFBDLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361384029 475403217 /nfs/dbraw/zinc/40/32/17/475403217.db2.gz BEKXRNBCDZBRRG-QGZVFWFLSA-N 1 2 337.379 2.931 20 5 EFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000352550719 475404601 /nfs/dbraw/zinc/40/46/01/475404601.db2.gz PUAUYROQCLIAKM-UHFFFAOYSA-N 1 2 349.337 2.986 20 5 EFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000352550719 475404611 /nfs/dbraw/zinc/40/46/11/475404611.db2.gz PUAUYROQCLIAKM-UHFFFAOYSA-N 1 2 349.337 2.986 20 5 EFBDLO CC(C)[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000296694327 475433156 /nfs/dbraw/zinc/43/31/56/475433156.db2.gz KCVRJWUKVVCKKN-INIZCTEOSA-N 1 2 344.371 2.794 20 5 EFBDLO Cc1[nH+]c2ccccn2c1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620579 475464395 /nfs/dbraw/zinc/46/43/95/475464395.db2.gz GBLUNBNWUALGCI-UHFFFAOYSA-N 1 2 338.367 2.946 20 5 EFBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361530659 475523648 /nfs/dbraw/zinc/52/36/48/475523648.db2.gz ZZDLLCCFTHYGJB-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361530659 475523655 /nfs/dbraw/zinc/52/36/55/475523655.db2.gz ZZDLLCCFTHYGJB-XHDPSFHLSA-N 1 2 326.780 2.628 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339826490 475537819 /nfs/dbraw/zinc/53/78/19/475537819.db2.gz QJQIHCQCUAHODX-OAHLLOKOSA-N 1 2 335.404 2.589 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339826490 475537825 /nfs/dbraw/zinc/53/78/25/475537825.db2.gz QJQIHCQCUAHODX-OAHLLOKOSA-N 1 2 335.404 2.589 20 5 EFBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352694592 475539084 /nfs/dbraw/zinc/53/90/84/475539084.db2.gz VUALCNUJBIFHSH-UHFFFAOYSA-N 1 2 337.395 2.992 20 5 EFBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352694592 475539091 /nfs/dbraw/zinc/53/90/91/475539091.db2.gz VUALCNUJBIFHSH-UHFFFAOYSA-N 1 2 337.395 2.992 20 5 EFBDLO COc1cc[nH+]cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000348305950 475579114 /nfs/dbraw/zinc/57/91/14/475579114.db2.gz POWNWHSTIOQMCU-UHFFFAOYSA-N 1 2 335.747 2.511 20 5 EFBDLO COc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332328552 475603792 /nfs/dbraw/zinc/60/37/92/475603792.db2.gz OXGPFYBYBWQOIZ-WFASDCNBSA-N 1 2 344.371 2.523 20 5 EFBDLO CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000348366830 475623566 /nfs/dbraw/zinc/62/35/66/475623566.db2.gz JACFULRSQLOYRV-OAHLLOKOSA-N 1 2 349.822 2.850 20 5 EFBDLO CCOC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000355047593 475624050 /nfs/dbraw/zinc/62/40/50/475624050.db2.gz FTMYTQDBSKIDCK-XTKXOIQPSA-N 1 2 348.399 2.556 20 5 EFBDLO CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000348369578 475624372 /nfs/dbraw/zinc/62/43/72/475624372.db2.gz UWSONEYBNURZAD-HNNXBMFYSA-N 1 2 349.822 2.850 20 5 EFBDLO Cc1nccc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000332400734 475627374 /nfs/dbraw/zinc/62/73/74/475627374.db2.gz SKLVYUNAUBPWID-CYBMUJFWSA-N 1 2 327.388 2.576 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346531093 475637437 /nfs/dbraw/zinc/63/74/37/475637437.db2.gz LFSYZYRJVOBFAV-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346531093 475637446 /nfs/dbraw/zinc/63/74/46/475637446.db2.gz LFSYZYRJVOBFAV-QGZVFWFLSA-N 1 2 344.367 2.820 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348538981 475738263 /nfs/dbraw/zinc/73/82/63/475738263.db2.gz IYXIPIIHNYQYKO-INIZCTEOSA-N 1 2 341.367 2.989 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348538981 475738271 /nfs/dbraw/zinc/73/82/71/475738271.db2.gz IYXIPIIHNYQYKO-INIZCTEOSA-N 1 2 341.367 2.989 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348542681 475742403 /nfs/dbraw/zinc/74/24/03/475742403.db2.gz BFDCKPHNMDDDJS-KRWDZBQOSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348542681 475742413 /nfs/dbraw/zinc/74/24/13/475742413.db2.gz BFDCKPHNMDDDJS-KRWDZBQOSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348542682 475742995 /nfs/dbraw/zinc/74/29/95/475742995.db2.gz BFDCKPHNMDDDJS-QGZVFWFLSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348542682 475743003 /nfs/dbraw/zinc/74/30/03/475743003.db2.gz BFDCKPHNMDDDJS-QGZVFWFLSA-N 1 2 340.383 2.536 20 5 EFBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348543431 475744121 /nfs/dbraw/zinc/74/41/21/475744121.db2.gz IUMLCUVAVRSQLB-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348543431 475744128 /nfs/dbraw/zinc/74/41/28/475744128.db2.gz IUMLCUVAVRSQLB-CYBMUJFWSA-N 1 2 328.372 2.757 20 5 EFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338285646 475747572 /nfs/dbraw/zinc/74/75/72/475747572.db2.gz UIBUCEYQCPSJIE-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338285646 475747581 /nfs/dbraw/zinc/74/75/81/475747581.db2.gz UIBUCEYQCPSJIE-JTQLQIEISA-N 1 2 333.310 2.746 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353213220 475774963 /nfs/dbraw/zinc/77/49/63/475774963.db2.gz RQFASPCQMXTQCV-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353213220 475774971 /nfs/dbraw/zinc/77/49/71/475774971.db2.gz RQFASPCQMXTQCV-ZDUSSCGKSA-N 1 2 327.331 2.961 20 5 EFBDLO COc1cc[nH+]cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000346709407 475785377 /nfs/dbraw/zinc/78/53/77/475785377.db2.gz XYYRMNULIGRISK-UHFFFAOYSA-N 1 2 326.312 2.592 20 5 EFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(F)cncc1F ZINC000353241411 475797917 /nfs/dbraw/zinc/79/79/17/475797917.db2.gz ZJWKNOQZGMLHKR-QMMMGPOBSA-N 1 2 333.298 2.995 20 5 EFBDLO Cc1c(C[N@H+](C)CC(=O)NCc2cccs2)cccc1[N+](=O)[O-] ZINC000353269251 475819910 /nfs/dbraw/zinc/81/99/10/475819910.db2.gz BCACJVFHCBPTKG-UHFFFAOYSA-N 1 2 333.413 2.713 20 5 EFBDLO Cc1c(C[N@@H+](C)CC(=O)NCc2cccs2)cccc1[N+](=O)[O-] ZINC000353269251 475819921 /nfs/dbraw/zinc/81/99/21/475819921.db2.gz BCACJVFHCBPTKG-UHFFFAOYSA-N 1 2 333.413 2.713 20 5 EFBDLO Cc1c(CNC(=O)NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000358674451 475850335 /nfs/dbraw/zinc/85/03/35/475850335.db2.gz AIILFFNIGJOTHR-UHFFFAOYSA-N 1 2 343.387 2.600 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340205550 475856691 /nfs/dbraw/zinc/85/66/91/475856691.db2.gz YYZLWKQHGMVSKM-GXTWGEPZSA-N 1 2 348.321 2.881 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340205550 475856698 /nfs/dbraw/zinc/85/66/98/475856698.db2.gz YYZLWKQHGMVSKM-GXTWGEPZSA-N 1 2 348.321 2.881 20 5 EFBDLO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(F)F ZINC000297710901 475863551 /nfs/dbraw/zinc/86/35/51/475863551.db2.gz AYAUJCZUNPXQEK-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(F)F ZINC000297710901 475863554 /nfs/dbraw/zinc/86/35/54/475863554.db2.gz AYAUJCZUNPXQEK-UHFFFAOYSA-N 1 2 345.346 2.909 20 5 EFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000353332573 475876816 /nfs/dbraw/zinc/87/68/16/475876816.db2.gz SSHBYLKULIAABF-UHFFFAOYSA-N 1 2 325.328 2.607 20 5 EFBDLO Cc1cc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000361949496 475891668 /nfs/dbraw/zinc/89/16/68/475891668.db2.gz KGRBHZZTJXEFIT-UHFFFAOYSA-N 1 2 337.339 2.761 20 5 EFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343264395 475903188 /nfs/dbraw/zinc/90/31/88/475903188.db2.gz UGFOJCOGOBVGMG-CYBMUJFWSA-N 1 2 337.420 2.905 20 5 EFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343264395 475903196 /nfs/dbraw/zinc/90/31/96/475903196.db2.gz UGFOJCOGOBVGMG-CYBMUJFWSA-N 1 2 337.420 2.905 20 5 EFBDLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1OC ZINC000358780463 475932241 /nfs/dbraw/zinc/93/22/41/475932241.db2.gz NEZJEQWNNDCNSD-UHFFFAOYSA-N 1 2 342.311 2.512 20 5 EFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340317330 475942702 /nfs/dbraw/zinc/94/27/02/475942702.db2.gz XFENFWQVCADJNW-MRXNPFEDSA-N 1 2 341.346 2.774 20 5 EFBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000353411189 475947264 /nfs/dbraw/zinc/94/72/64/475947264.db2.gz XZHNFKYHHIMLNM-MRXNPFEDSA-N 1 2 341.346 2.742 20 5 EFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])s1 ZINC000343361194 475986768 /nfs/dbraw/zinc/98/67/68/475986768.db2.gz NPLXYOWFJYCFIK-UHFFFAOYSA-N 1 2 329.341 2.548 20 5 EFBDLO Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000343364079 475988736 /nfs/dbraw/zinc/98/87/36/475988736.db2.gz XXXGDCCUNOZKGR-UHFFFAOYSA-N 1 2 337.339 2.795 20 5 EFBDLO Cc1noc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000343388730 476012840 /nfs/dbraw/zinc/01/28/40/476012840.db2.gz LEPYXLPEMSUPDX-HNNXBMFYSA-N 1 2 332.360 2.544 20 5 EFBDLO CC[C@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000298304439 476050712 /nfs/dbraw/zinc/05/07/12/476050712.db2.gz MEFOKZBZFCPXGB-RISCZKNCSA-N 1 2 332.360 2.817 20 5 EFBDLO CC[C@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000298304439 476050720 /nfs/dbraw/zinc/05/07/20/476050720.db2.gz MEFOKZBZFCPXGB-RISCZKNCSA-N 1 2 332.360 2.817 20 5 EFBDLO Cn1ccnc1[C@@H]([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353534780 476054461 /nfs/dbraw/zinc/05/44/61/476054461.db2.gz USMISWBVDVCAON-LBPRGKRZSA-N 1 2 328.294 2.960 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])o1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000358942899 476058846 /nfs/dbraw/zinc/05/88/46/476058846.db2.gz CCJXMHKLZWJGCV-UHFFFAOYSA-N 1 2 330.275 2.897 20 5 EFBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000358957975 476069693 /nfs/dbraw/zinc/06/96/93/476069693.db2.gz XQUQHGRZDREIAD-VIFPVBQESA-N 1 2 342.277 2.709 20 5 EFBDLO Cc1[nH]nc2ncc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000356521595 476108300 /nfs/dbraw/zinc/10/83/00/476108300.db2.gz HTBIVXZLPHRFBW-UHFFFAOYSA-N 1 2 339.355 2.569 20 5 EFBDLO Cc1[nH]nc2ncc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000356521595 476108305 /nfs/dbraw/zinc/10/83/05/476108305.db2.gz HTBIVXZLPHRFBW-UHFFFAOYSA-N 1 2 339.355 2.569 20 5 EFBDLO CCc1nn(C)cc1N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353600594 476114271 /nfs/dbraw/zinc/11/42/71/476114271.db2.gz YUBJAFCUWKSFJH-MRXNPFEDSA-N 1 2 340.387 2.826 20 5 EFBDLO COc1ccc(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000353619096 476128317 /nfs/dbraw/zinc/12/83/17/476128317.db2.gz HXWBLAIXVXIJRH-MRXNPFEDSA-N 1 2 339.355 2.933 20 5 EFBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000359080496 476170797 /nfs/dbraw/zinc/17/07/97/476170797.db2.gz FYOAQILFFUWGEC-UHFFFAOYSA-N 1 2 329.360 2.582 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000357033172 476173516 /nfs/dbraw/zinc/17/35/16/476173516.db2.gz DZWMVPMBMGGHAZ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000357033172 476173519 /nfs/dbraw/zinc/17/35/19/476173519.db2.gz DZWMVPMBMGGHAZ-UHFFFAOYSA-N 1 2 326.352 2.940 20 5 EFBDLO Cn1ccnc1[C@H]([NH2+]CCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000353679517 476181910 /nfs/dbraw/zinc/18/19/10/476181910.db2.gz HCUAYWBBIJYHRM-GFCCVEGCSA-N 1 2 344.293 2.544 20 5 EFBDLO Cc1[nH+]c2ccccn2c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357059960 476195600 /nfs/dbraw/zinc/19/56/00/476195600.db2.gz UQQUHHMZIYCGOU-UHFFFAOYSA-N 1 2 331.353 2.525 20 5 EFBDLO COCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000336921584 476207834 /nfs/dbraw/zinc/20/78/34/476207834.db2.gz HHHCDCGSYOUQFG-UHFFFAOYSA-N 1 2 349.431 2.656 20 5 EFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347292013 476235943 /nfs/dbraw/zinc/23/59/43/476235943.db2.gz VBGIAVIHDWCGDI-HNNXBMFYSA-N 1 2 346.318 2.814 20 5 EFBDLO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1=O ZINC000353746202 476239946 /nfs/dbraw/zinc/23/99/46/476239946.db2.gz LWWDMTWXXILGBK-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1=O ZINC000353746202 476239948 /nfs/dbraw/zinc/23/99/48/476239948.db2.gz LWWDMTWXXILGBK-UHFFFAOYSA-N 1 2 343.383 2.907 20 5 EFBDLO Cc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000353747635 476241115 /nfs/dbraw/zinc/24/11/15/476241115.db2.gz