smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001569394332 1085177085 /nfs/dbraw/zinc/17/70/85/1085177085.db2.gz DXPQIPATXDTJBG-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001569873153 1085703074 /nfs/dbraw/zinc/70/30/74/1085703074.db2.gz ZKAHGJCDUAXFLC-IYBDPMFKSA-N 1 0 331.416 2.675 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C=C1CCC1 ZINC001570194964 1086042588 /nfs/dbraw/zinc/04/25/88/1086042588.db2.gz FGLAZULFROKXOG-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(C)c1 ZINC001570195909 1086045973 /nfs/dbraw/zinc/04/59/73/1086045973.db2.gz YVPVRAJGGGUZRZ-UHFFFAOYSA-N 1 0 344.415 2.527 10 5 EFBERO CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001570310968 1086139768 /nfs/dbraw/zinc/13/97/68/1086139768.db2.gz LWCGAHFJYZMJIU-GRFNRIFCSA-N 1 0 343.427 2.640 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001570619864 1086412980 /nfs/dbraw/zinc/41/29/80/1086412980.db2.gz VBXJNYLWPVRGTQ-HZPDHXFCSA-N 1 0 345.443 2.861 10 5 EFBERO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001647591423 1089587129 /nfs/dbraw/zinc/58/71/29/1089587129.db2.gz ZSPMTPSSSGPUHT-GXTWGEPZSA-N 1 0 346.387 2.628 10 5 EFBERO CC[NH+](CC)CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC001648042318 1089934332 /nfs/dbraw/zinc/93/43/32/1089934332.db2.gz PQVNRVJUBGBKKC-CQSZACIVSA-N 1 0 345.403 2.521 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001648107616 1089945136 /nfs/dbraw/zinc/94/51/36/1089945136.db2.gz WDDOGWBDAGTCNN-UHFFFAOYSA-N 1 0 337.420 2.761 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(c2nccn2C)CC1 ZINC001648212227 1089960115 /nfs/dbraw/zinc/96/01/15/1089960115.db2.gz JDCSAAXOSCZVAF-AWEZNQCLSA-N 1 0 344.415 2.681 10 5 EFBERO C[C@H](Cc1cccnc1)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001648583974 1092233697 /nfs/dbraw/zinc/23/36/97/1092233697.db2.gz YGOXQUXHXMAMSU-GFCCVEGCSA-N 1 0 339.355 2.761 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001648641688 1092242238 /nfs/dbraw/zinc/24/22/38/1092242238.db2.gz IKUWDKUAQMWCLB-ZIAGYGMSSA-N 1 0 335.404 2.731 10 5 EFBERO Cn1cncc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001648644232 1092242263 /nfs/dbraw/zinc/24/22/63/1092242263.db2.gz DKPGGMUTZSAZBM-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC001648641559 1092242991 /nfs/dbraw/zinc/24/29/91/1092242991.db2.gz DDAIUTXPFHEKEP-SFHVURJKSA-N 1 0 347.415 2.877 10 5 EFBERO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001167508079 1092498237 /nfs/dbraw/zinc/49/82/37/1092498237.db2.gz DEDRZLBYEDOCGV-KRWDZBQOSA-N 1 0 343.431 2.597 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001587990220 1092879865 /nfs/dbraw/zinc/87/98/65/1092879865.db2.gz KSVQTKBRFVZSBR-UONOGXRCSA-N 1 0 347.415 2.550 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C\c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001267240584 1093336987 /nfs/dbraw/zinc/33/69/87/1093336987.db2.gz QZZHBTSWQYGANC-HJWRWDBZSA-N 1 0 342.399 2.574 10 5 EFBERO CCC[N@@H+]1CC[C@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001650677152 1093481992 /nfs/dbraw/zinc/48/19/92/1093481992.db2.gz TWQQTRDXYQTFJH-GFCCVEGCSA-N 1 0 332.379 2.848 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1CCC[N@H+]1CCCO ZINC001651087445 1093525761 /nfs/dbraw/zinc/52/57/61/1093525761.db2.gz JLKZOOFNTHFNAZ-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001267343826 1093626394 /nfs/dbraw/zinc/62/63/94/1093626394.db2.gz KCZVZWOWHWCVFI-UHFFFAOYSA-N 1 0 325.415 2.580 10 5 EFBERO C[NH+](C)CC[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001595447558 1094469895 /nfs/dbraw/zinc/46/98/95/1094469895.db2.gz NGHBVRRRQCJDHZ-HNNXBMFYSA-N 1 0 345.443 2.817 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC(CC1)C2 ZINC001267391257 1094470288 /nfs/dbraw/zinc/47/02/88/1094470288.db2.gz DFFGANIQQFPPRX-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO COc1csc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001267411662 1094487619 /nfs/dbraw/zinc/48/76/19/1094487619.db2.gz AYVNNPXACKTBOE-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001481130099 1094883154 /nfs/dbraw/zinc/88/31/54/1094883154.db2.gz KGUAYEGKEYHRAP-UHFFFAOYSA-N 1 0 330.388 2.565 10 5 EFBERO Cc1ccc(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC001481156710 1095032157 /nfs/dbraw/zinc/03/21/57/1095032157.db2.gz AYPRUJGOXKAQHL-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO C/C(=C\C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785354439 1095076303 /nfs/dbraw/zinc/07/63/03/1095076303.db2.gz KGQATPVFRVHAIR-WYMLVPIESA-N 1 0 329.400 2.552 10 5 EFBERO C/C(=C/C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357814 1095113523 /nfs/dbraw/zinc/11/35/23/1095113523.db2.gz KHJASAIFPFKYSU-OWBHPGMISA-N 1 0 343.427 2.989 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001268231167 1096138786 /nfs/dbraw/zinc/13/87/86/1096138786.db2.gz XTNKFRRUABBNJU-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)ns1 ZINC001268236421 1096150689 /nfs/dbraw/zinc/15/06/89/1096150689.db2.gz XLCIUKCXORDPFK-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C=CC=CC=C1 ZINC001268451441 1096632355 /nfs/dbraw/zinc/63/23/55/1096632355.db2.gz KVKJPNUVEOWHAM-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CCC(=O)N1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001481992189 1097058254 /nfs/dbraw/zinc/05/82/54/1097058254.db2.gz SUMWIRYPJCSVQO-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626180934 1097066717 /nfs/dbraw/zinc/06/67/17/1097066717.db2.gz SDTAQMMRFHIDIT-UMVBOHGHSA-N 1 0 346.431 2.654 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001268600093 1097447106 /nfs/dbraw/zinc/44/71/06/1097447106.db2.gz YIEVEGXPFIRZNI-WAYWQWQTSA-N 1 0 342.399 2.616 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)n1 ZINC001606983910 1097489607 /nfs/dbraw/zinc/48/96/07/1097489607.db2.gz XVIVUNAQVAPVTO-DOTOQJQBSA-N 1 0 346.431 2.633 10 5 EFBERO C/C(=C/C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001268781484 1097628341 /nfs/dbraw/zinc/62/83/41/1097628341.db2.gz AFHSYIUXOMSWCW-OWBHPGMISA-N 1 0 331.416 2.889 10 5 EFBERO Nc1cc(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc[nH+]1 ZINC001608285576 1097882607 /nfs/dbraw/zinc/88/26/07/1097882607.db2.gz ZGJNLVYJOJHROJ-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO Cc1ccoc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269375437 1098094884 /nfs/dbraw/zinc/09/48/84/1098094884.db2.gz VVUHABSFSNKWOR-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001611860556 1099035642 /nfs/dbraw/zinc/03/56/42/1099035642.db2.gz GPXBIHFRYCDHGX-ZJUUUORDSA-N 1 0 349.357 2.879 10 5 EFBERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001611860554 1099035932 /nfs/dbraw/zinc/03/59/32/1099035932.db2.gz GPXBIHFRYCDHGX-UWVGGRQHSA-N 1 0 349.357 2.879 10 5 EFBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001611908495 1099038224 /nfs/dbraw/zinc/03/82/24/1099038224.db2.gz HXCCQXVCPNHSHC-LLVKDONJSA-N 1 0 326.828 2.988 10 5 EFBERO CC[N@@H+]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC001612145766 1099046492 /nfs/dbraw/zinc/04/64/92/1099046492.db2.gz XBWPIJXFTJQJEI-GFCCVEGCSA-N 1 0 330.388 2.682 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC001612606620 1099070773 /nfs/dbraw/zinc/07/07/73/1099070773.db2.gz DBIYJZRBOXXUDW-KBPBESRZSA-N 1 0 327.388 2.823 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001613092807 1099091032 /nfs/dbraw/zinc/09/10/32/1099091032.db2.gz OYKSGGRFSMVDBJ-CQSZACIVSA-N 1 0 345.374 2.763 10 5 EFBERO O=[N+]([O-])c1nccn1CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001614845153 1099144101 /nfs/dbraw/zinc/14/41/01/1099144101.db2.gz UOORGMWQPXTRIO-UHFFFAOYSA-N 1 0 349.822 2.657 10 5 EFBERO Cc1c(CNC(=O)C2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC001616305687 1099174069 /nfs/dbraw/zinc/17/40/69/1099174069.db2.gz OCRRXUDMFQHOSZ-UHFFFAOYSA-N 1 0 333.432 2.887 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)(F)F ZINC001481305847 1099192219 /nfs/dbraw/zinc/19/22/19/1099192219.db2.gz RTSTWCKFIPCKBD-UHFFFAOYSA-N 1 0 347.337 2.731 10 5 EFBERO COc1ccccc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001481307303 1099200069 /nfs/dbraw/zinc/20/00/69/1099200069.db2.gz SERXJHHWWZYORO-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO C/C(=C\C(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785265152 1099236094 /nfs/dbraw/zinc/23/60/94/1099236094.db2.gz ZBQIOXHYPAYHHI-FYWRMAATSA-N 1 0 331.416 2.846 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](O)C23CCCC3)o1 ZINC001618233666 1099286566 /nfs/dbraw/zinc/28/65/66/1099286566.db2.gz ATELCACLCLLFQA-CQSZACIVSA-N 1 0 344.371 2.524 10 5 EFBERO COCC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001619457536 1099328514 /nfs/dbraw/zinc/32/85/14/1099328514.db2.gz TYFVIUDRHBFXIR-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CCC1 ZINC001481270667 1099362958 /nfs/dbraw/zinc/36/29/58/1099362958.db2.gz AYECOIANONTGQA-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001620680747 1099370954 /nfs/dbraw/zinc/37/09/54/1099370954.db2.gz OPHBGQDMHXSPAE-MZMPZRCHSA-N 1 0 347.415 2.813 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001625590995 1099830509 /nfs/dbraw/zinc/83/05/09/1099830509.db2.gz RSTMXPHYSAVGEP-DGCLKSJQSA-N 1 0 337.395 2.893 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)CC(C)C ZINC001627123388 1099958857 /nfs/dbraw/zinc/95/88/57/1099958857.db2.gz FRKWWPIKQSECGF-HNNXBMFYSA-N 1 0 336.436 2.785 10 5 EFBERO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001628127223 1100065688 /nfs/dbraw/zinc/06/56/88/1100065688.db2.gz ZUWQBYAWCDYXEW-KGLIPLIRSA-N 1 0 339.823 2.780 10 5 EFBERO Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(C[NH+](C)C)c1 ZINC001629290667 1100191587 /nfs/dbraw/zinc/19/15/87/1100191587.db2.gz PLLUIWQQYSDNCD-UHFFFAOYSA-N 1 0 337.767 2.594 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630560254 1100317696 /nfs/dbraw/zinc/31/76/96/1100317696.db2.gz JVTDHJPXCMKRCS-OAHLLOKOSA-N 1 0 339.823 2.985 10 5 EFBERO COc1ccc(CNC(=O)C2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001630722088 1100333481 /nfs/dbraw/zinc/33/34/81/1100333481.db2.gz HBNKSDAQDJNBMH-UHFFFAOYSA-N 1 0 349.431 2.588 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001630936593 1100355562 /nfs/dbraw/zinc/35/55/62/1100355562.db2.gz XDTNRAWBGGJCPT-HNNXBMFYSA-N 1 0 331.416 2.600 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001631057445 1100365242 /nfs/dbraw/zinc/36/52/42/1100365242.db2.gz NPHHVNMRIAFYMZ-ZIAGYGMSSA-N 1 0 349.431 2.844 10 5 EFBERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001632747681 1100498609 /nfs/dbraw/zinc/49/86/09/1100498609.db2.gz BLOAGYKSRCFOEJ-GFCCVEGCSA-N 1 0 344.415 2.790 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684846 1100624354 /nfs/dbraw/zinc/62/43/54/1100624354.db2.gz CMDKQYBLUULLEN-SUMWQHHRSA-N 1 0 342.399 2.563 10 5 EFBERO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c[nH+]cn2c1 ZINC001636202281 1100706657 /nfs/dbraw/zinc/70/66/57/1100706657.db2.gz GQYVIBBLCAIYFC-UHFFFAOYSA-N 1 0 325.328 2.683 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3ccc([N+](=O)[O-])cc3N)CC2)CC1 ZINC001636471642 1100721131 /nfs/dbraw/zinc/72/11/31/1100721131.db2.gz RRYRDLREJUGSEY-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001636678449 1100732866 /nfs/dbraw/zinc/73/28/66/1100732866.db2.gz NWBOROGLDZZAAL-UHFFFAOYSA-N 1 0 343.387 2.847 10 5 EFBERO Cc1nn(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000840145508 1100847035 /nfs/dbraw/zinc/84/70/35/1100847035.db2.gz PSBDEIRYOJGALR-UHFFFAOYSA-N 1 0 337.468 2.890 10 5 EFBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001638539347 1100866459 /nfs/dbraw/zinc/86/64/59/1100866459.db2.gz MIRHDOHFVQVKKR-UHFFFAOYSA-N 1 0 346.431 2.704 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001638769810 1100885587 /nfs/dbraw/zinc/88/55/87/1100885587.db2.gz NXFXFVJFRWOMRK-ZIAGYGMSSA-N 1 0 337.445 2.532 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001639136348 1100918183 /nfs/dbraw/zinc/91/81/83/1100918183.db2.gz VZBGYMHDENNEBH-CQSZACIVSA-N 1 0 337.445 2.777 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001639266955 1100931305 /nfs/dbraw/zinc/93/13/05/1100931305.db2.gz RCFMIRXHKBGWQR-LBPRGKRZSA-N 1 0 325.796 2.708 10 5 EFBERO COCC[N@@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001639489451 1100955504 /nfs/dbraw/zinc/95/55/04/1100955504.db2.gz PUPUFBOINZJTMJ-LLVKDONJSA-N 1 0 333.310 2.746 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001639798457 1100984538 /nfs/dbraw/zinc/98/45/38/1100984538.db2.gz WUDBKEXNDSUCGN-HZPDHXFCSA-N 1 0 348.447 2.632 10 5 EFBERO CCC(CC)[NH2+]CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001640104997 1101014432 /nfs/dbraw/zinc/01/44/32/1101014432.db2.gz BMEDOCRRHWQCNG-UHFFFAOYSA-N 1 0 347.375 2.663 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c21 ZINC001640439037 1101047170 /nfs/dbraw/zinc/04/71/70/1101047170.db2.gz YLZYMOOELMMNNB-OAHLLOKOSA-N 1 0 335.367 2.689 10 5 EFBERO CN(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC001641505724 1101141648 /nfs/dbraw/zinc/14/16/48/1101141648.db2.gz KDEKXNSWMABIFR-UHFFFAOYSA-N 1 0 340.427 2.853 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001642247909 1101202107 /nfs/dbraw/zinc/20/21/07/1101202107.db2.gz JCHOWRHLBCSQGS-CYBMUJFWSA-N 1 0 330.363 2.600 10 5 EFBERO CN(CCc1ccccn1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001642293617 1101204155 /nfs/dbraw/zinc/20/41/55/1101204155.db2.gz FATJKFBAJJKAMC-UHFFFAOYSA-N 1 0 339.355 2.714 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001642418160 1101211899 /nfs/dbraw/zinc/21/18/99/1101211899.db2.gz VCDFDGRZOQKLME-HZPDHXFCSA-N 1 0 331.416 2.814 10 5 EFBERO CCc1cc(NC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001642764352 1101238878 /nfs/dbraw/zinc/23/88/78/1101238878.db2.gz ZHZJWSNZVYHZTN-UHFFFAOYSA-N 1 0 343.431 2.788 10 5 EFBERO CCO[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC001643159378 1101275913 /nfs/dbraw/zinc/27/59/13/1101275913.db2.gz AFIFRUJXXYLLHV-LLVKDONJSA-N 1 0 335.326 2.992 10 5 EFBERO CCO[C@H](CNc1cccc(Br)c1[N+](=O)[O-])C[NH+](C)C ZINC001643159883 1101277028 /nfs/dbraw/zinc/27/70/28/1101277028.db2.gz JKDUUKXKSNHIBH-SNVBAGLBSA-N 1 0 346.225 2.736 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CC)C2)cc1C ZINC001643240397 1101283593 /nfs/dbraw/zinc/28/35/93/1101283593.db2.gz DMJWYGPUWKBESP-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)c2c1 ZINC001643251778 1101284549 /nfs/dbraw/zinc/28/45/49/1101284549.db2.gz QWUOMDLAQVAVJU-XIKOKIGWSA-N 1 0 342.399 2.540 10 5 EFBERO CC(C)c1ccccc1C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266592555 1101315050 /nfs/dbraw/zinc/31/50/50/1101315050.db2.gz SUZAPNJHTRGZHI-QZTJIDSGSA-N 1 0 345.443 2.556 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3c4cc(Cl)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001651524798 1101341483 /nfs/dbraw/zinc/34/14/83/1101341483.db2.gz FMQRKYSLEZLEGZ-VZJVUDMVSA-N 1 0 346.818 2.970 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651574102 1101349839 /nfs/dbraw/zinc/34/98/39/1101349839.db2.gz FADALKRHOPVBRK-CHWSQXEVSA-N 1 0 332.379 2.989 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651574103 1101350515 /nfs/dbraw/zinc/35/05/15/1101350515.db2.gz FADALKRHOPVBRK-OLZOCXBDSA-N 1 0 332.379 2.989 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC001652040888 1101425394 /nfs/dbraw/zinc/42/53/94/1101425394.db2.gz CBPJGUTWLXLEKV-LSDHHAIUSA-N 1 0 327.388 2.823 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001167396954 1101440247 /nfs/dbraw/zinc/44/02/47/1101440247.db2.gz IDHQKNPHKCRZMX-JKSUJKDBSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001652148758 1101443759 /nfs/dbraw/zinc/44/37/59/1101443759.db2.gz ZGQQGJAWQAAVMB-UHFFFAOYSA-N 1 0 327.384 2.931 10 5 EFBERO O=C(Nc1ccc2c[nH+]cn2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001652861603 1101558886 /nfs/dbraw/zinc/55/88/86/1101558886.db2.gz BIHKXFGXLHQVCW-UHFFFAOYSA-N 1 0 349.306 2.749 10 5 EFBERO CC(C)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)O ZINC001653550990 1101630809 /nfs/dbraw/zinc/63/08/09/1101630809.db2.gz JQLQXXSLBDJKMY-AWEZNQCLSA-N 1 0 334.376 2.530 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC001654030265 1101671311 /nfs/dbraw/zinc/67/13/11/1101671311.db2.gz IVHZGQOZBHDODU-NSHDSACASA-N 1 0 325.796 2.723 10 5 EFBERO COc1ccc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001654099249 1101684591 /nfs/dbraw/zinc/68/45/91/1101684591.db2.gz NASKTLFPTVKHCZ-CQSZACIVSA-N 1 0 335.404 2.517 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001654466427 1101721032 /nfs/dbraw/zinc/72/10/32/1101721032.db2.gz YYUPOHOWRFCMLH-LLVKDONJSA-N 1 0 343.387 2.574 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@]34CCCO4)n2)cc1 ZINC001654626055 1101742136 /nfs/dbraw/zinc/74/21/36/1101742136.db2.gz AXNMTKRTGVIOPW-PBHICJAKSA-N 1 0 344.371 2.836 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220222 1101795779 /nfs/dbraw/zinc/79/57/79/1101795779.db2.gz ANACFDDPVWLHKM-BONVTDFDSA-N 1 0 343.339 2.826 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC[N@H+]1CC=CCC1 ZINC001655433254 1101824842 /nfs/dbraw/zinc/82/48/42/1101824842.db2.gz ABDTVHSWQOYVGP-UHFFFAOYSA-N 1 0 332.791 2.892 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nccnc1C ZINC001655518167 1101837822 /nfs/dbraw/zinc/83/78/22/1101837822.db2.gz NYSQMWUEWCHHHI-GFCCVEGCSA-N 1 0 343.387 2.681 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(C)C ZINC001655598722 1101857012 /nfs/dbraw/zinc/85/70/12/1101857012.db2.gz WJFTVJZYLPIEAZ-GJZGRUSLSA-N 1 0 332.404 2.620 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001655669472 1101868057 /nfs/dbraw/zinc/86/80/57/1101868057.db2.gz GZWAEIIXAOKPRX-CABCVRRESA-N 1 0 333.388 2.666 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CC2(CC2)C1 ZINC001673209538 1101882319 /nfs/dbraw/zinc/88/23/19/1101882319.db2.gz CXHYYPOEYOCQNX-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO C[C@@]12CSC[C@@H]1C[N@H+](Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC001655813179 1101894589 /nfs/dbraw/zinc/89/45/89/1101894589.db2.gz MQZYGWSYNFWAHY-MEDUHNTESA-N 1 0 346.412 2.830 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1Cl ZINC001266686902 1101895933 /nfs/dbraw/zinc/89/59/33/1101895933.db2.gz TYRAXMZJYJQZLU-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H]2CCOC23CCCC3)o1 ZINC001655823961 1101899489 /nfs/dbraw/zinc/89/94/89/1101899489.db2.gz RALPLUGEPAISOU-AWEZNQCLSA-N 1 0 344.371 2.836 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC(C)(C)C[NH+](C)C ZINC001655929762 1101912681 /nfs/dbraw/zinc/91/26/81/1101912681.db2.gz GQNDOMFTWDSXST-UHFFFAOYSA-N 1 0 337.420 2.714 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001655965213 1101918171 /nfs/dbraw/zinc/91/81/71/1101918171.db2.gz KLRVHEFLCGPJHK-CQSZACIVSA-N 1 0 349.822 2.924 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001656222014 1102007546 /nfs/dbraw/zinc/00/75/46/1102007546.db2.gz ACYIPPFWOOGNCU-SHTZXODSSA-N 1 0 331.416 2.769 10 5 EFBERO Cc1cc(C)nc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001266754620 1102115338 /nfs/dbraw/zinc/11/53/38/1102115338.db2.gz SMXGADBAYDJRJJ-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC000713985536 1102122149 /nfs/dbraw/zinc/12/21/49/1102122149.db2.gz WQSHPTRRNOKRBH-QMMMGPOBSA-N 1 0 345.193 2.889 10 5 EFBERO CC[C@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001657424954 1102381546 /nfs/dbraw/zinc/38/15/46/1102381546.db2.gz WDNOUSFMPNGKHG-GOSISDBHSA-N 1 0 343.431 2.560 10 5 EFBERO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC001659280057 1102530528 /nfs/dbraw/zinc/53/05/28/1102530528.db2.gz ATEISEXRQRYKMN-IBGZPJMESA-N 1 0 325.412 2.954 10 5 EFBERO Cc1c(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001659462933 1102542093 /nfs/dbraw/zinc/54/20/93/1102542093.db2.gz XINQZTFUQFSCGK-QGZVFWFLSA-N 1 0 347.459 2.978 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000588445065 1102543865 /nfs/dbraw/zinc/54/38/65/1102543865.db2.gz SANLXZZNUZKMAL-BHEFUSTPSA-N 1 0 329.400 2.695 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000588445207 1102545141 /nfs/dbraw/zinc/54/51/41/1102545141.db2.gz HDRMMMTYBLMIRF-UZFBZYOGSA-N 1 0 331.416 2.846 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445633 1102550747 /nfs/dbraw/zinc/55/07/47/1102550747.db2.gz ZNXPVFKYKFJHGP-BHEFUSTPSA-N 1 0 331.416 2.989 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445632 1102551685 /nfs/dbraw/zinc/55/16/85/1102551685.db2.gz ZNXPVFKYKFJHGP-AINHQSCGSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000075827132 1102575492 /nfs/dbraw/zinc/57/54/92/1102575492.db2.gz NHPVRVKQEOMBLL-LJQANCHMSA-N 1 0 341.411 2.625 10 5 EFBERO C[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660106546 1102603139 /nfs/dbraw/zinc/60/31/39/1102603139.db2.gz ICLGWOSCDRXHRL-CYBMUJFWSA-N 1 0 347.415 2.597 10 5 EFBERO Cc1cnccc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660125352 1102607903 /nfs/dbraw/zinc/60/79/03/1102607903.db2.gz CEOLPOPECAXGNU-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C1CC1)C1CC1 ZINC001266966216 1102805274 /nfs/dbraw/zinc/80/52/74/1102805274.db2.gz KDSFQCXVMRSVIO-UHFFFAOYSA-N 1 0 337.445 2.641 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cc[nH]c1 ZINC001660684845 1102927242 /nfs/dbraw/zinc/92/72/42/1102927242.db2.gz BKZVKFAPJCXMTK-UHFFFAOYSA-N 1 0 342.399 2.707 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001660682996 1102927312 /nfs/dbraw/zinc/92/73/12/1102927312.db2.gz NWUHJFPLWPREJU-MZMPZRCHSA-N 1 0 347.415 2.813 10 5 EFBERO CCNc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001126625159 1102990869 /nfs/dbraw/zinc/99/08/69/1102990869.db2.gz JLMPRMSOABQHMW-KGLIPLIRSA-N 1 0 334.420 2.629 10 5 EFBERO C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000905314591 1103041275 /nfs/dbraw/zinc/04/12/75/1103041275.db2.gz GFJBJDKNURRWSX-SNVBAGLBSA-N 1 0 334.351 2.811 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001661462675 1103271718 /nfs/dbraw/zinc/27/17/18/1103271718.db2.gz AKHZNFYNVBITFK-SHTZXODSSA-N 1 0 331.416 2.912 10 5 EFBERO Cc1coc(C)c1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001493535385 1103291114 /nfs/dbraw/zinc/29/11/14/1103291114.db2.gz VMDFEIGBFASZPI-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000905548159 1103345080 /nfs/dbraw/zinc/34/50/80/1103345080.db2.gz RKGISHXNRGDMPP-UHFFFAOYSA-N 1 0 334.445 2.852 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC001661649720 1103349811 /nfs/dbraw/zinc/34/98/11/1103349811.db2.gz LJIINRIDUMWBAM-TXEJJXNPSA-N 1 0 341.358 2.623 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CCCC[C@@]4(CC[NH2+]C4)C3)c21 ZINC000905679909 1103494096 /nfs/dbraw/zinc/49/40/96/1103494096.db2.gz ABNVTVVZMYRNQR-KRWDZBQOSA-N 1 0 327.388 2.508 10 5 EFBERO Cc1cnccc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483465583 1103762898 /nfs/dbraw/zinc/76/28/98/1103762898.db2.gz VMXJZFDFJVZGHX-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272012968 1103778289 /nfs/dbraw/zinc/77/82/89/1103778289.db2.gz DOLJSUDFDWREJF-IAGOWNOFSA-N 1 0 347.459 2.540 10 5 EFBERO CC(C)[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906014429 1103847109 /nfs/dbraw/zinc/84/71/09/1103847109.db2.gz XUBSJXIGIQMJCL-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CC(C)c1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001663240039 1104034469 /nfs/dbraw/zinc/03/44/69/1104034469.db2.gz ZILZBDUXTQTHGE-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C(\C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663359445 1104070807 /nfs/dbraw/zinc/07/08/07/1104070807.db2.gz OGAFWVXMVGDGEX-WYMLVPIESA-N 1 0 331.416 2.889 10 5 EFBERO CCN(CCNC(=O)C1(CF)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001663427165 1104091847 /nfs/dbraw/zinc/09/18/47/1104091847.db2.gz YJVSTDXOZVJKPN-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001663798014 1104215696 /nfs/dbraw/zinc/21/56/96/1104215696.db2.gz VOYWPRKEYOLQNB-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO CCC1(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001664129517 1104293525 /nfs/dbraw/zinc/29/35/25/1104293525.db2.gz IVDLTSIUDXEWIJ-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO CC[N@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000906555062 1104305572 /nfs/dbraw/zinc/30/55/72/1104305572.db2.gz SQOUSPJQTMFETQ-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO CC(C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCC1 ZINC001482595873 1104306475 /nfs/dbraw/zinc/30/64/75/1104306475.db2.gz YQDWUROQCIGFJY-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001664377992 1104370866 /nfs/dbraw/zinc/37/08/66/1104370866.db2.gz PPXGMQINCSEZJA-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO C[NH+](C)C1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906626213 1104406897 /nfs/dbraw/zinc/40/68/97/1104406897.db2.gz XBVGUSLGMFWHNG-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001670836027 1104601664 /nfs/dbraw/zinc/60/16/64/1104601664.db2.gz ATOMTHUSXHPDHH-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(CCCF)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001665939825 1104812009 /nfs/dbraw/zinc/81/20/09/1104812009.db2.gz HTTUKSZEVLJQII-UHFFFAOYSA-N 1 0 337.395 2.863 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001482978171 1105287779 /nfs/dbraw/zinc/28/77/79/1105287779.db2.gz GKRPTHSBBCEPHG-AATRIKPKSA-N 1 0 343.358 2.810 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001668684641 1105348223 /nfs/dbraw/zinc/34/82/23/1105348223.db2.gz IVUFWIBJUVZYCU-VOTSOKGWSA-N 1 0 331.416 2.937 10 5 EFBERO CCc1occc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483005055 1105519155 /nfs/dbraw/zinc/51/91/55/1105519155.db2.gz YPXYSFQOPURFRT-AATRIKPKSA-N 1 0 343.383 2.826 10 5 EFBERO COc1ccc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)cc1[N+](=O)[O-] ZINC000085936253 1105724339 /nfs/dbraw/zinc/72/43/39/1105724339.db2.gz HIGGPMYPHIHWKW-UHFFFAOYSA-N 1 0 347.415 2.532 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1(CCF)CC1 ZINC001673193498 1105982616 /nfs/dbraw/zinc/98/26/16/1105982616.db2.gz CCONQYPKYILBGP-UHFFFAOYSA-N 1 0 349.406 2.863 10 5 EFBERO CCOCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001675164182 1106310876 /nfs/dbraw/zinc/31/08/76/1106310876.db2.gz GKYCTNVKORBARZ-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO C[C@@H](c1ccccc1)N(CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001168308259 1106524358 /nfs/dbraw/zinc/52/43/58/1106524358.db2.gz GFCBOXGBAAFVSW-AWEZNQCLSA-N 1 0 343.383 2.589 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001676402010 1106525812 /nfs/dbraw/zinc/52/58/12/1106525812.db2.gz ISCVIGFDPYPJSX-LSDHHAIUSA-N 1 0 348.447 2.824 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]([N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001680699564 1108026560 /nfs/dbraw/zinc/02/65/60/1108026560.db2.gz JUACUNRPHAGEGV-JKSUJKDBSA-N 1 0 334.420 2.782 10 5 EFBERO CCO[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960772 1108294550 /nfs/dbraw/zinc/29/45/50/1108294550.db2.gz NEAROXUMPNVPBC-RHSMWYFYSA-N 1 0 335.448 2.874 10 5 EFBERO CC[NH+](CC)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905017032 1108327085 /nfs/dbraw/zinc/32/70/85/1108327085.db2.gz CHISLIZXYDYRGJ-UHFFFAOYSA-N 1 0 327.812 2.639 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001681658955 1108380906 /nfs/dbraw/zinc/38/09/06/1108380906.db2.gz OLUSCNIXBGWHSA-CQSZACIVSA-N 1 0 336.436 2.823 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(CCF)C2)cc1Cl ZINC000898502148 1108986886 /nfs/dbraw/zinc/98/68/86/1108986886.db2.gz AYLDPTLWOMSRKH-NSHDSACASA-N 1 0 343.786 2.720 10 5 EFBERO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898601097 1109027614 /nfs/dbraw/zinc/02/76/14/1109027614.db2.gz JFFMNSFHEZJZQT-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898823118 1109094671 /nfs/dbraw/zinc/09/46/71/1109094671.db2.gz KDAKQBJQHWAGKK-CABCVRRESA-N 1 0 331.416 2.814 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000898826102 1109099644 /nfs/dbraw/zinc/09/96/44/1109099644.db2.gz MXWBLOQOTZEPET-HZMVEIRTSA-N 1 0 343.427 2.687 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898832726 1109102191 /nfs/dbraw/zinc/10/21/91/1109102191.db2.gz YHDDSXOPZKPYQR-HZPDHXFCSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C12CCC2 ZINC000898847038 1109103554 /nfs/dbraw/zinc/10/35/54/1109103554.db2.gz XVUORRDUOFRKTD-HZPDHXFCSA-N 1 0 342.399 2.679 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000054171451 214222660 /nfs/dbraw/zinc/22/26/60/214222660.db2.gz FRGYBUJAMLIXBL-AWEZNQCLSA-N 1 0 331.416 2.990 10 5 EFBERO Cc1sc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055407473 214321115 /nfs/dbraw/zinc/32/11/15/214321115.db2.gz CVZMWEPEOKKGOU-WDEREUQCSA-N 1 0 325.434 2.815 10 5 EFBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246717755 283093539 /nfs/dbraw/zinc/09/35/39/283093539.db2.gz XJDIDEVFIJGYAJ-SMDDNHRTSA-N 1 0 337.807 2.805 10 5 EFBERO COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)[NH2+]CC2 ZINC000022405275 202084328 /nfs/dbraw/zinc/08/43/28/202084328.db2.gz WMWABYMCPRZGDX-INIZCTEOSA-N 1 0 344.367 2.878 10 5 EFBERO C[NH+](C)CCN1C(=O)c2c(O)ccc3cc4ccccc4c(c32)C1=O ZINC000027558155 202158047 /nfs/dbraw/zinc/15/80/47/202158047.db2.gz FWVFINSGMNAREF-UHFFFAOYSA-N 1 0 334.375 2.856 10 5 EFBERO C[C@@H]1[C@@H](O)CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003902 201348383 /nfs/dbraw/zinc/34/83/83/201348383.db2.gz LPIKVZGCOZOIDD-RNCFNFMXSA-N 1 0 329.194 2.703 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261785512 240325140 /nfs/dbraw/zinc/32/51/40/240325140.db2.gz PTDVZLINQHGMED-QGZVFWFLSA-N 1 0 327.384 2.750 10 5 EFBERO O=C(NCC[C@@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418354796 283961214 /nfs/dbraw/zinc/96/12/14/283961214.db2.gz WFZHBDWNCAGGEX-AWEZNQCLSA-N 1 0 346.431 2.659 10 5 EFBERO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000412039845 243089400 /nfs/dbraw/zinc/08/94/00/243089400.db2.gz QNCBCFARXLUUIC-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CNc1ccc(C[NH2+]CC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000069653344 203031845 /nfs/dbraw/zinc/03/18/45/203031845.db2.gz QLQCNJCRNIXFHA-HSZRJFAPSA-N 1 0 333.413 2.534 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000071885763 203137110 /nfs/dbraw/zinc/13/71/10/203137110.db2.gz FWKIKZFDKAQJMF-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO COCCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000071922336 203152907 /nfs/dbraw/zinc/15/29/07/203152907.db2.gz YBNIDDJDTBYJFO-UHFFFAOYSA-N 1 0 344.415 2.692 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000414586842 244243139 /nfs/dbraw/zinc/24/31/39/244243139.db2.gz UYFFJWJUFSUXBK-JQWIXIFHSA-N 1 0 330.331 2.837 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000414658119 244279228 /nfs/dbraw/zinc/27/92/28/244279228.db2.gz PVHCHLHERGFEIH-UHFFFAOYSA-N 1 0 336.392 2.777 10 5 EFBERO C[NH+](C)CCNc1ncccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000075146947 203308432 /nfs/dbraw/zinc/30/84/32/203308432.db2.gz YOTBVFGRXGBWFA-UHFFFAOYSA-N 1 0 333.367 2.715 10 5 EFBERO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000417127331 245035732 /nfs/dbraw/zinc/03/57/32/245035732.db2.gz GBAQEFCWWOWYMH-ILMGOGQSSA-N 1 0 332.404 2.580 10 5 EFBERO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000417127330 245036055 /nfs/dbraw/zinc/03/60/55/245036055.db2.gz GBAQEFCWWOWYMH-CLJRNHLWSA-N 1 0 332.404 2.580 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000105805668 204163292 /nfs/dbraw/zinc/16/32/92/204163292.db2.gz YXQQOGFDRQZCEI-UHFFFAOYSA-N 1 0 327.388 2.504 10 5 EFBERO CCn1cc(C[N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000105870142 204173542 /nfs/dbraw/zinc/17/35/42/204173542.db2.gz IGWHBNNCTGVDRI-UHFFFAOYSA-N 1 0 343.431 2.519 10 5 EFBERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000127554754 205107244 /nfs/dbraw/zinc/10/72/44/205107244.db2.gz KNFJRJXHEIXTDI-UONOGXRCSA-N 1 0 336.436 2.632 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246516514 205205649 /nfs/dbraw/zinc/20/56/49/205205649.db2.gz ULXOBNQEGRNHBK-YOEHRIQHSA-N 1 0 348.447 2.509 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247363443 205284173 /nfs/dbraw/zinc/28/41/73/205284173.db2.gz OSESNFCTVOMORX-IINYFYTJSA-N 1 0 325.796 2.707 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132731523 205338804 /nfs/dbraw/zinc/33/88/04/205338804.db2.gz UCAIVBHGPZBGSH-AWEZNQCLSA-N 1 0 348.447 2.999 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155478040 206009583 /nfs/dbraw/zinc/00/95/83/206009583.db2.gz DIAILHNCTWESFS-GWCFXTLKSA-N 1 0 325.796 2.707 10 5 EFBERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000422194307 246294402 /nfs/dbraw/zinc/29/44/02/246294402.db2.gz YQHMWZWZROQSBT-CVEARBPZSA-N 1 0 334.420 2.782 10 5 EFBERO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]2C1 ZINC000425332201 247046545 /nfs/dbraw/zinc/04/65/45/247046545.db2.gz CNXMEAGFTSYPML-DIXOFPBHSA-N 1 0 330.388 2.764 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425368017 247059380 /nfs/dbraw/zinc/05/93/80/247059380.db2.gz