PORLOVGTMMXKLP-UHFFFAOYSA-N 1 2 329.356 2.797 20 5 EFBDLO Cc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000353747635 476241124 /nfs/dbraw/zinc/24/11/24/476241124.db2.gz PORLOVGTMMXKLP-UHFFFAOYSA-N 1 2 329.356 2.797 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000362437182 476247435 /nfs/dbraw/zinc/24/74/35/476247435.db2.gz IPHYEKKQLYGDKY-UHFFFAOYSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000362442296 476252961 /nfs/dbraw/zinc/25/29/61/476252961.db2.gz WGQVHEBNDWKKQI-UHFFFAOYSA-N 1 2 347.415 2.733 20 5 EFBDLO Cc1cc(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350594930 476259375 /nfs/dbraw/zinc/25/93/75/476259375.db2.gz LDABGRJRKFTREI-ZDUSSCGKSA-N 1 2 348.428 2.814 20 5 EFBDLO Cc1cc(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350594930 476259382 /nfs/dbraw/zinc/25/93/82/476259382.db2.gz LDABGRJRKFTREI-ZDUSSCGKSA-N 1 2 348.428 2.814 20 5 EFBDLO CCc1cc(NCC[C@H](O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000357163978 476271415 /nfs/dbraw/zinc/27/14/15/476271415.db2.gz DKBSSJPSISGUPJ-OAHLLOKOSA-N 1 2 330.388 2.609 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCO3)no2)cc1-n1cc[nH+]c1 ZINC000351052782 476328051 /nfs/dbraw/zinc/32/80/51/476328051.db2.gz DGHBVJLHQBXGBV-CYBMUJFWSA-N 1 2 327.300 2.682 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357330781 476334213 /nfs/dbraw/zinc/33/42/13/476334213.db2.gz CSPNLAYUCHHRBU-UHFFFAOYSA-N 1 2 348.366 2.730 20 5 EFBDLO Cc1ccc[nH+]c1CCc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000351133883 476345081 /nfs/dbraw/zinc/34/50/81/476345081.db2.gz UNQHRNIEYNMCOK-UHFFFAOYSA-N 1 2 342.359 2.980 20 5 EFBDLO COc1ccc(C[N@H+](CC(N)=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353988994 476348614 /nfs/dbraw/zinc/34/86/14/476348614.db2.gz YYOBLUIDKLWJNQ-ZDUSSCGKSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1ccc(C[N@@H+](CC(N)=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353988994 476348616 /nfs/dbraw/zinc/34/86/16/476348616.db2.gz YYOBLUIDKLWJNQ-ZDUSSCGKSA-N 1 2 343.383 2.652 20 5 EFBDLO COc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360745197 476362924 /nfs/dbraw/zinc/36/29/24/476362924.db2.gz AHHYQXQIRYJOJV-OAHLLOKOSA-N 1 2 341.367 2.816 20 5 EFBDLO COc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360745197 476362926 /nfs/dbraw/zinc/36/29/26/476362926.db2.gz AHHYQXQIRYJOJV-OAHLLOKOSA-N 1 2 341.367 2.816 20 5 EFBDLO COc1ccc(NC(=O)C[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000362729418 476373241 /nfs/dbraw/zinc/37/32/41/476373241.db2.gz PMXGVUAAKDHWOD-UHFFFAOYSA-N 1 2 343.330 2.519 20 5 EFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357435636 476382196 /nfs/dbraw/zinc/38/21/96/476382196.db2.gz HZMZCMHVNWCXKQ-UHFFFAOYSA-N 1 2 348.322 2.681 20 5 EFBDLO Cc1cc(N2CC[C@@](O)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000377467563 476407651 /nfs/dbraw/zinc/40/76/51/476407651.db2.gz GUZUZSVAOTYWEF-SFHVURJKSA-N 1 2 340.383 2.711 20 5 EFBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363492610 476408720 /nfs/dbraw/zinc/40/87/20/476408720.db2.gz FVMYWSJUHRQTPL-CQSZACIVSA-N 1 2 346.387 2.683 20 5 EFBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363492610 476408727 /nfs/dbraw/zinc/40/87/27/476408727.db2.gz FVMYWSJUHRQTPL-CQSZACIVSA-N 1 2 346.387 2.683 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000354120591 476442025 /nfs/dbraw/zinc/44/20/25/476442025.db2.gz UFQSHLTVKUGXDW-UHFFFAOYSA-N 1 2 343.387 2.526 20 5 EFBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000362951253 476499638 /nfs/dbraw/zinc/49/96/38/476499638.db2.gz LOEKLZWJPUTIEG-GFCCVEGCSA-N 1 2 338.371 2.934 20 5 EFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377753584 476561337 /nfs/dbraw/zinc/56/13/37/476561337.db2.gz IHSBDTYQRRWZET-SNVBAGLBSA-N 1 2 334.763 2.991 20 5 EFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(Cl)s3)CC2)n1 ZINC000365520020 476601247 /nfs/dbraw/zinc/60/12/47/476601247.db2.gz WZVHINXDCNXOSF-UHFFFAOYSA-N 1 2 327.797 2.738 20 5 EFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365520527 476601357 /nfs/dbraw/zinc/60/13/57/476601357.db2.gz UWZWOTUVGZVYSI-CYBMUJFWSA-N 1 2 347.758 2.937 20 5 EFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCn2c[nH+]cc2C1 ZINC000365748519 476685199 /nfs/dbraw/zinc/68/51/99/476685199.db2.gz UCTZEZNUAXUJME-UHFFFAOYSA-N 1 2 328.353 2.662 20 5 EFBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2n1[C@H](C)CO ZINC000456737976 476716973 /nfs/dbraw/zinc/71/69/73/476716973.db2.gz XXAUCZHKYLTBNU-SECBINFHSA-N 1 2 344.327 2.652 20 5 EFBDLO COc1cccc(C2(F)CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000370247204 476721614 /nfs/dbraw/zinc/72/16/14/476721614.db2.gz MPORCPGBAUOGCT-UHFFFAOYSA-N 1 2 348.378 2.798 20 5 EFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000430215828 476784532 /nfs/dbraw/zinc/78/45/32/476784532.db2.gz HOJBZAYFOBPBIN-UHFFFAOYSA-N 1 2 343.383 2.631 20 5 EFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370565500 476874810 /nfs/dbraw/zinc/87/48/10/476874810.db2.gz KVYLTANPKFLAEO-KGLIPLIRSA-N 1 2 340.811 2.699 20 5 EFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4c3OCCO4)nc2c1 ZINC000446842094 476926638 /nfs/dbraw/zinc/92/66/38/476926638.db2.gz CUWAXHCKTFYDDI-UHFFFAOYSA-N 1 2 340.339 2.532 20 5 EFBDLO CCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446849436 476927374 /nfs/dbraw/zinc/92/73/74/476927374.db2.gz YKUPKWZSAVHSCZ-UHFFFAOYSA-N 1 2 327.344 2.555 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430924744 476937547 /nfs/dbraw/zinc/93/75/47/476937547.db2.gz JDDIRICRRYUVMM-INIZCTEOSA-N 1 2 344.415 2.552 20 5 EFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430924744 476937552 /nfs/dbraw/zinc/93/75/52/476937552.db2.gz JDDIRICRRYUVMM-INIZCTEOSA-N 1 2 344.415 2.552 20 5 EFBDLO Cc1c(CC(=O)Nc2nc(C[NH+](C)C)cs2)cccc1[N+](=O)[O-] ZINC000457311957 476969326 /nfs/dbraw/zinc/96/93/26/476969326.db2.gz KZYNAWCAOJJIKA-UHFFFAOYSA-N 1 2 334.401 2.603 20 5 EFBDLO CCC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457362986 476989806 /nfs/dbraw/zinc/98/98/06/476989806.db2.gz UVIDMSUWPNUDSK-UHFFFAOYSA-N 1 2 346.387 2.716 20 5 EFBDLO CCc1cc(N)nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH+]1 ZINC000447790019 477055543 /nfs/dbraw/zinc/05/55/43/477055543.db2.gz YFXRONRDKHGAPX-UHFFFAOYSA-N 1 2 330.373 2.528 20 5 EFBDLO CCOC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812481 477064201 /nfs/dbraw/zinc/06/42/01/477064201.db2.gz RNNIKGHYYVBSIL-UHFFFAOYSA-N 1 2 337.420 2.654 20 5 EFBDLO C[C@H](C[C@H]1CCCO1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816161 477064823 /nfs/dbraw/zinc/06/48/23/477064823.db2.gz JBIHVQNUIGMWFU-GDBMZVCRSA-N 1 2 349.431 2.797 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH+]c2n1CCCC2 ZINC000452753423 477072295 /nfs/dbraw/zinc/07/22/95/477072295.db2.gz JSXWIJXURDAUCG-UHFFFAOYSA-N 1 2 334.763 2.962 20 5 EFBDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000423694135 477111635 /nfs/dbraw/zinc/11/16/35/477111635.db2.gz HPSVVCCUPROMGY-LBPRGKRZSA-N 1 2 341.358 2.693 20 5 EFBDLO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C2CC2)[nH+]1 ZINC000376046162 477148323 /nfs/dbraw/zinc/14/83/23/477148323.db2.gz IFFDYHQHZKOBLM-UHFFFAOYSA-N 1 2 328.376 2.609 20 5 EFBDLO CC(C)[NH+]1CC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457748435 477177879 /nfs/dbraw/zinc/17/78/79/477177879.db2.gz QCAXZZCBQFFKLO-UHFFFAOYSA-N 1 2 346.412 2.541 20 5 EFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000366806039 477197409 /nfs/dbraw/zinc/19/74/09/477197409.db2.gz GCLSJUDBBLBRSI-UHFFFAOYSA-N 1 2 332.335 2.539 20 5 EFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000376202744 477226708 /nfs/dbraw/zinc/22/67/08/477226708.db2.gz FBDXQKLVZJLKNH-ZDUSSCGKSA-N 1 2 328.372 2.716 20 5 EFBDLO Cc1cc(N2CCOC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371317395 477238201 /nfs/dbraw/zinc/23/82/01/477238201.db2.gz AZSVGRQCQDDHAQ-LBPRGKRZSA-N 1 2 328.372 2.833 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000453601663 477248713 /nfs/dbraw/zinc/24/87/13/477248713.db2.gz UQBXUKAYFXJNFO-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000453601663 477248716 /nfs/dbraw/zinc/24/87/16/477248716.db2.gz UQBXUKAYFXJNFO-UHFFFAOYSA-N 1 2 342.351 2.645 20 5 EFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1[N+](=O)[O-] ZINC000453622452 477255487 /nfs/dbraw/zinc/25/54/87/477255487.db2.gz XBZUMXYQGACIQW-UHFFFAOYSA-N 1 2 332.404 2.594 20 5 EFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1[N+](=O)[O-] ZINC000453622452 477255493 /nfs/dbraw/zinc/25/54/93/477255493.db2.gz XBZUMXYQGACIQW-UHFFFAOYSA-N 1 2 332.404 2.594 20 5 EFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000424202366 477329028 /nfs/dbraw/zinc/32/90/28/477329028.db2.gz POFDJXWLRZOCRL-SSDOTTSWSA-N 1 2 327.387 2.750 20 5 EFBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000367086890 477337864 /nfs/dbraw/zinc/33/78/64/477337864.db2.gz NQGYNDPNEOZYNT-OAHLLOKOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000367086890 477337869 /nfs/dbraw/zinc/33/78/69/477337869.db2.gz NQGYNDPNEOZYNT-OAHLLOKOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC(F)F)C1CC1 ZINC000448930626 477346844 /nfs/dbraw/zinc/34/68/44/477346844.db2.gz RYGNZGHRALZAOH-UHFFFAOYSA-N 1 2 336.298 2.650 20 5 EFBDLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371535157 477376514 /nfs/dbraw/zinc/37/65/14/477376514.db2.gz BHMNKMRWBQCPNJ-GFCCVEGCSA-N 1 2 349.778 2.747 20 5 EFBDLO CC(C)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412075994 477406664 /nfs/dbraw/zinc/40/66/64/477406664.db2.gz KMLUAGUCFKYJSH-LLVKDONJSA-N 1 2 325.796 2.737 20 5 EFBDLO CC(C)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412075994 477406672 /nfs/dbraw/zinc/40/66/72/477406672.db2.gz KMLUAGUCFKYJSH-LLVKDONJSA-N 1 2 325.796 2.737 20 5 EFBDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000376678372 477457600 /nfs/dbraw/zinc/45/76/00/477457600.db2.gz HWYLHGIRFWUHQU-INIZCTEOSA-N 1 2 346.387 2.852 20 5 EFBDLO CC(C)(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000413028067 477476244 /nfs/dbraw/zinc/47/62/44/477476244.db2.gz NXXHPMFGSOBPSA-UHFFFAOYSA-N 1 2 348.325 2.531 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOC[C@@H]3CCCO3)c2c1 ZINC000413038016 477481902 /nfs/dbraw/zinc/48/19/02/477481902.db2.gz RBBMESWEOKQLSD-HNNXBMFYSA-N 1 2 331.372 2.563 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455113702 477503537 /nfs/dbraw/zinc/50/35/37/477503537.db2.gz VIUHTHUFEHADFR-RYUDHWBXSA-N 1 2 331.376 2.933 20 5 EFBDLO CNC(=O)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413093397 477511479 /nfs/dbraw/zinc/51/14/79/477511479.db2.gz IYCPAIJDYJRAPZ-UHFFFAOYSA-N 1 2 328.372 2.860 20 5 EFBDLO NC(=O)CC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413117371 477527902 /nfs/dbraw/zinc/52/79/02/477527902.db2.gz RGROPLABUMBMGC-GFCCVEGCSA-N 1 2 328.372 2.625 20 5 EFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000413122683 477532264 /nfs/dbraw/zinc/53/22/64/477532264.db2.gz KRSSUGMOBPWKRJ-NXEZZACHSA-N 1 2 348.325 2.530 20 5 EFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000413122684 477532482 /nfs/dbraw/zinc/53/24/82/477532482.db2.gz KRSSUGMOBPWKRJ-UWVGGRQHSA-N 1 2 348.325 2.530 20 5 EFBDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449333231 477551892 /nfs/dbraw/zinc/55/18/92/477551892.db2.gz FXVJZOOUNMSVPK-RYUDHWBXSA-N 1 2 334.376 2.796 20 5 EFBDLO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436673911 477554116 /nfs/dbraw/zinc/55/41/16/477554116.db2.gz STMUERHKRGKDAL-UHFFFAOYSA-N 1 2 343.383 2.682 20 5 EFBDLO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436673911 477554123 /nfs/dbraw/zinc/55/41/23/477554123.db2.gz STMUERHKRGKDAL-UHFFFAOYSA-N 1 2 343.383 