DBDPXYUAUKXVDW-KRWDZBQOSA-N 1 0 334.416 2.642 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000425397293 247069073 /nfs/dbraw/zinc/06/90/73/247069073.db2.gz LOVYULRACRBSGG-UHFFFAOYSA-N 1 0 340.221 2.637 10 5 EFBERO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000425443144 247089178 /nfs/dbraw/zinc/08/91/78/247089178.db2.gz KTEOXBOBLSKFKU-UHFFFAOYSA-N 1 0 329.194 2.562 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425541923 247126972 /nfs/dbraw/zinc/12/69/72/247126972.db2.gz NBPPQJUEYDYRIZ-QGZVFWFLSA-N 1 0 334.416 2.642 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249654828 206364247 /nfs/dbraw/zinc/36/42/47/206364247.db2.gz VAPDSYRMUPCGBL-SWLSCSKDSA-N 1 0 349.431 2.714 10 5 EFBERO O=C(C[NH2+][C@H]1CC2CCC1CC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433086079 248014021 /nfs/dbraw/zinc/01/40/21/248014021.db2.gz YWSQVWSCBBINIE-ZUEPYMLJSA-N 1 0 329.400 2.652 10 5 EFBERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000266515850 248340507 /nfs/dbraw/zinc/34/05/07/248340507.db2.gz AZSBLVYDBJHZPL-WQVCFCJDSA-N 1 0 348.403 2.527 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441214032 250008527 /nfs/dbraw/zinc/00/85/27/250008527.db2.gz WXDVBUXYAMLUCP-CABCVRRESA-N 1 0 347.415 2.590 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441282468 250014767 /nfs/dbraw/zinc/01/47/67/250014767.db2.gz VNDRZDDZZAGSQX-ILXRZTDVSA-N 1 0 347.415 2.670 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000444658304 250324067 /nfs/dbraw/zinc/32/40/67/250324067.db2.gz AVDKDRURJMWHJI-QWHCGFSZSA-N 1 0 330.388 2.720 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000444658302 250324096 /nfs/dbraw/zinc/32/40/96/250324096.db2.gz AVDKDRURJMWHJI-CHWSQXEVSA-N 1 0 330.388 2.720 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000348844540 284795207 /nfs/dbraw/zinc/79/52/07/284795207.db2.gz LFHGELZTPDUNMH-GFCCVEGCSA-N 1 0 325.434 2.533 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000174107651 206986591 /nfs/dbraw/zinc/98/65/91/206986591.db2.gz YDXCXGYSGXBXHX-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548374 296312263 /nfs/dbraw/zinc/31/22/63/296312263.db2.gz HGHLSTOKPVXFAU-BZUAXINKSA-N 1 0 335.452 2.739 10 5 EFBERO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000174855049 207065659 /nfs/dbraw/zinc/06/56/59/207065659.db2.gz HTZBLHFNNCNHQM-CQSZACIVSA-N 1 0 332.404 2.753 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000449494181 251044061 /nfs/dbraw/zinc/04/40/61/251044061.db2.gz MXTRXULWHCHTGZ-WBMJQRKESA-N 1 0 338.404 2.850 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000175012427 207082688 /nfs/dbraw/zinc/08/26/88/207082688.db2.gz CQYDMNWPGZHISQ-GXTWGEPZSA-N 1 0 342.399 2.775 10 5 EFBERO Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175143655 207097785 /nfs/dbraw/zinc/09/77/85/207097785.db2.gz MSKFPPQMUZCDPR-OAHLLOKOSA-N 1 0 329.360 2.796 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449664801 251104577 /nfs/dbraw/zinc/10/45/77/251104577.db2.gz BURDROUXXOPMPM-GSBHKFGHSA-N 1 0 330.306 2.853 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175438674 207128328 /nfs/dbraw/zinc/12/83/28/207128328.db2.gz ZBSBQTYCSPIYBE-DGCLKSJQSA-N 1 0 337.807 2.947 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000267629997 251207318 /nfs/dbraw/zinc/20/73/18/251207318.db2.gz GKUVEFSAVSOEPJ-IAGOWNOFSA-N 1 0 348.378 2.519 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450310608 251340244 /nfs/dbraw/zinc/34/02/44/251340244.db2.gz XNNDILFJBLGYMN-ZDUSSCGKSA-N 1 0 330.388 2.666 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699041 207252009 /nfs/dbraw/zinc/25/20/09/207252009.db2.gz XYGVWBQBZAUJCF-DLBZAZTESA-N 1 0 344.415 2.702 10 5 EFBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177313603 207319742 /nfs/dbraw/zinc/31/97/42/207319742.db2.gz GFBJPBFGFGUZDN-JJRVBVJISA-N 1 0 329.400 2.541 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000181552075 207957976 /nfs/dbraw/zinc/95/79/76/207957976.db2.gz SOSANCZCSMUZFD-CYBMUJFWSA-N 1 0 334.401 2.755 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112209032 285083259 /nfs/dbraw/zinc/08/32/59/285083259.db2.gz NUWMFULANRMEBW-LLVKDONJSA-N 1 0 326.194 2.642 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOCCO)c2ccccc2)c1 ZINC000180246485 285157032 /nfs/dbraw/zinc/15/70/32/285157032.db2.gz GYJCHAWXJFWFSO-SFHVURJKSA-N 1 0 330.384 2.673 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248462026 285164386 /nfs/dbraw/zinc/16/43/86/285164386.db2.gz PPXIOGPRNIJVAO-KBPBESRZSA-N 1 0 332.356 2.765 10 5 EFBERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717644 533355467 /nfs/dbraw/zinc/35/54/67/533355467.db2.gz PJIVFLOVHCGARQ-GUBZILKMSA-N 1 0 329.784 2.588 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261575691 296503053 /nfs/dbraw/zinc/50/30/53/296503053.db2.gz BPLDNPPRFHWJNX-ONGXEEELSA-N 1 0 326.194 2.546 10 5 EFBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322120817 141495191 /nfs/dbraw/zinc/49/51/91/141495191.db2.gz REZDYPXXRBKUDZ-FZMZJTMJSA-N 1 0 337.807 2.852 10 5 EFBERO COc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000344443029 142017711 /nfs/dbraw/zinc/01/77/11/142017711.db2.gz WZRUXJANRXVHBA-AWEZNQCLSA-N 1 0 342.399 2.882 10 5 EFBERO COc1cc(C[NH2+]CC2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000344618982 142050559 /nfs/dbraw/zinc/05/05/59/142050559.db2.gz HQVLFDPIHXVLCN-UHFFFAOYSA-N 1 0 338.404 2.907 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347451067 142219176 /nfs/dbraw/zinc/21/91/76/142219176.db2.gz PUEWDOAOSKCGBA-STQMWFEESA-N 1 0 329.404 2.635 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692525 142348467 /nfs/dbraw/zinc/34/84/67/142348467.db2.gz JTBXTZQHLNZAGD-BLLLJJGKSA-N 1 0 332.404 2.534 10 5 EFBERO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000342314338 145099091 /nfs/dbraw/zinc/09/90/91/145099091.db2.gz ZETKKUNHJICLHM-INIZCTEOSA-N 1 0 345.403 2.644 10 5 EFBERO COCC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353060380 146388164 /nfs/dbraw/zinc/38/81/64/146388164.db2.gz JTZIZIBEUQBNLX-CYBMUJFWSA-N 1 0 334.372 2.996 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355730846 147047659 /nfs/dbraw/zinc/04/76/59/147047659.db2.gz PKQIXOOWHFEIOA-STQMWFEESA-N 1 0 336.388 2.767 10 5 EFBERO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000357000895 147396594 /nfs/dbraw/zinc/39/65/94/147396594.db2.gz WTCQAXHDOUIIGA-OFQRWUPVSA-N 1 0 334.420 2.681 10 5 EFBERO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545298 148117893 /nfs/dbraw/zinc/11/78/93/148117893.db2.gz RWWPAOYXOTXHMF-SWLSCSKDSA-N 1 0 334.420 2.527 10 5 EFBERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570120 148126487 /nfs/dbraw/zinc/12/64/87/148126487.db2.gz ZJGSUERVGGBZTO-IAQYHMDHSA-N 1 0 346.387 2.750 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000359819538 148198253 /nfs/dbraw/zinc/19/82/53/148198253.db2.gz RTUGIXKUSBRBBJ-CQSZACIVSA-N 1 0 336.338 2.814 10 5 EFBERO CNc1c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361221459 148573714 /nfs/dbraw/zinc/57/37/14/148573714.db2.gz QZMLGLODLYTZOA-CQSZACIVSA-N 1 0 346.431 2.727 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000363874447 149025292 /nfs/dbraw/zinc/02/52/92/149025292.db2.gz JFPFKDXXXDYLFF-OAHLLOKOSA-N 1 0 346.431 2.718 10 5 EFBERO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364149591 149078358 /nfs/dbraw/zinc/07/83/58/149078358.db2.gz KVMPBQAUUCFXTO-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO CCOc1ccc(NC(=O)CN2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368091132 150033897 /nfs/dbraw/zinc/03/38/97/150033897.db2.gz VPCGJTGMYHALSG-IUODEOHRSA-N 1 0 333.388 2.806 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000368481885 150129613 /nfs/dbraw/zinc/12/96/13/150129613.db2.gz KAIAXLTWXWTKDC-HNNXBMFYSA-N 1 0 334.416 2.921 10 5 EFBERO CCN1C(=O)N=NC1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000378136504 152016665 /nfs/dbraw/zinc/01/66/65/152016665.db2.gz FJTFYZOXMULGLX-UHFFFAOYSA-N 1 0 345.403 2.600 10 5 EFBERO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000378365016 152067913 /nfs/dbraw/zinc/06/79/13/152067913.db2.gz SSOQVZXPSPFGTN-WBVHZDCISA-N 1 0 348.378 2.556 10 5 EFBERO C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178555 287360518 /nfs/dbraw/zinc/36/05/18/287360518.db2.gz LQLIHSYBGXDVMQ-NOZJJQNGSA-N 1 0 328.210 2.921 10 5 EFBERO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000193634374 265338253 /nfs/dbraw/zinc/33/82/53/265338253.db2.gz YUXRDDRKACHBCV-UHFFFAOYSA-N 1 0 348.447 2.882 10 5 EFBERO COc1c(C)cnc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000195000287 265398940 /nfs/dbraw/zinc/39/89/40/265398940.db2.gz VGMJBDOLDGOODK-UHFFFAOYSA-N 1 0 344.371 2.591 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272466484 266274211 /nfs/dbraw/zinc/27/42/11/266274211.db2.gz FCZFFZVLBJUQJX-GFCCVEGCSA-N 1 0 341.358 2.677 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000273346959 266485471 /nfs/dbraw/zinc/48/54/71/266485471.db2.gz XIYDDHKRQIHSEJ-FYWRMAATSA-N 1 0 331.416 2.941 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000276546059 267010305 /nfs/dbraw/zinc/01/03/05/267010305.db2.gz GTYUEHWEUZPIHA-SNVBAGLBSA-N 1 0 325.796 2.769 10 5 EFBERO COC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000277042960 267104397 /nfs/dbraw/zinc/10/43/97/267104397.db2.gz PIDOHMQDOAQMBN-BBRMVZONSA-N 1 0 347.415 2.610 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514579 267189292 /nfs/dbraw/zinc/18/92/92/267189292.db2.gz DXSDSDYZKWBKKP-GDBMZVCRSA-N 1 0 343.431 2.956 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000277677384 267232139 /nfs/dbraw/zinc/23/21/39/267232139.db2.gz YCQALBFPVABVBA-OAHLLOKOSA-N 1 0 347.415 2.694 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278355604 267412764 /nfs/dbraw/zinc/41/27/64/267412764.db2.gz PFYCLMYZLNQMKO-UHFFFAOYSA-N 1 0 327.812 2.970 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH+]4CCCCC4)CC3)nc2c1 ZINC000278496598 267458638 /nfs/dbraw/zinc/45/86/38/267458638.db2.gz QCJIGVXLAWYYOF-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178507958 273040453 /nfs/dbraw/zinc/04/04/53/273040453.db2.gz BNWKPBRXNJURHI-ZDUSSCGKSA-N 1 0 336.388 2.637 10 5 EFBERO COC[C@@H](O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039137 273043758 /nfs/dbraw/zinc/04/37/58/273043758.db2.gz RKLDRSKVUVNGJT-ZWKOTPCHSA-N 1 0 330.384 2.671 10 5 EFBERO COC[C@H](O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039120 273043800 /nfs/dbraw/zinc/04/38/00/273043800.db2.gz RKLDRSKVUVNGJT-QZTJIDSGSA-N 1 0 330.384 2.671 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194319369 273068453 /nfs/dbraw/zinc/06/84/53/273068453.db2.gz YYIRAUZEWNAUET-SNVBAGLBSA-N 1 0 326.784 2.854 10 5 EFBERO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CN1 ZINC000279523611 273224240 /nfs/dbraw/zinc/22/42/40/273224240.db2.gz YOBVOHGSRNUJKD-GOSISDBHSA-N 1 0 341.367 2.567 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000279799135 273254922 /nfs/dbraw/zinc/25/49/22/273254922.db2.gz YSHSXGYUBOCXRC-LLVKDONJSA-N 1 0 325.434 2.777 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC000280825159 273371074 /nfs/dbraw/zinc/37/10/74/273371074.db2.gz SCSTZMGNMJPUIV-ZDUSSCGKSA-N 1 0 347.371 2.706 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000280961276 273385847 /nfs/dbraw/zinc/38/58/47/273385847.db2.gz NINGTPNRVAWJPH-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO Cc1c[n+]([O-])c(NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000281031763 273393505 /nfs/dbraw/zinc/39/35/05/273393505.db2.gz UGTNMISKFOEJBL-UHFFFAOYSA-N 1 0 342.399 2.613 10 5 EFBERO CC[NH+](CC)C[C@@H]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360112531 273638417 /nfs/dbraw/zinc/63/84/17/273638417.db2.gz NDXFDCCXWHGTTI-ZDUSSCGKSA-N 1 0 335.404 2.550 10 5 EFBERO C[NH2+][C@H](C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261721559 273974116 /nfs/dbraw/zinc/97/41/16/273974116.db2.gz KGTNVUGHZWUALS-MRVPVSSYSA-N 1 0 339.193 2.925 10 5 EFBERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285449840 274001754 /nfs/dbraw/zinc/00/17/54/274001754.db2.gz ZLJWRVCBZFJCLS-MRVPVSSYSA-N 1 0 343.309 2.780 10 5 EFBERO CO[C@H](C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000354370246 274075061 /nfs/dbraw/zinc/07/50/61/274075061.db2.gz ZQAFTWZAUNTKON-GFCCVEGCSA-N 1 0 334.376 2.890 10 5 EFBERO CCCN(CC[NH+]1CCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286174610 274147440 /nfs/dbraw/zinc/14/74/40/274147440.db2.gz ABZBZOVAXICPFU-UHFFFAOYSA-N 1 0 345.403 2.556 10 5 EFBERO COC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000286309674 274174578 /nfs/dbraw/zinc/17/45/78/274174578.db2.gz KCRTURUOFJYDMU-UKRRQHHQSA-N 1 0 347.415 2.753 10 5 EFBERO COC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000286309678 274174604 /nfs/dbraw/zinc/17/46/04/274174604.db2.gz KCRTURUOFJYDMU-ZFWWWQNUSA-N 1 0 347.415 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000178974968 275035342 /nfs/dbraw/zinc/03/53/42/275035342.db2.gz FVDUEAZMGIWXAZ-CYBMUJFWSA-N 1 0 329.322 2.894 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000246353377 275035348 /nfs/dbraw/zinc/03/53/48/275035348.db2.gz FVDUEAZMGIWXAZ-ZDUSSCGKSA-N 1 0 329.322 2.894 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000097046785 275035603 /nfs/dbraw/zinc/03/56/03/275035603.db2.gz LHGUMWRQERGBPN-UHFFFAOYSA-N 1 0 341.411 2.799 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CF)CCOCC2)n1 ZINC000453306880 275040424 /nfs/dbraw/zinc/04/04/24/275040424.db2.gz JVBONAIURZNCEA-KGLIPLIRSA-N 1 0 340.399 2.631 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CC[NH2+]C1 ZINC000052093933 275041669 /nfs/dbraw/zinc/04/16/69/275041669.db2.gz CKKSQVQJKDCHAA-VIFPVBQESA-N 1 0 337.177 2.679 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000185689375 275399739 /nfs/dbraw/zinc/39/97/39/275399739.db2.gz NFICOYLFKKQGPE-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO CC1(C)C[C@H]([NH2+]CCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433132090 275867405 /nfs/dbraw/zinc/86/74/05/275867405.db2.gz BGHWQTQOSWJINR-INIZCTEOSA-N 1 0 331.416 2.919 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000172765217 276214037 /nfs/dbraw/zinc/21/40/37/276214037.db2.gz UVAQFIIYYQUUDL-IUODEOHRSA-N 1 0 346.431 2.646 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000408027662 277121178 /nfs/dbraw/zinc/12/11/78/277121178.db2.gz ORLDTUJZRFRGCL-CHWSQXEVSA-N 1 0 346.214 2.811 10 5 EFBERO CN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424327794 277135271 /nfs/dbraw/zinc/13/52/71/277135271.db2.gz OUCOLDVPVCOJBL-WBMJQRKESA-N 1 0 331.416 2.775 10 5 EFBERO C[NH2+][C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234482982 277300256 /nfs/dbraw/zinc/30/02/56/277300256.db2.gz NYCVXKNYDRGRGD-JTQLQIEISA-N 1 0 328.210 2.854 10 5 EFBERO COCC1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261600701 277484737 /nfs/dbraw/zinc/48/47/37/277484737.db2.gz BDVDLEWHEOQNNL-UHFFFAOYSA-N 1 0 330.388 2.571 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222518 278381918 /nfs/dbraw/zinc/38/19/18/278381918.db2.gz TZGWFMHOYKTARK-HIFRSBDPSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000353975707 278383531 /nfs/dbraw/zinc/38/35/31/278383531.db2.gz VMKMUFTWRTZXSK-ABAIWWIYSA-N 1 0 338.429 2.528 10 5 EFBERO Cc1c(Br)c(N2CCC[C@H](C)[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000228017312 278582528 /nfs/dbraw/zinc/58/25/28/278582528.db2.gz QKKKWVIWLKDAIV-WCBMZHEXSA-N 1 0 343.225 2.624 10 5 EFBERO Cc1c(CC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186302967 280224577 /nfs/dbraw/zinc/22/45/77/280224577.db2.gz ZKWRFWFXCVYUJO-AWEZNQCLSA-N 1 0 333.432 2.826 10 5 EFBERO Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506165 280571583 /nfs/dbraw/zinc/57/15/83/280571583.db2.gz YLMGNZCXKOFTNG-AWEZNQCLSA-N 1 0 341.289 2.955 10 5 EFBERO C[NH+](C)C[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000061655919 289211819 /nfs/dbraw/zinc/21/18/19/289211819.db2.gz RSLLOOOJVLHLAG-LLVKDONJSA-N 1 0 328.210 2.888 10 5 EFBERO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCCO1 ZINC000126016474 293024690 /nfs/dbraw/zinc/02/46/90/293024690.db2.gz FMSZKEBEXTUKEO-AWEZNQCLSA-N 1 0 332.360 2.646 10 5 EFBERO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000133859681 293270055 /nfs/dbraw/zinc/27/00/55/293270055.db2.gz XYPRFWLNBVCNSU-HNNXBMFYSA-N 1 0 343.383 2.636 10 5 EFBERO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249487 293367665 /nfs/dbraw/zinc/36/76/65/293367665.db2.gz DUUCRHPDYRYFLE-OKILXGFUSA-N 1 0 331.416 2.742 10 5 EFBERO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1 ZINC000153340103 293371418 /nfs/dbraw/zinc/37/14/18/293371418.db2.gz SUEKRFFYVRAVGT-UHFFFAOYSA-N 1 0 325.368 2.982 10 5 EFBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153624060 293384568 /nfs/dbraw/zinc/38/45/68/293384568.db2.gz BVWPEYOTYVHSCG-ZDUSSCGKSA-N 1 0 343.374 2.765 10 5 EFBERO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423988987 294070463 /nfs/dbraw/zinc/07/04/63/294070463.db2.gz AZZDEKHEZXQGTM-AWEZNQCLSA-N 1 0 331.397 2.751 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000291039241 294255657 /nfs/dbraw/zinc/25/56/57/294255657.db2.gz ARQPXJMOOXTTLA-HNNXBMFYSA-N 1 0 327.331 2.885 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000291272553 294331996 /nfs/dbraw/zinc/33/19/96/294331996.db2.gz LLVIRXRDMPOMPC-HNNXBMFYSA-N 1 0 328.315 2.852 10 5 EFBERO Cc1sc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293773348 295046413 /nfs/dbraw/zinc/04/64/13/295046413.db2.gz VKMDLJAJZXGQLS-NSHDSACASA-N 1 0 337.445 2.911 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294351715 295152125 /nfs/dbraw/zinc/15/21/25/295152125.db2.gz YMJGCXCMNZSEOV-LBKOFNPBSA-N 1 0 343.427 2.942 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593228 295191181 /nfs/dbraw/zinc/19/11/81/295191181.db2.gz CWOUWDARPDMZDV-BLLLJJGKSA-N 1 0 340.383 2.633 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295139917 295273465 /nfs/dbraw/zinc/27/34/65/295273465.db2.gz CAIKHPCMGONDJA-GWCFXTLKSA-N 1 0 332.360 2.863 10 5 EFBERO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107261948 302879732 /nfs/dbraw/zinc/87/97/32/302879732.db2.gz PHRRNXNURUEAEO-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000397248202 311959483 /nfs/dbraw/zinc/95/94/83/311959483.db2.gz ODXUOHLKZGNOOM-LBPRGKRZSA-N 1 0 329.194 2.872 10 5 EFBERO CCN1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000171050637 310741768 /nfs/dbraw/zinc/74/17/68/310741768.db2.gz GMOFGDBSHVHFJY-MRXNPFEDSA-N 1 0 343.431 2.569 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000298744575 311019555 /nfs/dbraw/zinc/01/95/55/311019555.db2.gz YTSTUODMSWGWJE-GFCCVEGCSA-N 1 0 332.404 2.766 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298754224 311020802 /nfs/dbraw/zinc/02/08/02/311020802.db2.gz PJNUVPRXQFRVPG-GFCCVEGCSA-N 1 0 331.372 2.945 10 5 EFBERO COc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299378576 311078649 /nfs/dbraw/zinc/07/86/49/311078649.db2.gz GHCSUGMVUXGNNT-ZFWWWQNUSA-N 1 0 346.383 2.694 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299609221 311102399 /nfs/dbraw/zinc/10/23/99/311102399.db2.gz IINMMQXJBVAPKQ-MRXNPFEDSA-N 1 0 339.395 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000299673697 311109866 /nfs/dbraw/zinc/10/98/66/311109866.db2.gz TXMVLPNRYOPESW-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000299686054 311111010 /nfs/dbraw/zinc/11/10/10/311111010.db2.gz XTTYDZOIRADLJB-CQSZACIVSA-N 1 0 333.413 2.997 10 5 EFBERO Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301232790 311125995 /nfs/dbraw/zinc/12/59/95/311125995.db2.gz KGFGIRDVGPGZDJ-AWEZNQCLSA-N 1 0 341.415 2.748 10 5 EFBERO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cn1 ZINC000301291957 311129483 /nfs/dbraw/zinc/12/94/83/311129483.db2.gz PQEXHXOMVQQNTJ-MRXNPFEDSA-N 1 0 340.387 2.591 10 5 EFBERO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cn1 ZINC000301296255 311129707 /nfs/dbraw/zinc/12/97/07/311129707.db2.gz RXAJTXIEKLTQNP-QGZVFWFLSA-N 1 0 340.387 2.591 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000301498536 311141016 /nfs/dbraw/zinc/14/10/16/311141016.db2.gz CKISYJVZOJIPRC-ZDUSSCGKSA-N 1 0 341.383 2.511 10 5 EFBERO COC(=O)c1cc(NCC[N@@H+]2CCCC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000301685700 311152254 /nfs/dbraw/zinc/15/22/54/311152254.db2.gz LMTZANZZBMQGBL-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO COC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301713807 311154301 /nfs/dbraw/zinc/15/43/01/311154301.db2.gz ZELAGBMTNYEQOG-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+](C)Cc1ccccc1 ZINC000302005954 311171765 /nfs/dbraw/zinc/17/17/65/311171765.db2.gz TWVYDOOWWVPZBB-CYBMUJFWSA-N 1 0 340.387 2.570 10 5 EFBERO CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302214369 311185297 /nfs/dbraw/zinc/18/52/97/311185297.db2.gz ZNIKMTUPNUMROF-CYBMUJFWSA-N 1 0 342.399 2.946 10 5 EFBERO COc1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)ccc1[N+](=O)[O-] ZINC000351089786 311851074 /nfs/dbraw/zinc/85/10/74/311851074.db2.gz OMLQNPXMCMMNDQ-UHFFFAOYSA-N 1 0 337.295 2.968 10 5 EFBERO C[C@@H]1CC[NH2+]C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923514 312063480 /nfs/dbraw/zinc/06/34/80/312063480.db2.gz HJCZWNORTHGCHA-IAQYHMDHSA-N 1 0 332.429 2.806 10 5 EFBERO C[C@H]1CC[NH2+]C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923520 312063506 /nfs/dbraw/zinc/06/35/06/312063506.db2.gz HJCZWNORTHGCHA-XHDPSFHLSA-N 1 0 332.429 2.806 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[NH2+]CCC2(F)F)o1 ZINC000415003893 312075556 /nfs/dbraw/zinc/07/55/56/312075556.db2.gz PNDVTLJYCBAVEE-HNNXBMFYSA-N 1 0 337.326 2.942 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415683618 312164839 /nfs/dbraw/zinc/16/48/39/312164839.db2.gz CCCNFVAKRJSJHK-TXEJJXNPSA-N 1 0 332.404 2.575 10 5 EFBERO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700892 312166304 /nfs/dbraw/zinc/16/63/04/312166304.db2.gz NIOPPSMUTPGQGF-QMMMGPOBSA-N 1 0 345.197 2.606 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417856955 312283295 /nfs/dbraw/zinc/28/32/95/312283295.db2.gz TVYGFOZWVAIMBR-YUELXQCFSA-N 1 0 332.404 2.500 10 5 EFBERO CN(C)C(=O)c1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000417909076 312293681 /nfs/dbraw/zinc/29/36/81/312293681.db2.gz HOYUHNVRAIZIHD-UHFFFAOYSA-N 1 0 327.384 2.629 10 5 EFBERO CN(C)C(=O)c1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000417947288 312300262 /nfs/dbraw/zinc/30/02/62/312300262.db2.gz GFFOBPQIMYEPKT-UHFFFAOYSA-N 1 0 327.384 2.629 10 5 EFBERO CCOc1ccc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423481890 312422219 /nfs/dbraw/zinc/42/22/19/312422219.db2.gz OQUSLWWJEVBTMY-QMTHXVAHSA-N 1 0 329.347 2.641 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423952325 312488171 /nfs/dbraw/zinc/48/81/71/312488171.db2.gz IPULVUYJRFBDIV-CZUORRHYSA-N 1 0 349.456 2.678 10 5 EFBERO CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423968137 312491110 /nfs/dbraw/zinc/49/11/10/312491110.db2.gz HVSUKNLMVMFGBT-HUUCEWRRSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424009391 312495414 /nfs/dbraw/zinc/49/54/14/312495414.db2.gz JBIRHMSLOIZDBH-DLBZAZTESA-N 1 0 343.358 2.609 10 5 EFBERO Cc1nn(C)c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000432940715 312587566 /nfs/dbraw/zinc/58/75/66/312587566.db2.gz WGCGQZMIWPFMKI-CYBMUJFWSA-N 1 0 331.376 2.766 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000433058325 312593856 /nfs/dbraw/zinc/59/38/56/312593856.db2.gz ALGVQTUGQQPUCM-ZUEPYMLJSA-N 1 0 338.429 2.537 10 5 EFBERO COC1([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000453197570 312878302 /nfs/dbraw/zinc/87/83/02/312878302.db2.gz NFQAPYGVDOLTCH-GFCCVEGCSA-N 1 0 342.823 2.964 10 5 EFBERO CNC(=O)C[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453389690 312896896 /nfs/dbraw/zinc/89/68/96/312896896.db2.gz XMEOQEKCAKAZCT-ACJLOTCBSA-N 1 0 327.384 2.798 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)n1 ZINC000456308114 313036526 /nfs/dbraw/zinc/03/65/26/313036526.db2.gz JDRUQAUOAIFJTB-AWEZNQCLSA-N 1 0 343.387 2.612 10 5 EFBERO CCC(=O)N[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182007 313130449 /nfs/dbraw/zinc/13/04/49/313130449.db2.gz IONKRDRUZIMCHE-DKGMDFAASA-N 1 0 331.416 2.989 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480564805 313281942 /nfs/dbraw/zinc/28/19/42/313281942.db2.gz SHQJZBSVTXHRRH-CQSZACIVSA-N 1 0 343.431 2.924 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186290 315660963 /nfs/dbraw/zinc/66/09/63/315660963.db2.gz ZMGMNNUZJBKUQR-QMTHXVAHSA-N 1 0 343.811 2.573 10 5 EFBERO COC(=O)c1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000531882068 317327417 /nfs/dbraw/zinc/32/74/17/317327417.db2.gz ZRHQFYYYSFQORK-CYBMUJFWSA-N 1 0 335.404 2.832 10 5 EFBERO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531884301 317327506 /nfs/dbraw/zinc/32/75/06/317327506.db2.gz IVVKPSYFNBZGGY-UHFFFAOYSA-N 1 0 334.420 2.574 10 5 EFBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000532143956 317361958 /nfs/dbraw/zinc/36/19/58/317361958.db2.gz IYSWHDJVTUDDCD-OAHLLOKOSA-N 1 0 348.790 2.676 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000532398667 317395892 /nfs/dbraw/zinc/39/58/92/317395892.db2.gz MUSUJNKUSWKNOH-UHFFFAOYSA-N 1 0 340.383 2.732 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000542972990 317835995 /nfs/dbraw/zinc/83/59/95/317835995.db2.gz JLELNJNGCCABNK-ZDUSSCGKSA-N 1 0 335.404 2.915 10 5 EFBERO CS[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000548691773 318133011 /nfs/dbraw/zinc/13/30/11/318133011.db2.gz PMFUIMLTVVWWCL-KGLIPLIRSA-N 1 0 336.461 2.623 10 5 EFBERO CSc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000556856692 318415711 /nfs/dbraw/zinc/41/57/11/318415711.db2.gz AWZQGEYGBCKKQG-OAHLLOKOSA-N 1 0 348.424 2.846 10 5 EFBERO CSc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000566642724 319097568 /nfs/dbraw/zinc/09/75/68/319097568.db2.gz YVSNFWDFMHDZRL-AWEZNQCLSA-N 1 0 348.424 2.846 10 5 EFBERO C[NH+](C)[C@]1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCSC1 ZINC000566675255 319101063 /nfs/dbraw/zinc/10/10/63/319101063.db2.gz ISILKGKCAMRNIA-INIZCTEOSA-N 1 0 336.461 2.718 10 5 EFBERO Cc1ccc(O)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000566760466 319108237 /nfs/dbraw/zinc/10/82/37/319108237.db2.gz OOHJSKGNOMQDPH-UHFFFAOYSA-N 1 0 326.356 2.817 10 5 EFBERO C[NH+](C)C1CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000567061348 319135093 /nfs/dbraw/zinc/13/50/93/319135093.db2.gz UODOKGIREIQBJD-UHFFFAOYSA-N 1 0 332.429 2.901 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000568636075 319304135 /nfs/dbraw/zinc/30/41/35/319304135.db2.gz YLFATZXILPVEDE-IEVHZMJVSA-N 1 0 336.432 2.746 10 5 EFBERO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569166853 319353785 /nfs/dbraw/zinc/35/37/85/319353785.db2.gz IQYJMMHQWYPASL-CYBMUJFWSA-N 1 0 346.431 2.855 10 5 EFBERO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000576946816 320063583 /nfs/dbraw/zinc/06/35/83/320063583.db2.gz CPWONOBVNDJJDK-UHFFFAOYSA-N 1 0 332.278 2.799 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000580312858 324139599 /nfs/dbraw/zinc/13/95/99/324139599.db2.gz JFLQTDRTUYGEBC-YFCVBGDOSA-N 1 0 325.372 2.584 10 5 EFBERO Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000580313561 324139719 /nfs/dbraw/zinc/13/97/19/324139719.db2.gz KKTYEIXPWHNREY-QGZVFWFLSA-N 1 0 325.368 2.602 10 5 EFBERO COCC1(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581131472 324311844 /nfs/dbraw/zinc/31/18/44/324311844.db2.gz RHCJAOPYCZAXSZ-CYBMUJFWSA-N 1 0 335.404 2.718 10 5 EFBERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000161265308 473221976 /nfs/dbraw/zinc/22/19/76/473221976.db2.gz JIWGXGRQFRLGGM-OAHLLOKOSA-N 1 0 329.404 2.894 10 5 EFBERO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000095986290 473243804 /nfs/dbraw/zinc/24/38/04/473243804.db2.gz HMZRGKHIUYOPBT-QIPPXTIRSA-N 1 0 340.445 2.773 10 5 EFBERO Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000190449973 473279279 /nfs/dbraw/zinc/27/92/79/473279279.db2.gz UCXHTYWPNDGFQD-INIZCTEOSA-N 1 0 341.415 2.652 10 5 EFBERO C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185156304 473346477 /nfs/dbraw/zinc/34/64/77/473346477.db2.gz CBYOYALJZYMNNR-LBPRGKRZSA-N 1 0 335.379 2.534 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162581096 473358545 /nfs/dbraw/zinc/35/85/45/473358545.db2.gz NGXHJTBKJFFFOA-UKRRQHHQSA-N 1 0 332.404 2.994 10 5 EFBERO CS(=O)(=O)CCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185210971 473364061 /nfs/dbraw/zinc/36/40/61/473364061.db2.gz ZWODKOYZLOQAFG-UHFFFAOYSA-N 1 0 334.825 2.553 10 5 EFBERO CSc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113232378 473371571 /nfs/dbraw/zinc/37/15/71/473371571.db2.gz NHQPFXCYQGTKGZ-WCQYABFASA-N 1 0 335.429 2.625 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000171430800 473385651 /nfs/dbraw/zinc/38/56/51/473385651.db2.gz YTJBLEODUUXDAR-INIZCTEOSA-N 1 0 348.447 2.999 10 5 EFBERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479643 478810627 /nfs/dbraw/zinc/81/06/27/478810627.db2.gz GGQZZLHYCJVADB-IUODEOHRSA-N 1 0 334.420 2.828 10 5 EFBERO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc1ccccc1c2=O ZINC000005455896 471506805 /nfs/dbraw/zinc/50/68/05/471506805.db2.gz OLDFECRHZVIEMS-CYBMUJFWSA-N 1 0 327.380 2.684 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000067447138 472034883 /nfs/dbraw/zinc/03/48/83/472034883.db2.gz YCBJANBVJPSOBJ-CQSZACIVSA-N 1 0 349.434 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(OCCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056494421 472328402 /nfs/dbraw/zinc/32/84/02/472328402.db2.gz KYJOINFKUGTGJK-UHFFFAOYSA-N 1 0 333.432 2.924 10 5 EFBERO COc1cc(CN2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384318 479982627 /nfs/dbraw/zinc/98/26/27/479982627.db2.gz WZFRKKDFPYSOIF-JTQLQIEISA-N 1 0 334.294 2.946 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000088721313 472380989 /nfs/dbraw/zinc/38/09/89/472380989.db2.gz YIDISKNDPULAPD-MRXNPFEDSA-N 1 0 332.448 2.510 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000154131245 472393254 /nfs/dbraw/zinc/39/32/54/472393254.db2.gz YRBWQLJXQLNJEL-QGZVFWFLSA-N 1 0 348.447 2.557 10 5 EFBERO COc1cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389450 479984774 /nfs/dbraw/zinc/98/47/74/479984774.db2.gz MSQXJWRIUYVIGU-XJKSGUPXSA-N 1 0 330.384 2.858 10 5 EFBERO CC[NH+]1CCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000076804069 472406237 /nfs/dbraw/zinc/40/62/37/472406237.db2.gz DYSYIABSUOKOLK-UHFFFAOYSA-N 1 0 341.415 2.744 10 5 EFBERO Cc1sc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000033089702 472495975 /nfs/dbraw/zinc/49/59/75/472495975.db2.gz GZXYNJNIASQCPK-UHFFFAOYSA-N 1 0 333.413 2.956 10 5 EFBERO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 ZINC000058093547 472505454 /nfs/dbraw/zinc/50/54/54/472505454.db2.gz IRNIUQZJZGBTPB-UHFFFAOYSA-N 1 0 344.367 2.707 10 5 EFBERO CC[NH+](CC)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000058158097 472508977 /nfs/dbraw/zinc/50/89/77/472508977.db2.gz BUFAOTRFRKTAQV-UHFFFAOYSA-N 1 0 345.403 2.694 10 5 EFBERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000071193059 472544766 /nfs/dbraw/zinc/54/47/66/472544766.db2.gz BTKWWJKKIIBTHF-JTQLQIEISA-N 1 0 328.210 2.745 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155525332 472562744 /nfs/dbraw/zinc/56/27/44/472562744.db2.gz RXUXPRRYEHLRSW-GJZGRUSLSA-N 1 0 349.431 2.517 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637826 472585601 /nfs/dbraw/zinc/58/56/01/472585601.db2.gz JPSLZLVVYKNWSN-LBPRGKRZSA-N 1 0 332.404 2.782 10 5 EFBERO C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046704039 472587409 /nfs/dbraw/zinc/58/74/09/472587409.db2.gz JEKDSWPRWYNBCJ-INIZCTEOSA-N 1 0 334.347 2.606 10 5 EFBERO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886428 472599854 /nfs/dbraw/zinc/59/98/54/472599854.db2.gz VTUYVCDTEIVEHN-IQIBNGDESA-N 1 0 347.390 2.834 10 5 EFBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1cccc(F)c1 ZINC000090551473 472632808 /nfs/dbraw/zinc/63/28/08/472632808.db2.gz BXTLMBXDNJNSJL-UGSOOPFHSA-N 1 0 345.374 2.979 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047039032 472647511 /nfs/dbraw/zinc/64/75/11/472647511.db2.gz RLWZDPFNOIUPEX-OKILXGFUSA-N 1 0 348.447 2.786 10 5 EFBERO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000104097226 472656875 /nfs/dbraw/zinc/65/68/75/472656875.db2.gz JJIDRIXCRMATSZ-XZVRFQMRSA-N 1 0 329.400 2.695 10 5 EFBERO CC(C)CN(CC[NH+](C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104529882 472675825 /nfs/dbraw/zinc/67/58/25/472675825.db2.gz AYHQLMQKGLAXQJ-UHFFFAOYSA-N 1 0 332.404 2.736 10 5 EFBERO CCC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680539 472681706 /nfs/dbraw/zinc/68/17/06/472681706.db2.gz XECLQTNIBXQEOE-OAHLLOKOSA-N 1 0 349.431 2.873 10 5 EFBERO COC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104689631 472684914 /nfs/dbraw/zinc/68/49/14/472684914.db2.gz BZYOAMOHFKXXHY-CYBMUJFWSA-N 1 0 336.388 2.767 10 5 EFBERO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000078307347 472693043 /nfs/dbraw/zinc/69/30/43/472693043.db2.gz SRKBLSCGCGJEGK-OAHLLOKOSA-N 1 0 341.415 2.612 10 5 EFBERO CN1CCC(CNc2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000091484730 472773847 /nfs/dbraw/zinc/77/38/47/472773847.db2.gz PDYBSJLAKXNKBW-UHFFFAOYSA-N 1 0 332.448 2.957 10 5 EFBERO CN(c1cccnn1)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105807521 472779969 /nfs/dbraw/zinc/77/99/69/472779969.db2.gz SPGAWOJZROSBCE-UHFFFAOYSA-N 1 0 345.378 2.625 10 5 EFBERO Cc1sc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000063665470 472798432 /nfs/dbraw/zinc/79/84/32/472798432.db2.gz DGGZKQTWIVMBKN-NSHDSACASA-N 1 0 325.434 2.959 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134607098 472937207 /nfs/dbraw/zinc/93/72/07/472937207.db2.gz LFSRDTVAVMFGEW-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000079928525 472943564 /nfs/dbraw/zinc/94/35/64/472943564.db2.gz DCYGYEDZXVVNQM-UHFFFAOYSA-N 1 0 341.415 2.744 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134685490 472952678 /nfs/dbraw/zinc/95/26/78/472952678.db2.gz OJFUDLBLAQQPEY-ZDUSSCGKSA-N 1 0 327.812 2.954 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000092657961 472954557 /nfs/dbraw/zinc/95/45/57/472954557.db2.gz RSIUIXAQTRAMGS-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012926 472961088 /nfs/dbraw/zinc/96/10/88/472961088.db2.gz BITFXYOAUFUVQO-DZGCQCFKSA-N 1 0 336.436 2.931 10 5 EFBERO O=[N+]([O-])c1cccnc1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000065590895 472983845 /nfs/dbraw/zinc/98/38/45/472983845.db2.gz SHFDPZSXNDQVAR-UHFFFAOYSA-N 1 0 342.399 2.938 10 5 EFBERO CNc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000092810389 472988933 /nfs/dbraw/zinc/98/89/33/472988933.db2.gz DSLAEOMXMUJNCD-UHFFFAOYSA-N 1 0 329.404 2.750 10 5 EFBERO O=[N+]([O-])c1ccc(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000159190400 473007254 /nfs/dbraw/zinc/00/72/54/473007254.db2.gz SVVIBPNIUZGWJC-INIZCTEOSA-N 1 0 345.424 2.501 10 5 EFBERO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000122432146 473014209 /nfs/dbraw/zinc/01/42/09/473014209.db2.gz KHFHUTYEALLTNS-UHFFFAOYSA-N 1 0 339.823 2.959 10 5 EFBERO Cc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147169 473052728 /nfs/dbraw/zinc/05/27/28/473052728.db2.gz LLXIDVWDZOVVTE-SFHVURJKSA-N 1 0 346.475 2.505 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000080635281 473060661 /nfs/dbraw/zinc/06/06/61/473060661.db2.gz PTEUKCVXLJKDTM-QGZVFWFLSA-N 1 0 332.448 2.510 10 5 EFBERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902440 473098171 /nfs/dbraw/zinc/09/81/71/473098171.db2.gz UJWNXXPXGVGMND-UGSOOPFHSA-N 1 0 349.431 2.700 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123151800 473104301 /nfs/dbraw/zinc/10/43/01/473104301.db2.gz BUXVFZHZXSBZBH-VXGBXAGGSA-N 1 0 336.392 2.550 10 5 EFBERO COCC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080948228 473108850 /nfs/dbraw/zinc/10/88/50/473108850.db2.gz VEPBOZYBNPNTRC-UHFFFAOYSA-N 1 0 347.337 2.772 10 5 EFBERO O=[N+]([O-])c1cnccc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081033746 473134535 /nfs/dbraw/zinc/13/45/35/473134535.db2.gz YBDTVFHCOGNUHF-UHFFFAOYSA-N 1 0 334.420 2.684 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123464269 473143141 /nfs/dbraw/zinc/14/31/41/473143141.db2.gz APKLWHRINAJVCI-GXFFZTMASA-N 1 0 325.796 2.803 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000110437511 473157701 /nfs/dbraw/zinc/15/77/01/473157701.db2.gz HVDRDARQPDDDDV-UHFFFAOYSA-N 1 0 334.420 2.684 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160752272 473170953 /nfs/dbraw/zinc/17/09/53/473170953.db2.gz JURNTKDXBWKOMS-CRAIPNDOSA-N 1 0 334.416 2.991 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000081364205 473191882 /nfs/dbraw/zinc/19/18/82/473191882.db2.gz ZQJXNLNBJZCHCO-ZDUSSCGKSA-N 1 0 344.415 2.880 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123852874 473192387 /nfs/dbraw/zinc/19/23/87/473192387.db2.gz LKIUJNGLRQGUNA-VXGBXAGGSA-N 1 0 337.445 2.871 10 5 EFBERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050245 473192616 /nfs/dbraw/zinc/19/26/16/473192616.db2.gz XQQGMZHNAXQTKC-IRXDYDNUSA-N 1 0 344.415 2.724 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000123908763 473196494 /nfs/dbraw/zinc/19/64/94/473196494.db2.gz GXAMGJQTYLDLJG-UHFFFAOYSA-N 1 0 327.384 2.895 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000161050165 473201716 /nfs/dbraw/zinc/20/17/16/473201716.db2.gz MCXZZCRLIXQAHN-ZDUSSCGKSA-N 1 0 346.387 2.750 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185356449 473404119 /nfs/dbraw/zinc/40/41/19/473404119.db2.gz ZKYNOCWEIFRPJF-CQSZACIVSA-N 1 0 337.420 2.571 10 5 EFBERO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C[NH+](C)C)c1 ZINC000113912519 473422937 /nfs/dbraw/zinc/42/29/37/473422937.db2.gz KNWKXEWRGJPTJZ-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO COCCN1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282932 473429330 /nfs/dbraw/zinc/42/93/30/473429330.db2.gz MGBMMFWEVIRUEZ-ROUUACIJSA-N 1 0 347.459 2.616 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000185647864 473477002 /nfs/dbraw/zinc/47/70/02/473477002.db2.gz DMXVJFJWGODVAT-ZLIFDBKOSA-N 1 0 328.368 2.783 10 5 EFBERO CCOc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000185887201 473540222 /nfs/dbraw/zinc/54/02/22/473540222.db2.gz ZIRGHMNIKUGMJI-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000127207344 473587638 /nfs/dbraw/zinc/58/76/38/473587638.db2.gz HIXDTIUUNHOEPB-KOLCDFICSA-N 1 0 328.210 2.921 10 5 EFBERO CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153544062 473629322 /nfs/dbraw/zinc/62/93/22/473629322.db2.gz QLUKLXHXVHBLOW-CYBMUJFWSA-N 1 0 343.374 2.635 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000127602172 473630856 /nfs/dbraw/zinc/63/08/56/473630856.db2.gz QZJWRLYIOSVLNR-WMLDXEAASA-N 1 0 348.447 2.728 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154013491 473659885 /nfs/dbraw/zinc/65/98/85/473659885.db2.gz JWPTUXIFZVSREZ-SFHVURJKSA-N 1 0 342.395 2.701 10 5 EFBERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000154061445 473663518 /nfs/dbraw/zinc/66/35/18/473663518.db2.gz JONUWZSOYHIITG-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154071578 473665015 /nfs/dbraw/zinc/66/50/15/473665015.db2.gz DZXBSQVOVDWEEG-GOSISDBHSA-N 1 0 342.395 2.701 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172866376 473695230 /nfs/dbraw/zinc/69/52/30/473695230.db2.gz LMZZURHKYVZTQV-NWDGAFQWSA-N 1 0 349.412 2.654 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192869750 473741496 /nfs/dbraw/zinc/74/14/96/473741496.db2.gz OVFXCHZGWICQNU-SNVBAGLBSA-N 1 0 335.385 2.954 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192983979 473755940 /nfs/dbraw/zinc/75/59/40/473755940.db2.gz HUHIMDVDZKNTAN-CZUORRHYSA-N 1 0 341.415 2.731 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000193053043 473767926 /nfs/dbraw/zinc/76/79/26/473767926.db2.gz FZLWRBWETHUBSZ-UHFFFAOYSA-N 1 0 334.420 2.683 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246102727 473782790 /nfs/dbraw/zinc/78/27/90/473782790.db2.gz JIVZOBBLRKUKOZ-UKRRQHHQSA-N 1 0 331.416 2.829 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246177409 473794434 /nfs/dbraw/zinc/79/44/34/473794434.db2.gz MLDXQJONWFSBLY-YOEHRIQHSA-N 1 0 333.432 2.716 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000246283061 473815685 /nfs/dbraw/zinc/81/56/85/473815685.db2.gz NWEOYSZXZJXPEG-UKRRQHHQSA-N 1 0 333.413 2.964 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180199215 473825503 /nfs/dbraw/zinc/82/55/03/473825503.db2.gz VAHUFRZDWCEOSD-RDJZCZTQSA-N 1 0 325.368 2.770 10 5 EFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246351129 473836172 /nfs/dbraw/zinc/83/61/72/473836172.db2.gz WBLDEQAKNZKCRJ-IAGOWNOFSA-N 1 0 344.415 2.816 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246512965 473886856 /nfs/dbraw/zinc/88/68/56/473886856.db2.gz GTZBFYKVRRLKSY-OLZOCXBDSA-N 1 0 337.807 2.947 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000246676618 473932353 /nfs/dbraw/zinc/93/23/53/473932353.db2.gz ZBSBQTYCSPIYBE-AAEUAGOBSA-N 1 0 337.807 2.947 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000194783867 473953026 /nfs/dbraw/zinc/95/30/26/473953026.db2.gz GORGKVCCVXIBON-CABCVRRESA-N 1 0 331.416 2.991 10 5 EFBERO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000188060644 473967187 /nfs/dbraw/zinc/96/71/87/473967187.db2.gz KEHKAMLYVUJTIL-CABCVRRESA-N 1 0 348.424 2.873 10 5 EFBERO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000174026657 473975182 /nfs/dbraw/zinc/97/51/82/473975182.db2.gz GRHBUMOGTVSTNA-UHFFFAOYSA-N 1 0 341.433 2.617 10 5 EFBERO CSc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000188097383 473980987 /nfs/dbraw/zinc/98/09/87/473980987.db2.gz GMMINVQYKFLEPZ-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000174103673 473986745 /nfs/dbraw/zinc/98/67/45/473986745.db2.gz PWERKDNUZFDBGU-UHFFFAOYSA-N 1 0 348.447 2.635 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288943638 474097577 /nfs/dbraw/zinc/09/75/77/474097577.db2.gz RTDJMNTWHOWLTG-MRXNPFEDSA-N 1 0 343.431 2.830 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247399981 474138231 /nfs/dbraw/zinc/13/82/31/474138231.db2.gz RAAWDAGIYVCTRE-YCPHGPKFSA-N 1 0 348.447 2.992 10 5 EFBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000188726738 474176805 /nfs/dbraw/zinc/17/68/05/474176805.db2.gz GWOFSXUCNBJERP-UHFFFAOYSA-N 1 0 331.759 2.781 10 5 EFBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000182569291 474208800 /nfs/dbraw/zinc/20/88/00/474208800.db2.gz MYNFLWNNPHPMNA-SNVBAGLBSA-N 1 0 339.193 2.905 10 5 EFBERO C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413779 474260421 /nfs/dbraw/zinc/26/04/21/474260421.db2.gz AMHQBLUIMOGWTJ-SJCJKPOMSA-N 1 0 337.395 2.985 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248387996 474301919 /nfs/dbraw/zinc/30/19/19/474301919.db2.gz CPMRYXDGXUZTRU-AEFFLSMTSA-N 1 0 345.443 2.860 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000183022459 474308073 /nfs/dbraw/zinc/30/80/73/474308073.db2.gz QXMIKNQWHDNEQZ-SECBINFHSA-N 1 0 327.793 2.822 10 5 EFBERO COCC[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000275864904 474345419 /nfs/dbraw/zinc/34/54/19/474345419.db2.gz NFKSFZPNOSHNHY-UHFFFAOYSA-N 1 0 349.431 2.513 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248557252 474357816 /nfs/dbraw/zinc/35/78/16/474357816.db2.gz ILCGXBIGOGJFMM-NFAWXSAZSA-N 1 0 349.406 2.923 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289659411 474364386 /nfs/dbraw/zinc/36/43/86/474364386.db2.gz UGHFKTJXCMFBNU-KRWDZBQOSA-N 1 0 337.395 2.766 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000248598163 474372337 /nfs/dbraw/zinc/37/23/37/474372337.db2.gz INBGFUDPARHABL-GPMSIDNRSA-N 1 0 347.459 2.977 10 5 EFBERO O=[N+]([O-])c1c(Nc2cnn(-c3cc[nH+]cc3)c2)nc2sccn21 ZINC000608909547 480104700 /nfs/dbraw/zinc/10/47/00/480104700.db2.gz WGYYVHPTTSQMPH-UHFFFAOYSA-N 1 0 327.329 2.628 10 5 EFBERO CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000266699969 474453185 /nfs/dbraw/zinc/45/31/85/474453185.db2.gz XQKCFZKTAWPGJQ-UHFFFAOYSA-N 1 0 332.385 2.751 10 5 EFBERO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000189691623 474463741 /nfs/dbraw/zinc/46/37/41/474463741.db2.gz XQTREPKBFHNOEC-UHFFFAOYSA-N 1 0 349.431 2.762 10 5 EFBERO CSc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000249131824 474534777 /nfs/dbraw/zinc/53/47/77/474534777.db2.gz LZNBQBRWBRGJMM-RYUDHWBXSA-N 1 0 335.429 2.625 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249138025 474536369 /nfs/dbraw/zinc/53/63/69/474536369.db2.gz VTQDDVNPIHWRLH-ZIAGYGMSSA-N 1 0 332.404 2.912 10 5 EFBERO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154102 474603776 /nfs/dbraw/zinc/60/37/76/474603776.db2.gz DCASNMLVAQUDOQ-GTNSWQLSSA-N 1 0 334.347 2.954 10 5 EFBERO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000250213757 474631146 /nfs/dbraw/zinc/63/11/46/474631146.db2.gz QRLVCMVMFCCILG-INIZCTEOSA-N 1 0 339.399 2.645 10 5 EFBERO CC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251668002 474642792 /nfs/dbraw/zinc/64/27/92/474642792.db2.gz HIXDTIUUNHOEPB-GXSJLCMTSA-N 1 0 328.210 2.921 10 5 EFBERO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000251707637 474644429 /nfs/dbraw/zinc/64/44/29/474644429.db2.gz JGFOBGYYBXNSJT-TVQRCGJNSA-N 1 0 328.210 2.744 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251783697 474646441 /nfs/dbraw/zinc/64/64/41/474646441.db2.gz LMVOSVWAAZUQKY-CJNGLKHVSA-N 1 0 335.404 2.589 10 5 EFBERO CC[C@@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000267326989 474648433 /nfs/dbraw/zinc/64/84/33/474648433.db2.gz FFCZCLVKMSUDHY-QGZVFWFLSA-N 1 0 346.431 2.926 10 5 EFBERO Cc1ccnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000284491088 474650416 /nfs/dbraw/zinc/65/04/16/474650416.db2.gz BALQADXQTDKBOM-XJKSGUPXSA-N 1 0 344.419 2.527 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337177411 474759553 /nfs/dbraw/zinc/75/95/53/474759553.db2.gz OWJOTBUBHCLTKU-LSDHHAIUSA-N 1 0 347.415 2.672 10 5 EFBERO CO[C@@H]1CC[C@@H]2OCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000255335964 474838206 /nfs/dbraw/zinc/83/82/06/474838206.db2.gz HJLCFGJDDBMYIK-NGLKPISBSA-N 1 0 332.400 2.876 10 5 EFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000312688609 474851015 /nfs/dbraw/zinc/85/10/15/474851015.db2.gz MEXNULQAMSBJJI-HZMBPMFUSA-N 1 0 340.221 2.923 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273347744 474853113 /nfs/dbraw/zinc/85/31/13/474853113.db2.gz BZFAJTBXRQNMEA-UHFFFAOYSA-N 1 0 338.383 2.977 10 5 EFBERO Cc1cnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC000285031107 474869503 /nfs/dbraw/zinc/86/95/03/474869503.db2.gz VMXGBGLAUTVMKW-XJKSGUPXSA-N 1 0 344.419 2.527 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285065618 474879560 /nfs/dbraw/zinc/87/95/60/474879560.db2.gz OWIUTEKMDQPQKW-UONOGXRCSA-N 1 0 345.321 2.523 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000273456504 474907842 /nfs/dbraw/zinc/90/78/42/474907842.db2.gz UXGFGSCZAPMPPL-PLTUTCJHSA-N 1 0 329.400 2.597 10 5 EFBERO C[C@@H]1[C@@H](C)CN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000293305121 474917049 /nfs/dbraw/zinc/91/70/49/474917049.db2.gz FCSHJOPFFQWQGW-WDEREUQCSA-N 1 0 346.412 2.997 10 5 EFBERO C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305108 474917954 /nfs/dbraw/zinc/91/79/54/474917954.db2.gz FCSHJOPFFQWQGW-MNOVXSKESA-N 1 0 346.412 2.997 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062850 474933414 /nfs/dbraw/zinc/93/34/14/474933414.db2.gz QHACWVISJYAAKD-GJZGRUSLSA-N 1 0 349.431 2.743 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124718 475001331 /nfs/dbraw/zinc/00/13/31/475001331.db2.gz OVBVJHMXSSAXPD-GJZGRUSLSA-N 1 0 348.447 2.699 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328303868 475028774 /nfs/dbraw/zinc/02/87/74/475028774.db2.gz CIPSQHGMSKDJRL-CYBMUJFWSA-N 1 0 325.368 2.681 10 5 EFBERO CS[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273941692 475128426 /nfs/dbraw/zinc/12/84/26/475128426.db2.gz DEEFOPXRXISDGP-SJORKVTESA-N 1 0 335.473 2.649 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000609348203 480151371 /nfs/dbraw/zinc/15/13/71/480151371.db2.gz OETCKMFRSJHAAW-HNNXBMFYSA-N 1 0 346.431 2.727 10 5 EFBERO COc1ccc(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000609346809 480151437 /nfs/dbraw/zinc/15/14/37/480151437.db2.gz PMHPPEVQBPDFTC-ZIAGYGMSSA-N 1 0 349.431 2.525 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000361201138 475265939 /nfs/dbraw/zinc/26/59/39/475265939.db2.gz NHJPENXUCDIYJK-NVXWUHKLSA-N 1 0 333.432 2.716 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000361278310 475322794 /nfs/dbraw/zinc/32/27/94/475322794.db2.gz LHWRIAYPCCXFBI-LBPRGKRZSA-N 1 0 342.399 2.903 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000352546388 475401059 /nfs/dbraw/zinc/40/10/59/475401059.db2.gz ULBISUOEZANTPT-CYBMUJFWSA-N 1 0 336.388 2.767 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2COCCO2)c2ccccc2)c1 ZINC000352567488 475419042 /nfs/dbraw/zinc/41/90/42/475419042.db2.gz LITOSQMGHRPUMF-MSOLQXFVSA-N 1 0 328.368 2.689 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2COCCO2)c2ccccc2)c1 ZINC000352567490 475419165 /nfs/dbraw/zinc/41/91/65/475419165.db2.gz LITOSQMGHRPUMF-ROUUACIJSA-N 1 0 328.368 2.689 10 5 EFBERO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358126310 475420562 /nfs/dbraw/zinc/42/05/62/475420562.db2.gz GMAYWVLAGDBGPQ-AWEZNQCLSA-N 1 0 349.406 2.707 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000348188264 475470168 /nfs/dbraw/zinc/47/01/68/475470168.db2.gz RPFUTXQWQCOGKC-UHFFFAOYSA-N 1 0 337.383 2.833 10 5 EFBERO COc1cc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000361468579 475472279 /nfs/dbraw/zinc/47/22/79/475472279.db2.gz HKGJORSHGJSVFN-INIZCTEOSA-N 1 0 343.383 2.652 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000358192286 475475178 /nfs/dbraw/zinc/47/51/78/475475178.db2.gz PLKNFPXGPJMKJL-AWEZNQCLSA-N 1 0 332.404 2.607 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCCC[C@H]3CCO)o2)cc1 ZINC000342063838 475542296 /nfs/dbraw/zinc/54/22/96/475542296.db2.gz PAWHQGJTKQRIBR-AWEZNQCLSA-N 1 0 346.387 2.772 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000338066832 475560610 /nfs/dbraw/zinc/56/06/10/475560610.db2.gz OITBFIRAQHBSNO-GFCCVEGCSA-N 1 0 330.388 2.538 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339990121 475666556 /nfs/dbraw/zinc/66/65/56/475666556.db2.gz XCZGPYZSVDWYJT-JTQLQIEISA-N 1 0 345.321 2.828 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087687 475748121 /nfs/dbraw/zinc/74/81/21/475748121.db2.gz BRLCGZNTXRPMFT-HUUCEWRRSA-N 1 0 348.447 2.699 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+]CCc3cn[nH]c3)o2)c([N+](=O)[O-])c1 ZINC000353183001 475751338 /nfs/dbraw/zinc/75/13/38/475751338.db2.gz ADBJODRPNCNFDH-UHFFFAOYSA-N 1 0 342.355 2.919 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cn[nH]c3)cs2)c1 ZINC000353184836 475751532 /nfs/dbraw/zinc/75/15/32/475751532.db2.gz CAGSNYFDGRKLIN-UHFFFAOYSA-N 1 0 329.385 2.774 10 5 EFBERO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000340095573 475756153 /nfs/dbraw/zinc/75/61/53/475756153.db2.gz NATBARDQEWZFPN-UHFFFAOYSA-N 1 0 345.321 2.780 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CCC2=CCCC2)cc1[N+](=O)[O-] ZINC000353232858 475789661 /nfs/dbraw/zinc/78/96/61/475789661.db2.gz DXDZPZMLYSVVJB-UHFFFAOYSA-N 1 0 334.372 2.737 10 5 EFBERO O=[N+]([O-])c1cnccc1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000340153308 475805916 /nfs/dbraw/zinc/80/59/16/475805916.db2.gz SNVMTDFWKCDWPJ-UHFFFAOYSA-N 1 0 344.440 2.747 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000347006122 476026097 /nfs/dbraw/zinc/02/60/97/476026097.db2.gz FIUPRHUTILGPAA-LBPRGKRZSA-N 1 0 335.429 2.625 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347016706 476037199 /nfs/dbraw/zinc/03/71/99/476037199.db2.gz SSCIGTUXQCGNEY-CQSZACIVSA-N 1 0 329.356 2.650 10 5 EFBERO Cc1c(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000358916897 476038057 /nfs/dbraw/zinc/03/80/57/476038057.db2.gz UJTVBCZTHMFGFU-MQVJKMGUSA-N 1 0 346.431 2.718 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000334074063 476105821 /nfs/dbraw/zinc/10/58/21/476105821.db2.gz GWZJSCATXFRQLL-XJKSGUPXSA-N 1 0 348.447 2.775 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(Cn3cnc4c3CCCC4)n2)s1 ZINC000350253078 476107849 /nfs/dbraw/zinc/10/78/49/476107849.db2.gz QCFYOHYLUKDQMC-UHFFFAOYSA-N 1 0 331.357 2.830 10 5 EFBERO COc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000338680802 476108181 /nfs/dbraw/zinc/10/81/81/476108181.db2.gz GSIMNLZJMWSOKH-INIZCTEOSA-N 1 0 349.431 2.685 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3cc[nH]c3n2)n1 ZINC000353623697 476133300 /nfs/dbraw/zinc/13/33/00/476133300.db2.gz CBKZPLIWNHXCFG-GJZGRUSLSA-N 1 0 340.387 2.941 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3cc[nH]c3n2)n1 ZINC000353623700 476133466 /nfs/dbraw/zinc/13/34/66/476133466.db2.gz CBKZPLIWNHXCFG-HUUCEWRRSA-N 1 0 340.387 2.941 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000353626058 476135262 /nfs/dbraw/zinc/13/52/62/476135262.db2.gz PIHAOMNXSVJVRU-UHFFFAOYSA-N 1 0 335.404 2.517 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000353652718 476158756 /nfs/dbraw/zinc/15/87/56/476158756.db2.gz FXOZIUPOSCVQFR-UHFFFAOYSA-N 1 0 335.404 2.517 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340660239 476186499 /nfs/dbraw/zinc/18/64/99/476186499.db2.gz IVMAFYNPKOVCAQ-UONOGXRCSA-N 1 0 333.432 2.814 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000302167928 476191588 /nfs/dbraw/zinc/19/15/88/476191588.db2.gz SKDQZCBNZXTKMT-OAHLLOKOSA-N 1 0 327.388 2.851 10 5 EFBERO CC(C)[NH+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000362391507 476216193 /nfs/dbraw/zinc/21/61/93/476216193.db2.gz XFONEJJBNMOQHI-UHFFFAOYSA-N 1 0 343.374 2.651 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362455717 476264250 /nfs/dbraw/zinc/26/42/50/476264250.db2.gz SWRFIHNZZOXZSK-WMLDXEAASA-N 1 0 347.415 2.733 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000362760952 476392553 /nfs/dbraw/zinc/39/25/53/476392553.db2.gz YTYWLWPFFCAKSR-GOSISDBHSA-N 1 0 327.384 2.903 10 5 EFBERO C[C@]1(CNc2ccncc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000361006343 476538110 /nfs/dbraw/zinc/53/81/10/476538110.db2.gz CZAIHVFXTDYGSA-GOSISDBHSA-N 1 0 326.400 2.878 10 5 EFBERO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451869077 476689915 /nfs/dbraw/zinc/68/99/15/476689915.db2.gz FRJUCLLAOQLJTK-ZDUSSCGKSA-N 1 0 345.365 2.953 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354501897 476690377 /nfs/dbraw/zinc/69/03/77/476690377.db2.gz PHHLKWCECAEJNU-OAHLLOKOSA-N 1 0 331.416 2.829 10 5 EFBERO CCOc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000456693978 476694873 /nfs/dbraw/zinc/69/48/73/476694873.db2.gz HCKVOCOTLYRLAX-UHFFFAOYSA-N 1 0 347.415 2.740 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429829732 476698412 /nfs/dbraw/zinc/69/84/12/476698412.db2.gz OJSUMAPEEAERFR-CQSZACIVSA-N 1 0 333.432 2.863 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430274913 476800290 /nfs/dbraw/zinc/80/02/90/476800290.db2.gz FXOYEKWNFWXUGU-DGCLKSJQSA-N 1 0 333.388 2.828 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452074699 476806978 /nfs/dbraw/zinc/80/69/78/476806978.db2.gz CGZMHZXXAZMAFC-ZDUSSCGKSA-N 1 0 346.387 2.893 10 5 EFBERO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000452079016 476809916 /nfs/dbraw/zinc/80/99/16/476809916.db2.gz HEPHJPJUFBXRRY-CQSZACIVSA-N 1 0 335.404 2.590 10 5 EFBERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000452090290 476815419 /nfs/dbraw/zinc/81/54/19/476815419.db2.gz QOARVPPXHVDNOX-HOCLYGCPSA-N 1 0 330.384 2.994 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[NH+]1CCCC1 ZINC000446096445 476827283 /nfs/dbraw/zinc/82/72/83/476827283.db2.gz VMGGNVKFPWZFTG-UHFFFAOYSA-N 1 0 325.796 2.724 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000446097739 476827305 /nfs/dbraw/zinc/82/73/05/476827305.db2.gz BDSHHVPYGJVDOJ-LLVKDONJSA-N 1 0 325.796 2.628 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465259 476852370 /nfs/dbraw/zinc/85/23/70/476852370.db2.gz MVOVNFOKUQTKEU-CYBMUJFWSA-N 1 0 344.371 2.853 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946880 476895211 /nfs/dbraw/zinc/89/52/11/476895211.db2.gz UTIKCZPXVUTQPV-MLGOLLRUSA-N 1 0 345.399 2.951 10 5 EFBERO COc1cccc([C@H](CNc2ncc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000401222210 476897683 /nfs/dbraw/zinc/89/76/83/476897683.db2.gz YJBGBUXSVVIABO-HNNXBMFYSA-N 1 0 334.351 2.852 10 5 EFBERO Cc1cc(NC(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000415411664 476921089 /nfs/dbraw/zinc/92/10/89/476921089.db2.gz BLAMAHDOGJVCNP-UHFFFAOYSA-N 1 0 342.399 2.939 10 5 EFBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415434769 476927226 /nfs/dbraw/zinc/92/72/26/476927226.db2.gz HYIUDSONOSPLNC-LDYMZIIASA-N 1 0 346.309 2.733 10 5 EFBERO COc1cc(CNC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000366279781 476939505 /nfs/dbraw/zinc/93/95/05/476939505.db2.gz HTVRLONBYPESEI-UHFFFAOYSA-N 1 0 349.431 2.719 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000370701906 476941052 /nfs/dbraw/zinc/94/10/52/476941052.db2.gz PUNABWJYZAPWEJ-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000423233057 476970387 /nfs/dbraw/zinc/97/03/87/476970387.db2.gz NRLAEOUPZJDNFT-CYBMUJFWSA-N 1 0 327.388 2.573 10 5 EFBERO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423238526 476971770 /nfs/dbraw/zinc/97/17/70/476971770.db2.gz VLAHGDMCUUEJLD-ZDUSSCGKSA-N 1 0 327.388 2.573 10 5 EFBERO COCC[NH2+]CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423329344 476995745 /nfs/dbraw/zinc/99/57/45/476995745.db2.gz LHQUDDLUCYMYKT-GOSISDBHSA-N 1 0 329.400 2.510 10 5 EFBERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000371218632 477182598 /nfs/dbraw/zinc/18/25/98/477182598.db2.gz GTGZGJQPFQUVNF-UHFFFAOYSA-N 1 0 325.368 2.575 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238477 477194004 /nfs/dbraw/zinc/19/40/04/477194004.db2.gz XCRGTSSLEYVEMH-WBVHZDCISA-N 1 0 331.416 2.518 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239370 477195421 /nfs/dbraw/zinc/19/54/21/477195421.db2.gz UCSKRAWVGRGRFJ-JSGCOSHPSA-N 1 0 346.408 2.817 10 5 EFBERO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453377983 477217270 /nfs/dbraw/zinc/21/72/70/477217270.db2.gz WCICFBZJHZMLMO-RYRKJORJSA-N 1 0 339.395 2.928 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423938454 477224653 /nfs/dbraw/zinc/22/46/53/477224653.db2.gz IERYRGIRWQVTCW-IAQYHMDHSA-N 1 0 337.807 2.852 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411416479 477227356 /nfs/dbraw/zinc/22/73/56/477227356.db2.gz ORLYFQOVZKTDDL-XOKHGSTOSA-N 1 0 331.416 2.689 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423987482 477247703 /nfs/dbraw/zinc/24/77/03/477247703.db2.gz YTUBHEASJVQEDC-NVXWUHKLSA-N 1 0 331.416 2.518 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453611957 477250967 /nfs/dbraw/zinc/25/09/67/477250967.db2.gz MKJLTCOWNNJHIP-ZDUSSCGKSA-N 1 0 328.372 2.723 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC12CCC2 ZINC000411638481 477305220 /nfs/dbraw/zinc/30/52/20/477305220.db2.gz HLRKFUBNCWPGBR-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO O=C(C[NH2+][C@H]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433060556 477307593 /nfs/dbraw/zinc/30/75/93/477307593.db2.gz YXWKYPDIRGGXFY-ZUEPYMLJSA-N 1 0 329.400 2.652 10 5 EFBERO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC23CC3)c1 ZINC000424185552 477319988 /nfs/dbraw/zinc/31/99/88/477319988.db2.gz PVUMRZNGKIXHGS-NSHDSACASA-N 1 0 344.152 2.842 10 5 EFBERO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000371528345 477372778 /nfs/dbraw/zinc/37/27/78/477372778.db2.gz LCHOWKGOEIPVOA-JKSUJKDBSA-N 1 0 343.358 2.562 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454792049 477379344 /nfs/dbraw/zinc/37/93/44/477379344.db2.gz SRLRXFZOOMNROY-AWEZNQCLSA-N 1 0 332.404 2.607 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411846651 477392440 /nfs/dbraw/zinc/39/24/40/477392440.db2.gz LVZIRWFWANOLLU-KRWDZBQOSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411969023 477399396 /nfs/dbraw/zinc/39/93/96/477399396.db2.gz PKZBSKBXLRWSRB-LIRRHRJNSA-N 1 0 339.395 2.785 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411969022 477400176 /nfs/dbraw/zinc/40/01/76/477400176.db2.gz PKZBSKBXLRWSRB-KUHUBIRLSA-N 1 0 339.395 2.785 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])cc1OC ZINC000367438527 477509656 /nfs/dbraw/zinc/50/96/56/477509656.db2.gz NNBLQFFTJXZMOT-KRWDZBQOSA-N 1 0 336.388 2.615 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371865049 477532305 /nfs/dbraw/zinc/53/23/05/477532305.db2.gz RCMJFUBTHGAKTL-AEFFLSMTSA-N 1 0 344.415 2.725 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000371899693 477547630 /nfs/dbraw/zinc/54/76/30/477547630.db2.gz QJXYYWQEGHYTFQ-UHFFFAOYSA-N 1 0 341.415 2.821 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413276022 477603966 /nfs/dbraw/zinc/60/39/66/477603966.db2.gz VTUMMSDQLZGDDR-AWEZNQCLSA-N 1 0 332.404 2.648 10 5 EFBERO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450809671 477725249 /nfs/dbraw/zinc/72/52/49/477725249.db2.gz KYZIMOMWPPBCST-OAHLLOKOSA-N 1 0 326.400 2.948 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000450861370 477739623 /nfs/dbraw/zinc/73/96/23/477739623.db2.gz PWROSBHQIISNPH-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO CCc1cc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 ZINC000450884737 477749979 /nfs/dbraw/zinc/74/99/79/477749979.db2.gz STTUFCBRFHLMQH-UHFFFAOYSA-N 1 0 333.392 2.611 10 5 EFBERO CCOC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000450977073 477780805 /nfs/dbraw/zinc/78/08/05/477780805.db2.gz SUIFKJQVAVWARD-UHFFFAOYSA-N 1 0 343.383 2.841 10 5 EFBERO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000427977924 477798095 /nfs/dbraw/zinc/79/80/95/477798095.db2.gz ADJLMTRCURMNFH-INIZCTEOSA-N 1 0 325.372 2.608 10 5 EFBERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438483196 477849161 /nfs/dbraw/zinc/84/91/61/477849161.db2.gz CURNXMZLOYGCMK-CHWSQXEVSA-N 1 0 335.404 2.908 10 5 EFBERO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000428388228 477884448 /nfs/dbraw/zinc/88/44/48/477884448.db2.gz VZGLHGOGTXSDIY-KRWDZBQOSA-N 1 0 344.367 2.820 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000451220380 477885933 /nfs/dbraw/zinc/88/59/33/477885933.db2.gz VOXQKZKCUZQQAV-CQSZACIVSA-N 1 0 349.431 2.717 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459409570 477893029 /nfs/dbraw/zinc/89/30/29/477893029.db2.gz YTPYMHAEMOBFNV-QGZVFWFLSA-N 1 0 338.411 2.622 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451261929 477916820 /nfs/dbraw/zinc/91/68/20/477916820.db2.gz KEUKRXULGLSCPR-MOPGFXCFSA-N 1 0 344.386 2.937 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000439113825 477931364 /nfs/dbraw/zinc/93/13/64/477931364.db2.gz ANDWAYFDVDUMHF-CYBMUJFWSA-N 1 0 332.404 2.648 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864422 477937120 /nfs/dbraw/zinc/93/71/20/477937120.db2.gz UMKNEGCLNTYVST-LBPRGKRZSA-N 1 0 343.330 2.545 10 5 EFBERO C[C@@]12CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000428727703 477968773 /nfs/dbraw/zinc/96/87/73/477968773.db2.gz CUOFECJEKQDGIU-DZGCQCFKSA-N 1 0 339.342 2.901 10 5 EFBERO CCNC(=O)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000459613664 478009855 /nfs/dbraw/zinc/00/98/55/478009855.db2.gz VSFOYKWCKUPTRC-UHFFFAOYSA-N 1 0 345.424 2.891 10 5 EFBERO Cn1cnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656647 478025983 /nfs/dbraw/zinc/02/59/83/478025983.db2.gz GZRRTVNAYQEFLW-YOEHRIQHSA-N 1 0 328.416 2.872 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000494648771 478033540 /nfs/dbraw/zinc/03/35/40/478033540.db2.gz PXODKNCGKHOVFW-LBPRGKRZSA-N 1 0 349.412 2.535 10 5 EFBERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000421371863 478059626 /nfs/dbraw/zinc/05/96/26/478059626.db2.gz DBBVDLGJCHMUDQ-ZDUSSCGKSA-N 1 0 345.424 2.891 10 5 EFBERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421393241 478069404 /nfs/dbraw/zinc/06/94/04/478069404.db2.gz VZKBHZCLMZKYSK-DUVNUKRYSA-N 1 0 335.404 2.859 10 5 EFBERO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548837 478084882 /nfs/dbraw/zinc/08/48/82/478084882.db2.gz OPPHXQHVMXRLAL-INIZCTEOSA-N 1 0 331.416 2.643 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000560590669 478114054 /nfs/dbraw/zinc/11/40/54/478114054.db2.gz DXGJQPUFZQMQDM-MRXNPFEDSA-N 1 0 347.415 2.611 10 5 EFBERO COc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000440466675 478119757 /nfs/dbraw/zinc/11/97/57/478119757.db2.gz GDQPRTGWPHKOES-LJQANCHMSA-N 1 0 342.395 2.917 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(CCO)CCCCC3)o2)cc1 ZINC000440905756 478174538 /nfs/dbraw/zinc/17/45/38/478174538.db2.gz RCNRQJUDTXXTNZ-UHFFFAOYSA-N 1 0 346.387 2.820 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)OCCO2 ZINC000600190459 478272256 /nfs/dbraw/zinc/27/22/56/478272256.db2.gz PGNGFWCDMKNIIY-OLZOCXBDSA-N 1 0 336.413 2.836 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594229553 478287212 /nfs/dbraw/zinc/28/72/12/478287212.db2.gz FQMGCSPXHZHWII-NFAWXSAZSA-N 1 0 334.420 2.604 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000600228375 478298977 /nfs/dbraw/zinc/29/89/77/478298977.db2.gz KOLRIUFVCHJATN-AWEZNQCLSA-N 1 0 347.415 2.740 10 5 EFBERO Cc1c(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600228491 478299586 /nfs/dbraw/zinc/29/95/86/478299586.db2.gz BTWKMUBMRRXTSG-QGZVFWFLSA-N 1 0 345.443 2.969 10 5 EFBERO COc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230346 478300295 /nfs/dbraw/zinc/30/02/95/478300295.db2.gz RFCCPNDMVRDGGX-AWEZNQCLSA-N 1 0 347.415 2.740 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229990 478300825 /nfs/dbraw/zinc/30/08/25/478300825.db2.gz