2.682 20 5 EFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](COCC4CC4)C3)c2c1 ZINC000413223369 477578751 /nfs/dbraw/zinc/57/87/51/477578751.db2.gz DBCAMFBJFQGSFA-INIZCTEOSA-N 1 2 343.383 2.775 20 5 EFBDLO COc1c(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c(C)nn1C ZINC000413227880 477579894 /nfs/dbraw/zinc/57/98/94/477579894.db2.gz IVFMNVSNJXYOFS-UHFFFAOYSA-N 1 2 327.344 2.806 20 5 EFBDLO CCNC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413256866 477592464 /nfs/dbraw/zinc/59/24/64/477592464.db2.gz DIZFEWQBARARPU-UHFFFAOYSA-N 1 2 328.372 2.861 20 5 EFBDLO O=C1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000413284826 477609747 /nfs/dbraw/zinc/60/97/47/477609747.db2.gz PPXLDEFIQUYPNT-GJZGRUSLSA-N 1 2 326.356 2.708 20 5 EFBDLO O=C([C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000413295579 477615000 /nfs/dbraw/zinc/61/50/00/477615000.db2.gz PWZJVZFWZRLULM-CQSZACIVSA-N 1 2 340.383 2.592 20 5 EFBDLO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC000436870572 477620285 /nfs/dbraw/zinc/62/02/85/477620285.db2.gz NVLLBIWIUKSBHX-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC000436870572 477620290 /nfs/dbraw/zinc/62/02/90/477620290.db2.gz NVLLBIWIUKSBHX-UHFFFAOYSA-N 1 2 343.383 2.552 20 5 EFBDLO CCc1cc(NCC[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450567196 477637122 /nfs/dbraw/zinc/63/71/22/477637122.db2.gz QLIXWPRYLUEVEC-CYBMUJFWSA-N 1 2 344.415 2.857 20 5 EFBDLO Cc1cc(NCC[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450569806 477637601 /nfs/dbraw/zinc/63/76/01/477637601.db2.gz VTAXVACIMHGQCS-GFCCVEGCSA-N 1 2 330.388 2.603 20 5 EFBDLO CC(C)c1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000450572115 477638557 /nfs/dbraw/zinc/63/85/57/477638557.db2.gz SFAOGFMSRMXURK-NSHDSACASA-N 1 2 348.432 2.651 20 5 EFBDLO CC(C)c1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000450572115 477638563 /nfs/dbraw/zinc/63/85/63/477638563.db2.gz SFAOGFMSRMXURK-NSHDSACASA-N 1 2 348.432 2.651 20 5 EFBDLO Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413376421 477653305 /nfs/dbraw/zinc/65/33/05/477653305.db2.gz MPGFJAVIUARTLG-IUODEOHRSA-N 1 2 328.372 2.762 20 5 EFBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[N@H+](C)Cc1ccccc1 ZINC000436972141 477654494 /nfs/dbraw/zinc/65/44/94/477654494.db2.gz MVKAQKXZFJPJPS-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000436972141 477654502 /nfs/dbraw/zinc/65/45/02/477654502.db2.gz MVKAQKXZFJPJPS-CYBMUJFWSA-N 1 2 343.383 2.551 20 5 EFBDLO Cc1cc(C)c(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000455555284 477681938 /nfs/dbraw/zinc/68/19/38/477681938.db2.gz FHJDQEIHWCFJBW-UHFFFAOYSA-N 1 2 342.399 2.991 20 5 EFBDLO C[C@@H]1COCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422907 477683146 /nfs/dbraw/zinc/68/31/46/477683146.db2.gz PZOCFVALSNNVLY-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@@H]1COCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422907 477683150 /nfs/dbraw/zinc/68/31/50/477683150.db2.gz PZOCFVALSNNVLY-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO Cc1cc(C)c(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000455561828 477685117 /nfs/dbraw/zinc/68/51/17/477685117.db2.gz RGTWGJWPCFAMKW-UHFFFAOYSA-N 1 2 343.387 2.518 20 5 EFBDLO COCC[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413498942 477701268 /nfs/dbraw/zinc/70/12/68/477701268.db2.gz YAWSZLSDIQDSSW-LBPRGKRZSA-N 1 2 330.388 2.867 20 5 EFBDLO Cc1cc(N[C@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450786955 477716309 /nfs/dbraw/zinc/71/63/09/477716309.db2.gz AZUQMMMDMLFPTA-HNNXBMFYSA-N 1 2 340.383 2.763 20 5 EFBDLO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2[nH+]ccn21 ZINC000450827082 477731238 /nfs/dbraw/zinc/73/12/38/477731238.db2.gz GXIBVHCWGOTZGH-RNCFNFMXSA-N 1 2 327.344 2.794 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372283757 477734385 /nfs/dbraw/zinc/73/43/85/477734385.db2.gz ZXEBHLRURUTZJJ-ZDUSSCGKSA-N 1 2 343.387 2.967 20 5 EFBDLO CC[C@@H]1C[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](CC)O1 ZINC000420961278 477858500 /nfs/dbraw/zinc/85/85/00/477858500.db2.gz SDSVQONJPBBGGM-ZACQAIPSSA-N 1 2 347.415 2.590 20 5 EFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH+]ccn2CC)c1 ZINC000456347242 477876536 /nfs/dbraw/zinc/87/65/36/477876536.db2.gz HVZDAIUYPMSUIL-LLVKDONJSA-N 1 2 332.360 2.701 20 5 EFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000456350490 477879167 /nfs/dbraw/zinc/87/91/67/477879167.db2.gz KDYKKTAGLAGEJS-GFCCVEGCSA-N 1 2 330.388 2.966 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456350265 477879324 /nfs/dbraw/zinc/87/93/24/477879324.db2.gz AHRDUAUWHBNKQX-JTQLQIEISA-N 1 2 327.344 2.784 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456362303 477886697 /nfs/dbraw/zinc/88/66/97/477886697.db2.gz DWPLBAAXHXEKEW-QWHCGFSZSA-N 1 2 344.371 2.691 20 5 EFBDLO Cc1cc(N[C@@H](CO)C2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000558604185 477894501 /nfs/dbraw/zinc/89/45/01/477894501.db2.gz DBCOYCIGVKOXQC-INIZCTEOSA-N 1 2 342.399 2.745 20 5 EFBDLO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1=O ZINC000428436330 477895555 /nfs/dbraw/zinc/89/55/55/477895555.db2.gz CAPGBIRXFKGCDY-CYBMUJFWSA-N 1 2 343.383 2.907 20 5 EFBDLO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1=O ZINC000428436330 477895562 /nfs/dbraw/zinc/89/55/62/477895562.db2.gz CAPGBIRXFKGCDY-CYBMUJFWSA-N 1 2 343.383 2.907 20 5 EFBDLO C[C@@H]1C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456375874 477897036 /nfs/dbraw/zinc/89/70/36/477897036.db2.gz KJCPDCJYDKRHTQ-GHMZBOCLSA-N 1 2 332.385 2.706 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2[nH+]ccn21 ZINC000456401672 477914318 /nfs/dbraw/zinc/91/43/18/477914318.db2.gz VXSHEGQEHVFPGE-FZMZJTMJSA-N 1 2 339.355 2.568 20 5 EFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000456404374 477915924 /nfs/dbraw/zinc/91/59/24/477915924.db2.gz XGCKCDBHVPSDPG-LBPRGKRZSA-N 1 2 341.371 2.643 20 5 EFBDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456421634 477925555 /nfs/dbraw/zinc/92/55/55/477925555.db2.gz NOWULGWPPDEBCK-BONVTDFDSA-N 1 2 339.355 2.637 20 5 EFBDLO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000494285773 477958888 /nfs/dbraw/zinc/95/88/88/477958888.db2.gz STYSODPOEIWBMZ-NSHDSACASA-N 1 2 327.331 2.901 20 5 EFBDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000494285773 477958892 /nfs/dbraw/zinc/95/88/92/477958892.db2.gz STYSODPOEIWBMZ-NSHDSACASA-N 1 2 327.331 2.901 20 5 EFBDLO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(N)=O ZINC000428848501 477996099 /nfs/dbraw/zinc/99/60/99/477996099.db2.gz IINDQAWNFRUDKR-MGPLVRAMSA-N 1 2 349.337 2.620 20 5 EFBDLO Cn1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C(C)(C)C)n1 ZINC000459617740 478012298 /nfs/dbraw/zinc/01/22/98/478012298.db2.gz BYOGWMQZDPFFED-UHFFFAOYSA-N 1 2 344.415 2.889 20 5 EFBDLO Cc1ccc2[nH+]c(CN3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cn2c1 ZINC000459619484 478012740 /nfs/dbraw/zinc/01/27/40/478012740.db2.gz IZENEVKZFGNLBX-UHFFFAOYSA-N 1 2 338.367 2.814 20 5 EFBDLO CC[C@@H](C[C@H](C)CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439710880 478020684 /nfs/dbraw/zinc/02/06/84/478020684.db2.gz PHVPJRBMLLWWGJ-WFASDCNBSA-N 1 2 344.415 2.991 20 5 EFBDLO CCSCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451459074 478028336 /nfs/dbraw/zinc/02/83/36/478028336.db2.gz HUSPGJYVWKNSFL-UHFFFAOYSA-N 1 2 334.401 2.654 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533394994 478075393 /nfs/dbraw/zinc/07/53/93/478075393.db2.gz JGAAFLNBZOZYND-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2C1 ZINC000533394994 478075398 /nfs/dbraw/zinc/07/53/98/478075398.db2.gz JGAAFLNBZOZYND-LBPRGKRZSA-N 1 2 341.367 2.686 20 5 EFBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487935967 478087587 /nfs/dbraw/zinc/08/75/87/478087587.db2.gz UBYWHPMQXWOUNP-UHFFFAOYSA-N 1 2 334.335 2.914 20 5 EFBDLO COc1ccc2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000429245808 478090441 /nfs/dbraw/zinc/09/04/41/478090441.db2.gz LNYYPBMHYQXTQZ-UHFFFAOYSA-N 1 2 341.371 2.900 20 5 EFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574149 478102810 /nfs/dbraw/zinc/10/28/10/478102810.db2.gz RFTOEPMQFFMPJJ-YGRLFVJLSA-N 1 2 341.795 2.544 20 5 EFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574149 478102818 /nfs/dbraw/zinc/10/28/18/478102818.db2.gz RFTOEPMQFFMPJJ-YGRLFVJLSA-N 1 2 341.795 2.544 20 5 EFBDLO Cc1ccoc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000429406924 478130952 /nfs/dbraw/zinc/13/09/52/478130952.db2.gz NORTXLDSDFBRSO-HNNXBMFYSA-N 1 2 329.356 2.734 20 5 EFBDLO Cc1ccoc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000429406924 478130958 /nfs/dbraw/zinc/13/09/58/478130958.db2.gz NORTXLDSDFBRSO-HNNXBMFYSA-N 1 2 329.356 2.734 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429493105 478144297 /nfs/dbraw/zinc/14/42/97/478144297.db2.gz PJXLIINAIGUCPR-UHFFFAOYSA-N 1 2 328.372 2.708 20 5 EFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000429673403 478170382 /nfs/dbraw/zinc/17/03/82/478170382.db2.gz QZCQVUMTKOVBJS-QGZVFWFLSA-N 1 2 329.356 2.558 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CC(F)(F)C1 ZINC000518475588 478170597 /nfs/dbraw/zinc/17/05/97/478170597.db2.gz XECFJQBGNULZHF-UHFFFAOYSA-N 1 2 327.331 2.637 20 5 EFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C(F)F ZINC000451716142 478174362 /nfs/dbraw/zinc/17/43/62/478174362.db2.gz MDIURLQDKIWYJM-GFCCVEGCSA-N 1 2 336.298 2.650 20 5 EFBDLO C[C@@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000562301483 478229574 /nfs/dbraw/zinc/22/95/74/478229574.db2.gz DCBZGYRUMFGRFN-CYBMUJFWSA-N 1 2 342.399 2.890 20 5 EFBDLO O=C(N[C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590679671 478286793 /nfs/dbraw/zinc/28/67/93/478286793.db2.gz QYEOWFOZGXLRQC-NSHDSACASA-N 1 2 336.298 2.698 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000537367609 478297997 /nfs/dbraw/zinc/29/79/97/478297997.db2.gz GEYJPMRHNGZVRD-QGZVFWFLSA-N 1 2 342.395 2.917 20 5 EFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000537367609 478298003 /nfs/dbraw/zinc/29/80/03/478298003.db2.gz GEYJPMRHNGZVRD-QGZVFWFLSA-N 1 2 342.395 2.917 20 5 EFBDLO CC(C)Oc1nc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000570293151 478331036 /nfs/dbraw/zinc/33/10/36/478331036.db2.gz SWUMFVUWMIQPFW-UHFFFAOYSA-N 1 2 331.376 2.508 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594334791 478333438 /nfs/dbraw/zinc/33/34/38/478333438.db2.gz KJDBVDRBCQOPIN-AWEZNQCLSA-N 1 2 341.367 2.761 20 5 EFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594334791 478333446 /nfs/dbraw/zinc/33/34/46/478333446.db2.gz KJDBVDRBCQOPIN-AWEZNQCLSA-N 1 2 341.367 2.761 20 5 EFBDLO CC(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000538321682 478354236 /nfs/dbraw/zinc/35/42/36/478354236.db2.gz XHLYYJDYLOPGOB-OAHLLOKOSA-N 1 2 338.404 2.930 20 5 EFBDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000594508190 478416909 /nfs/dbraw/zinc/41/69/09/478416909.db2.gz BQJYUMGJULGITL-OAHLLOKOSA-N 1 2 344.419 2.894 20 5 EFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCC2 ZINC000594510121 478417971 /nfs/dbraw/zinc/41/79/71/478417971.db2.gz HNUOCWQLGCYNAP-CABCVRRESA-N 1 2 343.387 2.732 20 5 EFBDLO Cc1cc(NCC(C)(C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540039327 478458665 /nfs/dbraw/zinc/45/86/65/478458665.db2.gz NOWDKEABEOYZEY-UHFFFAOYSA-N 1 2 344.415 2.993 20 5 EFBDLO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000597684435 478461981 /nfs/dbraw/zinc/46/19/81/478461981.db2.gz SZWFEZOYKRKQGJ-SECBINFHSA-N 1 2 338.751 2.618 20 5 EFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000540452703 