MSLYPRCYVLEYHU-OAHLLOKOSA-N 1 0 347.415 2.740 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229870 478301586 /nfs/dbraw/zinc/30/15/86/478301586.db2.gz WIAHCBFZIZZZPE-OAHLLOKOSA-N 1 0 347.415 2.740 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594256229 478306134 /nfs/dbraw/zinc/30/61/34/478306134.db2.gz NNVIDLHUNWFJGF-WOVMCDHWSA-N 1 0 348.447 2.855 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000594258467 478308373 /nfs/dbraw/zinc/30/83/73/478308373.db2.gz OXGDZJVIBKTIOE-KDYLLFBJSA-N 1 0 346.431 2.609 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000521395245 478374748 /nfs/dbraw/zinc/37/47/48/478374748.db2.gz GWYHBJXIACDEIA-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1C ZINC000600469873 478382138 /nfs/dbraw/zinc/38/21/38/478382138.db2.gz LTRBFSBREAUZAS-OAHLLOKOSA-N 1 0 347.415 2.659 10 5 EFBERO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000590928052 478402478 /nfs/dbraw/zinc/40/24/78/478402478.db2.gz OZRKNBQAZPHNFC-ZBFHGGJFSA-N 1 0 334.420 2.782 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506538 478417668 /nfs/dbraw/zinc/41/76/68/478417668.db2.gz BDHMDUXAWQZCBC-JKSUJKDBSA-N 1 0 339.395 2.948 10 5 EFBERO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511661 478418668 /nfs/dbraw/zinc/41/86/68/478418668.db2.gz GGBIMTYLWOMRCX-VWLVSRPKSA-N 1 0 333.432 2.695 10 5 EFBERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000581775395 478440848 /nfs/dbraw/zinc/44/08/48/478440848.db2.gz NFEKJXREPHTZAL-UHFFFAOYSA-N 1 0 339.395 2.659 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000594571832 478444107 /nfs/dbraw/zinc/44/41/07/478444107.db2.gz ACEMHYLGFNZFME-DZGCQCFKSA-N 1 0 337.445 2.619 10 5 EFBERO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000594583222 478449538 /nfs/dbraw/zinc/44/95/38/478449538.db2.gz CEGOVYQXMGXYGR-ZDUSSCGKSA-N 1 0 329.278 2.834 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000597662822 478453530 /nfs/dbraw/zinc/45/35/30/478453530.db2.gz ADYBQZDZSMEKGU-UHFFFAOYSA-N 1 0 342.399 2.634 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597698183 478469503 /nfs/dbraw/zinc/46/95/03/478469503.db2.gz GSDPTQDAWFKHTO-JQWIXIFHSA-N 1 0 325.796 2.721 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597698182 478470121 /nfs/dbraw/zinc/47/01/21/478470121.db2.gz GSDPTQDAWFKHTO-CMPLNLGQSA-N 1 0 325.796 2.721 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000600741610 478499737 /nfs/dbraw/zinc/49/97/37/478499737.db2.gz FTAAHPLRPLEWSH-HZMBPMFUSA-N 1 0 347.337 2.705 10 5 EFBERO [NH3+]C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000600740514 478500210 /nfs/dbraw/zinc/50/02/10/478500210.db2.gz YOWWLTHWZSLUCY-FZMZJTMJSA-N 1 0 347.337 2.575 10 5 EFBERO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000540908277 478506110 /nfs/dbraw/zinc/50/61/10/478506110.db2.gz BGVWJRMLLHBACR-CQSZACIVSA-N 1 0 330.384 2.986 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600757326 478506879 /nfs/dbraw/zinc/50/68/79/478506879.db2.gz SFZFFSLDNFYDRQ-VNQPRFMTSA-N 1 0 334.397 2.542 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000600771440 478512823 /nfs/dbraw/zinc/51/28/23/478512823.db2.gz FUPNEWVKZYTFSP-IYBDPMFKSA-N 1 0 341.358 2.628 10 5 EFBERO C[C@@]1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594733006 478519270 /nfs/dbraw/zinc/51/92/70/478519270.db2.gz OVKBNXGYDKSAPY-CQSZACIVSA-N 1 0 327.331 2.948 10 5 EFBERO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145722 478520780 /nfs/dbraw/zinc/52/07/80/478520780.db2.gz SDDJHVZEVPZTKF-KZULUSFZSA-N 1 0 328.416 2.691 10 5 EFBERO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000491360958 478524059 /nfs/dbraw/zinc/52/40/59/478524059.db2.gz OLLJOWSZENJPPB-UHFFFAOYSA-N 1 0 337.383 2.567 10 5 EFBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)c1 ZINC000600791018 478524008 /nfs/dbraw/zinc/52/40/08/478524008.db2.gz CWQSNVJGIBDMFZ-OAHLLOKOSA-N 1 0 326.396 2.949 10 5 EFBERO COc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571176547 478538465 /nfs/dbraw/zinc/53/84/65/478538465.db2.gz XBOXMDOOOGWSEF-OAHLLOKOSA-N 1 0 344.415 2.963 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597853967 478540762 /nfs/dbraw/zinc/54/07/62/478540762.db2.gz FPBSRCGOAJYVAQ-LBPRGKRZSA-N 1 0 344.415 2.926 10 5 EFBERO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856846 478541693 /nfs/dbraw/zinc/54/16/93/478541693.db2.gz BFUINLXGWMESLG-WCQYABFASA-N 1 0 337.395 2.826 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597858892 478543743 /nfs/dbraw/zinc/54/37/43/478543743.db2.gz PWHPNOUNGQHNTF-CYBMUJFWSA-N 1 0 337.445 2.676 10 5 EFBERO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859034 478543930 /nfs/dbraw/zinc/54/39/30/478543930.db2.gz QGAWVKXYLZMEBX-LLVKDONJSA-N 1 0 337.445 2.919 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597859696 478545876 /nfs/dbraw/zinc/54/58/76/478545876.db2.gz FUAQATMSUDXXGV-OWCLPIDISA-N 1 0 331.416 2.687 10 5 EFBERO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597861290 478547880 /nfs/dbraw/zinc/54/78/80/478547880.db2.gz SHVURVWNFDESLU-AWEZNQCLSA-N 1 0 349.431 2.985 10 5 EFBERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000597861744 478548758 /nfs/dbraw/zinc/54/87/58/478548758.db2.gz WRFCQAUKRPNVIW-CYBMUJFWSA-N 1 0 335.404 2.514 10 5 EFBERO COC(=O)c1c(Cl)c(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000591593483 478589347 /nfs/dbraw/zinc/58/93/47/478589347.db2.gz KAZUTXSTBQHBKR-UHFFFAOYSA-N 1 0 327.768 2.541 10 5 EFBERO CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597947169 478590534 /nfs/dbraw/zinc/59/05/34/478590534.db2.gz UQYNJUACXPDSGZ-GXTWGEPZSA-N 1 0 337.445 2.628 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000597947591 478592203 /nfs/dbraw/zinc/59/22/03/478592203.db2.gz ZLKLSDLSMFNMEQ-AWEZNQCLSA-N 1 0 335.404 2.548 10 5 EFBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945288 478599095 /nfs/dbraw/zinc/59/90/95/478599095.db2.gz XUZQJXATOUXEFM-ZWKOPEQDSA-N 1 0 326.780 2.578 10 5 EFBERO CC(=O)NCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000594950113 478600206 /nfs/dbraw/zinc/60/02/06/478600206.db2.gz ILLRIXWZOAIVJA-UHFFFAOYSA-N 1 0 327.384 2.829 10 5 EFBERO CC(=O)NCc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594950872 478601692 /nfs/dbraw/zinc/60/16/92/478601692.db2.gz JXCDIMOWKYTZNC-UHFFFAOYSA-N 1 0 327.384 2.829 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C3CCC3)cs2)c1 ZINC000594957926 478604398 /nfs/dbraw/zinc/60/43/98/478604398.db2.gz XDQMGOXIPOTSBN-HNNXBMFYSA-N 1 0 333.413 2.969 10 5 EFBERO O=C(N1CC[NH+](CC2CC2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601002023 478608480 /nfs/dbraw/zinc/60/84/80/478608480.db2.gz HFVWROBWGXQQBE-UHFFFAOYSA-N 1 0 343.427 2.571 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594967548 478609536 /nfs/dbraw/zinc/60/95/36/478609536.db2.gz VGHLKYSPGRIHND-GUIAOEAHSA-N 1 0 334.416 2.764 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979996 478616966 /nfs/dbraw/zinc/61/69/66/478616966.db2.gz OJOVFQKUYFFCLV-DYVFJYSZSA-N 1 0 332.379 2.968 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000594992141 478620487 /nfs/dbraw/zinc/62/04/87/478620487.db2.gz PLYXUYVRVMBTTD-ZDUSSCGKSA-N 1 0 330.331 2.993 10 5 EFBERO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601030965 478622236 /nfs/dbraw/zinc/62/22/36/478622236.db2.gz AZUYMFKYZLBWCR-QGZVFWFLSA-N 1 0 343.427 2.713 10 5 EFBERO COc1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000594999697 478623755 /nfs/dbraw/zinc/62/37/55/478623755.db2.gz GVHREVFCMZPBRD-UHFFFAOYSA-N 1 0 330.331 2.633 10 5 EFBERO COc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998014 478624184 /nfs/dbraw/zinc/62/41/84/478624184.db2.gz DVEZWKPJYBABDU-QGZVFWFLSA-N 1 0 341.411 2.968 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000542048345 478626065 /nfs/dbraw/zinc/62/60/65/478626065.db2.gz XPVVFWQTMWFBNE-ZDUSSCGKSA-N 1 0 335.404 2.550 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000595008557 478626962 /nfs/dbraw/zinc/62/69/62/478626962.db2.gz VIQKRGYQVKODCJ-CYBMUJFWSA-N 1 0 349.431 2.901 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000595009846 478628042 /nfs/dbraw/zinc/62/80/42/478628042.db2.gz TWRYVFPCCBTVTB-CYBMUJFWSA-N 1 0 342.395 2.784 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000595011741 478628129 /nfs/dbraw/zinc/62/81/29/478628129.db2.gz MEFZJZINSOXVKM-BBRMVZONSA-N 1 0 330.384 2.858 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000598041273 478629260 /nfs/dbraw/zinc/62/92/60/478629260.db2.gz KUCMRUMHCDVJHX-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595038083 478637161 /nfs/dbraw/zinc/63/71/61/478637161.db2.gz GIXCHHFGPWBYOW-XQQFMLRXSA-N 1 0 336.388 2.986 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000571622398 478637763 /nfs/dbraw/zinc/63/77/63/478637763.db2.gz BZPUOCQIOKSESB-MLGOLLRUSA-N 1 0 331.416 2.892 10 5 EFBERO COC1CC(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595047850 478639931 /nfs/dbraw/zinc/63/99/31/478639931.db2.gz GFNOBASHIMUBTI-FUJMWEONSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000595052795 478642948 /nfs/dbraw/zinc/64/29/48/478642948.db2.gz AFXTWSBMZPQTSW-CJNGLKHVSA-N 1 0 348.447 2.774 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000595052796 478644368 /nfs/dbraw/zinc/64/43/68/478644368.db2.gz AFXTWSBMZPQTSW-CZUORRHYSA-N 1 0 348.447 2.774 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595061137 478646497 /nfs/dbraw/zinc/64/64/97/478646497.db2.gz PPTCXMRZLPTIFX-NOCIGQNYSA-N 1 0 348.443 2.947 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CC1(F)F ZINC000595079048 478652300 /nfs/dbraw/zinc/65/23/00/478652300.db2.gz HIXVBIYWDIEBFZ-YGRLFVJLSA-N 1 0 327.331 2.947 10 5 EFBERO Cc1ccncc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595075801 478652642 /nfs/dbraw/zinc/65/26/42/478652642.db2.gz YYAYMTWXMNUNRP-HZPDHXFCSA-N 1 0 329.404 2.811 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC000601106133 478659341 /nfs/dbraw/zinc/65/93/41/478659341.db2.gz SIDVCIUHPAGZDA-UHFFFAOYSA-N 1 0 347.341 2.633 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100742 478660434 /nfs/dbraw/zinc/66/04/34/478660434.db2.gz IPJOICCGDPZYIE-LSDHHAIUSA-N 1 0 346.431 2.844 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106848 478662784 /nfs/dbraw/zinc/66/27/84/478662784.db2.gz NFMGJGMVEGYQLG-STQMWFEESA-N 1 0 335.404 2.717 10 5 EFBERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108065 478663596 /nfs/dbraw/zinc/66/35/96/478663596.db2.gz ZCPYQAVUUIMOGZ-CZUORRHYSA-N 1 0 332.404 2.536 10 5 EFBERO C[NH+](C)C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601129770 478674296 /nfs/dbraw/zinc/67/42/96/478674296.db2.gz AXXKHVPXOQNBRA-UHFFFAOYSA-N 1 0 331.416 2.569 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000595220476 478691306 /nfs/dbraw/zinc/69/13/06/478691306.db2.gz HFVPZZWEAKZQAP-IAGOWNOFSA-N 1 0 325.368 2.552 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000595220750 478691384 /nfs/dbraw/zinc/69/13/84/478691384.db2.gz JPMAOCCFZZQXJC-NVXWUHKLSA-N 1 0 339.395 2.860 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595223162 478692560 /nfs/dbraw/zinc/69/25/60/478692560.db2.gz ZRDAINBSVLMHOV-QZTJIDSGSA-N 1 0 339.395 2.860 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595224362 478692813 /nfs/dbraw/zinc/69/28/13/478692813.db2.gz DITLUYCXRYDNQM-ZIAGYGMSSA-N 1 0 349.387 2.752 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225246 478693232 /nfs/dbraw/zinc/69/32/32/478693232.db2.gz KWUGFAPAHJOZLG-WMZOPIPTSA-N 1 0 345.443 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595224306 478693373 /nfs/dbraw/zinc/69/33/73/478693373.db2.gz CLGBDWNPAWPRSF-WMLDXEAASA-N 1 0 331.416 2.898 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227797 478694253 /nfs/dbraw/zinc/69/42/53/478694253.db2.gz JQYKDZFKTNJPTB-SNVBAGLBSA-N 1 0 346.334 2.691 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595226622 478694508 /nfs/dbraw/zinc/69/45/08/478694508.db2.gz WUIQPVDVLYDIGO-WBVHZDCISA-N 1 0 331.416 2.898 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226129 478694776 /nfs/dbraw/zinc/69/47/76/478694776.db2.gz QDSYOVYZKTVPFM-RHSMWYFYSA-N 1 0 331.416 2.898 10 5 EFBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595230873 478695928 /nfs/dbraw/zinc/69/59/28/478695928.db2.gz WBECJSQJIIKMTF-CQSZACIVSA-N 1 0 332.404 2.838 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000595248951 478701269 /nfs/dbraw/zinc/70/12/69/478701269.db2.gz KEVXFSVSQQYWSD-MRXNPFEDSA-N 1 0 325.368 2.788 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000591923437 478708947 /nfs/dbraw/zinc/70/89/47/478708947.db2.gz CKBHVVHQGOIMLL-OAHLLOKOSA-N 1 0 346.431 2.534 10 5 EFBERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601194212 478716769 /nfs/dbraw/zinc/71/67/69/478716769.db2.gz GHCRAUDUIXECQT-MRXNPFEDSA-N 1 0 344.390 2.882 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000601217705 478729498 /nfs/dbraw/zinc/72/94/98/478729498.db2.gz MFTUZVOBNLQPGP-UHFFFAOYSA-N 1 0 348.447 2.514 10 5 EFBERO CCc1nn(C)c(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985865 478734167 /nfs/dbraw/zinc/73/41/67/478734167.db2.gz PDCNLEYENAVXAB-CABCVRRESA-N 1 0 343.431 2.648 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000591991640 478738016 /nfs/dbraw/zinc/73/80/16/478738016.db2.gz APRMUNBRQPLMRJ-UHFFFAOYSA-N 1 0 325.796 2.549 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595376593 478754548 /nfs/dbraw/zinc/75/45/48/478754548.db2.gz KMWKGKBZOLYSFM-HYVNUMGLSA-N 1 0 343.427 2.789 10 5 EFBERO Cc1noc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595385416 478757958 /nfs/dbraw/zinc/75/79/58/478757958.db2.gz VYRQLMYFIBYWLY-OAHLLOKOSA-N 1 0 330.388 2.598 10 5 EFBERO CC(C)(C)OC(=O)COCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601296023 478771065 /nfs/dbraw/zinc/77/10/65/478771065.db2.gz MXDGVUCXSCULJO-AWEZNQCLSA-N 1 0 336.388 2.530 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C2CN(c3ccncn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000601303489 478774715 /nfs/dbraw/zinc/77/47/15/478774715.db2.gz DDMKPQAPQRRQJU-MRXNPFEDSA-N 1 0 339.399 2.586 10 5 EFBERO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000598343409 478776795 /nfs/dbraw/zinc/77/67/95/478776795.db2.gz UMULQXAIEOMYJB-GFCCVEGCSA-N 1 0 325.796 2.771 10 5 EFBERO CC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)COC1 ZINC000592131291 478789709 /nfs/dbraw/zinc/78/97/09/478789709.db2.gz WKKXXCRRBIIBKM-WKILWMFISA-N 1 0 334.416 2.737 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335397 478791544 /nfs/dbraw/zinc/79/15/44/478791544.db2.gz TYSPGOPMIRSFOS-WMLDXEAASA-N 1 0 333.432 2.956 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145411 478796558 /nfs/dbraw/zinc/79/65/58/478796558.db2.gz YPVDAKJNSWXWGO-UHFFFAOYSA-N 1 0 331.347 2.565 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000543899457 478797052 /nfs/dbraw/zinc/79/70/52/478797052.db2.gz OLFOWDXRCGGSBQ-UHFFFAOYSA-N 1 0 349.431 2.938 10 5 EFBERO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178312 478813228 /nfs/dbraw/zinc/81/32/28/478813228.db2.gz ABGFYBRTZGAHSV-KRWDZBQOSA-N 1 0 334.416 2.917 10 5 EFBERO CO[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCOC1 ZINC000595520781 478832831 /nfs/dbraw/zinc/83/28/31/478832831.db2.gz DQLQUPGNRYSMLW-XYJFISCASA-N 1 0 334.416 2.826 10 5 EFBERO CO[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCOC1 ZINC000595520779 478833068 /nfs/dbraw/zinc/83/30/68/478833068.db2.gz DQLQUPGNRYSMLW-LZLYRXPVSA-N 1 0 334.416 2.826 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCc1cccc(F)c1 ZINC000564856301 478835050 /nfs/dbraw/zinc/83/50/50/478835050.db2.gz KFMYVHPKUBPVCN-INIZCTEOSA-N 1 0 348.374 2.696 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)CC(F)(F)F)c2c1 ZINC000583377129 478835297 /nfs/dbraw/zinc/83/52/97/478835297.db2.gz AJVHROVDOKIYKC-NSHDSACASA-N 1 0 331.294 2.522 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601445632 478836189 /nfs/dbraw/zinc/83/61/89/478836189.db2.gz ZYJQVLIUJZCZHX-UHFFFAOYSA-N 1 0 343.427 2.785 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592256410 478843250 /nfs/dbraw/zinc/84/32/50/478843250.db2.gz YUODPZOICGZGFX-STQMWFEESA-N 1 0 337.445 2.817 10 5 EFBERO Cc1noc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595556755 478852531 /nfs/dbraw/zinc/85/25/31/478852531.db2.gz FTWBWUDLNNOANX-HOTGVXAUSA-N 1 0 345.399 2.849 10 5 EFBERO Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595588060 478871534 /nfs/dbraw/zinc/87/15/34/478871534.db2.gz ONVMDOYXQPOSQR-AWEZNQCLSA-N 1 0 334.420 2.575 10 5 EFBERO CN(CCC[NH+]1CCCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601547971 478874345 /nfs/dbraw/zinc/87/43/45/478874345.db2.gz YJOYKGPRPXFLJJ-UHFFFAOYSA-N 1 0 345.443 2.961 10 5 EFBERO Cc1cc(NC(=O)NCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000601562563 478880618 /nfs/dbraw/zinc/88/06/18/478880618.db2.gz DYJJEHXWSMQOOL-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO Cn1cnc(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000592393434 478881387 /nfs/dbraw/zinc/88/13/87/478881387.db2.gz IIFRAYUETWMSTR-INIZCTEOSA-N 1 0 329.404 2.713 10 5 EFBERO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@]1(O)CCOC1 ZINC000592397521 478883288 /nfs/dbraw/zinc/88/32/88/478883288.db2.gz MYRKHUDTEOQIMK-APWZRJJASA-N 1 0 348.443 2.683 10 5 EFBERO CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000598535927 478884752 /nfs/dbraw/zinc/88/47/52/478884752.db2.gz LOCWLYMCWHLAME-YNEHKIRRSA-N 1 0 337.445 2.674 10 5 EFBERO Cc1sc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598537148 478885029 /nfs/dbraw/zinc/88/50/29/478885029.db2.gz AKXXPPDBGYHHMQ-UHFFFAOYSA-N 1 0 337.445 2.817 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592427310 478891446 /nfs/dbraw/zinc/89/14/46/478891446.db2.gz ZGWSDFAURYLOFJ-HNNXBMFYSA-N 1 0 332.404 2.953 10 5 EFBERO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000595668321 478923868 /nfs/dbraw/zinc/92/38/68/478923868.db2.gz LTXSMZNZUHJVTO-SNVBAGLBSA-N 1 0 348.384 2.700 10 5 EFBERO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000595668320 478925165 /nfs/dbraw/zinc/92/51/65/478925165.db2.gz LTXSMZNZUHJVTO-JTQLQIEISA-N 1 0 348.384 2.700 10 5 EFBERO CN(CC[NH+]1CCCCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601657139 478931883 /nfs/dbraw/zinc/93/18/83/478931883.db2.gz FKZIJQYDZGTZOZ-UHFFFAOYSA-N 1 0 345.443 2.961 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592525658 478932262 /nfs/dbraw/zinc/93/22/62/478932262.db2.gz CQNFORXVGCJCLT-CYBMUJFWSA-N 1 0 348.399 2.772 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537964 478938254 /nfs/dbraw/zinc/93/82/54/478938254.db2.gz OCVHDTACHGQPIU-ZIAGYGMSSA-N 1 0 347.415 2.598 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537962 478938407 /nfs/dbraw/zinc/93/84/07/478938407.db2.gz OCVHDTACHGQPIU-KGLIPLIRSA-N 1 0 347.415 2.598 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537438 478938415 /nfs/dbraw/zinc/93/84/15/478938415.db2.gz CERCQFWKKHHISH-CZUORRHYSA-N 1 0 349.456 2.678 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537961 478938991 /nfs/dbraw/zinc/93/89/91/478938991.db2.gz OCVHDTACHGQPIU-KBPBESRZSA-N 1 0 347.415 2.598 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CC1(F)F ZINC000598678420 478966182 /nfs/dbraw/zinc/96/61/82/478966182.db2.gz XVCCBQIJVSYVHN-MNOVXSKESA-N 1 0 327.331 2.947 10 5 EFBERO C[C@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1O ZINC000595743553 478970647 /nfs/dbraw/zinc/97/06/47/478970647.db2.gz OEKKFBDACPSZEG-RYUDHWBXSA-N 1 0 331.372 2.699 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510958554 478973338 /nfs/dbraw/zinc/97/33/38/478973338.db2.gz LYGYYWYPWDQYOA-CJNGLKHVSA-N 1 0 349.431 2.843 10 5 EFBERO O=C1[C@@H]([N@@H+]2CCC[C@H](CCF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595756299 478978606 /nfs/dbraw/zinc/97/86/06/478978606.db2.gz SMROFWORNSVOSY-CJNGLKHVSA-N 1 0 335.379 2.772 10 5 EFBERO C[C@]12COC[C@@H]1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595760262 478981824 /nfs/dbraw/zinc/98/18/24/478981824.db2.gz SLMZKXGURFZTBE-GUYCJALGSA-N 1 0 329.356 2.718 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000601744295 478982058 /nfs/dbraw/zinc/98/20/58/478982058.db2.gz JVTBRRTVMVMBGV-UHFFFAOYSA-N 1 0 346.431 2.658 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595761486 478982440 /nfs/dbraw/zinc/98/24/40/478982440.db2.gz XABNGNACGREXBQ-NDGTYSDOSA-N 1 0 344.371 2.674 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000583995168 478990820 /nfs/dbraw/zinc/99/08/20/478990820.db2.gz PCHZYYOENRYVBS-HFQYIWAZSA-N 1 0 339.399 2.975 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000601792544 479008437 /nfs/dbraw/zinc/00/84/37/479008437.db2.gz XKCPHYLLKXCVCT-UHFFFAOYSA-N 1 0 333.432 2.779 10 5 EFBERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808786 479010474 /nfs/dbraw/zinc/01/04/74/479010474.db2.gz WJZZZSVZTLEKIN-GOEBONIOSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)CC1 ZINC000595818773 479015437 /nfs/dbraw/zinc/01/54/37/479015437.db2.gz IYLGOFZHTFROLG-OPFPJEHXSA-N 1 0 349.406 2.990 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595832071 479022658 /nfs/dbraw/zinc/02/26/58/479022658.db2.gz HJVQPYGEVWCUGG-HOTGVXAUSA-N 1 0 334.416 2.847 10 5 EFBERO CCOC(=O)c1cc(NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000546580562 479036325 /nfs/dbraw/zinc/03/63/25/479036325.db2.gz VQELRZHRDHFFAM-UHFFFAOYSA-N 1 0 333.388 2.835 10 5 EFBERO COC1([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000514655020 479039884 /nfs/dbraw/zinc/03/98/84/479039884.db2.gz KLRYVFBRLKXWPH-CYBMUJFWSA-N 1 0 347.415 2.792 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595874639 479043724 /nfs/dbraw/zinc/04/37/24/479043724.db2.gz XKDUIXIXGGQIPI-UHFFFAOYSA-N 1 0 327.400 2.953 10 5 EFBERO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000573402757 479058196 /nfs/dbraw/zinc/05/81/96/479058196.db2.gz OOGQJDFUXZTWRQ-OCCSQVGLSA-N 1 0 328.416 2.833 10 5 EFBERO COc1ccc(CN2c3ccccc3CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595903214 479061381 /nfs/dbraw/zinc/06/13/81/479061381.db2.gz LWEKGJGPCPYHFK-HNNXBMFYSA-N 1 0 327.384 2.884 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000595902871 479062165 /nfs/dbraw/zinc/06/21/65/479062165.db2.gz GGYQODVXNSAKDP-MRXNPFEDSA-N 1 0 327.384 2.884 10 5 EFBERO CCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](C)C1 ZINC000592832155 479064007 /nfs/dbraw/zinc/06/40/07/479064007.db2.gz RRLYAVOZSSBANB-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000595909841 479064805 /nfs/dbraw/zinc/06/48/05/479064805.db2.gz SWNOEXNATLIRIC-CYBMUJFWSA-N 1 0 335.326 2.703 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595911063 479065349 /nfs/dbraw/zinc/06/53/49/479065349.db2.gz LQXSHVRNDARUMO-UHFFFAOYSA-N 1 0 337.379 2.815 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595937500 479079254 /nfs/dbraw/zinc/07/92/54/479079254.db2.gz VJYXQKSNKZRZPH-QGZVFWFLSA-N 1 0 345.443 2.766 10 5 EFBERO CC(C)([NH3+])c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC000595951442 479082020 /nfs/dbraw/zinc/08/20/20/479082020.db2.gz LPNJBMRDSWJRGO-UHFFFAOYSA-N 1 0 344.371 2.581 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000598914364 479084012 /nfs/dbraw/zinc/08/40/12/479084012.db2.gz BNGPYWDHPZKJDP-IAQYHMDHSA-N 1 0 336.367 2.730 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(Cc2cccs2)C1 ZINC000601966049 479100009 /nfs/dbraw/zinc/10/00/09/479100009.db2.gz XTAAXOQTKFKLPY-AWEZNQCLSA-N 1 0 348.424 2.571 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601974500 479104643 /nfs/dbraw/zinc/10/46/43/479104643.db2.gz JQBBJOGSOPCENR-JLZZUVOBSA-N 1 0 349.456 2.533 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000596057440 479112305 /nfs/dbraw/zinc/11/23/05/479112305.db2.gz QWNJRVAOSNBMHH-QGZVFWFLSA-N 1 0 331.416 2.926 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000598989896 479116278 /nfs/dbraw/zinc/11/62/78/479116278.db2.gz UTZNYGJUGMGJIY-ZDUSSCGKSA-N 1 0 328.294 2.993 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000515087267 479118688 /nfs/dbraw/zinc/11/86/88/479118688.db2.gz GVDBNZBNKDGZJK-DLBZAZTESA-N 1 0 346.408 2.514 10 5 EFBERO O=C(C1CC1)N1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599018228 479126976 /nfs/dbraw/zinc/12/69/76/479126976.db2.gz HRDVZXXQRMXLHR-UHFFFAOYSA-N 1 0 340.383 2.956 10 5 EFBERO CC[C@@H](CSC)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593018993 479127680 /nfs/dbraw/zinc/12/76/80/479127680.db2.gz HLPPQHUBKLBGLN-ZDUSSCGKSA-N 1 0 326.418 2.955 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599019289 479128286 /nfs/dbraw/zinc/12/82/86/479128286.db2.gz DVZRMAXGKFYAEY-MRXNPFEDSA-N 1 0 331.416 2.961 10 5 EFBERO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027640 479131324 /nfs/dbraw/zinc/13/13/24/479131324.db2.gz UWARWIGQPXFPGI-KRWDZBQOSA-N 1 0 336.388 2.508 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1 ZINC000593029715 479133837 /nfs/dbraw/zinc/13/38/37/479133837.db2.gz GGIXFAYVIJWEHC-CQSZACIVSA-N 1 0 338.404 2.610 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000593035102 479135918 /nfs/dbraw/zinc/13/59/18/479135918.db2.gz XFUDHZWJMTVVCL-DIFFPNOSSA-N 1 0 336.388 2.675 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC12CCCC2 ZINC000593037883 479137150 /nfs/dbraw/zinc/13/71/50/479137150.db2.gz DESMYKDTQXYSRC-UHFFFAOYSA-N 1 0 331.372 2.911 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596103083 479139427 /nfs/dbraw/zinc/13/94/27/479139427.db2.gz CJZRZGPPUJTLLZ-UHFFFAOYSA-N 1 0 329.784 2.835 10 5 EFBERO [NH3+][C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1F ZINC000596105212 479140906 /nfs/dbraw/zinc/14/09/06/479140906.db2.gz HDBTUMAKPFYUIX-ZIAGYGMSSA-N 1 0 336.392 2.589 10 5 EFBERO CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599059317 479142230 /nfs/dbraw/zinc/14/22/30/479142230.db2.gz MVWVQEOMRKIXIF-GJZGRUSLSA-N 1 0 332.429 2.625 10 5 EFBERO COCC[N@@H+]1CCC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596115550 479148674 /nfs/dbraw/zinc/14/86/74/479148674.db2.gz BEVRYJTYECLLKK-NSHDSACASA-N 1 0 343.811 2.780 10 5 EFBERO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596122887 479151559 /nfs/dbraw/zinc/15/15/59/479151559.db2.gz QEFLZPCXCUMUPD-CQSZACIVSA-N 1 0 338.477 2.571 10 5 EFBERO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCOC1 ZINC000593069518 479155874 /nfs/dbraw/zinc/15/58/74/479155874.db2.gz TWBKLBRFRPUHMS-HNNXBMFYSA-N 1 0 335.404 2.733 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000599093865 479159242 /nfs/dbraw/zinc/15/92/42/479159242.db2.gz XJGFTYSEEZFWNL-YVLXSGLVSA-N 1 0 332.360 2.775 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000599094330 479159896 /nfs/dbraw/zinc/15/98/96/479159896.db2.gz UEHDKAPUBRHLLN-XJKSGUPXSA-N 1 0 331.416 2.659 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584518001 479161938 /nfs/dbraw/zinc/16/19/38/479161938.db2.gz FTDBSIALSRXAKN-QGZVFWFLSA-N 1 0 332.404 2.765 10 5 EFBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593090648 479168194 /nfs/dbraw/zinc/16/81/94/479168194.db2.gz BTPOTQOJBXHAPA-CYBMUJFWSA-N 1 0 333.388 2.567 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@@H+]3C3CCCCC3)c21 ZINC000599127000 479170338 /nfs/dbraw/zinc/17/03/38/479170338.db2.gz LJDKQBVFPVZONO-CQSZACIVSA-N 1 0 341.415 2.779 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CC[N@@H+]3C3CCCCC3)c2c1 ZINC000599127178 479170832 /nfs/dbraw/zinc/17/08/32/479170832.db2.gz QPDKILWWQYLACU-HNNXBMFYSA-N 1 0 341.415 2.779 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000584540204 479172030 /nfs/dbraw/zinc/17/20/30/479172030.db2.gz QQKATCQRIZQPQV-BBRMVZONSA-N 1 0 339.399 2.631 10 5 EFBERO COc1ccc(OCC[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117113 479186184 /nfs/dbraw/zinc/18/61/84/479186184.db2.gz OWBOMIIIASCHFV-AWEZNQCLSA-N 1 0 328.315 2.713 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118780 479187544 /nfs/dbraw/zinc/18/75/44/479187544.db2.gz RYCDUPLQWKTICV-OAHLLOKOSA-N 1 0 339.342 2.963 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593126370 479192680 /nfs/dbraw/zinc/19/26/80/479192680.db2.gz UJAGMMCZQSZXHD-BZSNNMDCSA-N 1 0 342.399 2.786 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000584634752 479195465 /nfs/dbraw/zinc/19/54/65/479195465.db2.gz KHYZNVRIKISQHA-ZENOOKHLSA-N 1 0 337.420 2.699 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596237880 479217503 /nfs/dbraw/zinc/21/75/03/479217503.db2.gz JDJBKIROAWUHJI-SECBINFHSA-N 1 0 329.784 2.644 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1(C)C ZINC000602174799 479217843 /nfs/dbraw/zinc/21/78/43/479217843.db2.gz URTZJPSPVCLPBU-UONOGXRCSA-N 1 0 330.388 2.535 10 5 EFBERO C[NH+]1CCC2(CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)CC1 ZINC000596238145 479218350 /nfs/dbraw/zinc/21/83/50/479218350.db2.gz JWKLHGBCEOSJGU-UHFFFAOYSA-N 1 0 330.432 2.791 10 5 EFBERO COc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596241470 479219218 /nfs/dbraw/zinc/21/92/18/479219218.db2.gz FTAYPRGRIRMXTF-HNNXBMFYSA-N 1 0 325.796 2.789 10 5 EFBERO COC(=O)c1c(Cl)c(N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596246795 479222834 /nfs/dbraw/zinc/22/28/34/479222834.db2.gz ZGZDZCPMDTVAGM-UWVGGRQHSA-N 1 0 341.795 2.564 10 5 EFBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596275386 479235862 /nfs/dbraw/zinc/23/58/62/479235862.db2.gz RBTRXVFGBNTHCQ-WDEREUQCSA-N 1 0 347.337 2.505 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000556927604 479239416 /nfs/dbraw/zinc/23/94/16/479239416.db2.gz UNCKODLNLZODPQ-YOYDVCCWSA-N 1 0 345.443 2.793 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593207467 479239967 /nfs/dbraw/zinc/23/99/67/479239967.db2.gz HVRYRIOIQMJIOW-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO CC1(C)CC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000599331919 479257968 /nfs/dbraw/zinc/25/79/68/479257968.db2.gz KCLXEGNZLMFBSK-UHFFFAOYSA-N 1 0 331.416 2.789 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593248220 479260227 /nfs/dbraw/zinc/26/02/27/479260227.db2.gz CDILSAVSTBTRSE-UHFFFAOYSA-N 1 0 334.420 2.764 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596361919 479265404 /nfs/dbraw/zinc/26/54/04/479265404.db2.gz MCMWGYZBPGMCIX-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430168 479292802 /nfs/dbraw/zinc/29/28/02/479292802.db2.gz JTDPZDXXONYOGG-VIFPVBQESA-N 1 0 329.784 2.787 10 5 EFBERO CCc1cc(N(C)CC2C[NH+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596453962 479300436 /nfs/dbraw/zinc/30/04/36/479300436.db2.gz OQWSHTQRRHAVPD-UHFFFAOYSA-N 1 0 341.415 2.612 10 5 EFBERO CC[C@@H](NC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456930 479302477 /nfs/dbraw/zinc/30/24/77/479302477.db2.gz UZOKCRWXMFILQW-JKSUJKDBSA-N 1 0 334.420 2.782 10 5 EFBERO O=C(CC[NH+]1CC2(C1)CC(F)(F)C2)Nc1ccccc1[N+](=O)[O-] ZINC000611180508 479305451 /nfs/dbraw/zinc/30/54/51/479305451.db2.gz YTPLWTJKJMKUPR-UHFFFAOYSA-N 1 0 325.315 2.655 10 5 EFBERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000596461369 479305445 /nfs/dbraw/zinc/30/54/45/479305445.db2.gz HOCITJAYZPAEGB-MRXNPFEDSA-N 1 0 326.400 2.743 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585717001 479315757 /nfs/dbraw/zinc/31/57/57/479315757.db2.gz SQMMAJGOJAUPRW-DOTOQJQBSA-N 1 0 333.432 2.843 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596516005 479324281 /nfs/dbraw/zinc/32/42/81/479324281.db2.gz BQFGZCIMRJMEHZ-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553524 479331194 /nfs/dbraw/zinc/33/11/94/479331194.db2.gz YBPAVUXGXOTFOL-DFBGVHRSSA-N 1 0 335.429 2.892 10 5 EFBERO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000611275040 479333169 /nfs/dbraw/zinc/33/31/69/479333169.db2.gz RESPWLHOHXFWKZ-UHFFFAOYSA-N 1 0 349.412 2.805 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596543421 479334480 /nfs/dbraw/zinc/33/44/80/479334480.db2.gz UCLQUXXUMVCFRK-UHFFFAOYSA-N 1 0 343.449 2.531 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596544103 479335546 /nfs/dbraw/zinc/33/55/46/479335546.db2.gz YAJNUKARGVEQKU-UHFFFAOYSA-N 1 0 349.478 2.592 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000596568727 479343515 /nfs/dbraw/zinc/34/35/15/479343515.db2.gz UKCQZJTUJVNJQM-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[NH2+]1 ZINC000599602963 479348376 /nfs/dbraw/zinc/34/83/76/479348376.db2.gz BGQXTMOXVOSIBS-PSASIEDQSA-N 1 0 346.309 2.876 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460011 479350787 /nfs/dbraw/zinc/35/07/87/479350787.db2.gz YXNHTFMDVQFVIS-CHWSQXEVSA-N 1 0 337.395 2.656 10 5 EFBERO C[NH+](C)[C@@]1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000593468241 479355234 /nfs/dbraw/zinc/35/52/34/479355234.db2.gz PQRZGFSDSZSDRG-MRXNPFEDSA-N 1 0 332.429 2.992 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625402 479357386 /nfs/dbraw/zinc/35/73/86/479357386.db2.gz JRXCEMZELMOCEZ-XREXNNHRSA-N 1 0 335.404 2.633 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625796 479358826 /nfs/dbraw/zinc/35/88/26/479358826.db2.gz PMLDDOGLNGKJAY-MRHIQRDNSA-N 1 0 335.404 2.633 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000611377192 479362157 /nfs/dbraw/zinc/36/21/57/479362157.db2.gz WISPKYOOAXRMHN-ZDUSSCGKSA-N 1 0 331.372 2.506 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587344471 479370564 /nfs/dbraw/zinc/37/05/64/479370564.db2.gz KBEYYJNZBKAYOG-GUTXKFCHSA-N 1 0 348.447 2.511 10 5 EFBERO C[C@@H]1CCC[N@H+](CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587240127 479370761 /nfs/dbraw/zinc/37/07/61/479370761.db2.gz ODQQWIHSAAPPPX-CYBMUJFWSA-N 1 0 336.436 2.593 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587344482 479370814 /nfs/dbraw/zinc/37/08/14/479370814.db2.gz KBEYYJNZBKAYOG-VNHYZAJKSA-N 1 0 348.447 2.511 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599661107 479376816 /nfs/dbraw/zinc/37/68/16/479376816.db2.gz SCWOOSQOUZYVOS-ZACQAIPSSA-N 1 0 348.399 2.637 10 5 EFBERO O=C(C[N@@H+]1CCCC2(CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599672914 479383692 /nfs/dbraw/zinc/38/36/92/479383692.db2.gz JPLSQGMUPHFUIE-UHFFFAOYSA-N 1 0 329.400 2.750 10 5 EFBERO CC[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000603434989 479384688 /nfs/dbraw/zinc/38/46/88/479384688.db2.gz VWXCKRRGGAQPKO-HNNXBMFYSA-N 1 0 334.420 2.782 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599693850 479394128 /nfs/dbraw/zinc/39/41/28/479394128.db2.gz NNFCIWFWJCQEAZ-AWEZNQCLSA-N 1 0 348.403 2.742 10 5 EFBERO COC(=O)C1C[C@H](C)[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000599693728 479394532 /nfs/dbraw/zinc/39/45/32/479394532.db2.gz FYVDRLJCVDEESO-RYUDHWBXSA-N 1 0 336.388 2.765 10 5 EFBERO COC(=O)C1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000599709110 479401202 /nfs/dbraw/zinc/40/12/02/479401202.db2.gz PLGKAKIYCNMTES-VXGBXAGGSA-N 1 0 336.388 2.765 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000611554636 479414113 /nfs/dbraw/zinc/41/41/13/479414113.db2.gz JJYQWQYWHOQBHU-LBPRGKRZSA-N 1 0 337.445 2.921 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)s1 ZINC000593669862 479417350 /nfs/dbraw/zinc/41/73/50/479417350.db2.gz BSOXSKOWGOTKJU-QGZVFWFLSA-N 1 0 348.424 2.954 10 5 EFBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593669879 479417684 /nfs/dbraw/zinc/41/76/84/479417684.db2.gz BYIMPOPRCSGZSX-QWHCGFSZSA-N 1 0 348.424 2.905 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@]2(O)CCOC2)s1 ZINC000593669859 479417933 /nfs/dbraw/zinc/41/79/33/479417933.db2.gz BSOXSKOWGOTKJU-KRWDZBQOSA-N 1 0 348.424 2.954 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611579289 479423654 /nfs/dbraw/zinc/42/36/54/479423654.db2.gz UZTVBWVEIRIUDI-NSHDSACASA-N 1 0 343.330 2.627 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000603833260 479434055 /nfs/dbraw/zinc/43/40/55/479434055.db2.gz DBKLHPQWUHRFQJ-CYBMUJFWSA-N 1 0 328.372 2.773 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCOC1 ZINC000593725838 479436224 /nfs/dbraw/zinc/43/62/24/479436224.db2.gz YTJNHYVNABAWQE-CJNGLKHVSA-N 1 0 340.445 2.597 10 5 EFBERO O=C(NCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831387 479443741 /nfs/dbraw/zinc/44/37/41/479443741.db2.gz SRPQJWKNZVZWEQ-UHFFFAOYSA-N 1 0 343.387 2.750 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833936 479445738 /nfs/dbraw/zinc/44/57/38/479445738.db2.gz AYGPOFSUEMCKGP-LBPRGKRZSA-N 1 0 345.403 2.993 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000596843322 479451719 /nfs/dbraw/zinc/45/17/19/479451719.db2.gz KCHKWSAKOMOYDZ-ZDUSSCGKSA-N 1 0 336.392 2.551 10 5 EFBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000575945402 479508297 /nfs/dbraw/zinc/50/82/97/479508297.db2.gz AYKBLHOKXMZKFL-ZDUSSCGKSA-N 1 0 335.404 2.550 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602734069 479514853 /nfs/dbraw/zinc/51/48/53/479514853.db2.gz XUXBLIAIDPLPQW-DTQAZKPQSA-N 1 0 348.443 2.845 10 5 EFBERO C[C@@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000600123900 479529432 /nfs/dbraw/zinc/52/94/32/479529432.db2.gz JSOCTQQQEAONMD-KRWDZBQOSA-N 1 0 349.456 2.638 10 5 EFBERO CC[N@H+](CCc1nccs1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502632 479533946 /nfs/dbraw/zinc/53/39/46/479533946.db2.gz ACUMZUULDNDRNC-UHFFFAOYSA-N 1 0 349.412 2.903 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000589506112 479535134 /nfs/dbraw/zinc/53/51/34/479535134.db2.gz VTEOPNJSRJSOEJ-HUUCEWRRSA-N 1 0 348.399 2.630 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000589506870 479535893 /nfs/dbraw/zinc/53/58/93/479535893.db2.gz YVFMBLVGPBOEFM-PBHICJAKSA-N 1 0 336.388 2.675 10 5 EFBERO C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000589598041 479543727 /nfs/dbraw/zinc/54/37/27/479543727.db2.gz CZRQRAMDNJNZDS-YVEFUNNKSA-N 1 0 344.415 2.773 10 5 EFBERO C[C@@]1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCS1 ZINC000600160824 479552256 /nfs/dbraw/zinc/55/22/56/479552256.db2.gz GKXGXKHORKOLBK-KRWDZBQOSA-N 1 0 349.456 2.638 10 5 EFBERO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040073 479562025 /nfs/dbraw/zinc/56/20/25/479562025.db2.gz CWWMBACPQPCFGF-XJKSGUPXSA-N 1 0 335.404 2.861 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594044961 479565064 /nfs/dbraw/zinc/56/50/64/479565064.db2.gz RKUOQYQSHPQYAJ-ZBFHGGJFSA-N 1 0 335.404 2.779 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092743 479568618 /nfs/dbraw/zinc/56/86/18/479568618.db2.gz RWDCOYXEIPVMGP-VIFPVBQESA-N 1 0 343.815 2.681 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000594102521 479587926 /nfs/dbraw/zinc/58/79/26/479587926.db2.gz MWNPKGOWMYBLNC-JGZJWPJOSA-N 1 0 345.321 2.684 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000590044639 479595329 /nfs/dbraw/zinc/59/53/29/479595329.db2.gz KALJCNQOMFSRFG-BBRMVZONSA-N 1 0 331.416 2.668 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000590053068 479597081 /nfs/dbraw/zinc/59/70/81/479597081.db2.gz WIWMGAYCIPJWOS-PBHICJAKSA-N 1 0 327.384 2.991 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CSC)C2)c1 ZINC000590054821 479597365 /nfs/dbraw/zinc/59/73/65/479597365.db2.gz RLADDNCUHQPIQS-GFCCVEGCSA-N 1 0 338.429 2.956 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000590183927 479614881 /nfs/dbraw/zinc/61/48/81/479614881.db2.gz DWIPWEVYHVRPCK-YGRLFVJLSA-N 1 0 329.322 2.750 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000597231844 479634271 /nfs/dbraw/zinc/63/42/71/479634271.db2.gz RUENYLHZMGHJBI-JQWIXIFHSA-N 1 0 328.315 2.665 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000590375759 479636110 /nfs/dbraw/zinc/63/61/10/479636110.db2.gz KERRPIKXMLOENQ-UHFFFAOYSA-N 1 0 349.456 2.875 10 5 EFBERO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000590378639 479637254 /nfs/dbraw/zinc/63/72/54/479637254.db2.gz YTJVASLQAAUHSL-GFCCVEGCSA-N 1 0 340.261 2.557 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248027 479643350 /nfs/dbraw/zinc/64/33/50/479643350.db2.gz JOVJUODMGLRAFB-ZGRWHYIRSA-N 1 0 333.432 2.651 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248025 479643526 /nfs/dbraw/zinc/64/35/26/479643526.db2.gz JOVJUODMGLRAFB-CTEOGUNLSA-N 1 0 333.432 2.651 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000590442465 479648626 /nfs/dbraw/zinc/64/86/26/479648626.db2.gz HEQWABBEYIZQLN-GWCFXTLKSA-N 1 0 331.397 2.586 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590445858 479649093 /nfs/dbraw/zinc/64/90/93/479649093.db2.gz TXOBBBMJRXDKIV-DOMZBBRYSA-N 1 0 349.456 2.873 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000590578316 479662754 /nfs/dbraw/zinc/66/27/54/479662754.db2.gz PQYYPAHBWNOYGG-SNVBAGLBSA-N 1 0 341.795 2.565 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000612576497 479697634 /nfs/dbraw/zinc/69/76/34/479697634.db2.gz PPLKMGFWBVZSCA-SFHVURJKSA-N 1 0 333.432 2.590 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000612611501 479709236 /nfs/dbraw/zinc/70/92/36/479709236.db2.gz GLJKDBWXRQPXKK-UHFFFAOYSA-N 1 0 342.290 2.959 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCCCO)CC1 ZINC000615835200 479766053 /nfs/dbraw/zinc/76/60/53/479766053.db2.gz YOFSSSUIPXFQBC-NTCAYCPXSA-N 1 0 334.416 2.862 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619451603 479797297 /nfs/dbraw/zinc/79/72/97/479797297.db2.gz PZBFETZNXYGVDW-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000614256141 480246986 /nfs/dbraw/zinc/24/69/86/480246986.db2.gz VFFMAFACKRHZOM-KXVKIKSLSA-N 1 0 348.399 2.651 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610446370 480307861 /nfs/dbraw/zinc/30/78/61/480307861.db2.gz VBUJTIOBEHLFCH-CQSZACIVSA-N 1 0 342.399 2.660 10 5 EFBERO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000188012004 533795418 /nfs/dbraw/zinc/79/54/18/533795418.db2.gz OSDJNNGVMHIGST-BZNIZROVSA-N 1 0 326.368 2.725 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000191343437 534055190 /nfs/dbraw/zinc/05/51/90/534055190.db2.gz VTQDDVNPIHWRLH-KBPBESRZSA-N 1 0 332.404 2.912 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186320335 520576071 /nfs/dbraw/zinc/57/60/71/520576071.db2.gz BPUPVJQIXTUFLL-IRXDYDNUSA-N 1 0 334.416 2.701 10 5 EFBERO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000080715167 520903787 /nfs/dbraw/zinc/90/37/87/520903787.db2.gz QWLMFISRBQUTHC-GOOCMWNKSA-N 1 0 347.415 2.739 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174131277 521545572 /nfs/dbraw/zinc/54/55/72/521545572.db2.gz WSNXQRNMDDBYFH-UHFFFAOYSA-N 1 0 349.431 2.602 10 5 EFBERO C[NH2+]C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179140091 521949841 /nfs/dbraw/zinc/94/98/41/521949841.db2.gz VSKODIDJLAKAMN-UHFFFAOYSA-N 1 0 346.412 2.542 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611296 522524186 /nfs/dbraw/zinc/52/41/86/522524186.db2.gz YJWCUCKBQBMVFL-OCCSQVGLSA-N 1 0 329.404 2.723 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632124 522526135 /nfs/dbraw/zinc/52/61/35/522526135.db2.gz ZLUYHHAVXHTTQL-ZFWWWQNUSA-N 1 0 329.404 2.804 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090088410 522812273 /nfs/dbraw/zinc/81/22/73/522812273.db2.gz RQHROQDMCDLQIC-GFCCVEGCSA-N 1 0 333.310 2.656 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245436911 523318811 /nfs/dbraw/zinc/31/88/11/523318811.db2.gz VVYHOZTVBZWXTM-KBPBESRZSA-N 1 0 332.404 2.994 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245431065 523483485 /nfs/dbraw/zinc/48/34/85/523483485.db2.gz MNBZOCTXUZDPQX-HIFRSBDPSA-N 1 0 332.404 2.994 10 5 EFBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000246178429 523991661 /nfs/dbraw/zinc/99/16/61/523991661.db2.gz BVYPDPJRWMZDRQ-JSGCOSHPSA-N 1 0 337.807 2.805 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000251539717 524007887 /nfs/dbraw/zinc/00/78/87/524007887.db2.gz DPIXRZKRUUTVAJ-WBMJQRKESA-N 1 0 335.404 2.589 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000121385388 524048635 /nfs/dbraw/zinc/04/86/35/524048635.db2.gz YZMPDBZYJKXHMD-UHFFFAOYSA-N 1 0 348.447 2.557 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811078 525636150 /nfs/dbraw/zinc/63/61/50/525636150.db2.gz HKVZNLZHQZILQA-UKRRQHHQSA-N 1 0 327.388 2.704 10 5 EFBERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000139959569 526238500 /nfs/dbraw/zinc/23/85/00/526238500.db2.gz XBARUSJSSJWBKQ-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO O=C(NCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179989530 526337387 /nfs/dbraw/zinc/33/73/87/526337387.db2.gz IEQBEUVZEFDOIB-GOSISDBHSA-N 1 0 339.395 2.800 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317332 526636774 /nfs/dbraw/zinc/63/67/74/526636774.db2.gz RLBOEYRNEPLTPU-CYBMUJFWSA-N 1 0 331.397 2.730 10 5 EFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195518224 526920881 /nfs/dbraw/zinc/92/08/81/526920881.db2.gz QMFVFYCMMPROMV-AWEZNQCLSA-N 1 0 346.387 2.620 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182082236 527314267 /nfs/dbraw/zinc/31/42/67/527314267.db2.gz FIYOFKBPFBYURS-ZDUSSCGKSA-N 1 0 342.399 2.549 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000245835416 527342747 /nfs/dbraw/zinc/34/27/47/527342747.db2.gz GZSJAHGDDBPFSW-INIZCTEOSA-N 1 0 328.372 2.530 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000246223830 527394024 /nfs/dbraw/zinc/39/40/24/527394024.db2.gz DTLOCHOUSZXWBJ-ZWKOTPCHSA-N 1 0 333.432 2.579 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000246223823 527394932 /nfs/dbraw/zinc/39/49/32/527394932.db2.gz DTLOCHOUSZXWBJ-ROUUACIJSA-N 1 0 333.432 2.579 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000090539987 527413837 /nfs/dbraw/zinc/41/38/37/527413837.db2.gz HLBKCJNXGKRTSA-KRWDZBQOSA-N 1 0 342.399 2.784 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000188040288 527826960 /nfs/dbraw/zinc/82/69/60/527826960.db2.gz VAPDSYRMUPCGBL-DOMZBBRYSA-N 1 0 349.431 2.714 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126413 534942556 /nfs/dbraw/zinc/94/25/56/534942556.db2.gz KDYXVDNXYMHEAO-HIFRSBDPSA-N 1 0 349.431 2.937 10 5 EFBERO CC(C)(CC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000422563442 535025449 /nfs/dbraw/zinc/02/54/49/535025449.db2.gz FUFNKWNVZMJZJO-UHFFFAOYSA-N 1 0 345.197 2.606 10 5 EFBERO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)O ZINC000425405103 535089567 /nfs/dbraw/zinc/08/95/67/535089567.db2.gz MZZYQLJFRUOSGH-JTQLQIEISA-N 1 0 331.210 2.949 10 5 EFBERO CC(C)(NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000418450632 535225712 /nfs/dbraw/zinc/22/57/12/535225712.db2.gz LTTDBYFYFPDCAQ-OAHLLOKOSA-N 1 0 342.399 2.829 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342932509 535450384 /nfs/dbraw/zinc/45/03/84/535450384.db2.gz FENMDYANBRKWPG-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000345915367 535702676 /nfs/dbraw/zinc/70/26/76/535702676.db2.gz YGDMQFUZBSEHQA-OLZOCXBDSA-N 1 0 335.404 2.548 10 5 EFBERO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352058724 535956007 /nfs/dbraw/zinc/95/60/07/535956007.db2.gz FYCDTKWXFSJVHK-MRXNPFEDSA-N 1 0 331.416 2.568 10 5 EFBERO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H]1CC=CCC1 ZINC000344068209 536173613 /nfs/dbraw/zinc/17/36/13/536173613.db2.gz QEIGXOHVXAYPAC-LBPRGKRZSA-N 1 0 347.371 2.550 10 5 EFBERO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1CC=CCC1 ZINC000344068208 536173758 /nfs/dbraw/zinc/17/37/58/536173758.db2.gz QEIGXOHVXAYPAC-GFCCVEGCSA-N 1 0 347.371 2.550 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362312845 536752957 /nfs/dbraw/zinc/75/29/57/536752957.db2.gz BDCNQQHCAOAJIS-CHWSQXEVSA-N 1 0 338.379 2.991 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000425353119 536807398 /nfs/dbraw/zinc/80/73/98/536807398.db2.gz LFDJODVXJUEEAB-CYBMUJFWSA-N 1 0 328.315 2.889 10 5 EFBERO COc1ccc(OCC[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000353657269 536850885 /nfs/dbraw/zinc/85/08/85/536850885.db2.gz NLOUVHIVBIFIEQ-UHFFFAOYSA-N 1 0 338.404 2.657 10 5 EFBERO CC(C)C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000268170080 538121720 /nfs/dbraw/zinc/12/17/20/538121720.db2.gz SFKCINVCBNAZRA-AWEZNQCLSA-N 1 0 337.395 2.974 10 5 EFBERO CC[N@H+](CCc1nccs1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000753982534 575370224 /nfs/dbraw/zinc/37/02/24/575370224.db2.gz VCSIPKXVWMUADN-UHFFFAOYSA-N 1 0 346.416 2.627 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000755095974 575540869 /nfs/dbraw/zinc/54/08/69/575540869.db2.gz CDOCXVARHYULLO-IKESIWSLSA-N 1 0 331.416 2.989 10 5 EFBERO CC[NH+]1CCC(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755144367 575550611 /nfs/dbraw/zinc/55/06/11/575550611.db2.gz XBGZFFQXEPGAFT-OWBHPGMISA-N 1 0 331.416 2.846 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755920864 575656655 /nfs/dbraw/zinc/65/66/55/575656655.db2.gz QRSMPLJHWZCGDM-ZDUSSCGKSA-N 1 0 337.395 2.911 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291813 576141040 /nfs/dbraw/zinc/14/10/40/576141040.db2.gz KBUAOJGIWCPLOO-CABCVRRESA-N 1 0 344.415 2.959 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ncccc2F)cc1Cl ZINC000761526394 576174838 /nfs/dbraw/zinc/17/48/38/576174838.db2.gz AYUCZZAYTICVGZ-UHFFFAOYSA-N 1 0 325.727 2.951 10 5 EFBERO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCCC1 ZINC000761874929 576223788 /nfs/dbraw/zinc/22/37/88/576223788.db2.gz QHHHHFLLOKTVPL-UHFFFAOYSA-N 1 0 348.403 2.602 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000762702756 576325901 /nfs/dbraw/zinc/32/59/01/576325901.db2.gz JVXWHOVYIMUCDX-SQFISAMPSA-N 1 0 329.400 2.766 10 5 EFBERO CC[NH+](CC)CCN(CCOC)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000764162410 576437615 /nfs/dbraw/zinc/43/76/15/576437615.db2.gz QUCNTCLQZQNUBV-UHFFFAOYSA-N 1 0 346.431 2.938 10 5 EFBERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844938 577082202 /nfs/dbraw/zinc/08/22/02/577082202.db2.gz LGVAVFHFHMAESP-SJCJKPOMSA-N 1 0 346.383 2.996 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC ZINC000768103465 577254609 /nfs/dbraw/zinc/25/46/09/577254609.db2.gz FPLAPGAPCGCTNW-LAJNKCICSA-N 1 0 330.475 2.824 10 5 EFBERO CC[NH+](CC)CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000772255019 581300112 /nfs/dbraw/zinc/30/01/12/581300112.db2.gz CMYWLWOGQRNEPF-UHFFFAOYSA-N 1 0 332.303 2.695 10 5 EFBERO C/C(=C/C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000772889987 581378629 /nfs/dbraw/zinc/37/86/29/581378629.db2.gz PLQSHANVHSTWBU-OWBHPGMISA-N 1 0 343.427 2.989 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000773216167 581406344 /nfs/dbraw/zinc/40/63/44/581406344.db2.gz XAFHTCBEHHRKKA-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491304 1250505921 /nfs/dbraw/zinc/50/59/21/1250505921.db2.gz OBJYBCIZZMOLAD-YTEVENLXSA-N 1 0 338.351 2.947 10 5 EFBERO CCn1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001691440647 1249027632 /nfs/dbraw/zinc/02/76/32/1249027632.db2.gz CMTAYRVEBVCOLV-UHFFFAOYSA-N 1 0 344.415 2.586 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691497533 1249703468 /nfs/dbraw/zinc/70/34/68/1249703468.db2.gz CXZBGFQPYIHPFB-KRQWNERDSA-N 1 0 337.445 2.997 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691005658 1247918689 /nfs/dbraw/zinc/91/86/89/1247918689.db2.gz AJTHSSOYHFOMEA-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)n1 ZINC001299305668 1265467668 /nfs/dbraw/zinc/46/76/68/1265467668.db2.gz BRMNEEJPNGGMNX-UHFFFAOYSA-N 1 0 332.335 2.751 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC001691244616 1248568011 /nfs/dbraw/zinc/56/80/11/1248568011.db2.gz TZWQXWBTTQJWJG-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001691248957 1248569830 /nfs/dbraw/zinc/56/98/30/1248569830.db2.gz XSUVZGCWSQMLDE-UHFFFAOYSA-N 1 0 325.415 2.580 10 5 EFBERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000850342444 1250440908 /nfs/dbraw/zinc/44/09/08/1250440908.db2.gz JPRKECAPNPLOPV-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850348835 1250444070 /nfs/dbraw/zinc/44/40/70/1250444070.db2.gz VSUMKHPTTMCTSK-OAQYLSRUSA-N 1 0 344.742 2.649 10 5 EFBERO Cc1c([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490542 1250502089 /nfs/dbraw/zinc/50/20/89/1250502089.db2.gz CVSAAGRVHPXVAJ-MLMJSJRWSA-N 1 0 338.351 2.865 10 5 EFBERO CC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491303 1250505126 /nfs/dbraw/zinc/50/51/26/1250505126.db2.gz OBJYBCIZZMOLAD-VERVWZFWSA-N 1 0 338.351 2.947 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850539697 1250528174 /nfs/dbraw/zinc/52/81/74/1250528174.db2.gz FJGIODKBVHDYTD-XGWLTEMNSA-N 1 0 343.431 2.973 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC=CC1 ZINC001691520537 1251140697 /nfs/dbraw/zinc/14/06/97/1251140697.db2.gz NWJNSKKRHGDSLJ-WKILWMFISA-N 1 0 343.427 2.936 10 5 EFBERO CC(=O)N(CC[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001484397289 1252521735 /nfs/dbraw/zinc/52/17/35/1252521735.db2.gz DRWZICFXTBNWCM-UHFFFAOYSA-N 1 0 327.384 2.733 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccnc1 ZINC001484731058 1252827953 /nfs/dbraw/zinc/82/79/53/1252827953.db2.gz KHAZSPUIPTZPMH-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO CN1C[C@@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000922489618 1266130394 /nfs/dbraw/zinc/13/03/94/1266130394.db2.gz RCYXOLMOZCHIMH-ZDUSSCGKSA-N 1 0 343.383 2.813 10 5 EFBERO CN1C[C@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000922489966 1266132372 /nfs/dbraw/zinc/13/23/72/1266132372.db2.gz USTDABNRKQKQLU-CYBMUJFWSA-N 1 0 343.383 2.813 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000923328621 1261465030 /nfs/dbraw/zinc/46/50/30/1261465030.db2.gz AVPNQZRIRMFLRL-CYBMUJFWSA-N 1 0 340.221 2.684 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382796 1261581173 /nfs/dbraw/zinc/58/11/73/1261581173.db2.gz UYMBLDCDSIAZGY-UHFFFAOYSA-N 1 0 340.221 2.685 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000923417057 1261616945 /nfs/dbraw/zinc/61/69/45/1261616945.db2.gz TUXSLGATQOIENN-UONOGXRCSA-N 1 0 340.221 2.684 10 5 EFBERO [NH3+]C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923427729 1261635637 /nfs/dbraw/zinc/63/56/37/1261635637.db2.gz VCJRMAVNHXDWDQ-RDTXWAMCSA-N 1 0 327.384 2.581 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn(CCF)c3)c2c1 ZINC000922133086 1264477522 /nfs/dbraw/zinc/47/75/22/1264477522.db2.gz AKHPEQMTDQTVRG-UHFFFAOYSA-N 1 0 331.351 2.574 10 5 EFBERO Cc1cc(F)cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000922173763 1264750000 /nfs/dbraw/zinc/75/00/00/1264750000.db2.gz MARCYVFFLMMOBM-UHFFFAOYSA-N 1 0 335.379 2.743 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccsc1 ZINC001273249758 1264839732 /nfs/dbraw/zinc/83/97/32/1264839732.db2.gz WJJHZNSVIGFTHA-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733329412 1265172279 /nfs/dbraw/zinc/17/22/79/1265172279.db2.gz SOOPTMODLYQTGO-QGZVFWFLSA-N 1 0 333.432 2.636 10 5 EFBERO Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733329411 1265173059 /nfs/dbraw/zinc/17/30/59/1265173059.db2.gz SOOPTMODLYQTGO-KRWDZBQOSA-N 1 0 333.432 2.636 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000823391918 1265329495 /nfs/dbraw/zinc/32/94/95/1265329495.db2.gz FWCQBXSLKYXIGI-HUUCEWRRSA-N 1 0 347.415 2.596 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001273078090 1267445290 /nfs/dbraw/zinc/44/52/90/1267445290.db2.gz YVXKEPHTSIOXBL-UHFFFAOYSA-N 1 0 348.428 2.735 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000742412366 1270039316 /nfs/dbraw/zinc/03/93/16/1270039316.db2.gz PUNJFXNVONRXBM-OJWNKBRNSA-N 1 0 333.388 2.676 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000825445059 1278550351 /nfs/dbraw/zinc/55/03/51/1278550351.db2.gz UVRKJRIVCSZDLL-UHFFFAOYSA-N 1 0 325.796 2.723 10 5 EFBERO Cc1ccccc1[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406295 1271030710 /nfs/dbraw/zinc/03/07/10/1271030710.db2.gz BIVQVQOLWIZYJK-PBHICJAKSA-N 1 0 342.399 2.518 10 5 EFBERO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000785576040 1275132567 /nfs/dbraw/zinc/13/25/67/1275132567.db2.gz YWBSGCUMWCTKLW-SGTLLEGYSA-N 1 0 344.367 2.844 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1F ZINC000788307484 1276122480 /nfs/dbraw/zinc/12/24/80/1276122480.db2.gz BGTUIQCRLTUWFT-UHFFFAOYSA-N 1 0 337.395 2.893 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788469543 1276187684 /nfs/dbraw/zinc/18/76/84/1276187684.db2.gz GASDLDCVYOWRBK-BLLLJJGKSA-N 1 0 330.388 2.825 10 5 EFBERO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983874 1276420376 /nfs/dbraw/zinc/42/03/76/1276420376.db2.gz KGVPGDATZDDWSK-MZTPLVFXSA-N 1 0 344.459 2.981 10 5 EFBERO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819058702 1276585170 /nfs/dbraw/zinc/58/51/70/1276585170.db2.gz GHGOPDXVXAXBOW-FZKQIMNGSA-N 1 0 330.384 2.858 10 5 EFBERO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000819090985 1276601184 /nfs/dbraw/zinc/60/11/84/1276601184.db2.gz AUGRWICGJVFQNO-KRWDZBQOSA-N 1 0 333.363 2.775 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001136188418 1276611347 /nfs/dbraw/zinc/61/13/47/1276611347.db2.gz IPPRFOUZJMZTSK-CYBMUJFWSA-N 1 0 335.404 2.598 10 5 EFBERO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001136224572 1276776143 /nfs/dbraw/zinc/77/61/43/1276776143.db2.gz ABTDGHHQLDQTGZ-LBPRGKRZSA-N 1 0 339.823 2.639 10 5 EFBERO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2)c1 ZINC000789548124 1276803553 /nfs/dbraw/zinc/80/35/53/1276803553.db2.gz ZZUOEAXZCFWJBT-GOSISDBHSA-N 1 0 342.399 2.918 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2ccc([N+](=O)[O-])cc12 ZINC000789566068 1276816355 /nfs/dbraw/zinc/81/63/55/1276816355.db2.gz NVRNKZRREYJJGR-KRWDZBQOSA-N 1 0 330.388 2.713 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001136336088 1277150965 /nfs/dbraw/zinc/15/09/65/1277150965.db2.gz AQXDNHOTDXSSLQ-UHFFFAOYSA-N 1 0 327.384 2.629 10 5 EFBERO C/C(=C\C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000923271060 1277436910 /nfs/dbraw/zinc/43/69/10/1277436910.db2.gz JILLJFXNZZGLFM-HSYXRWIHSA-N 1 0 329.400 2.693 10 5 EFBERO C/C(=C/C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000923271059 1277437781 /nfs/dbraw/zinc/43/77/81/1277437781.db2.gz JILLJFXNZZGLFM-FONJURLJSA-N 1 0 329.400 2.693 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844658452 1279142794 /nfs/dbraw/zinc/14/27/94/1279142794.db2.gz YWRIBNCOAQJNDK-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050202 1280002055 /nfs/dbraw/zinc/00/20/55/1280002055.db2.gz SHXJWNVTJQDVOG-CYBMUJFWSA-N 1 0 335.187 2.533 10 5 EFBERO C[C@H](NC[C@H](O)COc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020234 1287401106 /nfs/dbraw/zinc/40/11/06/1287401106.db2.gz FXVUZJHDARROLF-STQMWFEESA-N 1 0 334.347 2.824 10 5 EFBERO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019575 1287401232 /nfs/dbraw/zinc/40/12/32/1287401232.db2.gz WXIQZYRMUUQPPB-HZSPNIEDSA-N 1 0 339.411 2.884 10 5 EFBERO CC(C)(C)OC(=O)CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323240 1287401660 /nfs/dbraw/zinc/40/16/60/1287401660.db2.gz JSNULTGSYKMECR-KRWDZBQOSA-N 1 0 338.404 2.514 10 5 EFBERO C[C@@H](NC[C@@]1([NH+](C)C)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039481 1287408294 /nfs/dbraw/zinc/40/82/94/1287408294.db2.gz FXCVOCUAFAKCLA-ABAIWWIYSA-N 1 0 327.425 2.822 10 5 EFBERO COCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872073029 1287420109 /nfs/dbraw/zinc/42/01/09/1287420109.db2.gz LRNXZONVWCYFOM-GFCCVEGCSA-N 1 0 326.368 2.828 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000872081757 1287422531 /nfs/dbraw/zinc/42/25/31/1287422531.db2.gz KCJQMUJFHRJIEE-NSHDSACASA-N 1 0 335.433 2.729 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872109756 1287431037 /nfs/dbraw/zinc/43/10/37/1287431037.db2.gz QTJQNVVIWJYBJN-OQUILHJVSA-N 1 0 347.415 2.859 10 5 EFBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872112471 1287432018 /nfs/dbraw/zinc/43/20/18/1287432018.db2.gz BXJPBOHCUVUINB-HOCLYGCPSA-N 1 0 332.400 2.849 10 5 EFBERO CC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846949062 1280652100 /nfs/dbraw/zinc/65/21/00/1280652100.db2.gz GQKVHWLPKSUNEP-UHFFFAOYSA-N 1 0 333.388 2.533 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000846989778 1280675903 /nfs/dbraw/zinc/67/59/03/1280675903.db2.gz USAIIKVCWPXZFW-GRNBYLDVSA-N 1 0 331.416 2.941 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000846988513 1280676137 /nfs/dbraw/zinc/67/61/37/1280676137.db2.gz MHVQWFVVXVZMKD-HECSCLNYSA-N 1 0 331.416 2.941 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805913822 1280867855 /nfs/dbraw/zinc/86/78/55/1280867855.db2.gz RKNZLOLISXZNBJ-UHFFFAOYSA-N 1 0 348.399 2.700 10 5 EFBERO Cc1cc(Cc2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000872174883 1287462489 /nfs/dbraw/zinc/46/24/89/1287462489.db2.gz GWIZKMGEFLMOKD-IYNGYCSASA-N 1 0 328.372 2.890 10 5 EFBERO Cc1c(Cc2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000872176429 1287463642 /nfs/dbraw/zinc/46/36/42/1287463642.db2.gz UKMPDQHMFQETNL-GWJCSSMESA-N 1 0 328.372 2.890 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC000872219879 1287483636 /nfs/dbraw/zinc/48/36/36/1287483636.db2.gz AQFQODOPTZIXIO-KPEUIFRASA-N 1 0 334.416 2.893 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000872223900 1287485603 /nfs/dbraw/zinc/48/56/03/1287485603.db2.gz OXKYWEJQYJQRNV-IAGOWNOFSA-N 1 0 334.416 2.957 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000872232003 1287488506 /nfs/dbraw/zinc/48/85/06/1287488506.db2.gz WSHZABKYKDWAMT-MRXNPFEDSA-N 1 0 330.384 2.741 10 5 EFBERO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872255703 1287505193 /nfs/dbraw/zinc/50/51/93/1287505193.db2.gz CGIJSADUWPXNSM-BBWFWOEESA-N 1 0 334.416 2.845 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000872274032 1287516492 /nfs/dbraw/zinc/51/64/92/1287516492.db2.gz JUWOTZLLXAMCLB-LLVKDONJSA-N 1 0 325.796 2.756 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000872280393 1287518501 /nfs/dbraw/zinc/51/85/01/1287518501.db2.gz RBFCQRLAKAYKMF-MRXNPFEDSA-N 1 0 347.415 2.617 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC001148810031 1281769533 /nfs/dbraw/zinc/76/95/33/1281769533.db2.gz ZHNQUTQEUIFDPR-UHFFFAOYSA-N 1 0 348.447 2.786 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808563285 1281797451 /nfs/dbraw/zinc/79/74/51/1281797451.db2.gz JZPMKBWIOXNLKU-LLVKDONJSA-N 1 0 342.342 2.833 10 5 EFBERO CC1(C)CC[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000872300164 1287529541 /nfs/dbraw/zinc/52/95/41/1287529541.db2.gz HNGAAFQICBJJSM-UHFFFAOYSA-N 1 0 327.384 2.962 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000809709340 1282421047 /nfs/dbraw/zinc/42/10/47/1282421047.db2.gz PYMKHZZFHOIVGU-MRXNPFEDSA-N 1 0 335.404 2.956 10 5 EFBERO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627435 1287645397 /nfs/dbraw/zinc/64/53/97/1287645397.db2.gz APOJCLUUALDCNQ-LLVKDONJSA-N 1 0 329.404 2.640 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000810694014 1283528717 /nfs/dbraw/zinc/52/87/17/1283528717.db2.gz CGHHCQNAZXYTDU-KRWDZBQOSA-N 1 0 338.379 2.893 10 5 EFBERO C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176037889 1287667601 /nfs/dbraw/zinc/66/76/01/1287667601.db2.gz YTQUYCXBABGRCC-ZDUSSCGKSA-N 1 0 338.367 2.656 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000811848666 1284717392 /nfs/dbraw/zinc/71/73/92/1284717392.db2.gz NUCPTBXYNPOOSH-XOVSCCBYSA-N 1 0 335.404 2.922 10 5 EFBERO C[NH+](C)CCCCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747769030 1284905710 /nfs/dbraw/zinc/90/57/10/1284905710.db2.gz PRPBAYWNIDNTNN-UHFFFAOYSA-N 1 0 346.387 2.669 10 5 EFBERO CC(C)c1ccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001134550745 1286902468 /nfs/dbraw/zinc/90/24/68/1286902468.db2.gz MFJHLSHVXSCIGP-KDOFPFPSSA-N 1 0 331.416 2.742 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC001176965206 1288197386 /nfs/dbraw/zinc/19/73/86/1288197386.db2.gz JJAQDOKQJCZFBU-HNNXBMFYSA-N 1 0 335.360 2.942 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822965280 1289168106 /nfs/dbraw/zinc/16/81/06/1289168106.db2.gz HAWVZKVYLQRPRG-CQSZACIVSA-N 1 0 345.374 2.637 10 5 EFBERO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000816845586 1288301214 /nfs/dbraw/zinc/30/12/14/1288301214.db2.gz WETWGSODYYCHCK-LLVKDONJSA-N 1 0 325.796 2.548 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817483043 1288614463 /nfs/dbraw/zinc/61/44/63/1288614463.db2.gz BQZWKBAOXOBPMG-SEYXRHQNSA-N 1 0 331.416 2.987 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000821887573 1288822700 /nfs/dbraw/zinc/82/27/00/1288822700.db2.gz QWDISEUUMHRSBH-GOSISDBHSA-N 1 0 338.367 2.604 10 5 EFBERO C[N@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000823961573 1289491204 /nfs/dbraw/zinc/49/12/04/1289491204.db2.gz HEBRILOSKFLDAI-UHFFFAOYSA-N 1 0 335.408 2.563 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823993970 1289509923 /nfs/dbraw/zinc/50/99/23/1289509923.db2.gz MKLAAERPTUJVOE-RYUDHWBXSA-N 1 0 335.408 2.561 10 5 EFBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000824634881 1289734231 /nfs/dbraw/zinc/73/42/31/1289734231.db2.gz CJUGNNJGESJZSQ-MFKMUULPSA-N 1 0 343.221 2.950 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001186626171 1290987869 /nfs/dbraw/zinc/98/78/69/1290987869.db2.gz FITBTAPOWIWFND-ZDUSSCGKSA-N 1 0 337.420 2.843 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1Br ZINC001186764438 1291015674 /nfs/dbraw/zinc/01/56/74/1291015674.db2.gz RQDRWYVJZYGTBD-NSHDSACASA-N 1 0 328.210 2.888 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534453 1312831773 /nfs/dbraw/zinc/83/17/73/1312831773.db2.gz FVIKBRAAFPVOHS-STQMWFEESA-N 1 0 347.337 2.705 10 5 EFBERO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903539059 1312838368 /nfs/dbraw/zinc/83/83/68/1312838368.db2.gz JCJXMGMEYYHCOB-MNOVXSKESA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903539610 1312838970 /nfs/dbraw/zinc/83/89/70/1312838970.db2.gz PEQCRUQPXQRUFG-QWRGUYRKSA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903539611 1312839455 /nfs/dbraw/zinc/83/94/55/1312839455.db2.gz PEQCRUQPXQRUFG-WDEREUQCSA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+]C[C@H]1Cc2cc(F)ccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000903568934 1312878749 /nfs/dbraw/zinc/87/87/49/1312878749.db2.gz SAFXEXMBJQEHSM-CYBMUJFWSA-N 1 0 345.374 2.750 10 5 EFBERO NC(=O)c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000879669186 1292225727 /nfs/dbraw/zinc/22/57/27/1292225727.db2.gz JSGSBBMDSXSMIX-VXGBXAGGSA-N 1 0 343.305 2.680 10 5 EFBERO