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C[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC000492255232 478895095 /nfs/dbraw/zinc/89/50/95/478895095.db2.gz BJMXZMHMGKOFJL-GFCCVEGCSA-N 1 2 335.404 2.866 20 5 EFBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCCC2)O1 ZINC000592532752 478935694 /nfs/dbraw/zinc/93/56/94/478935694.db2.gz PRAOWBZXCMKYSJ-CYBMUJFWSA-N 1 2 348.399 2.900 20 5 EFBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCCC2)O1 ZINC000592532752 478935701 /nfs/dbraw/zinc/93/57/01/478935701.db2.gz PRAOWBZXCMKYSJ-CYBMUJFWSA-N 1 2 348.399 2.900 20 5 EFBDLO COCCO[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492416059 478977422 /nfs/dbraw/zinc/97/74/22/478977422.db2.gz IPQNWKWFNZSAEM-LBPRGKRZSA-N 1 2 328.796 2.876 20 5 EFBDLO COCCO[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492416059 478977432 /nfs/dbraw/zinc/97/74/32/478977432.db2.gz IPQNWKWFNZSAEM-LBPRGKRZSA-N 1 2 328.796 2.876 20 5 EFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807579 479009877 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C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)S1 ZINC000573654814 479111147 /nfs/dbraw/zinc/11/11/47/479111147.db2.gz IAKNIDNHPKRXOL-VXGBXAGGSA-N 1 2 346.412 2.747 20 5 EFBDLO CN(Cc1[nH+]ccn1C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596060118 479113227 /nfs/dbraw/zinc/11/32/27/479113227.db2.gz CGYMGMUKRCMJDF-UHFFFAOYSA-N 1 2 325.166 2.727 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596059481 479114283 /nfs/dbraw/zinc/11/42/83/479114283.db2.gz JKCTWMVKZNYQCO-UHFFFAOYSA-N 1 2 327.344 2.856 20 5 EFBDLO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])s1 ZINC000596077922 479125361 /nfs/dbraw/zinc/12/53/61/479125361.db2.gz ZYVCGQXLGOOIOX-UHFFFAOYSA-N 1 2 334.401 2.808 20 5 EFBDLO COc1ccc[nH+]c1NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599018561 479126900 /nfs/dbraw/zinc/12/69/00/479126900.db2.gz ZBFIOORZVKGWRE-UHFFFAOYSA-N 1 2 333.344 2.670 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000593048004 479141565 /nfs/dbraw/zinc/14/15/65/479141565.db2.gz HJDCWLCSCQYBKA-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000593048004 479141568 /nfs/dbraw/zinc/14/15/68/479141568.db2.gz HJDCWLCSCQYBKA-UHFFFAOYSA-N 1 2 327.331 2.963 20 5 EFBDLO CC(C)O[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054155 479145621 /nfs/dbraw/zinc/14/56/21/479145621.db2.gz BKYGHYJHVLLNLD-KGLIPLIRSA-N 1 2 335.404 2.811 20 5 EFBDLO CC(C)O[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593054155 479145625 /nfs/dbraw/zinc/14/56/25/479145625.db2.gz BKYGHYJHVLLNLD-KGLIPLIRSA-N 1 2 335.404 2.811 20 5 EFBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000599070947 479149503 /nfs/dbraw/zinc/14/95/03/479149503.db2.gz MXIFSPRIMOZIQH-OAHLLOKOSA-N 1 2 344.350 2.696 20 5 EFBDLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593072648 479157857 /nfs/dbraw/zinc/15/78/57/479157857.db2.gz KDIORWMDMACANJ-UHFFFAOYSA-N 1 2 325.315 2.655 20 5 EFBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602992773 479185131 /nfs/dbraw/zinc/18/51/31/479185131.db2.gz FTRYLTUVQRXECH-LLVKDONJSA-N 1 2 339.367 2.754 20 5 EFBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000610808894 479194026 /nfs/dbraw/zinc/19/40/26/479194026.db2.gz VVLQBCVGYZFSFQ-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000569891842 479200568 /nfs/dbraw/zinc/20/05/68/479200568.db2.gz RMYWTQRZTZJZJV-WBVHZDCISA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000569891842 479200571 /nfs/dbraw/zinc/20/05/71/479200571.db2.gz RMYWTQRZTZJZJV-WBVHZDCISA-N 1 2 347.415 2.731 20 5 EFBDLO Cc1noc([C@@H]2OCC[C@@H]2Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000599194655 479204283 /nfs/dbraw/zinc/20/42/83/479204283.db2.gz HEIYGWFYTVVPKL-UONOGXRCSA-N 1 2 341.327 2.777 20 5 EFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596248372 479223010 /nfs/dbraw/zinc/22/30/10/479223010.db2.gz WJIOHDXDMDLQJE-ZDUSSCGKSA-N 1 2 325.796 2.549 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(O)ccc3Cl)CC2)cn1 ZINC000599259847 479223774 /nfs/dbraw/zinc/22/37/74/479223774.db2.gz PWLXSFWWYCZXRJ-UHFFFAOYSA-N 1 2 348.790 2.671 20 5 EFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000599261219 479225857 /nfs/dbraw/zinc/22/58/57/479225857.db2.gz QPHRJBNFPMPVBX-UHFFFAOYSA-N 1 2 332.791 2.965 20 5 EFBDLO Cc1c(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610971745 479247543 /nfs/dbraw/zinc/24/75/43/479247543.db2.gz XNQBQPFQKCXECW-OAHLLOKOSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000557491042 479282331 /nfs/dbraw/zinc/28/23/31/479282331.db2.gz FSFVJWLVJOGANS-XHDPSFHLSA-N 1 2 328.372 2.699 20 5 EFBDLO Cc1nnc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000596445105 479296745 /nfs/dbraw/zinc/29/67/45/479296745.db2.gz VNZHCIAXPIOPPO-UHFFFAOYSA-N 1 2 340.343 2.688 20 5 EFBDLO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611221718 479315412 /nfs/dbraw/zinc/31/54/12/479315412.db2.gz XFVZEXFQYFVABW-ZJUUUORDSA-N 1 2 343.225 2.671 20 5 EFBDLO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611221718 479315420 /nfs/dbraw/zinc/31/54/20/479315420.db2.gz XFVZEXFQYFVABW-ZJUUUORDSA-N 1 2 343.225 2.671 20 5 EFBDLO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611221716 479315526 /nfs/dbraw/zinc/31/55/26/479315526.db2.gz XFVZEXFQYFVABW-UWVGGRQHSA-N 1 2 343.225 2.671 20 5 EFBDLO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611221716 479315533 /nfs/dbraw/zinc/31/55/33/479315533.db2.gz XFVZEXFQYFVABW-UWVGGRQHSA-N 1 2 343.225 2.671 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000611252195 479323579 /nfs/dbraw/zinc/32/35/79/479323579.db2.gz HNHVIHAUHDGBHY-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000611252195 479323585 /nfs/dbraw/zinc/32/35/85/479323585.db2.gz HNHVIHAUHDGBHY-UHFFFAOYSA-N 1 2 332.356 2.950 20 5 EFBDLO COc1ccc(OCC[N@@H+]2Cc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000599536132 479324335 /nfs/dbraw/zinc/32/43/35/479324335.db2.gz GGLNCPOTUJSXIK-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO COc1ccc(OCC[N@H+]2Cc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000599536132 479324344 /nfs/dbraw/zinc/32/43/44/479324344.db2.gz GGLNCPOTUJSXIK-UHFFFAOYSA-N 1 2 330.340 2.704 20 5 EFBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)on1 ZINC000611261062 479326909 /nfs/dbraw/zinc/32/69/09/479326909.db2.gz KDVBTLRJDIUPEO-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)on1 ZINC000611261062 479326914 /nfs/dbraw/zinc/32/69/14/479326914.db2.gz KDVBTLRJDIUPEO-CYBMUJFWSA-N 1 2 345.355 3.000 20 5 EFBDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602433643 479329194 /nfs/dbraw/zinc/32/91/94/479329194.db2.gz NNHZOOILLWGPBJ-QGZVFWFLSA-N 1 2 341.415 2.602 20 5 EFBDLO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000602437995 479330872 /nfs/dbraw/zinc/33/08/72/479330872.db2.gz ABIIJSVWLWDXOE-UHFFFAOYSA-N 1 2 331.328 2.534 20 5 EFBDLO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000602437995 479330879 /nfs/dbraw/zinc/33/08/79/479330879.db2.gz ABIIJSVWLWDXOE-UHFFFAOYSA-N 1 2 331.328 2.534 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3c(cn2)OCCO3)C2CC2)c1 ZINC000602439262 479332842 /nfs/dbraw/zinc/33/28/42/479332842.db2.gz JVGRAGFTKRKAKM-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc3c(cn2)OCCO3)C2CC2)c1 ZINC000602439262 479332848 /nfs/dbraw/zinc/33/28/48/479332848.db2.gz JVGRAGFTKRKAKM-UHFFFAOYSA-N 1 2 341.367 2.926 20 5 EFBDLO Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596543690 479334682 /nfs/dbraw/zinc/33/46/82/479334682.db2.gz QEIJVZCDDOLHHY-KZULUSFZSA-N 1 2 342.399 2.815 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596619087 479360664 /nfs/dbraw/zinc/36/06/64/479360664.db2.gz QYKZBBXHFRZQEA-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596619087 479360668 /nfs/dbraw/zinc/36/06/68/479360668.db2.gz QYKZBBXHFRZQEA-UHFFFAOYSA-N 1 2 339.399 2.543 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647702 479367546 /nfs/dbraw/zinc/36/75/46/479367546.db2.gz SXNDWLFDYCDGFX-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599647702 479367551 /nfs/dbraw/zinc/36/75/51/479367551.db2.gz SXNDWLFDYCDGFX-GFCCVEGCSA-N 1 2 341.367 2.686 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000611475631 479389305 /nfs/dbraw/zinc/38/93/05/479389305.db2.gz MRXKQAAMJWYBHI-ZDUSSCGKSA-N 1 2 330.388 2.900 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599699141 479397109 /nfs/dbraw/zinc/39/71/09/479397109.db2.gz CMZOYGSMQRDCDV-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599699141 479397114 /nfs/dbraw/zinc/39/71/14/479397114.db2.gz CMZOYGSMQRDCDV-CQSZACIVSA-N 1 2 325.796 2.739 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)cn1 ZINC000603581939 479407452 /nfs/dbraw/zinc/40/74/52/479407452.db2.gz VUYHJTJMHUBRFN-UHFFFAOYSA-N 1 2 334.326 2.590 20 5 EFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH+]1 ZINC000575323527 479430317 /nfs/dbraw/zinc/43/03/17/479430317.db2.gz YETJVCBIXZWDPT-UHFFFAOYSA-N 1 2 327.344 2.773 20 5 EFBDLO C[C@H]1CN(c2ccc(Nc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000603862416 479441119 /nfs/dbraw/zinc/44/11/19/479441119.db2.gz RCVVJIOYMDFKQQ-RYUDHWBXSA-N 1 2 329.360 2.742 20 5 EFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3ccc(F)cc3)nc2c1 ZINC000611680926 479445107 /nfs/dbraw/zinc/44/51/07/479445107.db2.gz NXNZCQOMKVOVEO-CQSZACIVSA-N 1 2 331.303 2.698 20 5 EFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000589107200 479477788 /nfs/dbraw/zinc/47/77/88/479477788.db2.gz PWKTYNVBVUIMLN-SNVBAGLBSA-N 1 2 333.310 2.746 20 5 EFBDLO COc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611823681 479494492 /nfs/dbraw/zinc/49/44/92/479494492.db2.gz PJFYVBYHKHGRPT-ZDUSSCGKSA-N 1 2 345.359 2.669 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000602721555 479503809 /nfs/dbraw/zinc/50/38/09/479503809.db2.gz ULMNNBDXXJUNRB-UHFFFAOYSA-N 1 2 326.278 2.895 20 5 EFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000602721555 479503814 /nfs/dbraw/zinc/50/38/14/479503814.db2.gz ULMNNBDXXJUNRB-UHFFFAOYSA-N 1 2 326.278 2.895 20 5 EFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000602751713 479528989 /nfs/dbraw/zinc/52/89/89/479528989.db2.gz YJJYAKFSDZARLF-UHFFFAOYSA-N 1 2 327.384 2.618 20 5 EFBDLO COCC[N@H+](Cc1ccco1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495769 479532966 /nfs/dbraw/zinc/53/29/66/479532966.db2.gz LGZBRMLACOWGTH-UHFFFAOYSA-N 1 2 348.355 2.623 20 5 EFBDLO COCC[N@@H+](Cc1ccco1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495769 479532974 /nfs/dbraw/zinc/53/29/74/479532974.db2.gz LGZBRMLACOWGTH-UHFFFAOYSA-N 1 2 348.355 2.623 20 5 EFBDLO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1[C@H]1CCCO1 ZINC000589520413 479537494 /nfs/dbraw/zinc/53/74/94/479537494.db2.gz HPMGHXHLZKUVMM-RHSMWYFYSA-N 1 2 348.399 2.755 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1[C@H]1CCCO1 ZINC000589520413 479537499 /nfs/dbraw/zinc/53/74/99/479537499.db2.gz HPMGHXHLZKUVMM-RHSMWYFYSA-N 1 2 348.399 2.755 20 5 EFBDLO CC(C)(C)n1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000594005245 479543412 /nfs/dbraw/zinc/54/34/12/479543412.db2.gz FLKCYHGKTWDMMA-CQSZACIVSA-N 1 2 344.419 2.716 20 5 EFBDLO CC(C)(C)n1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000594005245 479543414 /nfs/dbraw/zinc/54/34/14/479543414.db2.gz FLKCYHGKTWDMMA-CQSZACIVSA-N 1 2 344.419 2.716 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000602775636 479545730 /nfs/dbraw/zinc/54/57/30/479545730.db2.gz KYELTRZUWTXJHX-UHFFFAOYSA-N 1 2 340.387 2.525 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000602775636 479545735 /nfs/dbraw/zinc/54/57/35/479545735.db2.gz KYELTRZUWTXJHX-UHFFFAOYSA-N 1 2 340.387 2.525 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000602778271 479546811 /nfs/dbraw/zinc/54/68/11/479546811.db2.gz AHLCXZBOVXJNOF-UHFFFAOYSA-N 1 2 349.338 2.707 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000602778271 479546820 /nfs/dbraw/zinc/54/68/20/479546820.db2.gz AHLCXZBOVXJNOF-UHFFFAOYSA-N 1 2 349.338 2.707 20 5 EFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000602790448 479555022 /nfs/dbraw/zinc/55/50/22/479555022.db2.gz FRXRCMLWHWSQJJ-OAHLLOKOSA-N 1 2 343.412 2.935 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026951 479555899 /nfs/dbraw/zinc/55/58/99/479555899.db2.gz QQDLRTQNXPTDJF-DZGCQCFKSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026951 479555903 /nfs/dbraw/zinc/55/59/03/479555903.db2.gz QQDLRTQNXPTDJF-DZGCQCFKSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026953 479556099 /nfs/dbraw/zinc/55/60/99/479556099.db2.gz QQDLRTQNXPTDJF-UKRRQHHQSA-N 1 2 347.415 2.955 20 5 EFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026953 479556104 /nfs/dbraw/zinc/55/61/04/479556104.db2.gz QQDLRTQNXPTDJF-UKRRQHHQSA-N 1 2 347.415 2.955 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027620 479556761 /nfs/dbraw/zinc/55/67/61/479556761.db2.gz XNKXQIRPFRTOOP-MRXNPFEDSA-N 1 2 347.415 2.875 20 5 EFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027620 479556770 /nfs/dbraw/zinc/55/67/70/479556770.db2.gz XNKXQIRPFRTOOP-MRXNPFEDSA-N 1 2 347.415 2.875 20 5 EFBDLO CCc1nc(C)c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000589939307 479583519 /nfs/dbraw/zinc/58/35/19/479583519.db2.gz HSZZHOPRABTDLF-UHFFFAOYSA-N 1 2 333.344 2.515 20 5 EFBDLO Nc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1[N+](=O)[O-] ZINC000590570701 479661391 /nfs/dbraw/zinc/66/13/91/479661391.db2.gz VVDCCSRCVNQVCN-UHFFFAOYSA-N 1 2 347.806 2.548 20 5 EFBDLO C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612535881 479687968 /nfs/dbraw/zinc/68/79/68/479687968.db2.gz QXQSWTAWBWBGQI-NSHDSACASA-N 1 2 345.330 2.522 20 5 EFBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 ZINC000612586721 479702152 /nfs/dbraw/zinc/70/21/52/479702152.db2.gz ITBXURBPXLFNKE-UHFFFAOYSA-N 1 2 347.371 2.648 20 5 EFBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 ZINC000612586721 479702154 /nfs/dbraw/zinc/70/21/54/479702154.db2.gz ITBXURBPXLFNKE-UHFFFAOYSA-N 1 2 347.371 2.648 20 5 EFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609793150 480205980 /nfs/dbraw/zinc/20/59/80/480205980.db2.gz RJSZZCGZULLJQH-AWEZNQCLSA-N 1 2 348.790 2.851 20 5 EFBDLO Cc1[nH+]c2ccccc2n1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000609849600 480213572 /nfs/dbraw/zinc/21/35/72/480213572.db2.gz RDBDRJGGXNBTDM-UHFFFAOYSA-N 1 2 348.366 2.730 20 5 EFBDLO Cc1cc(N2CCC[C@H](CCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610076139 480234483 /nfs/dbraw/zinc/23/44/83/480234483.db2.gz SRHJAZWPBGJMKE-CQSZACIVSA-N 1 2 342.399 2.959 20 5 EFBDLO Cc1cc(N2CCC[C@@H](CCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610076138 480234572 /nfs/dbraw/zinc/23/45/72/480234572.db2.gz SRHJAZWPBGJMKE-AWEZNQCLSA-N 1 2 342.399 2.959 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079260 480235301 /nfs/dbraw/zinc/23/53/01/480235301.db2.gz NITHOKIFQKYDSI-CYBMUJFWSA-N 1 2 334.294 2.627 20 5 EFBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079260 480235308 /nfs/dbraw/zinc/23/53/08/480235308.db2.gz NITHOKIFQKYDSI-CYBMUJFWSA-N 1 2 334.294 2.627 20 5 EFBDLO Cc1cccn2cc(CCNC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000610434638 480304463 /nfs/dbraw/zinc/30/44/63/480304463.db2.gz DAKGHBDIFURXIN-UHFFFAOYSA-N 1 2 342.330 2.663 20 5 EFBDLO CCc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000610436488 480305938 /nfs/dbraw/zinc/30/59/38/480305938.db2.gz LYGMKLKGDYSLAW-UHFFFAOYSA-N 1 2 339.395 2.903 20 5 EFBDLO CCCC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610581045 480342336 /nfs/dbraw/zinc/34/23/36/480342336.db2.gz CEBVPEFBMWDVQZ-UHFFFAOYSA-N 1 2 346.387 2.617 20 5 EFBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183377338 533946543 /nfs/dbraw/zinc/94/65/43/533946543.db2.gz DDPWKTUBFWIQAB-SNVBAGLBSA-N 1 2 342.359 2.538 20 5 EFBDLO CC(C)(C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000118643163 518538116 /nfs/dbraw/zinc/53/81/16/518538116.db2.gz WZRFTOWKBDWUIL-UHFFFAOYSA-N 1 2 340.343 2.555 20 5 EFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000171702037 534456151 /nfs/dbraw/zinc/45/61/51/534456151.db2.gz ULRAFNKRASAUFE-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000171702037 534456157 /nfs/dbraw/zinc/45/61/57/534456157.db2.gz ULRAFNKRASAUFE-SECBINFHSA-N 1 2 329.809 2.624 20 5 EFBDLO CC[N@H+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000089540945 520276187 /nfs/dbraw/zinc/27/61/87/520276187.db2.gz SRFHYYFIRKZOSQ-INIZCTEOSA-N 1 2 329.356 2.932 20 5 EFBDLO CC[N@@H+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000089540945 520276191 /nfs/dbraw/zinc/27/61/91/520276191.db2.gz SRFHYYFIRKZOSQ-INIZCTEOSA-N 1 2 329.356 2.932 20 5 EFBDLO NC(=O)c1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000152868884 534481988 /nfs/dbraw/zinc/48/19/88/534481988.db2.gz ZAUHGLDQWHKNJN-UHFFFAOYSA-N 1 2 347.415 2.619 20 5 EFBDLO NC(=O)c1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000152868884 534481992 /nfs/dbraw/zinc/48/19/92/534481992.db2.gz ZAUHGLDQWHKNJN-UHFFFAOYSA-N 1 2 347.415 2.619 20 5 EFBDLO CCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000120343043 520895566 /nfs/dbraw/zinc/89/55/66/520895566.db2.gz XLOYEYOKCSATLQ-UHFFFAOYSA-N 1 2 344.371 2.667 20 5 EFBDLO CCc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665322 522318193 /nfs/dbraw/zinc/31/81/93/522318193.db2.gz LJUDEDHEKCYSHZ-LLVKDONJSA-N 1 2 333.417 2.695 20 5 EFBDLO CCc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665322 522318199 /nfs/dbraw/zinc/31/81/99/522318199.db2.gz LJUDEDHEKCYSHZ-LLVKDONJSA-N 1 2 333.417 2.695 20 5 EFBDLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117606096 522375671 /nfs/dbraw/zinc/37/56/71/522375671.db2.gz CBJUNUNCQUEPHZ-UHFFFAOYSA-N 1 2 334.763 2.890 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000135945490 523186190 /nfs/dbraw/zinc/18/61/90/523186190.db2.gz OGZAKOOHUCAUFS-NSHDSACASA-N 1 2 348.790 2.666 20 5 EFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177758632 523390669 /nfs/dbraw/zinc/39/06/69/523390669.db2.gz LZFLNDOEGXZIBF-UHFFFAOYSA-N 1 2 339.355 2.584 20 5 EFBDLO Cc1cccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000120817811 524184023 /nfs/dbraw/zinc/18/40/23/524184023.db2.gz HZGCEPJOTFRRDU-AWEZNQCLSA-N 1 2 327.340 2.592 20 5 EFBDLO Cc1cc(C)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)[nH+]1 ZINC000182509215 524303610 /nfs/dbraw/zinc/30/36/10/524303610.db2.gz JGKUJHMNXGPXOT-UHFFFAOYSA-N 1 2 329.312 2.896 20 5 EFBDLO Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000192935945 524457262 /nfs/dbraw/zinc/45/72/62/524457262.db2.gz VXMDKDUAJMINGJ-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000192935945 524457269 /nfs/dbraw/zinc/45/72/69/524457269.db2.gz VXMDKDUAJMINGJ-UHFFFAOYSA-N 1 2 326.400 2.616 20 5 EFBDLO Cc1cc(N)nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH+]1 ZINC000107841848 525044694 /nfs/dbraw/zinc/04/46/94/525044694.db2.gz KHFOFIJERZMRAL-UHFFFAOYSA-N 1 2 344.356 2.618 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135610329 525458863 /nfs/dbraw/zinc/45/88/63/525458863.db2.gz XCBIATGPPIXZPP-OAHLLOKOSA-N 1 2 330.388 2.846 20 5 EFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135610329 525458872 /nfs/dbraw/zinc/45/88/72/525458872.db2.gz XCBIATGPPIXZPP-OAHLLOKOSA-N 1 2 330.388 2.846 20 5 EFBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2cscn2)cccc1[N+](=O)[O-] ZINC000063591373 525833656 /nfs/dbraw/zinc/83/36/56/525833656.db2.gz OKRAIKRQNYLAEH-UHFFFAOYSA-N 1 2 334.401 2.820 20 5 EFBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2cscn2)cccc1[N+](=O)[O-] ZINC000063591373 525833666 /nfs/dbraw/zinc/83/36/66/525833666.db2.gz OKRAIKRQNYLAEH-UHFFFAOYSA-N 1 2 334.401 2.820 20 5 EFBDLO Cc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178682599 525940968 /nfs/dbraw/zinc/94/09/68/525940968.db2.gz WRLZSLAOFNDWHT-ZBEGNZNMSA-N 1 2 331.347 2.920 20 5 EFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154010877 526489248 /nfs/dbraw/zinc/48/92/48/526489248.db2.gz WCBDOFKDHXEUAH-CQSZACIVSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119845577 526489731 /nfs/dbraw/zinc/48/97/31/526489731.db2.gz BKWJMOGXAUDBDE-CYBMUJFWSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121431997 526491389 /nfs/dbraw/zinc/49/13/89/526491389.db2.gz FKGZNUVBPANTPO-INIZCTEOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121431997 526491393 /nfs/dbraw/zinc/49/13/93/526491393.db2.gz FKGZNUVBPANTPO-INIZCTEOSA-N 1 2 345.355 2.590 20 5 EFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154010991 526554180 /nfs/dbraw/zinc/55/41/80/526554180.db2.gz WCBDOFKDHXEUAH-AWEZNQCLSA-N 1 2 340.383 2.545 20 5 EFBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587923 526747842 /nfs/dbraw/zinc/74/78/42/526747842.db2.gz UZALCONDSUWYOI-UHFFFAOYSA-N 1 2 334.335 2.983 20 5 EFBDLO O=C(NCc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014789610 526752439 /nfs/dbraw/zinc/75/24/39/526752439.db2.gz WGJCYYAXXQAJOF-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000246161785 526799066 /nfs/dbraw/zinc/79/90/66/526799066.db2.gz QNBWCWLFKXSIPV-HUUCEWRRSA-N 1 2 335.429 2.893 20 5 EFBDLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000246161785 526799071 /nfs/dbraw/zinc/79/90/71/526799071.db2.gz QNBWCWLFKXSIPV-HUUCEWRRSA-N 1 2 335.429 2.893 20 5 EFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178069819 527037970 /nfs/dbraw/zinc/03/79/70/527037970.db2.gz YFKUCUNVVHUEIU-UHFFFAOYSA-N 1 2 342.380 2.651 20 5 EFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180676571 527423430 /nfs/dbraw/zinc/42/34/30/527423430.db2.gz IPEMXQDBAFCQJQ-UHFFFAOYSA-N 1 2 337.339 2.830 20 5 EFBDLO O=C(Nc1cc[nH+]cc1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153460335 527457892 /nfs/dbraw/zinc/45/78/92/527457892.db2.gz ZYYBLACNCPHVDB-UHFFFAOYSA-N 1 2 327.218 2.967 20 5 EFBDLO CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189715210 528077679 /nfs/dbraw/zinc/07/76/79/528077679.db2.gz ILPHZNWFNYIASJ-KGLIPLIRSA-N 1 2 349.431 2.557 20 5 EFBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178010450 528967822 /nfs/dbraw/zinc/96/78/22/528967822.db2.gz ZNJAFYVXTWSOKF-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178010450 528967825 /nfs/dbraw/zinc/96/78/25/528967825.db2.gz ZNJAFYVXTWSOKF-UHFFFAOYSA-N 1 2 341.795 2.912 20 5 EFBDLO CC(C)N(Cc1c[nH+]c(N(C)C)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000425323248 535118529 /nfs/dbraw/zinc/11/85/29/535118529.db2.gz ITCYCNFNGHGLIS-UHFFFAOYSA-N 1 2 331.420 2.805 20 5 EFBDLO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000195507515 535147170 /nfs/dbraw/zinc/14/71/70/535147170.db2.gz PQOVVFFYEBKXNG-LBPRGKRZSA-N 1 2 328.438 2.600 20 5 EFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000349857265 535214303 /nfs/dbraw/zinc/21/43/03/535214303.db2.gz XSFUENXZVMPSML-CYBMUJFWSA-N 1 2 336.323 2.566 20 5 EFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000349857265 535214308 /nfs/dbraw/zinc/21/43/08/535214308.db2.gz XSFUENXZVMPSML-CYBMUJFWSA-N 1 2 336.323 2.566 20 5 EFBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000433836330 535324622 /nfs/dbraw/zinc/32/46/22/535324622.db2.gz NWJFFGMHBAMEMS-UHFFFAOYSA-N 1 2 340.343 2.879 20 5 EFBDLO CCn1ncnc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355611948 535903911 /nfs/dbraw/zinc/90/39/11/535903911.db2.gz TURXKIUFJDHCNJ-UHFFFAOYSA-N 1 2 327.344 2.756 20 5 EFBDLO COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000264100780 536738670 /nfs/dbraw/zinc/73/86/70/536738670.db2.gz