O=C(CC[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000880504833 1292521425 /nfs/dbraw/zinc/52/14/25/1292521425.db2.gz ZZBFOKBIAVQPSV-WBVHZDCISA-N 1 0 333.388 2.615 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880508241 1292522162 /nfs/dbraw/zinc/52/21/62/1292522162.db2.gz RLHXLGJSYJCJDN-PBHICJAKSA-N 1 0 333.388 2.533 10 5 EFBERO COC(=O)/C=C\c1ccc(NCCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000775484027 1292669483 /nfs/dbraw/zinc/66/94/83/1292669483.db2.gz ZZNIAUYQKXXKSW-ALCCZGGFSA-N 1 0 344.371 2.870 10 5 EFBERO CC(=O)c1c(NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882265088 1293145974 /nfs/dbraw/zinc/14/59/74/1293145974.db2.gz PPCKDVPRCRHDAT-ZDUSSCGKSA-N 1 0 335.404 2.710 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000882504528 1293229438 /nfs/dbraw/zinc/22/94/38/1293229438.db2.gz ZUSCJISCXUQVSI-UHFFFAOYSA-N 1 0 342.399 2.777 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000882505545 1293229961 /nfs/dbraw/zinc/22/99/61/1293229961.db2.gz LRFTYHGJHHYKAQ-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H](CO)C2CCCCC2)o1 ZINC001193336054 1293259795 /nfs/dbraw/zinc/25/97/95/1293259795.db2.gz KYGUUJWEHLNZSC-AWEZNQCLSA-N 1 0 346.387 2.676 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883297932 1293535043 /nfs/dbraw/zinc/53/50/43/1293535043.db2.gz DDNCRLDRHGXPRO-ISBHARSQSA-N 1 0 338.429 2.555 10 5 EFBERO O=C(CC[NH+]1CCC(c2ncco2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001196788580 1294365335 /nfs/dbraw/zinc/36/53/35/1294365335.db2.gz CSXQDASXJGASBO-UHFFFAOYSA-N 1 0 344.371 2.791 10 5 EFBERO COC1(c2nccn2C)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001197467785 1294559175 /nfs/dbraw/zinc/55/91/75/1294559175.db2.gz GEPPFMQXJYLLDR-UHFFFAOYSA-N 1 0 344.415 2.774 10 5 EFBERO COc1cc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1OC ZINC000886307090 1294837452 /nfs/dbraw/zinc/83/74/52/1294837452.db2.gz JHELVOXWWJFHDD-ZDUSSCGKSA-N 1 0 338.404 2.907 10 5 EFBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001198217744 1294924978 /nfs/dbraw/zinc/92/49/78/1294924978.db2.gz AMDJNEVWZHYCSN-GOSISDBHSA-N 1 0 348.374 2.696 10 5 EFBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001198217745 1294925570 /nfs/dbraw/zinc/92/55/70/1294925570.db2.gz AMDJNEVWZHYCSN-SFHVURJKSA-N 1 0 348.374 2.696 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001198705005 1295217636 /nfs/dbraw/zinc/21/76/36/1295217636.db2.gz GETJHQALYLEMEX-OAHLLOKOSA-N 1 0 333.388 2.533 10 5 EFBERO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887095416 1295275182 /nfs/dbraw/zinc/27/51/82/1295275182.db2.gz LFZUBYGVIYAXGK-MRXNPFEDSA-N 1 0 344.367 2.531 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887925891 1295625942 /nfs/dbraw/zinc/62/59/42/1295625942.db2.gz UDELARZZEWXIPQ-BZNIZROVSA-N 1 0 337.807 2.580 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887936343 1295628917 /nfs/dbraw/zinc/62/89/17/1295628917.db2.gz GBOZOJCDTVEDAO-KUHUBIRLSA-N 1 0 345.443 2.916 10 5 EFBERO C/C(=C\C(=O)N1CCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000889222938 1295707076 /nfs/dbraw/zinc/70/70/76/1295707076.db2.gz GYTJZCQHTXSXTN-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001273844249 1296283166 /nfs/dbraw/zinc/28/31/66/1296283166.db2.gz XOTHMZJNOQXIOK-WAYWQWQTSA-N 1 0 343.383 2.880 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000803854925 1313256003 /nfs/dbraw/zinc/25/60/03/1313256003.db2.gz ATSHTLSFPUPKFY-CQSZACIVSA-N 1 0 336.388 2.781 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000803859939 1313266928 /nfs/dbraw/zinc/26/69/28/1313266928.db2.gz YZEADTBLEYLDGT-CQSZACIVSA-N 1 0 336.388 2.781 10 5 EFBERO C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000925764214 1296877033 /nfs/dbraw/zinc/87/70/33/1296877033.db2.gz XGLFCLGYGIHESS-BXKDBHETSA-N 1 0 328.210 2.587 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041155 1296980628 /nfs/dbraw/zinc/98/06/28/1296980628.db2.gz AETKMFAALSYBQL-YPRXJGMQSA-N 1 0 338.429 2.662 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927110914 1296991787 /nfs/dbraw/zinc/99/17/87/1296991787.db2.gz WDTKBRNVGICMER-YOEHRIQHSA-N 1 0 333.432 2.807 10 5 EFBERO Cc1cccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC000928842155 1297136773 /nfs/dbraw/zinc/13/67/73/1297136773.db2.gz KDUHXADYIJMZGG-MRXNPFEDSA-N 1 0 342.399 2.721 10 5 EFBERO COc1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000776274492 1297338904 /nfs/dbraw/zinc/33/89/04/1297338904.db2.gz DJZNMRHPOVYUDQ-GOSISDBHSA-N 1 0 346.383 2.777 10 5 EFBERO C[C@@](CO)([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000931468790 1297340374 /nfs/dbraw/zinc/34/03/74/1297340374.db2.gz FIZXPHXDZNQNST-PUPMMZHASA-N 1 0 326.343 2.683 10 5 EFBERO CCC1([NH3+])CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903946339 1313466631 /nfs/dbraw/zinc/46/66/31/1313466631.db2.gz ONWWIQKRSPDPJZ-UHFFFAOYSA-N 1 0 343.431 2.699 10 5 EFBERO CCC1([NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000903947007 1313468402 /nfs/dbraw/zinc/46/84/02/1313468402.db2.gz IGDSPRAGPDOZTG-UHFFFAOYSA-N 1 0 329.347 2.900 10 5 EFBERO C[C@@H]1C[NH2+]C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000903967370 1313509813 /nfs/dbraw/zinc/50/98/13/1313509813.db2.gz IQAZSPFBZJAWLW-YPMHNXCESA-N 1 0 332.429 2.663 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000903984359 1313537581 /nfs/dbraw/zinc/53/75/81/1313537581.db2.gz UVBRZSVVTNFJOG-CMPLNLGQSA-N 1 0 337.729 2.960 10 5 EFBERO Cc1ccccc1[C@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000796405325 1299328768 /nfs/dbraw/zinc/32/87/68/1299328768.db2.gz FTKVICVQIBIQSE-GOSISDBHSA-N 1 0 344.415 2.545 10 5 EFBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585845 1299653201 /nfs/dbraw/zinc/65/32/01/1299653201.db2.gz ANCNKVZUMVKQRG-UGSOOPFHSA-N 1 0 330.384 2.897 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1Br ZINC000852581542 1299768735 /nfs/dbraw/zinc/76/87/35/1299768735.db2.gz LJOXIZNJOPTRFP-NWDGAFQWSA-N 1 0 341.205 2.750 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1Br ZINC000852581539 1299769242 /nfs/dbraw/zinc/76/92/42/1299769242.db2.gz LJOXIZNJOPTRFP-NEPJUHHUSA-N 1 0 341.205 2.750 10 5 EFBERO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000776604601 1299777002 /nfs/dbraw/zinc/77/70/02/1299777002.db2.gz CZGFOEPDNAPMAG-CVEARBPZSA-N 1 0 332.404 2.739 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000852760826 1299872497 /nfs/dbraw/zinc/87/24/97/1299872497.db2.gz NHUVGUMXQMKEBH-CQSZACIVSA-N 1 0 341.839 2.791 10 5 EFBERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000852905845 1299933040 /nfs/dbraw/zinc/93/30/40/1299933040.db2.gz FJRZAVDKLNYWBL-GDBMZVCRSA-N 1 0 343.358 2.609 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)c1 ZINC000853023811 1299975719 /nfs/dbraw/zinc/97/57/19/1299975719.db2.gz MOIAWDUCWCBWSJ-UHFFFAOYSA-N 1 0 341.327 2.767 10 5 EFBERO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853964834 1300367465 /nfs/dbraw/zinc/36/74/65/1300367465.db2.gz BRGXFFODRJASGZ-CYBMUJFWSA-N 1 0 341.358 2.568 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000853990309 1300377982 /nfs/dbraw/zinc/37/79/82/1300377982.db2.gz LHLUYWCPORRKCN-CYBMUJFWSA-N 1 0 327.812 2.795 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854735833 1300682803 /nfs/dbraw/zinc/68/28/03/1300682803.db2.gz YBPRCHNHWKQFIA-LBKOFNPBSA-N 1 0 343.427 2.942 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286361 1300888232 /nfs/dbraw/zinc/88/82/32/1300888232.db2.gz PQCUGHOYIDNTJR-FQNOHDAGSA-N 1 0 331.416 2.987 10 5 EFBERO CC(C)[N@H+](C)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000089869435 1300921225 /nfs/dbraw/zinc/92/12/25/1300921225.db2.gz JTMQZCBVIHNGBO-RMKNXTFCSA-N 1 0 331.416 2.939 10 5 EFBERO CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000855489599 1300979466 /nfs/dbraw/zinc/97/94/66/1300979466.db2.gz AVMQIAMYJQAZPT-VSOYFRJCSA-N 1 0 331.416 2.941 10 5 EFBERO COc1cc(C(=O)OCC23CCC[NH+](CCC2)C3)cc([N+](=O)[O-])c1C ZINC000861361385 1302106234 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336.388 2.605 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865844468 1303425975 /nfs/dbraw/zinc/42/59/75/1303425975.db2.gz CDKZPUKHOIGSNM-MDWZMJQESA-N 1 0 327.388 2.752 10 5 EFBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000866051370 1303502543 /nfs/dbraw/zinc/50/25/43/1303502543.db2.gz DTOQLVBJDKZRIW-UHFFFAOYSA-N 1 0 334.376 2.815 10 5 EFBERO C[NH+]1CCC2(CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000866055351 1303504933 /nfs/dbraw/zinc/50/49/33/1303504933.db2.gz UIHJRHOYEGAEGC-UHFFFAOYSA-N 1 0 335.433 2.616 10 5 EFBERO C[NH+]1CCC2(CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866055468 1303505103 /nfs/dbraw/zinc/50/51/03/1303505103.db2.gz WWKZTJWTOUBJHP-UHFFFAOYSA-N 1 0 347.444 2.912 10 5 EFBERO C[NH+](C)C1(C)CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000866147352 1303542380 /nfs/dbraw/zinc/54/23/80/1303542380.db2.gz NUZUHKYZDVYPIT-UHFFFAOYSA-N 1 0 325.384 2.901 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866204682 1303561917 /nfs/dbraw/zinc/56/19/17/1303561917.db2.gz FZRYMSIREMVJBR-CMPLNLGQSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000866206989 1303562574 /nfs/dbraw/zinc/56/25/74/1303562574.db2.gz GYRYZWXDNLKYNF-SKDRFNHKSA-N 1 0 330.310 2.539 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000866206987 1303563125 /nfs/dbraw/zinc/56/31/25/1303563125.db2.gz GYRYZWXDNLKYNF-CABZTGNLSA-N 1 0 330.310 2.539 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000866444313 1303643985 /nfs/dbraw/zinc/64/39/85/1303643985.db2.gz FHVSZYINJJHTSD-UPHDCGPKSA-N 1 0 328.412 2.929 10 5 EFBERO C[C@]([NH3+])(C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867982274 1304057079 /nfs/dbraw/zinc/05/70/79/1304057079.db2.gz NWYXVGMGCISCRW-ZNMIVQPWSA-N 1 0 343.786 2.590 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000868074707 1304111348 /nfs/dbraw/zinc/11/13/48/1304111348.db2.gz QDSBACSCUKBXPW-UHFFFAOYSA-N 1 0 334.420 2.657 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000868373662 1304266098 /nfs/dbraw/zinc/26/60/98/1304266098.db2.gz ISNSRTBXWYZXKS-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000868430395 1304292693 /nfs/dbraw/zinc/29/26/93/1304292693.db2.gz PJFWTILBSDYQNU-GJZGRUSLSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1cc(C)c(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000868686145 1304420376 /nfs/dbraw/zinc/42/03/76/1304420376.db2.gz PKDULFOKDKGKQJ-UHFFFAOYSA-N 1 0 328.372 2.914 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000868758105 1304458382 /nfs/dbraw/zinc/45/83/82/1304458382.db2.gz LVNKCDRKTJDNQJ-AWEZNQCLSA-N 1 0 334.420 2.575 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053149 1304591916 /nfs/dbraw/zinc/59/19/16/1304591916.db2.gz IVXIYOLWPFOEHT-MRXNPFEDSA-N 1 0 348.447 2.777 10 5 EFBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000869396932 1304758482 /nfs/dbraw/zinc/75/84/82/1304758482.db2.gz CNFSDNKPMBQUSY-OAHLLOKOSA-N 1 0 349.406 2.800 10 5 EFBERO C[N@@H+]1CC[C@H](CCOC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870456977 1305332111 /nfs/dbraw/zinc/33/21/11/1305332111.db2.gz DFHKQPLINNTYRO-CQSZACIVSA-N 1 0 332.400 2.902 10 5 EFBERO O=C(CCC12CC(C1)C[NH2+]2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000870891727 1305661074 /nfs/dbraw/zinc/66/10/74/1305661074.db2.gz JOVRXINOOQYURK-UHFFFAOYSA-N 1 0 331.416 2.566 10 5 EFBERO C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871148941 1305836033 /nfs/dbraw/zinc/83/60/33/1305836033.db2.gz AIRBEZROCLJIEI-UHFFFAOYSA-N 1 0 337.445 2.630 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000871356501 1306016212 /nfs/dbraw/zinc/01/62/12/1306016212.db2.gz PJKXJZIPCUKWGQ-UHFFFAOYSA-N 1 0 348.447 2.776 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901017057 1309202344 /nfs/dbraw/zinc/20/23/44/1309202344.db2.gz PQKPFYWIUAPALB-IUODEOHRSA-N 1 0 337.807 2.881 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000749441692 1311029482 /nfs/dbraw/zinc/02/94/82/1311029482.db2.gz GZKIGGOFHHDTJI-HEWZJLJBSA-N 1 0 347.415 2.925 10 5 EFBERO C/C(=C/C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752123860 1311146033 /nfs/dbraw/zinc/14/60/33/1311146033.db2.gz QJCFKGOUTOLXKW-DDKJEQMHSA-N 1 0 329.400 2.599 10 5 EFBERO C/C(=C/C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752123862 1311146077 /nfs/dbraw/zinc/14/60/77/1311146077.db2.gz QJCFKGOUTOLXKW-IVOILVROSA-N 1 0 329.400 2.599 10 5 EFBERO O=C(CCC(F)F)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001277014524 1311464515 /nfs/dbraw/zinc/46/45/15/1311464515.db2.gz PXZPDYKSLKFKRT-HOMQSWHASA-N 1 0 347.387 2.686 10 5 EFBERO CCc1occc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277047807 1311529697 /nfs/dbraw/zinc/52/96/97/1311529697.db2.gz FHEOQTBMSVTFLJ-UHFFFAOYSA-N 1 0 343.383 2.802 10 5 EFBERO COC(=O)Cc1ccc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001163459874 1312317158 /nfs/dbraw/zinc/31/71/58/1312317158.db2.gz UAGITMHMTZDZEF-UHFFFAOYSA-N 1 0 340.339 2.570 10 5 EFBERO COc1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1OC ZINC001163721672 1312372011 /nfs/dbraw/zinc/37/20/11/1312372011.db2.gz NFRIBGYNTVXRHI-CVEARBPZSA-N 1 0 335.404 2.897 10 5 EFBERO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC001163926057 1312408664 /nfs/dbraw/zinc/40/86/64/1312408664.db2.gz YWLRZBWPZXREJW-JCVNQNCUSA-N 1 0 331.416 2.797 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001164349680 1312497058 /nfs/dbraw/zinc/49/70/58/1312497058.db2.gz DRMGUIOJIVMKOV-UHFFFAOYSA-N 1 0 337.395 2.551 10 5 EFBERO NC(=O)CC1CC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000903260256 1312515309 /nfs/dbraw/zinc/51/53/09/1312515309.db2.gz MZVYYRGLJJFFPG-FQSHHYAASA-N 1 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CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262377000 1316464932 /nfs/dbraw/zinc/46/49/32/1316464932.db2.gz JCKRQRUMTVJJLD-SOUVJXGZSA-N 1 0 331.416 2.964 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001264012305 1316580152 /nfs/dbraw/zinc/58/01/52/1316580152.db2.gz LGLCTQZLDIRKCC-GFCCVEGCSA-N 1 0 337.420 2.762 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001264430553 1316616140 /nfs/dbraw/zinc/61/61/40/1316616140.db2.gz FSLJDJCFQLPFHI-MQMHXKEQSA-N 1 0 349.456 2.997 10 5 EFBERO Cc1cnccc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001264983773 1316679380 /nfs/dbraw/zinc/67/93/80/1316679380.db2.gz MVFBOLCAVDPIAU-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265529161 1316821510 /nfs/dbraw/zinc/82/15/10/1316821510.db2.gz SHWQQJWRZFDRDG-GASCZTMLSA-N 1 0 343.383 2.557 10 5 EFBERO Cc1ncccc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001265911857 1316910906 /nfs/dbraw/zinc/91/09/06/1316910906.db2.gz HNCJYWWAAQOHGH-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(F)(F)C(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001266117107 1317063065 /nfs/dbraw/zinc/06/30/65/1317063065.db2.gz SADQOCVKNZHWGN-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO O=C(CCCF)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001318966462 1328752171 /nfs/dbraw/zinc/75/21/71/1328752171.db2.gz TWDFAGUUWVBPEL-SHTZXODSSA-N 1 0 337.395 2.862 10 5 EFBERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001292323649 1322054466 /nfs/dbraw/zinc/05/44/66/1322054466.db2.gz CVFSCUCDNQXIJV-CQSZACIVSA-N 1 0 334.420 2.683 10 5 EFBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296232828 1322871158 /nfs/dbraw/zinc/87/11/58/1322871158.db2.gz WTRUDDPEZGVQDO-QWHCGFSZSA-N 1 0 346.431 2.560 10 5 EFBERO C[N@H+](CCNC(=O)c1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492186549 1324369749 /nfs/dbraw/zinc/36/97/49/1324369749.db2.gz BUGBHINPEIKRET-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC001492250354 1324378521 /nfs/dbraw/zinc/37/85/21/1324378521.db2.gz UBKOAHDCCFCYNG-QZTJIDSGSA-N 1 0 345.443 2.557 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C12CCC2 ZINC001301549584 1324548703 /nfs/dbraw/zinc/54/87/03/1324548703.db2.gz VFLVUBWKCKULEK-KGLIPLIRSA-N 1 0 337.807 2.851 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C(C)(C)C1 ZINC001304042398 1324634413 /nfs/dbraw/zinc/63/44/13/1324634413.db2.gz IGXYIOFHEYDSBQ-AWEZNQCLSA-N 1 0 337.445 2.777 10 5 EFBERO Cc1cc(F)ccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317467697 1324727847 /nfs/dbraw/zinc/72/78/47/1324727847.db2.gz JDAIAYFBABWUPS-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@H+](CC)[C@H](C)C2)cc1C ZINC001307071084 1324739334 /nfs/dbraw/zinc/73/93/34/1324739334.db2.gz APGZCIGNDYHKGK-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+]2CCCO)cccc1C(F)(F)F ZINC001307125648 1324743283 /nfs/dbraw/zinc/74/32/83/1324743283.db2.gz ONNKOTWHQKNEIM-LLVKDONJSA-N 1 0 347.337 2.872 10 5 EFBERO C[N@@H+]1CCC[C@@H](CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001307138261 1324743606 /nfs/dbraw/zinc/74/36/06/1324743606.db2.gz ZKCYOIAONIAYBK-LBPRGKRZSA-N 1 0 332.379 2.848 10 5 EFBERO CC[C@@H](c1ccccc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001307497090 1324770987 /nfs/dbraw/zinc/77/09/87/1324770987.db2.gz CUVCPBCDFHIXPU-KRWDZBQOSA-N 1 0 343.431 2.560 10 5 EFBERO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001307780947 1324779212 /nfs/dbraw/zinc/77/92/12/1324779212.db2.gz YIIWIZVXOCOERB-DYVFJYSZSA-N 1 0 346.387 2.938 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001308026056 1324790380 /nfs/dbraw/zinc/79/03/80/1324790380.db2.gz HSBZDBRLRSEUDP-AWEZNQCLSA-N 1 0 343.387 2.553 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001317102761 1325570738 /nfs/dbraw/zinc/57/07/38/1325570738.db2.gz SHUHUMYZSITZMN-GASCZTMLSA-N 1 0 343.383 2.557 10 5 EFBERO Cc1sccc1CC(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001317463714 1328051292 /nfs/dbraw/zinc/05/12/92/1328051292.db2.gz LEQMZMFNYZRVIL-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC001317544249 1328128746 /nfs/dbraw/zinc/12/87/46/1328128746.db2.gz CENSVFNOMFQNGS-UHFFFAOYSA-N 1 0 329.356 2.582 10 5 EFBERO CCC[N@H+](CCNC(=O)c1conc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317547989 1328132571 /nfs/dbraw/zinc/13/25/71/1328132571.db2.gz RKTNOOIHKFCGBX-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCC(F)(F)F ZINC001317578366 1328158932 /nfs/dbraw/zinc/15/89/32/1328158932.db2.gz MOEOYEJCEDPVND-UHFFFAOYSA-N 1 0 339.339 2.547 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCC(C)(F)F ZINC001317602331 1328183182 /nfs/dbraw/zinc/18/31/82/1328183182.db2.gz UDFOOUZYLWKQOE-UHFFFAOYSA-N 1 0 335.376 2.640 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C1CC1)C1CC1 ZINC001317648415 1328235155 /nfs/dbraw/zinc/23/51/55/1328235155.db2.gz KWGRNYZCWQFSJW-UHFFFAOYSA-N 1 0 331.416 2.579 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC=CCC1 ZINC001317663750 1328255414 /nfs/dbraw/zinc/25/54/14/1328255414.db2.gz LMRVNENQQIWSGA-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(CF)CCC1 ZINC001322701336 1329480922 /nfs/dbraw/zinc/48/09/22/1329480922.db2.gz WMLJNZLDAAMNEX-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO CC(C)(C)/C=C/C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323405920 1329541082 /nfs/dbraw/zinc/54/10/82/1329541082.db2.gz MKMLRSOEUQUYQZ-CMDGGOBGSA-N 1 0 331.416 2.936 10 5 EFBERO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001323826244 1329575646 /nfs/dbraw/zinc/57/56/46/1329575646.db2.gz VUFOTBIMRCEREL-HZPDHXFCSA-N 1 0 337.464 2.546 10 5 EFBERO C[NH+](C)C[C@@H]1CCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001324251696 1329611308 /nfs/dbraw/zinc/61/13/08/1329611308.db2.gz QRTVLVUQGUKLNC-JTQLQIEISA-N 1 0 335.795 2.722 10 5 EFBERO CC1(C(N)=O)C[NH+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001326338678 1329748669 /nfs/dbraw/zinc/74/86/69/1329748669.db2.gz JDLCRSNIUZOHGE-UHFFFAOYSA-N 1 0 349.774 2.815 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1ccoc1 ZINC001326786741 1330364002 /nfs/dbraw/zinc/36/40/02/1330364002.db2.gz HOXRMJGELHIYJF-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO O=C(CCC(F)F)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001326855629 1330374261 /nfs/dbraw/zinc/37/42/61/1330374261.db2.gz LNKASVYLDJZXBD-UHFFFAOYSA-N 1 0 347.387 2.830 10 5 EFBERO CCCCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001327617649 1330501389 /nfs/dbraw/zinc/50/13/89/1330501389.db2.gz YBTFXMXTDJDDHT-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329258979 1330687189 /nfs/dbraw/zinc/68/71/89/1330687189.db2.gz YQIGDYKGYQNIPY-UHFFFAOYSA-N 1 0 327.384 2.964 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001329748438 1330733359 /nfs/dbraw/zinc/73/33/59/1330733359.db2.gz KGFFUJNMDIAPTP-YGRLFVJLSA-N 1 0 347.806 2.722 10 5 EFBERO CCOCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001329798956 1330738162 /nfs/dbraw/zinc/73/81/62/1330738162.db2.gz GUCWVDQZCIFSIL-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1C[NH+]2CCC1CC2 ZINC001331589287 1330856796 /nfs/dbraw/zinc/85/67/96/1330856796.db2.gz VCRASNZSWBPQLS-GOSISDBHSA-N 1 0 339.395 2.914 10 5 EFBERO CC[NH+](CC)C1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC001331954753 1330896457 /nfs/dbraw/zinc/89/64/57/1330896457.db2.gz OCPLUNLPHNHERK-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001333027842 1331069164 /nfs/dbraw/zinc/06/91/64/1331069164.db2.gz AXQMZQDMHGFGRD-ZANVPECISA-N 1 0 329.194 2.872 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)n1 ZINC001333037864 1331070626 /nfs/dbraw/zinc/07/06/26/1331070626.db2.gz PTMZKFNDEDNFFX-OAHLLOKOSA-N 1 0 334.420 2.920 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001333447559 1331145625 /nfs/dbraw/zinc/14/56/25/1331145625.db2.gz DABODMNOIIXVII-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001341392955 1332256727 /nfs/dbraw/zinc/25/67/27/1332256727.db2.gz NJSDEHPPNXXSSQ-VXGBXAGGSA-N 1 0 348.325 2.538 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001347662757 1332764475 /nfs/dbraw/zinc/76/44/75/1332764475.db2.gz ZAZHDXSQBGFGIH-CYBMUJFWSA-N 1 0 344.415 2.993 10 5 EFBERO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001347813899 1332775366 /nfs/dbraw/zinc/77/53/66/1332775366.db2.gz OASNNOVJYSXNHL-AWEZNQCLSA-N 1 0 331.416 2.613 10 5 EFBERO Cc1c(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001349371814 1332944717 /nfs/dbraw/zinc/94/47/17/1332944717.db2.gz FZURJRFPDCBJHT-CYBMUJFWSA-N 1 0 331.416 2.992 10 5 EFBERO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001349859992 1333005847 /nfs/dbraw/zinc/00/58/47/1333005847.db2.gz PBVVQAOWSOSXET-NEPJUHHUSA-N 1 0 336.392 2.550 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001349960590 1333019025 /nfs/dbraw/zinc/01/90/25/1333019025.db2.gz SWEXQLNIGDSUIY-UPJWGTAASA-N 1 0 332.404 2.695 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](CCF)C3)n2)cc1 ZINC001350479672 1333087285 /nfs/dbraw/zinc/08/72/85/1333087285.db2.gz JBAPIPRJVPIROR-CYBMUJFWSA-N 1 0 333.367 2.882 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](CCF)C3)n2)cc1 ZINC001350479673 1333087668 /nfs/dbraw/zinc/08/76/68/1333087668.db2.gz JBAPIPRJVPIROR-ZDUSSCGKSA-N 1 0 333.367 2.882 10 5 EFBERO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001352028490 1333358793 /nfs/dbraw/zinc/35/87/93/1333358793.db2.gz GAVHRJCJUNJTFI-NSHDSACASA-N 1 0 340.763 2.605 10 5 EFBERO CC[NH+](CC)CC[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001354441747 1334304563 /nfs/dbraw/zinc/30/45/63/1334304563.db2.gz HBPINZAAOVZYGS-JTQLQIEISA-N 1 0 349.478 2.592 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC001354483909 1334325661 /nfs/dbraw/zinc/32/56/61/1334325661.db2.gz GEHCGRLBSAHTLH-UONOGXRCSA-N 1 0 349.431 2.580 10 5 EFBERO CC(C)([C@H](NCC[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001354584227 1334389497 /nfs/dbraw/zinc/38/94/97/1334389497.db2.gz LEEMIHNHAFHGPW-OAHLLOKOSA-N 1 0 327.375 2.747 10 5 EFBERO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001354808497 1334532293 /nfs/dbraw/zinc/53/22/93/1334532293.db2.gz WRPPSCLAWGIZPZ-ZDUSSCGKSA-N 1 0 335.379 2.728 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000848369163 1334697721 /nfs/dbraw/zinc/69/77/21/1334697721.db2.gz CMYOILHYICKBQN-SYCZXOQXSA-N 1 0 331.416 2.987 10 5 EFBERO CC[C@@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475116 1334734944 /nfs/dbraw/zinc/73/49/44/1334734944.db2.gz LYKNPIFZFDAOLU-RHSMWYFYSA-N 1 0 331.416 2.990 10 5 EFBERO CC[C@@H]1[C@@H](C)CC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483881 1334740822 /nfs/dbraw/zinc/74/08/22/1334740822.db2.gz AWRBDYOZZYYZMW-IAOVAPTHSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@H]1CC(C)(C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489496 1334746144 /nfs/dbraw/zinc/74/61/44/1334746144.db2.gz VNEFHGOTMQMLLZ-XJKSGUPXSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578722 1334805613 /nfs/dbraw/zinc/80/56/13/1334805613.db2.gz ZSDLRTHVYPXIJG-JQPKSGMCSA-N 1 0 331.372 2.571 10 5 EFBERO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535673 1335049828 /nfs/dbraw/zinc/04/98/28/1335049828.db2.gz VKTFWVNCXWYDAH-DLBZAZTESA-N 1 0 334.347 2.745 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NCCc1cccs1 ZINC000849066499 1335066721 /nfs/dbraw/zinc/06/67/21/1335066721.db2.gz YEYGSXQAUDLTHS-UHFFFAOYSA-N 1 0 334.401 2.522 10 5 EFBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc2c[nH+]cn2c1 ZINC001436629064 1387270917 /nfs/dbraw/zinc/27/09/17/1387270917.db2.gz VKUXFQXSQQYUCB-UHFFFAOYSA-N 1 0 349.350 2.583 10 5 EFBERO Cc1ccc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001492873856 1360648308 /nfs/dbraw/zinc/64/83/08/1360648308.db2.gz WQMBYCZHFHRRJJ-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO Cc1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001454576730 1393062210 /nfs/dbraw/zinc/06/22/10/1393062210.db2.gz JODRQAPCWDKBEI-KRWDZBQOSA-N 1 0 339.395 2.560 10 5 EFBERO CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001454874764 1394336464 /nfs/dbraw/zinc/33/64/64/1394336464.db2.gz IWPMJXVIKQVUCR-MRXNPFEDSA-N 1 0 329.331 2.650 10 5 EFBERO CCC[N@H+](CC)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001458224636 1395427260 /nfs/dbraw/zinc/42/72/60/1395427260.db2.gz ZMVDYDNUUVXRQU-VQHVLOKHSA-N 1 0 335.404 2.925 10 5 EFBERO CCC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC001458278094 1395437564 /nfs/dbraw/zinc/43/75/64/1395437564.db2.gz OZIJEHRBDYXNCW-MRXNPFEDSA-N 1 0 343.431 2.819 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1(C)C ZINC001458449830 1395471041 /nfs/dbraw/zinc/47/10/41/1395471041.db2.gz FWRABMUJVOSAPY-GHMZBOCLSA-N 1 0 343.225 2.893 10 5 EFBERO CCO[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+](C)C ZINC001458590795 1395513510 /nfs/dbraw/zinc/51/35/10/1395513510.db2.gz HMOZUOCFMVQQST-LLVKDONJSA-N 1 0 335.326 2.992 10 5 EFBERO O=[N+]([O-])c1cc(Cl)c(N2CC([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC001458589613 1395513831 /nfs/dbraw/zinc/51/38/31/1395513831.db2.gz DIBSVGMOXNQXES-UHFFFAOYSA-N 1 0 346.214 2.859 10 5 EFBERO CC(C)Oc1nc(N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001458627402 1395526652 /nfs/dbraw/zinc/52/66/52/1395526652.db2.gz CPIXJFUTRYIXHV-OAHLLOKOSA-N 1 0 342.399 2.928 10 5 EFBERO CC(C)OC(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001460311681 1396024452 /nfs/dbraw/zinc/02/44/52/1396024452.db2.gz SFHZZLOJGKITQD-AWEZNQCLSA-N 1 0 338.404 2.930 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001460669870 1396241008 /nfs/dbraw/zinc/24/10/08/1396241008.db2.gz XYOCMKBNIWQQFL-UHFFFAOYSA-N 1 0 337.420 2.761 10 5 EFBERO O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001460751660 1396250861 /nfs/dbraw/zinc/25/08/61/1396250861.db2.gz ALTCUBVBWLVKMP-UHFFFAOYSA-N 1 0 342.380 2.651 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001460949030 1396273170 /nfs/dbraw/zinc/27/31/70/1396273170.db2.gz SVXSCJIZQXVCRQ-INIZCTEOSA-N 1 0 347.415 2.923 10 5 EFBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001463832815 1396524065 /nfs/dbraw/zinc/52/40/65/1396524065.db2.gz AFTJULQOXKRVLE-UHFFFAOYSA-N 1 0 344.371 2.621 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001463952171 1396533633 /nfs/dbraw/zinc/53/36/33/1396533633.db2.gz YCXQDCFZMFIJPW-UHFFFAOYSA-N 1 0 339.395 2.902 10 5 EFBERO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC001464792024 1396606846 /nfs/dbraw/zinc/60/68/46/1396606846.db2.gz PALSSGGIXZNCSA-NSHDSACASA-N 1 0 342.399 2.543 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465602894 1396695697 /nfs/dbraw/zinc/69/56/97/1396695697.db2.gz OCBBPLBXMQOQID-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001467889098 1396906691 /nfs/dbraw/zinc/90/66/91/1396906691.db2.gz NQRCJIBPXNZUMN-MRXNPFEDSA-N 1 0 333.432 2.716 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001468692098 1396980259 /nfs/dbraw/zinc/98/02/59/1396980259.db2.gz BUWYAQUEFHDQFE-JTQLQIEISA-N 1 0 342.827 2.681 10 5 EFBERO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC001473797405 1397332732 /nfs/dbraw/zinc/33/27/32/1397332732.db2.gz MWGUECARVBLTMV-ZDUSSCGKSA-N 1 0 343.431 2.920 10 5 EFBERO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccc2c(c1)OCO2 ZINC001473802697 1397334106 /nfs/dbraw/zinc/33/41/06/1397334106.db2.gz UWNIRKSFLAWHSA-UHFFFAOYSA-N 1 0 344.367 2.877 10 5 EFBERO CCc1[nH]ccc1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479768718 1397831725 /nfs/dbraw/zinc/83/17/25/1397831725.db2.gz KEQMGBRMWWLQRX-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO CC[N@H+](CCCNC(=O)C1CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479840779 1397938876 /nfs/dbraw/zinc/93/88/76/1397938876.db2.gz GVWJQYJAMQFLHV-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC(C)=CC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001479882372 1397998365 /nfs/dbraw/zinc/99/83/65/1397998365.db2.gz QLFQIMFELWNEPK-UHFFFAOYSA-N 1 0 331.416 2.984 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001493796464 1398889719 /nfs/dbraw/zinc/88/97/19/1398889719.db2.gz JFZYBBCBOKVKTF-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC001495915061 1400352479 /nfs/dbraw/zinc/35/24/79/1400352479.db2.gz ONINNAIVUXEBDQ-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO O=C(NCC1([NH2+]CCCC2CCCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495917642 1400354432 /nfs/dbraw/zinc/35/44/32/1400354432.db2.gz RTQUCEUOBMUQRF-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c1 ZINC001507788115 1407159797 /nfs/dbraw/zinc/15/97/97/1407159797.db2.gz PIQGENVLGGGDDB-QZTJIDSGSA-N 1 0 347.459 2.637 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001497342383 1401316214 /nfs/dbraw/zinc/31/62/14/1401316214.db2.gz VBAZDDKJRYYIET-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(C)c1 ZINC001497468915 1401398073 /nfs/dbraw/zinc/39/80/73/1401398073.db2.gz URJVRLGMAWTEEV-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(C)c1 ZINC001497468101 1401398209 /nfs/dbraw/zinc/39/82/09/1401398209.db2.gz HJDDJQLEXBVGKZ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)c[nH]1 ZINC001497525198 1401435752 /nfs/dbraw/zinc/43/57/52/1401435752.db2.gz ZLIBGKIEIHHSNJ-UPHRSURJSA-N 1 0 348.790 2.652 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001497576860 1401467129 /nfs/dbraw/zinc/46/71/29/1401467129.db2.gz VMWHJNDTEKNXIT-ARJAWSKDSA-N 1 0 331.416 2.793 10 5 EFBERO Cc1coc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001497658532 1401528025 /nfs/dbraw/zinc/52/80/25/1401528025.db2.gz YHPLXGAMLNHANN-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO CCn1cccc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001498652817 1402227816 /nfs/dbraw/zinc/22/78/16/1402227816.db2.gz FZFWXLVSDDHUQV-UHFFFAOYSA-N 1 0 344.415 2.668 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001499148377 1402497699 /nfs/dbraw/zinc/49/76/99/1402497699.db2.gz GBRBKJKOPIEFLY-UHFFFAOYSA-N 1 0 325.368 2.647 10 5 EFBERO CC(F)(F)C(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001499965505 1402872256 /nfs/dbraw/zinc/87/22/56/1402872256.db2.gz PSNKJUICFZTAIX-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO CC1(CNC(=O)C(F)F)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001500408432 1403103872 /nfs/dbraw/zinc/10/38/72/1403103872.db2.gz OGURIDOTKUKFMN-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO C/C=C(/C)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508200241 1407340699 /nfs/dbraw/zinc/34/06/99/1407340699.db2.gz KBMGLCQLTXZJFN-BNNQUZSASA-N 1 0 329.400 2.809 10 5 EFBERO O=C(C=C1CCC1)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508202674 1407343892 /nfs/dbraw/zinc/34/38/92/1407343892.db2.gz UNYANGCGKFIICZ-UHFFFAOYSA-N 1 0 341.411 2.953 10 5 EFBERO Cc1cc(C)c(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001502192866 1404075214 /nfs/dbraw/zinc/07/52/14/1404075214.db2.gz HREQSSVGFLOWCI-SJLPKXTDSA-N 1 0 347.459 2.557 10 5 EFBERO CC1(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001565869188 1415109212 /nfs/dbraw/zinc/10/92/12/1415109212.db2.gz BOORSVHWBULZPO-CTYIDZIISA-N 1 0 331.416 2.769 10 5 EFBERO Cc1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)c(N)c1[N+](=O)[O-] ZINC001558676582 1415193899 /nfs/dbraw/zinc/19/38/99/1415193899.db2.gz HKJAZFXMHBZXJV-UHFFFAOYSA-N 1 0 334.420 2.792 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCCC[NH+]2CCCC2)cc1C