BVZHSAIOTJANBQ-UHFFFAOYSA-N 1 2 344.371 2.621 20 5 EFBDLO O=C(NC12CCC(CC1)C2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371717690 546146280 /nfs/dbraw/zinc/14/62/80/546146280.db2.gz UBEZMSBZXOXWOP-UHFFFAOYSA-N 1 2 326.356 2.843 20 5 EFBDLO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000754728074 575478815 /nfs/dbraw/zinc/47/88/15/575478815.db2.gz CONQPHYHBVQNRM-CABCVRRESA-N 1 2 338.404 2.584 20 5 EFBDLO CCC1(CC)CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270471 575568120 /nfs/dbraw/zinc/56/81/20/575568120.db2.gz FUYRKULTJJAMLA-UHFFFAOYSA-N 1 2 346.387 2.881 20 5 EFBDLO CCC1(CC)CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270471 575568122 /nfs/dbraw/zinc/56/81/22/575568122.db2.gz FUYRKULTJJAMLA-UHFFFAOYSA-N 1 2 346.387 2.881 20 5 EFBDLO CCc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000755894666 575650939 /nfs/dbraw/zinc/65/09/39/575650939.db2.gz KRRWJSHGDUDQOX-UHFFFAOYSA-N 1 2 329.356 2.975 20 5 EFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000758474478 575870560 /nfs/dbraw/zinc/87/05/60/575870560.db2.gz RJYWJCLZUGSDLI-ZDUSSCGKSA-N 1 2 332.335 2.716 20 5 EFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3ccncc3)no2)ccc1-n1cc[nH+]c1 ZINC000761554619 576178713 /nfs/dbraw/zinc/17/87/13/576178713.db2.gz WWAQHDVOYOULNG-UHFFFAOYSA-N 1 2 348.322 2.816 20 5 EFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000763418316 576376561 /nfs/dbraw/zinc/37/65/61/576376561.db2.gz DLLRSGINURERDC-LLVKDONJSA-N 1 2 341.367 2.670 20 5 EFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(O)cc1 ZINC000764493688 576465190 /nfs/dbraw/zinc/46/51/90/576465190.db2.gz QZBZZBVSNQRBSB-UHFFFAOYSA-N 1 2 341.367 2.904 20 5 EFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(O)cc1 ZINC000764493688 576465193 /nfs/dbraw/zinc/46/51/93/576465193.db2.gz QZBZZBVSNQRBSB-UHFFFAOYSA-N 1 2 341.367 2.904 20 5 EFBDLO Cc1nn(C[N@H+]2CCOC[C@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764987389 576533053 /nfs/dbraw/zinc/53/30/53/576533053.db2.gz KBGFRXCVJOLTND-OAHLLOKOSA-N 1 2 332.404 2.957 20 5 EFBDLO Cc1nn(C[N@@H+]2CCOC[C@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764987389 576533054 /nfs/dbraw/zinc/53/30/54/576533054.db2.gz KBGFRXCVJOLTND-OAHLLOKOSA-N 1 2 332.404 2.957 20 5 EFBDLO C[N@H+](CCOC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767771772 577233179 /nfs/dbraw/zinc/23/31/79/577233179.db2.gz LLJPNBGLDRJHKP-UHFFFAOYSA-N 1 2 333.392 2.558 20 5 EFBDLO C[N@@H+](CCOC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767771772 577233180 /nfs/dbraw/zinc/23/31/80/577233180.db2.gz LLJPNBGLDRJHKP-UHFFFAOYSA-N 1 2 333.392 2.558 20 5 EFBDLO C[C@@]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000768541075 577282216 /nfs/dbraw/zinc/28/22/16/577282216.db2.gz DPRVBUSZVWQKBC-INIZCTEOSA-N 1 2 333.775 2.739 20 5 EFBDLO CC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769446887 577362894 /nfs/dbraw/zinc/36/28/94/577362894.db2.gz OSPDRCBHWZMXLU-UHFFFAOYSA-N 1 2 329.194 2.704 20 5 EFBDLO C[C@@H]1COCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769456975 577363375 /nfs/dbraw/zinc/36/33/75/577363375.db2.gz OUHUYROXFUOHSO-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO C[C@@H]1COCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769456975 577363377 /nfs/dbraw/zinc/36/33/77/577363377.db2.gz OUHUYROXFUOHSO-JTQLQIEISA-N 1 2 329.194 2.826 20 5 EFBDLO COc1cccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000769600888 577374435 /nfs/dbraw/zinc/37/44/35/577374435.db2.gz HHFKEDKLBHLQNZ-UHFFFAOYSA-N 1 2 346.339 2.981 20 5 EFBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC12CCC2 ZINC000770670998 581123995 /nfs/dbraw/zinc/12/39/95/581123995.db2.gz VDOPRXRTPCFELF-GFCCVEGCSA-N 1 2 343.383 2.660 20 5 EFBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC12CCC2 ZINC000770670998 581123997 /nfs/dbraw/zinc/12/39/97/581123997.db2.gz VDOPRXRTPCFELF-GFCCVEGCSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cccc2[nH+]ccn21 ZINC000770922039 581151115 /nfs/dbraw/zinc/15/11/15/581151115.db2.gz IXRXENOGLQMTBN-UHFFFAOYSA-N 1 2 340.339 2.788 20 5 EFBDLO COc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770921274 581151133 /nfs/dbraw/zinc/15/11/33/581151133.db2.gz ORMQFOIWWAZRBW-UHFFFAOYSA-N 1 2 327.296 2.608 20 5 EFBDLO C[C@@H]1CSCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638491 581496031 /nfs/dbraw/zinc/49/60/31/581496031.db2.gz RQHXQUCLXHCMJB-SECBINFHSA-N 1 2 326.809 2.993 20 5 EFBDLO C[C@@H]1CSCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638491 581496032 /nfs/dbraw/zinc/49/60/32/581496032.db2.gz RQHXQUCLXHCMJB-SECBINFHSA-N 1 2 326.809 2.993 20 5 EFBDLO C[C@H](C[C@H]1CCOC1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774733596 581499341 /nfs/dbraw/zinc/49/93/41/581499341.db2.gz FNWKOWJNKFJXTH-CHWSQXEVSA-N 1 2 345.355 2.752 20 5 EFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1F ZINC000851035379 1250766571 /nfs/dbraw/zinc/76/65/71/1250766571.db2.gz KRAOCVWIEOPFDE-AWEZNQCLSA-N 1 2 345.330 2.560 20 5 EFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1F ZINC000851035379 1250766587 /nfs/dbraw/zinc/76/65/87/1250766587.db2.gz KRAOCVWIEOPFDE-AWEZNQCLSA-N 1 2 345.330 2.560 20 5 EFBDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791563592 1278180120 /nfs/dbraw/zinc/18/01/20/1278180120.db2.gz NJHLNGHBIWLJNQ-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791563592 1278180123 /nfs/dbraw/zinc/18/01/23/1278180123.db2.gz NJHLNGHBIWLJNQ-HNNXBMFYSA-N 1 2 341.795 2.688 20 5 EFBDLO Cc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000824799940 1278290392 /nfs/dbraw/zinc/29/03/92/1278290392.db2.gz RXXZNCBBJDLHKG-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834935 1267125414 /nfs/dbraw/zinc/12/54/14/1267125414.db2.gz DBEZYOIPPCUPAB-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834935 1267125419 /nfs/dbraw/zinc/12/54/19/1267125419.db2.gz DBEZYOIPPCUPAB-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO CN(C(=O)C(C)(C)F)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005029908 1268428781 /nfs/dbraw/zinc/42/87/81/1268428781.db2.gz ARKPAXFLFGTHLF-UHFFFAOYSA-N 1 2 343.424 2.827 20 5 EFBDLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858319 1269136426 /nfs/dbraw/zinc/13/64/26/1269136426.db2.gz FELASAFBOHIUGQ-OLZOCXBDSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858319 1269136432 /nfs/dbraw/zinc/13/64/32/1269136432.db2.gz FELASAFBOHIUGQ-OLZOCXBDSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858317 1269136687 /nfs/dbraw/zinc/13/66/87/1269136687.db2.gz FELASAFBOHIUGQ-CHWSQXEVSA-N 1 2 328.372 2.506 20 5 EFBDLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000740858317 1269136693 /nfs/dbraw/zinc/13/66/93/1269136693.db2.gz FELASAFBOHIUGQ-CHWSQXEVSA-N 1 2 328.372 2.506 20 5 EFBDLO Cc1cc(Cl)c(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000825517042 1278580664 /nfs/dbraw/zinc/58/06/64/1278580664.db2.gz KSLINSSAFAJBMJ-UHFFFAOYSA-N 1 2 336.779 2.963 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cn1 ZINC001212580523 1272176129 /nfs/dbraw/zinc/17/61/29/1272176129.db2.gz NDNCLWJWHKBNSM-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO CC(C)[N@H+](CC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747076693 1278793497 /nfs/dbraw/zinc/79/34/97/1278793497.db2.gz XBJWMHMANOKSMS-UHFFFAOYSA-N 1 2 342.399 2.896 20 5 EFBDLO CC(C)[N@@H+](CC1CC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747076693 1278793507 /nfs/dbraw/zinc/79/35/07/1278793507.db2.gz XBJWMHMANOKSMS-UHFFFAOYSA-N 1 2 342.399 2.896 20 5 EFBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001109489802 1274341370 /nfs/dbraw/zinc/34/13/70/1274341370.db2.gz QIAHFUVXKXGVKK-UHFFFAOYSA-N 1 2 345.403 2.556 20 5 EFBDLO O=C(OCC[C@@H]1CCCC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676448 1275142602 /nfs/dbraw/zinc/14/26/02/1275142602.db2.gz VENWUCPOSAONRC-LBPRGKRZSA-N 1 2 343.339 2.697 20 5 EFBDLO O=C(OCc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675635 1275142916 /nfs/dbraw/zinc/14/29/16/1275142916.db2.gz JWBDFNHIDZZLIO-UHFFFAOYSA-N 1 2 342.286 2.672 20 5 EFBDLO Cc1ccnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000785676442 1275143051 /nfs/dbraw/zinc/14/30/51/1275143051.db2.gz VCUZURANYJAAJA-UHFFFAOYSA-N 1 2 338.323 2.841 20 5 EFBDLO C[N@H+](CCn1cccn1)Cc1cccc([N+](=O)[O-])c1Br ZINC000707150412 1275392092 /nfs/dbraw/zinc/39/20/92/1275392092.db2.gz GGNCSDHAYWNZKD-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO C[N@@H+](CCn1cccn1)Cc1cccc([N+](=O)[O-])c1Br ZINC000707150412 1275392105 /nfs/dbraw/zinc/39/21/05/1275392105.db2.gz GGNCSDHAYWNZKD-UHFFFAOYSA-N 1 2 339.193 2.686 20 5 EFBDLO Nc1cc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000787591433 1275806505 /nfs/dbraw/zinc/80/65/05/1275806505.db2.gz KYIXRYXACZGRGV-UHFFFAOYSA-N 1 2 342.355 2.529 20 5 EFBDLO COc1ccc(C[C@@H](C)[NH2+]Cc2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001170300292 1278982311 /nfs/dbraw/zinc/98/23/11/1278982311.db2.gz YZNQNEAEIOKXTR-LLVKDONJSA-N 1 2 334.376 2.831 20 5 EFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nn(CC)nc2C)cc1[N+](=O)[O-] ZINC000818344418 1276513328 /nfs/dbraw/zinc/51/33/28/1276513328.db2.gz NFGUOPHFTDYDFG-NSHDSACASA-N 1 2 333.392 2.764 20 5 EFBDLO Cn1cc[nH+]c1CCCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000789790797 1277003757 /nfs/dbraw/zinc/00/37/57/1277003757.db2.gz BRDIUPCDARRTPZ-UHFFFAOYSA-N 1 2 342.355 2.528 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715276 1279194468 /nfs/dbraw/zinc/19/44/68/1279194468.db2.gz BKZHUFJVAFPHFI-OAHLLOKOSA-N 1 2 345.403 2.700 20 5 EFBDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000844715276 1279194473 /nfs/dbraw/zinc/19/44/73/1279194473.db2.gz BKZHUFJVAFPHFI-OAHLLOKOSA-N 1 2 345.403 2.700 20 5 EFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1c[nH+]cn1C ZINC000793239910 1279469046 /nfs/dbraw/zinc/46/90/46/1279469046.db2.gz WKQNEDGFHRYRNZ-AWEZNQCLSA-N 1 2 331.372 2.683 20 5 EFBDLO C[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)n1cc[nH+]c1 ZINC000845283740 1279533423 /nfs/dbraw/zinc/53/34/23/1279533423.db2.gz ZFRLPTQZACZKNK-JTQLQIEISA-N 1 2 330.300 2.627 20 5 EFBDLO Cn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747249390 1280608112 /nfs/dbraw/zinc/60/81/12/1280608112.db2.gz NTHDRFQKUVKDKX-UHFFFAOYSA-N 1 2 329.234 2.704 20 5 EFBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197127 1281582798 /nfs/dbraw/zinc/58/27/98/1281582798.db2.gz CDXFJJUSHZOGQM-CABCVRRESA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000808197127 1281582805 /nfs/dbraw/zinc/58/28/05/1281582805.db2.gz CDXFJJUSHZOGQM-CABCVRRESA-N 1 2 330.388 2.927 20 5 EFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000809753018 1282456668 /nfs/dbraw/zinc/45/66/68/1282456668.db2.gz YXDOWEGYWVMGHM-ZDUSSCGKSA-N 1 2 329.194 2.560 20 5 EFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000809753018 1282456675 /nfs/dbraw/zinc/45/66/75/1282456675.db2.gz YXDOWEGYWVMGHM-ZDUSSCGKSA-N 1 2 329.194 2.560 20 5 EFBDLO CC1(F)CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000872691421 1287741712 /nfs/dbraw/zinc/74/17/12/1287741712.db2.gz KHTOOBSSSWJCBK-UHFFFAOYSA-N 1 2 336.367 2.618 20 5 EFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](n4cccn4)C3)c2c(Cl)c1 ZINC000812296626 1285059895 /nfs/dbraw/zinc/05/98/95/1285059895.db2.gz OUURPPYGHNCQIV-GFCCVEGCSA-N 1 2 346.778 2.699 20 5 EFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](n4cccn4)C3)c2c(Cl)c1 ZINC000812296626 1285059904 /nfs/dbraw/zinc/05/99/04/1285059904.db2.gz OUURPPYGHNCQIV-GFCCVEGCSA-N 1 2 346.778 2.699 20 5 EFBDLO CCc1ocnc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171979 1285703360 /nfs/dbraw/zinc/70/33/60/1285703360.db2.gz YRAMFYSMNIGYQV-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO CCc1ocnc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171979 1285703365 /nfs/dbraw/zinc/70/33/65/1285703365.db2.gz YRAMFYSMNIGYQV-AWEZNQCLSA-N 1 2 345.355 2.577 20 5 EFBDLO Cc1ccoc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172567 1285703541 /nfs/dbraw/zinc/70/35/41/1285703541.db2.gz OBLSACKODFJVKE-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO Cc1ccoc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172567 1285703544 /nfs/dbraw/zinc/70/35/44/1285703544.db2.gz OBLSACKODFJVKE-HNNXBMFYSA-N 1 2 330.340 2.928 20 5 EFBDLO CCc1nnc2n1CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920617 1286328424 /nfs/dbraw/zinc/32/84/24/1286328424.db2.gz LJKRZYLLZTVOEC-OAHLLOKOSA-N 1 2 341.415 2.512 20 5 EFBDLO CCc1nnc2n1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920617 1286328431 /nfs/dbraw/zinc/32/84/31/1286328431.db2.gz LJKRZYLLZTVOEC-OAHLLOKOSA-N 1 2 341.415 2.512 20 5 EFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)nc1 ZINC001212696309 1286370627 /nfs/dbraw/zinc/37/06/27/1286370627.db2.gz HRWCXGCBGFIPDZ-UHFFFAOYSA-N 1 2 334.295 2.893 20 5 EFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001173226572 1286481030 /nfs/dbraw/zinc/48/10/30/1286481030.db2.gz MPLPBASLIWSZHN-LBPRGKRZSA-N 1 2 335.404 2.735 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001173233562 1286483973 /nfs/dbraw/zinc/48/39/73/1286483973.db2.gz XJEBDTYQHTUFCT-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001173233562 1286483977 /nfs/dbraw/zinc/48/39/77/1286483977.db2.gz XJEBDTYQHTUFCT-KDOFPFPSSA-N 1 2 327.384 2.994 20 5 EFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816845560 1288301359 /nfs/dbraw/zinc/30/13/59/1288301359.db2.gz UXWWUENWHGSCNP-LLVKDONJSA-N 1 2 348.790 2.666 20 5 EFBDLO CCCn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824497864 1289691089 /nfs/dbraw/zinc/69/10/89/1289691089.db2.gz RNXPJTHASPQFFN-UHFFFAOYSA-N 1 2 329.404 2.524 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000874256133 1290237085 /nfs/dbraw/zinc/23/70/85/1290237085.db2.gz CLCCGUROXHGQFV-UHFFFAOYSA-N 1 2 328.372 2.885 20 5 EFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000247335768 1290325038 /nfs/dbraw/zinc/32/50/38/1290325038.db2.gz QQTWWRQHPWSNDP-UHFFFAOYSA-N 1 2 340.314 2.850 20 5 EFBDLO Cc1c(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773820 1291367501 /nfs/dbraw/zinc/36/75/01/1291367501.db2.gz YZNYZMXJWZAVOC-CQSZACIVSA-N 1 2 345.321 2.546 20 5 EFBDLO Cc1c(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773820 1291367512 /nfs/dbraw/zinc/36/75/12/1291367512.db2.gz YZNYZMXJWZAVOC-CQSZACIVSA-N 1 2 345.321 2.546 20 5 EFBDLO O=[N+]([O-])c1c(F)nccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000882686816 1293286987 /nfs/dbraw/zinc/28/69/87/1293286987.db2.gz UMEFOWDTDMTEHU-UHFFFAOYSA-N 1 2 349.391 2.689 20 5 EFBDLO C[C@@H](Oc1ccnc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233857687 1313006184 /nfs/dbraw/zinc/00/61/84/1313006184.db2.gz OVLRWSSSDNGQCO-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@@H](Oc1ccnc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233857687 1313006188 /nfs/dbraw/zinc/00/61/88/1313006188.db2.gz OVLRWSSSDNGQCO-PBHICJAKSA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ccnc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233857689 1313006391 /nfs/dbraw/zinc/00/63/91/1313006391.db2.gz OVLRWSSSDNGQCO-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO C[C@H](Oc1ccnc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233857689 1313006394 /nfs/dbraw/zinc/00/63/94/1313006394.db2.gz OVLRWSSSDNGQCO-WMLDXEAASA-N 1 2 343.383 2.658 20 5 EFBDLO CC(C)[NH+]1CC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233902162 1313014328 /nfs/dbraw/zinc/01/43/28/1313014328.db2.gz PWTTZJFTCQOMIG-UHFFFAOYSA-N 1 2 332.316 2.523 20 5 EFBDLO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001233903532 1313015206 /nfs/dbraw/zinc/01/52/06/1313015206.db2.gz VAZONRYCGGLZGT-LBPRGKRZSA-N 1 2 345.168 2.969 20 5 EFBDLO O=[N+]([O-])c1ncccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000885929293 1294566080 /nfs/dbraw/zinc/56/60/80/1294566080.db2.gz NLLKAKSYSXWUJD-UHFFFAOYSA-N 1 2 346.818 2.961 20 5 EFBDLO CC[NH+]1CC(Oc2c3nccc4c5ccccc5n(c43)c(=O)c2OC)C1 ZINC001234719077 1313186047 /nfs/dbraw/zinc/18/60/47/1313186047.db2.gz YEVWSMHFGZARIQ-UHFFFAOYSA-N 1 2 349.390 2.530 20 5 EFBDLO C[NH+]1CCC(Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)CC1 ZINC001234746212 1313188309 /nfs/dbraw/zinc/18/83/09/1313188309.db2.gz CEIOIJRMHNYFAY-UHFFFAOYSA-N 1 2 341.363 2.830 20 5 EFBDLO CC(C)(C)[NH+]1CC(Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878826 1313202518 /nfs/dbraw/zinc/20/25/18/1313202518.db2.gz YJCJMBKYSHYHNF-UHFFFAOYSA-N 1 2 345.193 2.924 20 5 EFBDLO [NH3+][C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccc(Cl)c1 ZINC001205812281 1313360854 /nfs/dbraw/zinc/36/08/54/1313360854.db2.gz PJRFLXRAYPDNRO-LLVKDONJSA-N 1 2 349.709 2.880 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851767992 1299383112 /nfs/dbraw/zinc/38/31/12/1299383112.db2.gz IWCFVFRLPONBHA-HNNXBMFYSA-N 1 2 335.379 2.711 20 5 EFBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851767992 1299383122 /nfs/dbraw/zinc/38/31/22/1299383122.db2.gz IWCFVFRLPONBHA-HNNXBMFYSA-N 1 2 335.379 2.711 20 5 EFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-] ZINC000851897256 1299455772 /nfs/dbraw/zinc/45/57/72/1299455772.db2.gz JUPWRBXVZWKPNP-NSHDSACASA-N 1 2 344.371 2.869 20 5 EFBDLO O=C1OCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000852723600 1299834936 /nfs/dbraw/zinc/83/49/36/1299834936.db2.gz XANJWLBJDVWJAH-UHFFFAOYSA-N 1 2 339.779 2.665 20 5 EFBDLO C[C@@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)CO1 ZINC000853799880 1300283610 /nfs/dbraw/zinc/28/36/10/1300283610.db2.gz OVLCWLFNYYYQFA-GHMZBOCLSA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)CO1 ZINC000853799880 1300283622 /nfs/dbraw/zinc/28/36/22/1300283622.db2.gz OVLCWLFNYYYQFA-GHMZBOCLSA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)CO1 ZINC000853799882 1300283988 /nfs/dbraw/zinc/28/39/88/1300283988.db2.gz OVLCWLFNYYYQFA-QWRGUYRKSA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)CO1 ZINC000853799882 1300283999 /nfs/dbraw/zinc/28/39/99/1300283999.db2.gz OVLCWLFNYYYQFA-QWRGUYRKSA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853799881 1300284160 /nfs/dbraw/zinc/28/41/60/1300284160.db2.gz OVLCWLFNYYYQFA-MNOVXSKESA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853799881 1300284163 /nfs/dbraw/zinc/28/41/63/1300284163.db2.gz OVLCWLFNYYYQFA-MNOVXSKESA-N 1 2 336.417 2.726 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776855401 1301200006 /nfs/dbraw/zinc/20/00/06/1301200006.db2.gz IWQGSZHASGDGPS-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776855401 1301200011 /nfs/dbraw/zinc/20/00/11/1301200011.db2.gz IWQGSZHASGDGPS-JTQLQIEISA-N 1 2 327.812 2.983 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860177149 1301731343 /nfs/dbraw/zinc/73/13/43/1301731343.db2.gz XJSOXSRFERVZDC-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860177149 1301731347 /nfs/dbraw/zinc/73/13/47/1301731347.db2.gz XJSOXSRFERVZDC-AWEZNQCLSA-N 1 2 325.796 2.739 20 5 EFBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000118967295 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349.387 2.596 20 5 EFBDLO C[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684123 1302924916 /nfs/dbraw/zinc/92/49/16/1302924916.db2.gz IMXBDNZQJMMGFV-CQSZACIVSA-N 1 2 346.387 2.880 20 5 EFBDLO C[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684123 1302924924 /nfs/dbraw/zinc/92/49/24/1302924924.db2.gz IMXBDNZQJMMGFV-CQSZACIVSA-N 1 2 346.387 2.880 20 5 EFBDLO C[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@H]1CCC(C)(C)C1 ZINC000794684119 1302925041 /nfs/dbraw/zinc/92/50/41/1302925041.db2.gz IMXBDNZQJMMGFV-AWEZNQCLSA-N 1 2 346.387 2.880 20 5 EFBDLO C[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@H]1CCC(C)(C)C1 ZINC000794684119 1302925047 /nfs/dbraw/zinc/92/50/47/1302925047.db2.gz IMXBDNZQJMMGFV-AWEZNQCLSA-N 1 2 346.387 2.880 20 5 EFBDLO C[N@H+](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684095 1302925292 /nfs/dbraw/zinc/92/52/92/1302925292.db2.gz SJVMSSHLBKKUEP-GFCCVEGCSA-N 1 2 346.387 2.880 20 5 EFBDLO 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COc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001248461030 1314937282 /nfs/dbraw/zinc/93/72/82/1314937282.db2.gz KMGRSRLFINOFBG-UHFFFAOYSA-N 1 2 344.371 2.703 20 5 EFBDLO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccc(Cl)cc1 ZINC001248998313 1315010098 /nfs/dbraw/zinc/01/00/98/1315010098.db2.gz KZFQQLPDLCXFIO-NSHDSACASA-N 1 2 349.709 2.880 20 5 EFBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001249548172 1315093966 /nfs/dbraw/zinc/09/39/66/1315093966.db2.gz JUABCSWDJANKLQ-UHFFFAOYSA-N 1 2 328.372 2.874 20 5 EFBDLO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(Br)c1 ZINC001218006102 1315131544 /nfs/dbraw/zinc/13/15/44/1315131544.db2.gz JJBOFYDEHCZKSU-SNVBAGLBSA-N 1 2 337.120 2.733 20 5 EFBDLO COC(=O)[C@@H]1C[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218172586 1315158459 /nfs/dbraw/zinc/15/84/59/1315158459.db2.gz LQHMIVQBTQIOGQ-PXAZEXFGSA-N 1 2 337.375 2.981 20 5 EFBDLO CCCSc1nc(O[C@H]2CC[C@H]([NH2+]C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218188934 1315160859 /nfs/dbraw/zinc/16/08/59/1315160859.db2.gz MCJRIZMEVUOFMX-MGCOHNPYSA-N 1 2 342.421 2.502 20 5 EFBDLO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC2(F)F)c2ccccc21 ZINC001218236107 1315168311 /nfs/dbraw/zinc/16/83/11/1315168311.db2.gz PGLTYRQHVPJTIT-LBPRGKRZSA-N 1 2 339.254 2.642 20 5 EFBDLO O=c1oc2cc(O[C@@H]3C[NH2+]CC3(F)F)ccc2c2ccc(O)cc12 ZINC001218237217 1315169011 /nfs/dbraw/zinc/16/90/11/1315169011.db2.gz UALCTWSSLVAAOA-OAHLLOKOSA-N 1 2 333.290 2.638 20 5 EFBDLO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1C[NH2+]CC1(F)F ZINC001218236508 1315169139 /nfs/dbraw/zinc/16/91/39/1315169139.db2.gz IEWZBZZHNIUAKG-AWEZNQCLSA-N 1 2 327.331 2.571 20 5 EFBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218348543 1315182711 /nfs/dbraw/zinc/18/27/11/1315182711.db2.gz SJGRARZMYWWXHD-SJORKVTESA-N 1 2 342.351 2.544 20 5 EFBDLO COc1cc([N+](=O)[O-])cc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c1O ZINC001250820043 1315272392 /nfs/dbraw/zinc/27/23/92/1315272392.db2.gz OCQCMQAGTCXSHB-UHFFFAOYSA-N 1 2 342.355 2.914 20 5 EFBDLO COc1cc([N+](=O)[O-])cc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)c1O ZINC001250820043 1315272394 /nfs/dbraw/zinc/27/23/94/1315272394.db2.gz OCQCMQAGTCXSHB-UHFFFAOYSA-N 1 2 342.355 2.914 20 5 EFBDLO Nc1c(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cccc1[N+](=O)[O-] ZINC001250953199 1315299988 /nfs/dbraw/zinc/29/99/88/1315299988.db2.gz RULDBTVHMHLHIV-UHFFFAOYSA-N 1 2 339.355 2.557 20 5 EFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001254557778 1315723230 /nfs/dbraw/zinc/72/32/30/1315723230.db2.gz AOEMNVMMFJLLJC-LBPRGKRZSA-N 1 2 325.359 2.551 20 5 EFBDLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254561582 1315723969 /nfs/dbraw/zinc/72/39/69/1315723969.db2.gz MCMFEIFTUFGPNM-KBPBESRZSA-N 1 2 344.415 2.946 20 5 EFBDLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254561582 1315723971 /nfs/dbraw/zinc/72/39/71/1315723971.db2.gz MCMFEIFTUFGPNM-KBPBESRZSA-N 1 2 344.415 2.946 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039498783 1315844431 /nfs/dbraw/zinc/84/44/31/1315844431.db2.gz BFJIOYRFNWKOTB-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039498783 1315844433 /nfs/dbraw/zinc/84/44/33/1315844433.db2.gz BFJIOYRFNWKOTB-HDICACEKSA-N 1 2 343.427 2.960 20 5 EFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001261727737 1316427830 /nfs/dbraw/zinc/42/78/30/1316427830.db2.gz YTUZWHGYRWXMHK-LBPRGKRZSA-N 1 2 346.362 2.562 20 5 EFBDLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001320235329 1329105009 /nfs/dbraw/zinc/10/50/09/1329105009.db2.gz WHTAFJUUKFJJKF-MRXNPFEDSA-N 1 2 331.416 2.948 20 5 EFBDLO CC(C)(C)CN1CCC[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001320235329 1329105011 /nfs/dbraw/zinc/10/50/11/1329105011.db2.gz WHTAFJUUKFJJKF-MRXNPFEDSA-N 1 2 331.416 2.948 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)c1 ZINC001307829863 1324782633 /nfs/dbraw/zinc/78/26/33/1324782633.db2.gz TVBLEDYALRSATM-RISCZKNCSA-N 1 2 341.205 2.968 20 5 EFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)c1 ZINC001307829863 1324782638 /nfs/dbraw/zinc/78/26/38/1324782638.db2.gz TVBLEDYALRSATM-RISCZKNCSA-N 1 2 341.205 2.968 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317704818 1328310545 /nfs/dbraw/zinc/31/05/45/1328310545.db2.gz VGFBUZKRHAZMLJ-QWHCGFSZSA-N 1 2 343.383 2.660 20 5 EFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317704818 1328310551 /nfs/dbraw/zinc/31/05/51/1328310551.db2.gz VGFBUZKRHAZMLJ-QWHCGFSZSA-N 1 2 343.383 2.660 20 5 EFBDLO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001323692310 1329561562 /nfs/dbraw/zinc/56/15/62/1329561562.db2.gz DVZSXGGLMGTZMO-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001323692310 1329561563 /nfs/dbraw/zinc/56/15/63/1329561563.db2.gz DVZSXGGLMGTZMO-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO Cc1cc(C[N@@H+]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC001324191433 1329606788 /nfs/dbraw/zinc/60/67/88/1329606788.db2.gz MBPCUAGVPHYNSQ-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO Cc1cc(C[N@H+]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC001324191433 1329606791 /nfs/dbraw/zinc/60/67/91/1329606791.db2.gz MBPCUAGVPHYNSQ-UHFFFAOYSA-N 1 2 330.388 2.912 20 5 EFBDLO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001325714209 1329708222 /nfs/dbraw/zinc/70/82/22/1329708222.db2.gz SWDNISLKZZLYKZ-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001325714209 1329708223 /nfs/dbraw/zinc/70/82/23/1329708223.db2.gz SWDNISLKZZLYKZ-UHFFFAOYSA-N 1 2 333.775 2.979 20 5 EFBDLO C[C@@H]1OCC[C@@H]1c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001326565765 1330318621 /nfs/dbraw/zinc/31/86/21/1330318621.db2.gz HFFREKFICQGGNP-JQWIXIFHSA-N 1 2 341.327 2.723 20 5 EFBDLO O=C1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1 ZINC001331740440 1330871366 /nfs/dbraw/zinc/87/13/66/1330871366.db2.gz CVCOBOWBQBRKFC-UHFFFAOYSA-N 1 2 349.774 2.830 20 5 EFBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1 ZINC001331740440 1330871370 /nfs/dbraw/zinc/87/13/70/1330871370.db2.gz CVCOBOWBQBRKFC-UHFFFAOYSA-N 1 2 349.774 2.830 20 5 EFBDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001338148702 1331661996 /nfs/dbraw/zinc/66/19/96/1331661996.db2.gz XQQNEVAYUXQHNC-UHFFFAOYSA-N 1 2 333.388 2.777 20 5 EFBDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001338148702 1331662000 /nfs/dbraw/zinc/66/20/00/1331662000.db2.gz XQQNEVAYUXQHNC-UHFFFAOYSA-N 1 2 333.388 2.777 20 5 EFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001339260159 1331828476 /nfs/dbraw/zinc/82/84/76/1331828476.db2.gz YXNYTLRTTRXWIG-UHFFFAOYSA-N 1 2 346.362 2.796 20 5 EFBDLO Cc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)ccc1[N+](=O)[O-] ZINC001339259138 1331828645 /nfs/dbraw/zinc/82/86/45/1331828645.db2.gz QSVZOMDVYVSXLP-UHFFFAOYSA-N 1 2 328.372 2.657 20 5 EFBDLO Cc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001339373879 1331852073 /nfs/dbraw/zinc/85/20/73/1331852073.db2.gz CBEHGCWAOJWMAY-UHFFFAOYSA-N 1 2 328.372 2.657 20 5 EFBDLO C[C@@H](C(=O)N1CCC(c2c[nH+]cn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001341080369 1332232610 /nfs/dbraw/zinc/23/26/10/1332232610.db2.gz NAGDAFKDRQVWQT-CYBMUJFWSA-N 1 2 342.399 2.838 20 5 EFBDLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001348636988 1332855587 /nfs/dbraw/zinc/85/55/87/1332855587.db2.gz BCXCYZWKBZJNHC-CVEARBPZSA-N 1 2 329.356 2.608 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001350164938 1333042974 /nfs/dbraw/zinc/04/29/74/1333042974.db2.gz NPONDIZHOTYDPY-UHFFFAOYSA-N 1 2 328.372 2.657 20 5 EFBDLO Cn1cc[nH+]c1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001350513175 1333091301 /nfs/dbraw/zinc/09/13/01/1333091301.db2.gz ZLERFGPRRUOKFC-UHFFFAOYSA-N 1 2 343.170 2.608 20 5 EFBDLO O=C(CC1CCC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002504030 1334304561 /nfs/dbraw/zinc/30/45/61/1334304561.db2.gz GYSFCWLXBPSUJW-UHFFFAOYSA-N 1 2 337.445 2.927 20 5 EFBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001002505515 1334307275 /nfs/dbraw/zinc/30/72/75/1334307275.db2.gz RFUFCWZTUNZYPB-UHFFFAOYSA-N 1 2 335.429 2.703 20 5 EFBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001002586607 1334441948 /nfs/dbraw/zinc/44/19/48/1334441948.db2.gz BKBIUWLJFFLISG-UHFFFAOYSA-N 1 2 335.429 2.847 20 5 EFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000848475947 1334735463 /nfs/dbraw/zinc/73/54/63/1334735463.db2.gz WEHKXAHEOUNZTL-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000848475947 1334735465 /nfs/dbraw/zinc/73/54/65/1334735465.db2.gz WEHKXAHEOUNZTL-ZDUSSCGKSA-N 1 2 330.388 2.915 20 5 EFBDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000849212226 1335569707 /nfs/dbraw/zinc/56/97/07/1335569707.db2.gz OBZQRMASDZKGRU-UHFFFAOYSA-N 1 2 348.746 2.733 20 5 EFBDLO O=C(CC[NH+]1CC2C3CCC(C3)C2C1)Nc1ccccc1[N+](=O)[O-] ZINC000339570423 713086328 /nfs/dbraw/zinc/08/63/28/713086328.db2.gz TWNGCJFIWWIYKR-BYNSBNAKSA-N 1 2 329.400 2.901 20 5 EFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000127080378 713183010 /nfs/dbraw/zinc/18/30/10/713183010.db2.gz BGNKJSQWHCRIEC-UHFFFAOYSA-N 1 2 334.763 2.875 20 5 EFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804808617 713477003 /nfs/dbraw/zinc/47/70/03/713477003.db2.gz KGDFVBSLBXDUDU-DGCLKSJQSA-N 1 2 348.428 2.504 20 5 EFBDLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526965 714451397 /nfs/dbraw/zinc/45/13/97/714451397.db2.gz LIAVNXGQUGCECW-JQWIXIFHSA-N 1 2 349.284 2.548 20 5 EFBDLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840526965 714451400 /nfs/dbraw/zinc/45/14/00/714451400.db2.gz LIAVNXGQUGCECW-JQWIXIFHSA-N 1 2 349.284 2.548 20 5 EFBDLO CC(C)C[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000072916906 717994457 /nfs/dbraw/zinc/99/44/57/717994457.db2.gz PHLBSEBTERAPAR-LBPRGKRZSA-N 1 2 331.372 2.516 20 5 EFBDLO CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000072916906 717994461 /nfs/dbraw/zinc/99/44/61/717994461.db2.gz PHLBSEBTERAPAR-LBPRGKRZSA-N 1 2 331.372 2.516 20 5 EFBDLO Cc1cc(F)ncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000891723127 714976760 /nfs/dbraw/zinc/97/67/60/714976760.db2.gz HKPHZCAKQYATPL-UHFFFAOYSA-N 1 2 330.363 2.760 20 5 EFBDLO Cc1occc1C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980675297 717581688 /nfs/dbraw/zinc/58/16/88/717581688.db2.gz AISRHZSVEDLDHB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1occc1C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980675297 717581691 /nfs/dbraw/zinc/58/16/91/717581691.db2.gz AISRHZSVEDLDHB-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892693465 718747037 /nfs/dbraw/zinc/74/70/37/718747037.db2.gz BQAACTBLBJVGQN-GFCCVEGCSA-N 1 2 349.822 2.865 20 5 EFBDLO O=C(N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1(F)CCCC1 ZINC000981510165 718771944 /nfs/dbraw/zinc/77/19/44/718771944.db2.gz MQMOQZPFQJUEKI-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO O=C(N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1(F)CCCC1 ZINC000981510165 718771945 /nfs/dbraw/zinc/77/19/45/718771945.db2.gz MQMOQZPFQJUEKI-UHFFFAOYSA-N 1 2 349.406 2.911 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981768233 719017180 /nfs/dbraw/zinc/01/71/80/719017180.db2.gz PISUJRMJVKHXGK-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO Cc1cocc1C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981768233 719017184 /nfs/dbraw/zinc/01/71/84/719017184.db2.gz PISUJRMJVKHXGK-UHFFFAOYSA-N 1 2 343.383 2.844 20 5 EFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000023994163 719278036 /nfs/dbraw/zinc/27/80/36/719278036.db2.gz PGPIUAKETAKGTC-UHFFFAOYSA-N 1 2 345.336 2.548 20 5 EFBDLO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000312870906 721268654 /nfs/dbraw/zinc/26/86/54/721268654.db2.gz SWWIMPQBQIYCKS-GFCCVEGCSA-N 1 2 343.221 2.950 20 5 EFBDLO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC[C@H]1O ZINC000312870906 721268658 /nfs/dbraw/zinc/26/86/58/721268658.db2.gz SWWIMPQBQIYCKS-GFCCVEGCSA-N 1 2 343.221 2.950 20 5 EFBDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029193205 723046424 /nfs/dbraw/zinc/04/64/24/723046424.db2.gz JKUMPBXLCJFXOZ-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029193205 723046426 /nfs/dbraw/zinc/04/64/26/723046426.db2.gz JKUMPBXLCJFXOZ-IYBDPMFKSA-N 1 2 331.416 2.816 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000896132793 723152269 /nfs/dbraw/zinc/15/22/69/723152269.db2.gz LJHUWPSZCFICFJ-ZDUSSCGKSA-N 1 2 328.372 2.955 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029317651 723341233 /nfs/dbraw/zinc/34/12/33/723341233.db2.gz HHMPYZLQNVDIJT-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029317651 723341237 /nfs/dbraw/zinc/34/12/37/723341237.db2.gz HHMPYZLQNVDIJT-IYBDPMFKSA-N 1 2 329.400 2.570 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728560998 724095772 /nfs/dbraw/zinc/09/57/72/724095772.db2.gz XBKLLOIKHKOCAK-QGZVFWFLSA-N 1 2 340.383 2.650 20 5 EFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728560998 724095775 /nfs/dbraw/zinc/09/57/75/724095775.db2.gz XBKLLOIKHKOCAK-QGZVFWFLSA-N 1 2 340.383 2.650 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029458222 724349487 /nfs/dbraw/zinc/34/94/87/724349487.db2.gz HAZWLPHDFXGEPB-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029458222 724349493 /nfs/dbraw/zinc/34/94/93/724349493.db2.gz HAZWLPHDFXGEPB-CALCHBBNSA-N 1 2 343.427 2.960 20 5 EFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444656806 728922480 /nfs/dbraw/zinc/92/24/80/728922480.db2.gz IDIYRWWUMNCYHR-ZDUSSCGKSA-N 1 2 328.372 2.657 20 5 EFBDLO CC(C)CC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000026626126 726188283 /nfs/dbraw/zinc/18/82/83/726188283.db2.gz UEDCIFALAPVNSD-UHFFFAOYSA-N 1 2 331.372 2.659 20 5 EFBDLO CC(C)CC[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000026626126 726188286 /nfs/dbraw/zinc/18/82/86/726188286.db2.gz UEDCIFALAPVNSD-UHFFFAOYSA-N 1 2 331.372 2.659 20 5 EFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152636615 726197699 /nfs/dbraw/zinc/19/76/99/726197699.db2.gz MNFWWAIJEMLCFZ-UHFFFAOYSA-N 1 2 341.776 2.858 20 5 EFBDLO CN(C)c1cc(COC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000910028051 727404502 /nfs/dbraw/zinc/40/45/02/727404502.db2.gz PFSINOPGYLXOPN-HZPDHXFCSA-N 1 2 341.367 2.903 20 5 EFBDLO Cc1cccc2c1CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000170922167 728496636 /nfs/dbraw/zinc/49/66/36/728496636.db2.gz DTLSRXGTIGNONC-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO Cc1cccc2c1CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000170922167 728496637 /nfs/dbraw/zinc/49/66/37/728496637.db2.gz DTLSRXGTIGNONC-UHFFFAOYSA-N 1 2 339.395 2.924 20 5 EFBDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241987 728656035 /nfs/dbraw/zinc/65/60/35/728656035.db2.gz IWJMQMDMHZMKNF-CYBMUJFWSA-N 1 2 336.388 2.780 20 5 EFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c2nonc21 ZINC000921189921 729272427 /nfs/dbraw/zinc/27/24/27/729272427.db2.gz JPLGRVXFDCXEAN-UHFFFAOYSA-N 1 2 336.311 2.929 20 5 EFBDLO