ZINC001559055794 1415221342 /nfs/dbraw/zinc/22/13/42/1415221342.db2.gz DIPBRKQSMIAZIN-UHFFFAOYSA-N 1 0 335.404 2.978 10 5 EFBERO COCC[N@H+](C)CCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001559068339 1415222568 /nfs/dbraw/zinc/22/25/68/1415222568.db2.gz XWIAJWPBSCRIPK-UHFFFAOYSA-N 1 0 335.326 2.994 10 5 EFBERO CCC[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001559150659 1415226360 /nfs/dbraw/zinc/22/63/60/1415226360.db2.gz FVGYRFXLSKGQHA-INIZCTEOSA-N 1 0 343.431 2.819 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001559244702 1415233443 /nfs/dbraw/zinc/23/34/43/1415233443.db2.gz ZDPQNXYICBAXQG-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC001559304242 1415238796 /nfs/dbraw/zinc/23/87/96/1415238796.db2.gz QGDNSXRTWSZBIH-NWANDNLSSA-N 1 0 347.415 2.832 10 5 EFBERO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC001559510801 1415249413 /nfs/dbraw/zinc/24/94/13/1415249413.db2.gz WSFHBEIBFINUBF-UHFFFAOYSA-N 1 0 336.388 2.769 10 5 EFBERO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)c(C)c1 ZINC001560149412 1415264980 /nfs/dbraw/zinc/26/49/80/1415264980.db2.gz JDLRIUKATLAOQH-UHFFFAOYSA-N 1 0 332.404 2.557 10 5 EFBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001565800018 1415416764 /nfs/dbraw/zinc/41/67/64/1415416764.db2.gz VJRDBSKGDTXUDK-LLVKDONJSA-N 1 0 325.796 2.662 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001567356447 1416087137 /nfs/dbraw/zinc/08/71/37/1416087137.db2.gz WFTFKKHRPCATRR-NSHDSACASA-N 1 0 325.796 2.851 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567423162 1416131344 /nfs/dbraw/zinc/13/13/44/1416131344.db2.gz IUTMJIQMVABDMC-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO O=C(Cc1ccco1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001567451687 1416145411 /nfs/dbraw/zinc/14/54/11/1416145411.db2.gz ARVHKLDWNUELKA-UHFFFAOYSA-N 1 0 343.383 2.511 10 5 EFBERO O=C(CC1CC1)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001567991669 1416352631 /nfs/dbraw/zinc/35/26/31/1416352631.db2.gz FOMBAMFTMHTWEO-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1)C(F)F ZINC001568115896 1416415728 /nfs/dbraw/zinc/41/57/28/1416415728.db2.gz TXZNKLNAHROBNA-UHFFFAOYSA-N 1 0 349.337 2.766 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccsc1 ZINC001568473396 1416540893 /nfs/dbraw/zinc/54/08/93/1416540893.db2.gz YDLKJARGKKRFOF-UHFFFAOYSA-N 1 0 347.440 2.789 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(F)CCCC1 ZINC001699658028 1417441358 /nfs/dbraw/zinc/44/13/58/1417441358.db2.gz XALSEEKUCAQHOC-UHFFFAOYSA-N 1 0 335.379 2.616 10 5 EFBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001715858058 1418689988 /nfs/dbraw/zinc/68/99/88/1418689988.db2.gz AIRVHCWRSPCKML-ARJAWSKDSA-N 1 0 331.416 2.793 10 5 EFBERO CC/C(C)=C\C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001717010188 1419145767 /nfs/dbraw/zinc/14/57/67/1419145767.db2.gz UOOABYHTBKSMNV-SOAPFZLESA-N 1 0 343.427 2.841 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)o1 ZINC001717146272 1419236974 /nfs/dbraw/zinc/23/69/74/1419236974.db2.gz AFQQZDQXRRTBBW-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO CCc1cccc(C[N@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c1 ZINC001717946744 1419623567 /nfs/dbraw/zinc/62/35/67/1419623567.db2.gz DJMHGEAGPXOJBO-QZTJIDSGSA-N 1 0 347.459 2.583 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001722967911 1424388748 /nfs/dbraw/zinc/38/87/48/1424388748.db2.gz USZCRLUVPOFKNS-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1CCCC1 ZINC001724781216 1425009069 /nfs/dbraw/zinc/00/90/69/1425009069.db2.gz YHHXUVVMZQHLGF-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001724848900 1425068656 /nfs/dbraw/zinc/06/86/56/1425068656.db2.gz UWALASONFDFQED-UHFFFAOYSA-N 1 0 347.337 2.828 10 5 EFBERO Cc1cc[nH]c1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001724851312 1425069892 /nfs/dbraw/zinc/06/98/92/1425069892.db2.gz FEFQUMPBPLORHW-UHFFFAOYSA-N 1 0 344.415 2.825 10 5 EFBERO Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001725729538 1425800845 /nfs/dbraw/zinc/80/08/45/1425800845.db2.gz YEOJWXZYURMEFJ-SJLPKXTDSA-N 1 0 347.459 2.637 10 5 EFBERO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000311533893 718751130 /nfs/dbraw/zinc/75/11/30/718751130.db2.gz YOZNASXUQJJONW-GXSJLCMTSA-N 1 0 329.194 2.872 10 5 EFBERO CC[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449127 715519576 /nfs/dbraw/zinc/51/95/76/715519576.db2.gz FMWXASHASQZIMG-CVEARBPZSA-N 1 0 334.420 2.782 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000162167859 716710269 /nfs/dbraw/zinc/71/02/69/716710269.db2.gz CPPIJMKEJRIUEO-DGCLKSJQSA-N 1 0 329.194 2.750 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000311541571 718756670 /nfs/dbraw/zinc/75/66/70/718756670.db2.gz NMXGKBZCGAUXFS-UBHAPETDSA-N 1 0 326.194 2.531 10 5 EFBERO C/C(=C/C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781194 719164635 /nfs/dbraw/zinc/16/46/35/719164635.db2.gz WOPVAVJVBQBYES-LVWOJMJRSA-N 1 0 329.400 2.599 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893016625 719460098 /nfs/dbraw/zinc/46/00/98/719460098.db2.gz ZLQOTMRJZAOUIN-KBPBESRZSA-N 1 0 349.431 2.938 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000893026955 719489776 /nfs/dbraw/zinc/48/97/76/719489776.db2.gz SZGCIDOJZUICMX-ZBFHGGJFSA-N 1 0 333.432 2.859 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000178569566 719748542 /nfs/dbraw/zinc/74/85/42/719748542.db2.gz SKSTVODSRQGUCA-IAQYHMDHSA-N 1 0 330.340 2.708 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000261621450 719771298 /nfs/dbraw/zinc/77/12/98/719771298.db2.gz AAYMVEFZZNXYMO-NQBHXWOUSA-N 1 0 340.221 2.526 10 5 EFBERO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435131 722862321 /nfs/dbraw/zinc/86/23/21/722862321.db2.gz RAKLCNAUDILTST-HQJQHLMTSA-N 1 0 332.187 2.724 10 5 EFBERO CC(C)(O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000721824295 723464152 /nfs/dbraw/zinc/46/41/52/723464152.db2.gz RVOJYALAVGZMOW-NSHDSACASA-N 1 0 343.221 2.950 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000727112255 723819664 /nfs/dbraw/zinc/81/96/64/723819664.db2.gz FFBNTDAJSPPTQK-XOVSCCBYSA-N 1 0 335.404 2.923 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000728199213 723844877 /nfs/dbraw/zinc/84/48/77/723844877.db2.gz PUAPVFLJWRJCBU-VURMDHGXSA-N 1 0 333.388 2.679 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@]2(C)C1 ZINC000896914488 723870840 /nfs/dbraw/zinc/87/08/40/723870840.db2.gz IHQRWGIEQBWTLN-BMIGLBTASA-N 1 0 327.331 2.584 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897021714 723953478 /nfs/dbraw/zinc/95/34/78/723953478.db2.gz ACPVACOPBFGKOT-JZUUQJBKSA-N 1 0 345.399 2.819 10 5 EFBERO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCOC1 ZINC000895664801 724246199 /nfs/dbraw/zinc/24/61/99/724246199.db2.gz WMOACQOBKPGJSZ-WMLDXEAASA-N 1 0 348.447 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@]34CCCO4)CC2)cn1 ZINC000895681824 724259429 /nfs/dbraw/zinc/25/94/29/724259429.db2.gz YMMSNIQGPJEUQQ-AEFFLSMTSA-N 1 0 346.431 2.650 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000895696027 724267319 /nfs/dbraw/zinc/26/73/19/724267319.db2.gz MGRUWYLYOAQZMA-PTNGSMBKSA-N 1 0 332.400 2.880 10 5 EFBERO C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC2(CCC2)C1 ZINC000895821910 724332926 /nfs/dbraw/zinc/33/29/26/724332926.db2.gz LJDZYDPWIPCFCV-ZBCRRDGASA-N 1 0 334.420 2.824 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848559 724349498 /nfs/dbraw/zinc/34/94/98/724349498.db2.gz ZZGSQECGHDXDOL-DOMZBBRYSA-N 1 0 336.388 2.613 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000906797367 726799987 /nfs/dbraw/zinc/79/99/87/726799987.db2.gz HWDZEVCGZYXJPU-YPMHNXCESA-N 1 0 339.823 2.780 10 5 EFBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907204653 726884545 /nfs/dbraw/zinc/88/45/45/726884545.db2.gz FKWCVXCSCDAGBC-VXGBXAGGSA-N 1 0 339.823 2.732 10 5 EFBERO C[NH+](C)CC1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000907964090 727064574 /nfs/dbraw/zinc/06/45/74/727064574.db2.gz OVPRKDKMLBSGFI-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908057131 727080673 /nfs/dbraw/zinc/08/06/73/727080673.db2.gz ZSPLXXKTJOBHNI-WBVHZDCISA-N 1 0 331.416 2.613 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908057128 727080681 /nfs/dbraw/zinc/08/06/81/727080681.db2.gz ZSPLXXKTJOBHNI-DOTOQJQBSA-N 1 0 331.416 2.613 10 5 EFBERO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000908078201 727094630 /nfs/dbraw/zinc/09/46/30/727094630.db2.gz ZOCGYHMEGRLUPT-SFHVURJKSA-N 1 0 349.431 2.678 10 5 EFBERO CC(C)(NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccccc1[N+](=O)[O-] ZINC000908360150 727169360 /nfs/dbraw/zinc/16/93/60/727169360.db2.gz OQGSFUVYKFUSBE-CJNGLKHVSA-N 1 0 331.416 2.963 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000908500113 727197477 /nfs/dbraw/zinc/19/74/77/727197477.db2.gz DHYUATHBRVGPEJ-UHFFFAOYSA-N 1 0 331.416 2.979 10 5 EFBERO CC(C)(C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1CCCCC1 ZINC000911469162 727543050 /nfs/dbraw/zinc/54/30/50/727543050.db2.gz BUMZTRMWZMLHER-UHFFFAOYSA-N 1 0 341.358 2.754 10 5 EFBERO C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1CCCCCC1 ZINC000911475846 727543827 /nfs/dbraw/zinc/54/38/27/727543827.db2.gz LPBSBVVPNMWISM-LLVKDONJSA-N 1 0 341.358 2.754 10 5 EFBERO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+](CC)CC ZINC000911476178 727543932 /nfs/dbraw/zinc/54/39/32/727543932.db2.gz NVXQBTRLSRKILD-ZDUSSCGKSA-N 1 0 329.347 2.610 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912651436 727732578 /nfs/dbraw/zinc/73/25/78/727732578.db2.gz VUSWZWPHVFBHEU-OLZOCXBDSA-N 1 0 334.420 2.512 10 5 EFBERO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912884675 727756917 /nfs/dbraw/zinc/75/69/17/727756917.db2.gz CHZSYIHZINUVBR-UHFFFAOYSA-N 1 0 341.770 2.698 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000917082265 727764618 /nfs/dbraw/zinc/76/46/18/727764618.db2.gz NIZNFXTXGMEJOO-JFOCPDPESA-N 1 0 345.399 2.820 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000917086737 727766974 /nfs/dbraw/zinc/76/69/74/727766974.db2.gz OOLDSNFKIGZOCP-OWNNVSBGSA-N 1 0 347.415 2.925 10 5 EFBERO C[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913280758 727810740 /nfs/dbraw/zinc/81/07/40/727810740.db2.gz GOHJBZJTDVMZIX-JBBXEZCESA-N 1 0 349.406 2.638 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913276308 727812831 /nfs/dbraw/zinc/81/28/31/727812831.db2.gz HUJRKRATIXEKPO-KDURUIRLSA-N 1 0 345.443 2.673 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@@]2(C)C1 ZINC000913275814 727812844 /nfs/dbraw/zinc/81/28/44/727812844.db2.gz DTSSYEQHBKGZAZ-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913281116 727814564 /nfs/dbraw/zinc/81/45/64/727814564.db2.gz LNSLFIOMBDPSEL-FNIJVKBFSA-N 1 0 343.427 2.798 10 5 EFBERO CSc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913293019 727818003 /nfs/dbraw/zinc/81/80/03/727818003.db2.gz HWMUUSACZGXEOJ-IAGOWNOFSA-N 1 0 349.456 2.731 10 5 EFBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1F ZINC000913390238 727827774 /nfs/dbraw/zinc/82/77/74/727827774.db2.gz NTBQMIIUGWVDQV-UHFFFAOYSA-N 1 0 341.358 2.738 10 5 EFBERO C[C@H]1C[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000913385285 727830858 /nfs/dbraw/zinc/83/08/58/727830858.db2.gz WCSJSNJUXQWDOO-ONGXEEELSA-N 1 0 343.786 2.734 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000913400128 727832386 /nfs/dbraw/zinc/83/23/86/727832386.db2.gz FUODALUDRINDQS-UHFFFAOYSA-N 1 0 337.445 2.873 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000230134051 728563415 /nfs/dbraw/zinc/56/34/15/728563415.db2.gz QKGFDWGZTRJASB-SUZMYJTESA-N 1 0 340.221 2.921 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000746674348 1126107078 /nfs/dbraw/zinc/10/70/78/1126107078.db2.gz VFHIAWINBZUKSW-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001569388899 1085169641 /nfs/dbraw/zinc/16/96/41/1085169641.db2.gz NCJQRBOZTPTDGF-UHFFFAOYSA-N 1 0 325.368 2.647 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccsc1 ZINC001569390005 1085172311 /nfs/dbraw/zinc/17/23/11/1085172311.db2.gz XZYOXMNPYWWBPV-UHFFFAOYSA-N 1 0 331.397 2.709 10 5 EFBERO O=C(CCC1CCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569394735 1085176588 /nfs/dbraw/zinc/17/65/88/1085176588.db2.gz PYYTTZXTRAHICK-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(Cc1ccoc1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001570102503 1085950031 /nfs/dbraw/zinc/95/00/31/1085950031.db2.gz GPWZBBVZLRCPSB-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001570113718 1085960119 /nfs/dbraw/zinc/96/01/19/1085960119.db2.gz FJOWYBDNZJALDZ-WDNDVIMCSA-N 1 0 349.456 2.831 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1)C(F)F ZINC001570790365 1086519004 /nfs/dbraw/zinc/51/90/04/1086519004.db2.gz BAISJLGSNCKRDI-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CCC(=O)NC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001571667622 1087032400 /nfs/dbraw/zinc/03/24/00/1087032400.db2.gz QWZNGUSBEULTQA-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001647877862 1089901248 /nfs/dbraw/zinc/90/12/48/1089901248.db2.gz UVQPABYYHCIWAJ-CABCVRRESA-N 1 0 325.453 2.543 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001647877863 1089903259 /nfs/dbraw/zinc/90/32/59/1089903259.db2.gz UVQPABYYHCIWAJ-GJZGRUSLSA-N 1 0 325.453 2.543 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001647977852 1089923542 /nfs/dbraw/zinc/92/35/42/1089923542.db2.gz NPFJEHXKGZIERW-ZBFHGGJFSA-N 1 0 333.432 2.766 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650105 1092244567 /nfs/dbraw/zinc/24/45/67/1092244567.db2.gz UFMNERPAAFIJMG-OLZOCXBDSA-N 1 0 337.445 2.991 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)n1 ZINC001584968678 1092341030 /nfs/dbraw/zinc/34/10/30/1092341030.db2.gz YHXZSVFDZJOCFV-UHFFFAOYSA-N 1 0 334.420 2.635 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC001587271569 1092797775 /nfs/dbraw/zinc/79/77/75/1092797775.db2.gz RNXNZDOXVWWVNL-UHFFFAOYSA-N 1 0 334.420 2.683 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](CC2CC2)CC1 ZINC001650651719 1093479118 /nfs/dbraw/zinc/47/91/18/1093479118.db2.gz VUQITOPSRMNDGZ-UHFFFAOYSA-N 1 0 344.390 2.990 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001650801157 1093495746 /nfs/dbraw/zinc/49/57/46/1093495746.db2.gz IVNGOMLUJDAFHK-STQMWFEESA-N 1 0 335.404 2.975 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001267309986 1093548797 /nfs/dbraw/zinc/54/87/97/1093548797.db2.gz XTLKAOAMSHFLAO-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO Cc1ccoc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267322218 1093573634 /nfs/dbraw/zinc/57/36/34/1093573634.db2.gz VYOYTAFGMQZNIP-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267331577 1093596631 /nfs/dbraw/zinc/59/66/31/1093596631.db2.gz LMLNMVBGINYOGI-ZSHCYNCHSA-N 1 0 343.427 2.722 10 5 EFBERO Cc1ccsc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001267340749 1093619555 /nfs/dbraw/zinc/61/95/55/1093619555.db2.gz KUWKJEYGZSHAPM-UHFFFAOYSA-N 1 0 339.442 2.888 10 5 EFBERO Cc1ccsc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001267340963 1093619897 /nfs/dbraw/zinc/61/98/97/1093619897.db2.gz NUNWDQHVZFHFFY-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO Cc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001267342264 1093623381 /nfs/dbraw/zinc/62/33/81/1093623381.db2.gz PJOXTYUFEMVBGC-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001125747386 1094433635 /nfs/dbraw/zinc/43/36/35/1094433635.db2.gz NNUWCYKBWYRHKE-UHFFFAOYSA-N 1 0 327.275 2.567 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccsc1 ZINC001267383952 1094440631 /nfs/dbraw/zinc/44/06/31/1094440631.db2.gz FYBFMIXRZAEEAM-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CSc1cccc(C(=O)NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001596692844 1094543605 /nfs/dbraw/zinc/54/36/05/1094543605.db2.gz WGBDGRKDQNDBGE-UHFFFAOYSA-N 1 0 342.380 2.894 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(F)CCCCC1 ZINC001267448969 1094544670 /nfs/dbraw/zinc/54/46/70/1094544670.db2.gz SRMCVUCATQHXEP-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[C@@H]3COC[C@H]3C2)c1Br ZINC000690777026 1094571241 /nfs/dbraw/zinc/57/12/41/1094571241.db2.gz SYBQYBFMJCJBKU-VXGBXAGGSA-N 1 0 341.205 2.826 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[C@H]3COC[C@H]3C2)c1Br ZINC000690777024 1094571733 /nfs/dbraw/zinc/57/17/33/1094571733.db2.gz SYBQYBFMJCJBKU-NWDGAFQWSA-N 1 0 341.205 2.826 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(F)cc1 ZINC001267462767 1094617575 /nfs/dbraw/zinc/61/75/75/1094617575.db2.gz NXUKKLVIRXEKHC-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000785336963 1094834759 /nfs/dbraw/zinc/83/47/59/1094834759.db2.gz MNHCUXPLWALKPY-SADTYBKJSA-N 1 0 329.400 2.741 10 5 EFBERO C/C(=C\C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357612 1095116926 /nfs/dbraw/zinc/11/69/26/1095116926.db2.gz HCBKTCVJZKVLMP-XDPMZMSMSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC001126293265 1095230789 /nfs/dbraw/zinc/23/07/89/1095230789.db2.gz FOESXJSDNPQCAC-MRXNPFEDSA-N 1 0 348.447 2.694 10 5 EFBERO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001603046761 1096425329 /nfs/dbraw/zinc/42/53/29/1096425329.db2.gz XMTWPAGUUPYWGU-CQSZACIVSA-N 1 0 332.404 2.831 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccco1 ZINC001268428455 1096586030 /nfs/dbraw/zinc/58/60/30/1096586030.db2.gz GNKIRNBALBRTGB-KTKRTIGZSA-N 1 0 343.383 2.839 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626180932 1097066248 /nfs/dbraw/zinc/06/62/48/1097066248.db2.gz SDTAQMMRFHIDIT-GUTXKFCHSA-N 1 0 346.431 2.654 10 5 EFBERO O=C(NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001482035948 1097136130 /nfs/dbraw/zinc/13/61/30/1097136130.db2.gz QKOUHQRRZSSRFO-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001268588789 1097308028 /nfs/dbraw/zinc/30/80/28/1097308028.db2.gz VMAPGKBZSJVJOA-UPHRSURJSA-N 1 0 349.774 2.917 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)n1 ZINC001606983911 1097489488 /nfs/dbraw/zinc/48/94/88/1097489488.db2.gz XVIVUNAQVAPVTO-NVXWUHKLSA-N 1 0 346.431 2.633 10 5 EFBERO Cc1ccc(CC(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001268788812 1097634990 /nfs/dbraw/zinc/63/49/90/1097634990.db2.gz TWJNQROOYCHYAY-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C2CC2)CC1 ZINC001268800298 1097647462 /nfs/dbraw/zinc/64/74/62/1097647462.db2.gz JUEPQALHAVXBCG-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001611178121 1098987828 /nfs/dbraw/zinc/98/78/28/1098987828.db2.gz PZOMVEYRQACGNI-NSHDSACASA-N 1 0 343.786 2.990 10 5 EFBERO COC(=O)Cc1ccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001611794048 1099033262 /nfs/dbraw/zinc/03/32/62/1099033262.db2.gz LPDFVFDYHVLHRX-KGLIPLIRSA-N 1 0 349.431 2.843 10 5 EFBERO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001611908496 1099039115 /nfs/dbraw/zinc/03/91/15/1099039115.db2.gz HXCCQXVCPNHSHC-NSHDSACASA-N 1 0 326.828 2.988 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)cc1C ZINC001612324750 1099051886 /nfs/dbraw/zinc/05/18/86/1099051886.db2.gz IMLPFJQMSNZCKT-UHFFFAOYSA-N 1 0 333.388 2.754 10 5 EFBERO CC[C@@H]1CN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001612760047 1099076829 /nfs/dbraw/zinc/07/68/29/1099076829.db2.gz FPTFMWZZPHENCC-NWDGAFQWSA-N 1 0 330.388 2.728 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCC(C)(C)C1 ZINC001613056970 1099088398 /nfs/dbraw/zinc/08/83/98/1099088398.db2.gz SNTSRCAAUFSFMH-UHFFFAOYSA-N 1 0 335.404 2.834 10 5 EFBERO CC[NH+](CC)CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC001613069251 1099088926 /nfs/dbraw/zinc/08/89/26/1099088926.db2.gz WBGRZOXPDINYIX-CQSZACIVSA-N 1 0 344.419 2.852 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001614714806 1099141148 /nfs/dbraw/zinc/14/11/48/1099141148.db2.gz HCEAFVJTOLMMJF-UHFFFAOYSA-N 1 0 337.395 2.893 10 5 EFBERO CC(C)(C)C[N@H+](CCCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001615474887 1099160148 /nfs/dbraw/zinc/16/01/48/1099160148.db2.gz ZGXOJQMLBWHNIW-UHFFFAOYSA-N 1 0 348.403 2.875 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001618046327 1099275139 /nfs/dbraw/zinc/27/51/39/1099275139.db2.gz UCWRATCWYPNHAY-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC001618560609 1099305108 /nfs/dbraw/zinc/30/51/08/1099305108.db2.gz MCJRMGOZECPHND-UHFFFAOYSA-N 1 0 337.339 2.746 10 5 EFBERO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC001620670564 1099367506 /nfs/dbraw/zinc/36/75/06/1099367506.db2.gz TUOMHRLJGNDHIL-INIZCTEOSA-N 1 0 327.425 2.519 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001624762357 1099727566 /nfs/dbraw/zinc/72/75/66/1099727566.db2.gz ZUFVBTRBURLDOP-CYBMUJFWSA-N 1 0 330.388 2.679 10 5 EFBERO C/C(=C/C(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785302922 1099732035 /nfs/dbraw/zinc/73/20/35/1099732035.db2.gz MKUXPKZIDMMUBY-OWBHPGMISA-N 1 0 331.416 2.989 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001625590996 1099829740 /nfs/dbraw/zinc/82/97/40/1099829740.db2.gz RSTMXPHYSAVGEP-WCQYABFASA-N 1 0 337.395 2.893 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001625590994 1099829837 /nfs/dbraw/zinc/82/98/37/1099829837.db2.gz RSTMXPHYSAVGEP-AAEUAGOBSA-N 1 0 337.395 2.893 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001626725191 1099910307 /nfs/dbraw/zinc/91/03/07/1099910307.db2.gz HWEJYUFYMOLOIW-HNNXBMFYSA-N 1 0 337.395 2.766 10 5 EFBERO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001627307399 1099980618 /nfs/dbraw/zinc/98/06/18/1099980618.db2.gz GKDBJEXIZUSPAB-UHFFFAOYSA-N 1 0 334.420 2.636 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)n1 ZINC001628004139 1100049694 /nfs/dbraw/zinc/04/96/94/1100049694.db2.gz FQPILWXDWRFEKV-UHFFFAOYSA-N 1 0 334.420 2.635 10 5 EFBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001629508422 1100218188 /nfs/dbraw/zinc/21/81/88/1100218188.db2.gz DHLGXEDPZBHSFZ-UHFFFAOYSA-N 1 0 344.371 2.621 10 5 EFBERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001631820173 1100430954 /nfs/dbraw/zinc/43/09/54/1100430954.db2.gz QTNHEABRLOFSLN-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO CC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001633921439 1100574970 /nfs/dbraw/zinc/57/49/70/1100574970.db2.gz FLDAEFNZORWGLY-MXASKKJJSA-N 1 0 346.431 2.685 10 5 EFBERO C[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001633928817 1100575373 /nfs/dbraw/zinc/57/53/73/1100575373.db2.gz UYUNICINLOICAN-SECBINFHSA-N 1 0 342.827 2.537 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC001634052160 1100581789 /nfs/dbraw/zinc/58/17/89/1100581789.db2.gz DVYSBEROMUOFRO-UHFFFAOYSA-N 1 0 335.404 2.551 10 5 EFBERO C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001635954900 1100689566 /nfs/dbraw/zinc/68/95/66/1100689566.db2.gz SMTLZPMEMHKBDS-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c(N)c1[N+](=O)[O-] ZINC001636729116 1100734795 /nfs/dbraw/zinc/73/47/95/1100734795.db2.gz NKIQRNZLAQZOGS-UHFFFAOYSA-N 1 0 344.371 2.927 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001637585366 1100792015 /nfs/dbraw/zinc/79/20/15/1100792015.db2.gz YEKDMKSIPDDCRR-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO CCCC[N@H+](C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001639453020 1100952105 /nfs/dbraw/zinc/95/21/05/1100952105.db2.gz AILVCIBJCCYFJS-VQHVLOKHSA-N 1 0 335.404 2.925 10 5 EFBERO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1C ZINC001640078831 1101011890 /nfs/dbraw/zinc/01/18/90/1101011890.db2.gz DBZJLOQEDMQJHI-OKILXGFUSA-N 1 0 344.415 2.688 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000840340895 1101012017 /nfs/dbraw/zinc/01/20/17/1101012017.db2.gz QRGZKRNFEPGNCV-DDJMYBDESA-N 1 0 347.415 2.925 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000840340897 1101012046 /nfs/dbraw/zinc/01/20/46/1101012046.db2.gz QRGZKRNFEPGNCV-LYASGUKUSA-N 1 0 347.415 2.925 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000840340900 1101012165 /nfs/dbraw/zinc/01/21/65/1101012165.db2.gz QRGZKRNFEPGNCV-VFADXPBXSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001641250199 1101118575 /nfs/dbraw/zinc/11/85/75/1101118575.db2.gz DHWRMRRNOMAGJS-LBPRGKRZSA-N 1 0 349.406 2.989 10 5 EFBERO C[C@@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC001168043153 1101138978 /nfs/dbraw/zinc/13/89/78/1101138978.db2.gz JOJPLHLNZCJWGB-ZDUSSCGKSA-N 1 0 341.839 2.648 10 5 EFBERO Cc1ncsc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001642106061 1101190542 /nfs/dbraw/zinc/19/05/42/1101190542.db2.gz VLCZRSGOVSORTP-CYBMUJFWSA-N 1 0 347.444 2.874 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC001642340115 1101207034 /nfs/dbraw/zinc/20/70/34/1101207034.db2.gz UARGWJYYOXKCJQ-OLZOCXBDSA-N 1 0 344.415 2.858 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC001642340116 1101207968 /nfs/dbraw/zinc/20/79/68/1101207968.db2.gz UARGWJYYOXKCJQ-QWHCGFSZSA-N 1 0 344.415 2.858 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001642352275 1101208710 /nfs/dbraw/zinc/20/87/10/1101208710.db2.gz GRYKOWDSRMTQPR-KGLIPLIRSA-N 1 0 347.415 2.753 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)c2c1 ZINC001642740484 1101238008 /nfs/dbraw/zinc/23/80/08/1101238008.db2.gz NPCANGHUVIDOLJ-TXEJJXNPSA-N 1 0 330.388 2.680 10 5 EFBERO CN1Cc2ccccc2[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001642914080 1101254802 /nfs/dbraw/zinc/25/48/02/1101254802.db2.gz ZNYOHMSRTMOCMU-INIZCTEOSA-N 1 0 329.331 2.650 10 5 EFBERO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643203518 1101279378 /nfs/dbraw/zinc/27/93/78/1101279378.db2.gz XSNYCEYBFKYCHB-LLVKDONJSA-N 1 0 334.326 2.983 10 5 EFBERO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643203519 1101279540 /nfs/dbraw/zinc/27/95/40/1101279540.db2.gz XSNYCEYBFKYCHB-NSHDSACASA-N 1 0 334.326 2.983 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001651384887 1101319832 /nfs/dbraw/zinc/31/98/32/1101319832.db2.gz RQERJUMFWJJVMH-CABCVRRESA-N 1 0 330.363 2.743 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001651384888 1101320815 /nfs/dbraw/zinc/32/08/15/1101320815.db2.gz RQERJUMFWJJVMH-GJZGRUSLSA-N 1 0 330.363 2.743 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001651532443 1101344256 /nfs/dbraw/zinc/34/42/56/1101344256.db2.gz KIHBCCZZJMMYON-CYBMUJFWSA-N 1 0 333.413 2.686 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001651770603 1101380891 /nfs/dbraw/zinc/38/08/91/1101380891.db2.gz VGRWIKSMFQSYSH-CQSZACIVSA-N 1 0 331.416 2.992 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001651770602 1101381640 /nfs/dbraw/zinc/38/16/40/1101381640.db2.gz VGRWIKSMFQSYSH-AWEZNQCLSA-N 1 0 331.416 2.992 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651912271 1101403770 /nfs/dbraw/zinc/40/37/70/1101403770.db2.gz BBURCMXIDUZYAS-ZDUSSCGKSA-N 1 0 346.431 2.979 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651964087 1101410840 /nfs/dbraw/zinc/41/08/40/1101410840.db2.gz FLISVPKVJNOPKP-GFCCVEGCSA-N 1 0 345.359 2.582 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC001652040886 1101425326 /nfs/dbraw/zinc/42/53/26/1101425326.db2.gz CBPJGUTWLXLEKV-GJZGRUSLSA-N 1 0 327.388 2.823 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001266612171 1101455975 /nfs/dbraw/zinc/45/59/75/1101455975.db2.gz JUIPHDULQDBORD-SHTZXODSSA-N 1 0 331.416 2.912 10 5 EFBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001652233782 1101457145 /nfs/dbraw/zinc/45/71/45/1101457145.db2.gz BKVGKVPRTIIMKN-LBPRGKRZSA-N 1 0 334.376 2.956 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001652491551 1101499969 /nfs/dbraw/zinc/49/99/69/1101499969.db2.gz LJNVOVJUBVARBK-GDBMZVCRSA-N 1 0 333.432 2.620 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1Cl ZINC001652491322 1101500778 /nfs/dbraw/zinc/50/07/78/1101500778.db2.gz IUNSDROLSDWWGP-ZDUSSCGKSA-N 1 0 325.796 2.627 10 5 EFBERO CN(C)c1cc(F)c(C(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001652862204 1101558969 /nfs/dbraw/zinc/55/89/69/1101558969.db2.gz NXAGTMAOSCNMJH-UHFFFAOYSA-N 1 0 343.318 2.700 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001266634300 1101593944 /nfs/dbraw/zinc/59/39/44/1101593944.db2.gz MPFUIDHPDOLLLD-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)o1 ZINC001266640940 1101631120 /nfs/dbraw/zinc/63/11/20/1101631120.db2.gz ITCWMSOEQJROHG-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001654127754 1101683930 /nfs/dbraw/zinc/68/39/30/1101683930.db2.gz UZUNAXAIYOBMSJ-TZMCWYRMSA-N 1 0 332.360 2.692 10 5 EFBERO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001654793974 1101756348 /nfs/dbraw/zinc/75/63/48/1101756348.db2.gz BJOHXDNITPPERP-OAHLLOKOSA-N 1 0 333.432 2.922 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC001266372222 1101765961 /nfs/dbraw/zinc/76/59/61/1101765961.db2.gz UVLCXJAQJQQEMD-UHFFFAOYSA-N 1 0 327.384 2.847 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCC(C)CC1 ZINC001654972476 1101773589 /nfs/dbraw/zinc/77/35/89/1101773589.db2.gz GWTSHFQWJMSDER-UHFFFAOYSA-N 1 0 335.404 2.834 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001655024913 1101780395 /nfs/dbraw/zinc/78/03/95/1101780395.db2.gz QLPYQFNHHMNXPR-OLZOCXBDSA-N 1 0 335.404 2.914 10 5 EFBERO [NH3+]Cc1nccnc1Sc1ccc(Br)cc1[N+](=O)[O-] ZINC001655276513 1101803160 /nfs/dbraw/zinc/80/31/60/1101803160.db2.gz VHLAKXRLOHIPMC-UHFFFAOYSA-N 1 0 341.190 2.757 10 5 EFBERO O=C(CCC1CCC1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266676420 1101839283 /nfs/dbraw/zinc/83/92/83/1101839283.db2.gz JREXCPKMWULIRK-OKILXGFUSA-N 1 0 337.445 2.973 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001655709911 1101875072 /nfs/dbraw/zinc/87/50/72/1101875072.db2.gz ZSPSWOULRXATDT-AWEZNQCLSA-N 1 0 349.431 2.682 10 5 EFBERO CCO[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC001655835406 1101898818 /nfs/dbraw/zinc/89/88/18/1101898818.db2.gz UYLYMOOSXUWZSG-NSHDSACASA-N 1 0 346.225 2.736 10 5 EFBERO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001655921073 1101910510 /nfs/dbraw/zinc/91/05/10/1101910510.db2.gz XFXXCKRMFUYZJX-UHFFFAOYSA-N 1 0 332.404 2.513 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656156758 1101979960 /nfs/dbraw/zinc/97/99/60/1101979960.db2.gz DGBCFYUARMWZHR-BJHJDKERSA-N 1 0 341.358 2.625 10 5 EFBERO C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656392384 1102046956 /nfs/dbraw/zinc/04/69/56/1102046956.db2.gz VPIHHKAFDBPNOL-OAHLLOKOSA-N 1 0 338.404 2.682 10 5 EFBERO C/C(=C/C(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067521 1102303122 /nfs/dbraw/zinc/30/31/22/1102303122.db2.gz WWYWIJDRYRGCIW-PFONDFGASA-N 1 0 331.416 2.990 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000588439886 1102521302 /nfs/dbraw/zinc/52/13/02/1102521302.db2.gz JNJOGASVLBVBER-WEGGENQUSA-N 1 0 331.416 2.987 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000588440852 1102523591 /nfs/dbraw/zinc/52/35/91/1102523591.db2.gz VBFJLNIEKHNYBG-IFCKCIONSA-N 1 0 331.416 2.797 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000588444328 1102536046 /nfs/dbraw/zinc/53/60/46/1102536046.db2.gz YTGBXNIKTIAJTC-ZSMUJPCHSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000588444799 1102539753 /nfs/dbraw/zinc/53/97/53/1102539753.db2.gz GZDXVZSNBMEXOD-QINSGFPZSA-N 1 0 331.416 2.798 10 5 EFBERO C[N@H+](CCCNC(=O)C1(CF)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001660305322 1102680039 /nfs/dbraw/zinc/68/00/39/1102680039.db2.gz GXVHEPZEMCRNDY-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC001660407146 1102741385 /nfs/dbraw/zinc/74/13/85/1102741385.db2.gz MQUIPENQAGNIMV-GFCCVEGCSA-N 1 0 343.383 2.862 10 5 EFBERO CC[N@H+](CCCNC(=O)c1coc(C)n1)Cc1ccccc1[N+](=O)[O-] ZINC001660516242 1102818314 /nfs/dbraw/zinc/81/83/14/1102818314.db2.gz YLAOSCDOCJPXNB-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001660658865 1102914054 /nfs/dbraw/zinc/91/40/54/1102914054.db2.gz ZIEGWAZYSWUKCX-RBUKOAKNSA-N 1 0 342.395 2.612 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905318693 1103047558 /nfs/dbraw/zinc/04/75/58/1103047558.db2.gz QSTWVKSUWMBVPN-UHFFFAOYSA-N 1 0 334.401 2.909 10 5 EFBERO CC1(CCC(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001661670165 1103352415 /nfs/dbraw/zinc/35/24/15/1103352415.db2.gz JKGKOOHLENKHJL-BETUJISGSA-N 1 0 337.445 2.973 10 5 EFBERO Cn1ccc([C@@H]2CCC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000905719557 1103537355 /nfs/dbraw/zinc/53/73/55/1103537355.db2.gz BLTHJCKYIQSMOC-CYBMUJFWSA-N 1 0 340.387 2.515 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000905723786 1103558053 /nfs/dbraw/zinc/55/80/53/1103558053.db2.gz DAUHKUJKIXCFJV-CYBMUJFWSA-N 1 0 347.419 2.885 10 5 EFBERO CC(C)(C)OC[C@@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000905731261 1103566050 /nfs/dbraw/zinc/56/60/50/1103566050.db2.gz WKXJWLYCCCQZTF-LBPRGKRZSA-N 1 0 349.387 2.740 10 5 EFBERO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001662021160 1103567406 /nfs/dbraw/zinc/56/74/06/1103567406.db2.gz NPZYDBGHXPFBHX-FVQHAEBGSA-N 1 0 331.416 2.577 10 5 EFBERO C/C(=C\C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001483454029 1103738767 /nfs/dbraw/zinc/73/87/67/1103738767.db2.gz KEXAMZSJSWOKRH-XYOKQWHBSA-N 1 0 337.445 2.951 10 5 EFBERO Cc1ccoc1CC(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483491636 1103810099 /nfs/dbraw/zinc/81/00/99/1103810099.db2.gz RNEQWLJSFRPQDQ-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906622032 1104357093 /nfs/dbraw/zinc/35/70/93/1104357093.db2.gz MTMFQKWDNGNSOO-LBPRGKRZSA-N 1 0 339.823 2.639 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001482982948 1105321802 /nfs/dbraw/zinc/32/18/02/1105321802.db2.gz SWRJBTUFNPHELL-ONEGZZNKSA-N 1 0 331.397 2.732 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001668684640 1105348745 /nfs/dbraw/zinc/34/87/45/1105348745.db2.gz IVUFWIBJUVZYCU-SREVYHEPSA-N 1 0 331.416 2.937 10 5 EFBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001668691768 1105350749 /nfs/dbraw/zinc/35/07/49/1105350749.db2.gz RRFYHSLOTZELLR-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001669157553 1105446207 /nfs/dbraw/zinc/44/62/07/1105446207.db2.gz XEPXXCLGHWQEGX-NSCUHMNNSA-N 1 0 339.395 2.979 10 5 EFBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001669157552 1105446492 /nfs/dbraw/zinc/44/64/92/1105446492.db2.gz XEPXXCLGHWQEGX-IHWYPQMZSA-N 1 0 339.395 2.979 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001483004794 1105522700 /nfs/dbraw/zinc/52/27/00/1105522700.db2.gz VUMJDDNOXRANSQ-OWOJBTEDSA-N 1 0 349.387 2.871 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CC1 ZINC001670214169 1105597358 /nfs/dbraw/zinc/59/73/58/1105597358.db2.gz YGMYEUKMYVEOBX-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001142531764 1106236225 /nfs/dbraw/zinc/23/62/25/1106236225.db2.gz JNHICRPWBLBDOP-UHFFFAOYSA-N 1 0 337.395 2.989 10 5 EFBERO CC(C)(C)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001675180506 1106313425 /nfs/dbraw/zinc/31/34/25/1106313425.db2.gz YUEBADNBUKHAGZ-HUUCEWRRSA-N 1 0 339.480 2.887 10 5 EFBERO CC/C=C(/C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001675723093 1106416571 /nfs/dbraw/zinc/41/65/71/1106416571.db2.gz ZQGKKGZBMKKCCE-JOIZTSGUSA-N 1 0 331.416 2.936 10 5 EFBERO CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001676402008 1106525239 /nfs/dbraw/zinc/52/52/39/1106525239.db2.gz ISCVIGFDPYPJSX-GJZGRUSLSA-N 1 0 348.447 2.824 10 5 EFBERO CCc1ccccc1C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001677199212 1106675140 /nfs/dbraw/zinc/67/51/40/1106675140.db2.gz XLVBJNDEFBDKQN-QZTJIDSGSA-N 1 0 347.459 2.583 10 5 EFBERO CCO[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C[NH+](C)C ZINC000926962021 1108303386 /nfs/dbraw/zinc/30/33/86/1108303386.db2.gz QHZWGEICMNGIKM-GXTWGEPZSA-N 1 0 341.477 2.934 10 5 EFBERO Cc1c(CNC(=O)NCc2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC001681558312 1108339351 /nfs/dbraw/zinc/33/93/51/1108339351.db2.gz ARHHOEDZNVHRHM-UHFFFAOYSA-N 1 0 339.355 2.550 10 5 EFBERO C[N@H+](CCNC(=O)c1ccc(Cl)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266255142 1108696387 /nfs/dbraw/zinc/69/63/87/1108696387.db2.gz IALYYLGXMNEJKC-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC([NH+]2CCCC2)C1 ZINC000898599026 1109027225 /nfs/dbraw/zinc/02/72/25/1109027225.db2.gz HJXCYTHKAPIWOK-UHFFFAOYSA-N 1 0 325.368 2.668 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898823119 1109094667 /nfs/dbraw/zinc/09/46/67/1109094667.db2.gz KDAKQBJQHWAGKK-GJZGRUSLSA-N 1 0 331.416 2.814 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000898826104 1109099520 /nfs/dbraw/zinc/09/95/20/1109099520.db2.gz MXWBLOQOTZEPET-YLFCFFPRSA-N 1 0 343.427 2.687 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000898847402 1109103543 /nfs/dbraw/zinc/10/35/43/1109103543.db2.gz DMOGDVISIJOEKK-KBPBESRZSA-N 1 0 337.807 2.851 10 5 EFBERO CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)CCCF)CC1 ZINC001484922284 1117838279 /nfs/dbraw/zinc/83/82/79/1117838279.db2.gz NFMVEMCYOSITCM-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]c1 ZINC001485251664 1118167775 /nfs/dbraw/zinc/16/77/75/1118167775.db2.gz KFHMKKMFNWYIHT-UHFFFAOYSA-N 1 0 344.415 2.811 10 5 EFBERO Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000052554887 214133451 /nfs/dbraw/zinc/13/34/51/214133451.db2.gz HRHUZCQBJLTAPM-MRXNPFEDSA-N 1 0 327.384 2.936 10 5 EFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297079 232129034 /nfs/dbraw/zinc/12/90/34/232129034.db2.gz MBNXTYMYNCFPCF-OAHLLOKOSA-N 1 0 330.388 2.643 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178545357 232247973 /nfs/dbraw/zinc/24/79/73/232247973.db2.gz DOJNEOGPCCTSLL-LBPRGKRZSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000067457400 215148661 /nfs/dbraw/zinc/14/86/61/215148661.db2.gz MZQCCVFWFIFHNF-CABCVRRESA-N 1 0 333.432 2.841 10 5 EFBERO Cc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000067698084 215189783 /nfs/dbraw/zinc/18/97/83/215189783.db2.gz YDPRVXILROWYQC-UHFFFAOYSA-N 1 0 329.404 2.553 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331613 235012188 /nfs/dbraw/zinc/01/21/88/235012188.db2.gz KOXJYDXPOWAOCY-LJQANCHMSA-N 1 0 346.475 2.505 10 5 EFBERO Cc1ccc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)nn1 ZINC000183331808 235012646 /nfs/dbraw/zinc/01/26/46/235012646.db2.gz IZUHQZMPQRSWPR-UHFFFAOYSA-N 1 0 341.415 2.714 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000183350766 235022180 /nfs/dbraw/zinc/02/21/80/235022180.db2.gz WLXYSECCAKEYKM-KRWDZBQOSA-N 1 0 344.415 2.582 10 5 EFBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188010248 236380446 /nfs/dbraw/zinc/38/04/46/236380446.db2.gz YHXSGOYWLMRIHR-YVEFUNNKSA-N 1 0 346.387 2.628 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000261739630 283416677 /nfs/dbraw/zinc/41/66/77/283416677.db2.gz ZIKMVASXIDAPNJ-RPBQFNSTSA-N 1 0 343.383 2.977 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886431 215923637 /nfs/dbraw/zinc/92/36/37/215923637.db2.gz RAWGNKXFKGHRCH-AWEZNQCLSA-N 1 0 342.399 2.777 10 5 EFBERO CC(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037618788 213162076 /nfs/dbraw/zinc/16/20/76/213162076.db2.gz XSFQKTNGPNXXCC-UHFFFAOYSA-N 1 0 330.182 2.684 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581422 283600592 /nfs/dbraw/zinc/60/05/92/283600592.db2.gz FYVUBJYSJCFMPX-JMJZKYOTSA-N 1 0 326.194 2.531 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)n1 ZINC000191721572 240003723 /nfs/dbraw/zinc/00/37/23/240003723.db2.gz ZBVGVSZOHPKYEC-UHFFFAOYSA-N 1 0 345.403 2.905 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261785510 240325266 /nfs/dbraw/zinc/32/52/66/240325266.db2.gz PTDVZLINQHGMED-KRWDZBQOSA-N 1 0 327.384 2.750 10 5 EFBERO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411927344 243031255 /nfs/dbraw/zinc/03/12/55/243031255.db2.gz SBNUKHANVLMMHB-RDJZCZTQSA-N 1 0 328.368 2.911 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412136985 243162618 /nfs/dbraw/zinc/16/26/18/243162618.db2.gz VQZZLWYIUKZOAZ-VDNDLQMASA-N 1 0 331.416 2.639 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000414519412 244208726 /nfs/dbraw/zinc/20/87/26/244208726.db2.gz BCBFDSCEJURGBI-GFCCVEGCSA-N 1 0 336.388 2.767 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414565704 244237277 /nfs/dbraw/zinc/23/72/77/244237277.db2.gz FHIGVAPGJSELAY-XJKSGUPXSA-N 1 0 344.415 2.636 10 5 EFBERO Cc1c(NC(=O)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000414693068 244295036 /nfs/dbraw/zinc/29/50/36/244295036.db2.gz DIIGQAFEEAWXHO-UHFFFAOYSA-N 1 0 343.387 2.600 10 5 EFBERO Cc1ccc(NC(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414667477 244283493 /nfs/dbraw/zinc/28/34/93/244283493.db2.gz XWUUXTKQSOODSY-UHFFFAOYSA-N 1 0 343.387 2.600 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000019995541 212093568 /nfs/dbraw/zinc/09/35/68/212093568.db2.gz KHDCMNPWGOFBCJ-LBPRGKRZSA-N 1 0 326.194 2.863 10 5 EFBERO C[C@@H]1C[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943849 244397041 /nfs/dbraw/zinc/39/70/41/244397041.db2.gz OLEWIGDODIRBGR-IAQYHMDHSA-N 1 0 332.429 2.806 10 5 EFBERO Cn1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077465985 216910901 /nfs/dbraw/zinc/91/09/01/216910901.db2.gz HHSNRQHYUQJZPQ-RHSMWYFYSA-N 1 0 344.415 2.636 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107529136 291494521 /nfs/dbraw/zinc/49/45/21/291494521.db2.gz OCHNXAPBXFKAIO-OAHLLOKOSA-N 1 0 331.416 2.994 10 5 EFBERO CC(C)(NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418433577 245157375 /nfs/dbraw/zinc/15/73/75/245157375.db2.gz UHTIIDMCJOXGQP-INIZCTEOSA-N 1 0 342.399 2.829 10 5 EFBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000419002663 245327080 /nfs/dbraw/zinc/32/70/80/245327080.db2.gz MMVLGXIESTVEPG-GHMZBOCLSA-N 1 0 347.337 2.505 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461282 217227535 /nfs/dbraw/zinc/22/75/35/217227535.db2.gz JWHNRUZRJFNWGH-DYVFJYSZSA-N 1 0 349.431 2.623 10 5 EFBERO CCOC(=O)c1ccnc(SCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000081006176 217349327 /nfs/dbraw/zinc/34/93/27/217349327.db2.gz GGUICFQUFPQQRD-UHFFFAOYSA-N 1 0 327.406 2.600 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000421711085 246076035 /nfs/dbraw/zinc/07/60/35/246076035.db2.gz NQTKTNXDTXTNFS-SNVBAGLBSA-N 1 0 345.321 2.780 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264465853 246533908 /nfs/dbraw/zinc/53/39/08/246533908.db2.gz FMZSFOCSWCFHBN-CQSZACIVSA-N 1 0 342.399 2.777 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)o1 ZINC000425355551 247055289 /nfs/dbraw/zinc/05/52/89/247055289.db2.gz MLFLFPMJFVTAMI-GFCCVEGCSA-N 1 0 339.355 2.962 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)o2)c1 ZINC000425358746 247058989 /nfs/dbraw/zinc/05/89/89/247058989.db2.gz RJDGMIMZVCQBDF-CYBMUJFWSA-N 1 0 339.355 2.962 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000441212576 250009542 /nfs/dbraw/zinc/00/95/42/250009542.db2.gz UIKDWWBAYLIPGV-QWHCGFSZSA-N 1 0 331.372 2.985 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)nc2c1 ZINC000441212575 250009790 /nfs/dbraw/zinc/00/97/90/250009790.db2.gz UIKDWWBAYLIPGV-OLZOCXBDSA-N 1 0 331.372 2.985 10 5 EFBERO COc1ccc(OCC[N@@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000441448028 250031802 /nfs/dbraw/zinc/03/18/02/250031802.db2.gz FVKVIFZCEUEOOP-CYBMUJFWSA-N 1 0 326.393 2.728 10 5 EFBERO COc1cccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444046821 250252954 /nfs/dbraw/zinc/25/29/54/250252954.db2.gz FFSFWEKGSWSODM-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)nc2c1 ZINC000444658305 250322909 /nfs/dbraw/zinc/32/29/09/250322909.db2.gz AVDKDRURJMWHJI-STQMWFEESA-N 1 0 330.388 2.720 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC12CCC2 ZINC000444783920 250347179 /nfs/dbraw/zinc/34/71/79/250347179.db2.gz LRSRYGXLYMENDQ-UHFFFAOYSA-N 1 0 331.372 2.911 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)c2ccccc2)n1 ZINC000447582194 250579905 /nfs/dbraw/zinc/57/99/05/250579905.db2.gz YMSIZTWLZCNGAU-GVDBMIGSSA-N 1 0 344.415 2.641 10 5 EFBERO CC[C@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000267326987 250950898 /nfs/dbraw/zinc/95/08/98/250950898.db2.gz FFCZCLVKMSUDHY-KRWDZBQOSA-N 1 0 346.431 2.926 10 5 EFBERO COC[C@](C)(O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449382613 251004494 /nfs/dbraw/zinc/00/44/94/251004494.db2.gz CWYXCFYFKWILFT-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000449418554 251018448 /nfs/dbraw/zinc/01/84/48/251018448.db2.gz DHGISENWFIERJP-ZWKOTPCHSA-N 1 0 330.359 2.895 10 5 EFBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449418703 251018526 /nfs/dbraw/zinc/01/85/26/251018526.db2.gz FBLJVFOFCCNHJC-GWCFXTLKSA-N 1 0 330.331 2.789 10 5 EFBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449418706 251018708 /nfs/dbraw/zinc/01/87/08/251018708.db2.gz FBLJVFOFCCNHJC-ZWNOBZJWSA-N 1 0 330.331 2.789 10 5 EFBERO O=[N+]([O-])c1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000449418551 251019450 /nfs/dbraw/zinc/01/94/50/251019450.db2.gz DHGISENWFIERJP-MSOLQXFVSA-N 1 0 330.359 2.895 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000449433466 251027350 /nfs/dbraw/zinc/02/73/50/251027350.db2.gz MMRDQTUJSUSZSN-XNRPHZJLSA-N 1 0 340.807 2.610 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C(C)(C)C2CCC2)cc1[N+](=O)[O-] ZINC000449521230 251050680 /nfs/dbraw/zinc/05/06/80/251050680.db2.gz RGWKAZZUBQDYBF-UHFFFAOYSA-N 1 0 336.388 2.815 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000449494179 251042897 /nfs/dbraw/zinc/04/28/97/251042897.db2.gz MXTRXULWHCHTGZ-LRDDRELGSA-N 1 0 338.404 2.850 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000449494178 251043154 /nfs/dbraw/zinc/04/31/54/251043154.db2.gz MXTRXULWHCHTGZ-BLLLJJGKSA-N 1 0 338.404 2.850 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000449581023 251073042 /nfs/dbraw/zinc/07/30/42/251073042.db2.gz WKEHFQGTOCAGEO-HNNXBMFYSA-N 1 0 341.411 2.740 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000449775740 251152657 /nfs/dbraw/zinc/15/26/57/251152657.db2.gz RHGDSAZUKWYTIR-HOCLYGCPSA-N 1 0 330.388 2.647 10 5 EFBERO Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347095 251354956 /nfs/dbraw/zinc/35/49/56/251354956.db2.gz GVMNLPBMUGPTGP-WFASDCNBSA-N 1 0 347.444 2.672 10 5 EFBERO CC[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC000450459212 251394490 /nfs/dbraw/zinc/39/44/90/251394490.db2.gz KAJWPNRDORRGGJ-UHFFFAOYSA-N 1 0 327.388 2.875 10 5 EFBERO C[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453445460 252039504 /nfs/dbraw/zinc/03/95/04/252039504.db2.gz YLXLZUWGBSALOO-OALUTQOASA-N 1 0 339.395 2.943 10 5 EFBERO O=[N+]([O-])c1c(N2CCCC[C@H]([NH+]3CCCC3)C2)nc2sccn21 ZINC000264658060 285077562 /nfs/dbraw/zinc/07/75/62/285077562.db2.gz YAQYKTGOTWGDBY-LBPRGKRZSA-N 1 0 335.433 2.759 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177562187 533138198 /nfs/dbraw/zinc/13/81/98/533138198.db2.gz LHMNPJYCNPSWLR-CHWSQXEVSA-N 1 0 333.388 2.664 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174122747 533223587 /nfs/dbraw/zinc/22/35/87/533223587.db2.gz UVYSJHDEOMVZKN-NEPJUHHUSA-N 1 0 336.392 2.550 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119747186 221391817 /nfs/dbraw/zinc/39/18/17/221391817.db2.gz RIVXZAOXMLEGRH-GFCCVEGCSA-N 1 0 325.434 2.672 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000344844764 533408279 /nfs/dbraw/zinc/40/82/79/533408279.db2.gz CHUXRPCQKVQMEI-KGHDJLKFSA-N 1 0 329.400 2.597 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000158423608 533588751 /nfs/dbraw/zinc/58/87/51/533588751.db2.gz CRFATLYMZVHSDA-PWSUYJOCSA-N 1 0 325.796 2.803 10 5 EFBERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353956932 146597637 /nfs/dbraw/zinc/59/76/37/146597637.db2.gz MXNNLXNYYRFJJD-NWDGAFQWSA-N 1 0 326.418 2.520 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322112363 141494823 /nfs/dbraw/zinc/49/48/23/141494823.db2.gz PAPPTSBMRDHTNM-BXUZGUMPSA-N 1 0 337.807 2.852 10 5 EFBERO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344444972 142018237 /nfs/dbraw/zinc/01/82/37/142018237.db2.gz XFVVAMXMSVMMQB-UHFFFAOYSA-N 1 0 330.388 2.932 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000345942979 142121953 /nfs/dbraw/zinc/12/19/53/142121953.db2.gz FKJYJXDCHYRNOF-NEPJUHHUSA-N 1 0 330.388 2.631 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccsc1 ZINC000349316296 142319738 /nfs/dbraw/zinc/31/97/38/142319738.db2.gz WMVFENZSDYKOOJ-XHDPSFHLSA-N 1 0 349.412 2.697 10 5 EFBERO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000341312588 145031314 /nfs/dbraw/zinc/03/13/14/145031314.db2.gz XXPFZKVFXGPTLV-UHFFFAOYSA-N 1 0 349.431 2.522 10 5 EFBERO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000342261410 145089585 /nfs/dbraw/zinc/08/95/85/145089585.db2.gz JSHBRKNRROPLQY-UHFFFAOYSA-N 1 0 349.431 2.942 10 5 EFBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000342428331 145124263 /nfs/dbraw/zinc/12/42/63/145124263.db2.gz GMHKCRRHSWMFGJ-JQHSSLGASA-N 1 0 331.416 2.640 10 5 EFBERO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342708498 145176713 /nfs/dbraw/zinc/17/67/13/145176713.db2.gz YGBVMBVORUJFMJ-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3cccc(F)c3F)C2)nc1 ZINC000342750068 145184813 /nfs/dbraw/zinc/18/48/13/145184813.db2.gz LJTQCYCFCXLGNP-CYBMUJFWSA-N 1 0 348.353 2.997 10 5 EFBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343622371 145255272 /nfs/dbraw/zinc/25/52/72/145255272.db2.gz WLXHXRSVUYBIPH-CYBMUJFWSA-N 1 0 343.383 2.802 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000343763545 145289248 /nfs/dbraw/zinc/28/92/48/145289248.db2.gz VWSFRCBBZWQROA-IIDMSEBBSA-N 1 0 334.416 2.847 10 5 EFBERO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CC=CCC1 ZINC000344063905 145359178 /nfs/dbraw/zinc/35/91/78/145359178.db2.gz OFZFRDCOTCVWEC-CQSZACIVSA-N 1 0 329.400 2.772 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC000349188169 146063363 /nfs/dbraw/zinc/06/33/63/146063363.db2.gz LGCHJJSEDQKKGO-UHFFFAOYSA-N 1 0 336.388 2.671 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000349302487 146077699 /nfs/dbraw/zinc/07/76/99/146077699.db2.gz XBIWWNKLWKCFEB-UHFFFAOYSA-N 1 0 328.416 2.862 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351749381 146194253 /nfs/dbraw/zinc/19/42/53/146194253.db2.gz OKOKBPWIZLUESK-UHFFFAOYSA-N 1 0 338.383 2.977 10 5 EFBERO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353415801 146473655 /nfs/dbraw/zinc/47/36/55/146473655.db2.gz PPDPNRALUQDHER-KTAKPFMOSA-N 1 0 346.431 2.972 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000355604236 147009927 /nfs/dbraw/zinc/00/99/27/147009927.db2.gz ZGVZAOHNOBCECH-UHFFFAOYSA-N 1 0 332.404 2.985 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355780554 147061412 /nfs/dbraw/zinc/06/14/12/147061412.db2.gz ANHUHAJMJYKTFG-UPJWGTAASA-N 1 0 335.404 2.908 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308206 147207132 /nfs/dbraw/zinc/20/71/32/147207132.db2.gz SOUZXIMBFIPQBO-VEMDQMBVSA-N 1 0 330.384 2.678 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000358152663 147722998 /nfs/dbraw/zinc/72/29/98/147722998.db2.gz HIEABEKZALQUFD-DCBWTQNWSA-N 1 0 335.404 2.688 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000358298720 147764194 /nfs/dbraw/zinc/76/41/94/147764194.db2.gz MPLIUNCIQMDJOM-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545300 148117856 /nfs/dbraw/zinc/11/78/56/148117856.db2.gz RWWPAOYXOTXHMF-WFASDCNBSA-N 1 0 334.420 2.527 10 5 EFBERO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545297 148118219 /nfs/dbraw/zinc/11/82/19/148118219.db2.gz RWWPAOYXOTXHMF-IUODEOHRSA-N 1 0 334.420 2.527 10 5 EFBERO Cc1cc(N2CCO[C@H](C(=O)C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359632173 148146032 /nfs/dbraw/zinc/14/60/32/148146032.db2.gz KOWQGLWDSZFOCK-KRWDZBQOSA-N 1 0 341.367 2.636 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000360090354 148268984 /nfs/dbraw/zinc/26/89/84/148268984.db2.gz PGJHYUQOKIJPHZ-UHFFFAOYSA-N 1 0 346.362 2.773 10 5 EFBERO Cc1ccnc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363796169 149013763 /nfs/dbraw/zinc/01/37/63/149013763.db2.gz QZEOUNFWZMKFQP-QGZVFWFLSA-N 1 0 342.399 2.606 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000364306079 149121029 /nfs/dbraw/zinc/12/10/29/149121029.db2.gz QZPLWDRHZSDEEG-UHFFFAOYSA-N 1 0 333.779 2.629 10 5 EFBERO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000365429568 149394889 /nfs/dbraw/zinc/39/48/89/149394889.db2.gz ODVJUPSSRSSSCK-UHFFFAOYSA-N 1 0 347.415 2.659 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000365426126 149394907 /nfs/dbraw/zinc/39/49/07/149394907.db2.gz LDGSKPUWBNJRCO-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO COc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000366775627 149712034 /nfs/dbraw/zinc/71/20/34/149712034.db2.gz SZBFGIZLYDLWNI-ZDUSSCGKSA-N 1 0 337.395 2.911 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368151211 150051171 /nfs/dbraw/zinc/05/11/71/150051171.db2.gz ZHHFHCKZOPOUJL-YJBOKZPZSA-N 1 0 327.384 2.588 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000374028016 151270229 /nfs/dbraw/zinc/27/02/29/151270229.db2.gz VKSNPHPTVLILLC-CQSZACIVSA-N 1 0 328.372 2.643 10 5 EFBERO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000374595400 151377609 /nfs/dbraw/zinc/37/76/09/151377609.db2.gz PAUMXTNNCIUCHY-MRXNPFEDSA-N 1 0 339.395 2.992 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245524389 292296600 /nfs/dbraw/zinc/29/66/00/292296600.db2.gz NMVKYIIXOKHCQF-VKJFTORMSA-N 1 0 333.432 2.617 10 5 EFBERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160101359 225338846 /nfs/dbraw/zinc/33/88/46/225338846.db2.gz FTMNMCXTQRNXOF-SNVBAGLBSA-N 1 0 346.309 2.781 10 5 EFBERO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000122999102 222197169 /nfs/dbraw/zinc/19/71/69/222197169.db2.gz VXURRWMPYBXZJT-NSHDSACASA-N 1 0 329.194 2.968 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123115618 222218468 /nfs/dbraw/zinc/21/84/68/222218468.db2.gz GHLJXRPZVJUPOA-AAEUAGOBSA-N 1 0 337.445 2.871 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000123792010 222332774 /nfs/dbraw/zinc/33/27/74/222332774.db2.gz CMJCEZAOXWDPEG-AWEZNQCLSA-N 1 0 327.388 2.940 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124234496 222396256 /nfs/dbraw/zinc/39/62/56/222396256.db2.gz AKOGSLIZMIAQOT-PWSUYJOCSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000119685523 544581231 /nfs/dbraw/zinc/58/12/31/544581231.db2.gz GSJRTZJLXYNBGZ-SECBINFHSA-N 1 0 335.310 2.823 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000185024776 265032688 /nfs/dbraw/zinc/03/26/88/265032688.db2.gz XZQYDSGGFOGGMU-DIOBLVDRSA-N 1 0 343.427 2.941 10 5 EFBERO CCC1(CC)CN(CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185229381 265038384 /nfs/dbraw/zinc/03/83/84/265038384.db2.gz AOMBQTKHGZCZOD-QHCPKHFHSA-N 1 0 340.445 2.597 10 5 EFBERO C[C@H]1C(=O)NCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189088716 265174343 /nfs/dbraw/zinc/17/43/43/265174343.db2.gz FCPBAUFMZHCZOU-LBPRGKRZSA-N 1 0 329.356 2.565 10 5 EFBERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194519276 265375352 /nfs/dbraw/zinc/37/53/52/265375352.db2.gz ZXBJWXOKJLPMSO-GFCCVEGCSA-N 1 0 340.383 2.979 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194665063 265380482 /nfs/dbraw/zinc/38/04/82/265380482.db2.gz URYWCRUXWZUASE-PXAZEXFGSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270072221 265620835 /nfs/dbraw/zinc/62/08/35/265620835.db2.gz ZMDDXPNMTAGZOH-IIAWOOMASA-N 1 0 329.404 2.576 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438392 266265932 /nfs/dbraw/zinc/26/59/32/266265932.db2.gz OHUDAYZXSGHHIF-ZJUUUORDSA-N 1 0 330.331 2.993 10 5 EFBERO C[NH+](C)C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000272594918 266319265 /nfs/dbraw/zinc/31/92/65/266319265.db2.gz WZYUYEPHFIAJTE-JTQLQIEISA-N 1 0 334.203 2.668 10 5 EFBERO COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914860 266414169 /nfs/dbraw/zinc/41/41/69/266414169.db2.gz HIALLCURJAZCGY-UONOGXRCSA-N 1 0 346.383 2.694 10 5 EFBERO COc1cccc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390831 266797416 /nfs/dbraw/zinc/79/74/16/266797416.db2.gz CJKXADUMXSUDBO-ZFWWWQNUSA-N 1 0 337.445 2.619 10 5 EFBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276511363 267003376 /nfs/dbraw/zinc/00/33/76/267003376.db2.gz BGUVILNTNVDTOD-LBPRGKRZSA-N 1 0 339.823 2.970 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000276683072 267034861 /nfs/dbraw/zinc/03/48/61/267034861.db2.gz PBOLPBJWKHETIY-UHFFFAOYSA-N 1 0 337.807 2.913 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@@H](C)C1 ZINC000277727528 267246206 /nfs/dbraw/zinc/24/62/06/267246206.db2.gz PWQFDYQVGSMZHV-SWLSCSKDSA-N 1 0 337.395 2.845 10 5 EFBERO COc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000277745947 267251436 /nfs/dbraw/zinc/25/14/36/267251436.db2.gz UQJTYIIDMDDZRB-GFCCVEGCSA-N 1 0 341.383 2.655 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000247355615 273074519 /nfs/dbraw/zinc/07/45/19/273074519.db2.gz OGNYNRNUALONIR-BXUZGUMPSA-N 1 0 337.445 2.775 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000279040122 273169523 /nfs/dbraw/zinc/16/95/23/273169523.db2.gz LHXLVZKGTXBFKU-UHFFFAOYSA-N 1 0 327.812 2.874 10 5 EFBERO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000279384515 273209511 /nfs/dbraw/zinc/20/95/11/273209511.db2.gz JNDZWGGZKZNDRC-SFHVURJKSA-N 1 0 341.367 2.567 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280280993 273310807 /nfs/dbraw/zinc/31/08/07/273310807.db2.gz DOOBRRSRHLHYGK-STQMWFEESA-N 1 0 335.404 2.548 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280280977 273310860 /nfs/dbraw/zinc/31/08/60/273310860.db2.gz DOOBRRSRHLHYGK-CHWSQXEVSA-N 1 0 335.404 2.548 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000284187820 273807686 /nfs/dbraw/zinc/80/76/86/273807686.db2.gz GBASMWQDBWKBNP-KMFMINBZSA-N 1 0 338.448 2.664 10 5 EFBERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279099 273818419 /nfs/dbraw/zinc/81/84/19/273818419.db2.gz JSJPCFMYECZKGF-IAOVAPTHSA-N 1 0 336.432 2.720 10 5 EFBERO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000424319725 273922637 /nfs/dbraw/zinc/92/26/37/273922637.db2.gz HCJBAGGYGPXVBR-YQQAZPJKSA-N 1 0 345.443 2.764 10 5 EFBERO COC[C@]1(CNc2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261686802 274053193 /nfs/dbraw/zinc/05/31/93/274053193.db2.gz HJPVPPAFVIHOFK-CYBMUJFWSA-N 1 0 344.209 2.538 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286024910 274119432 /nfs/dbraw/zinc/11/94/32/274119432.db2.gz GAOHEQIYKOBDDY-LBPRGKRZSA-N 1 0 345.403 2.920 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286123999 274138384 /nfs/dbraw/zinc/13/83/84/274138384.db2.gz MOLZRCIRPZGOKR-LLVKDONJSA-N 1 0 331.376 2.530 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000286650092 274243493 /nfs/dbraw/zinc/24/34/93/274243493.db2.gz CGXXFMSVMXTVDX-JQWIXIFHSA-N 1 0 335.433 2.766 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588483 274397370 /nfs/dbraw/zinc/39/73/70/274397370.db2.gz VBABQASRETYUDD-KVPRVUCYSA-N 1 0 329.400 2.571 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289367 274397421 /nfs/dbraw/zinc/39/74/21/274397421.db2.gz OQEWZWMPCXTWOF-YIFBXAAPSA-N 1 0 343.427 2.916 10 5 EFBERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791790 274399518 /nfs/dbraw/zinc/39/95/18/274399518.db2.gz ZVLZQLCXCWDRRO-HZSPNIEDSA-N 1 0 331.416 2.850 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192710180 274510681 /nfs/dbraw/zinc/51/06/81/274510681.db2.gz PFLDAZHCMXJHEY-ZDUSSCGKSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288456359 274596634 /nfs/dbraw/zinc/59/66/34/274596634.db2.gz PSKRGGIQUGFBHZ-JSGCOSHPSA-N 1 0 342.399 2.775 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000359084968 274686466 /nfs/dbraw/zinc/68/64/66/274686466.db2.gz SBOQJFLMPPCGRE-HOTGVXAUSA-N 1 0 348.447 2.786 10 5 EFBERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651798 274798306 /nfs/dbraw/zinc/79/83/06/274798306.db2.gz YJIYKRYMMTUYCH-CPCISQLKSA-N 1 0 332.141 2.697 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261581421 274959692 /nfs/dbraw/zinc/95/96/92/274959692.db2.gz FYVUBJYSJCFMPX-INTQDDNPSA-N 1 0 326.194 2.531 10 5 EFBERO O=C1CCc2cc([N+](=O)[O-])c(N3CCC([NH+]4CCCC4)CC3)cc2N1 ZINC000170639714 275018448 /nfs/dbraw/zinc/01/84/48/275018448.db2.gz PVKQJFPAQBIJRB-UHFFFAOYSA-N 1 0 344.415 2.544 10 5 EFBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182908018 276072167 /nfs/dbraw/zinc/07/21/67/276072167.db2.gz KDXOSOFWGTVISX-UKYUDJEDSA-N 1 0 331.416 2.798 10 5 EFBERO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(C)(C)C1 ZINC000412036418 276085722 /nfs/dbraw/zinc/08/57/22/276085722.db2.gz MDGHZETUEQTWKX-UHFFFAOYSA-N 1 0 349.387 2.773 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266277893 276221415 /nfs/dbraw/zinc/22/14/15/276221415.db2.gz QJYKZGKRGSSRHW-SNVBAGLBSA-N 1 0 345.321 2.685 10 5 EFBERO CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189269000 276253145 /nfs/dbraw/zinc/25/31/45/276253145.db2.gz VIAAZGAODHVQPO-UHFFFAOYSA-N 1 0 332.404 2.880 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000247976434 277136298 /nfs/dbraw/zinc/13/62/98/277136298.db2.gz GMGGGULPMSXVNC-IEBWSBKVSA-N 1 0 339.395 2.699 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000357665883 278076721 /nfs/dbraw/zinc/07/67/21/278076721.db2.gz YEDPBTGNLFXNDY-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187859472 278222232 /nfs/dbraw/zinc/22/22/32/278222232.db2.gz YFOWZRHTVWGKOC-WFASDCNBSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423984246 288027393 /nfs/dbraw/zinc/02/73/93/288027393.db2.gz OQGUGIOWBKWMOM-KZULUSFZSA-N 1 0 333.432 2.949 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000353975708 278371836 /nfs/dbraw/zinc/37/18/36/278371836.db2.gz VMKMUFTWRTZXSK-IAQYHMDHSA-N 1 0 338.429 2.528 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000174924491 288313917 /nfs/dbraw/zinc/31/39/17/288313917.db2.gz LKRFVFIWLPOCRH-UONOGXRCSA-N 1 0 344.415 2.543 10 5 EFBERO COc1ccc(OC)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289917500 293945656 /nfs/dbraw/zinc/94/56/56/293945656.db2.gz VMRGEEIFFJVPPP-UHFFFAOYSA-N 1 0 331.372 2.577 10 5 EFBERO Cc1sc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416098697 294069630 /nfs/dbraw/zinc/06/96/30/294069630.db2.gz SQYOTBQCLTZFQI-UHFFFAOYSA-N 1 0 325.434 2.911 10 5 EFBERO Cc1sc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423988991 294070452 /nfs/dbraw/zinc/07/04/52/294070452.db2.gz AZZDEKHEZXQGTM-CQSZACIVSA-N 1 0 331.397 2.751 10 5 EFBERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579695 294125715 /nfs/dbraw/zinc/12/57/15/294125715.db2.gz PJIVFLOVHCGARQ-KXUCPTDWSA-N 1 0 329.784 2.588 10 5 EFBERO C[NH+](C)CCOc1ccccc1-c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291112910 294279834 /nfs/dbraw/zinc/27/98/34/294279834.db2.gz SYUJPKAGCBPPEW-UHFFFAOYSA-N 1 0 348.403 2.665 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000186787961 295027781 /nfs/dbraw/zinc/02/77/81/295027781.db2.gz GWPLTFRAYUHHOS-AWEZNQCLSA-N 1 0 348.403 2.696 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261599830 295215150 /nfs/dbraw/zinc/21/51/50/295215150.db2.gz BDAJVSVEHMDEFP-QLHKPRNWSA-N 1 0 337.807 2.884 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207172 295282461 /nfs/dbraw/zinc/28/24/61/295282461.db2.gz LQVBGUKRQUEKIT-TVQRCGJNSA-N 1 0 341.795 2.732 10 5 EFBERO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CC2)C1 ZINC000295301356 295296490 /nfs/dbraw/zinc/29/64/90/295296490.db2.gz JLYSCOAMUFMEHN-GFCCVEGCSA-N 1 0 342.399 2.632 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295504856 295332012 /nfs/dbraw/zinc/33/20/12/295332012.db2.gz SSZPCBQWBYVKPD-MRXNPFEDSA-N 1 0 339.367 2.756 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295735044 295368104 /nfs/dbraw/zinc/36/81/04/295368104.db2.gz WETRAYHNCWESOK-IJEWVQPXSA-N 1 0 339.395 2.937 10 5 EFBERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000417211494 299003817 /nfs/dbraw/zinc/00/38/17/299003817.db2.gz AJFNAIQXNPOUHE-ZDUSSCGKSA-N 1 0 342.399 2.656 10 5 EFBERO NC(=O)C1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000358177916 303239441 /nfs/dbraw/zinc/23/94/41/303239441.db2.gz PLEWJFDBBYOFFG-AVVWSFFYSA-N 1 0 331.416 2.550 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553612 310733323 /nfs/dbraw/zinc/73/33/23/310733323.db2.gz DOJCYUXPIRNTAH-HUUCEWRRSA-N 1 0 343.431 2.956 10 5 EFBERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299378573 311078653 /nfs/dbraw/zinc/07/86/53/311078653.db2.gz GHCSUGMVUXGNNT-UKRRQHHQSA-N 1 0 346.383 2.694 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000299569717 311098164 /nfs/dbraw/zinc/09/81/64/311098164.db2.gz CAYAAIMOPNPNIW-QGZVFWFLSA-N 1 0 327.384 2.936 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000299645683 311106919 /nfs/dbraw/zinc/10/69/19/311106919.db2.gz NYOYDCNBFUNGQX-OAHLLOKOSA-N 1 0 333.413 2.997 10 5 EFBERO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000301066979 311116926 /nfs/dbraw/zinc/11/69/26/311116926.db2.gz FFXGNAIXTGTGNY-YVEFUNNKSA-N 1 0 334.420 2.616 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301206181 311124298 /nfs/dbraw/zinc/12/42/98/311124298.db2.gz SPQSGGIIRWEFBL-AWEZNQCLSA-N 1 0 334.376 2.958 10 5 EFBERO Cc1cc(N(C)CC[NH+]2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301226158 311125209 /nfs/dbraw/zinc/12/52/09/311125209.db2.gz GLHFVDRYBNULOV-UHFFFAOYSA-N 1 0 341.415 2.892 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000301345077 311132344 /nfs/dbraw/zinc/13/23/44/311132344.db2.gz KCFQCIDMMAZLLB-VXGBXAGGSA-N 1 0 341.383 2.654 10 5 EFBERO Cc1nc(NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301667041 311151120 /nfs/dbraw/zinc/15/11/20/311151120.db2.gz OVQXLKNDAHMDKT-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301685582 311152144 /nfs/dbraw/zinc/15/21/44/311152144.db2.gz LJCSFDIOOQWOEY-SECBINFHSA-N 1 0 331.214 2.895 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000301731482 311155538 /nfs/dbraw/zinc/15/55/38/311155538.db2.gz DTYLLXKLCZNZFR-HNNXBMFYSA-N 1 0 337.395 2.815 10 5 EFBERO Cc1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301815884 311160357 /nfs/dbraw/zinc/16/03/57/311160357.db2.gz IWYVAPNPKLWKIF-INIZCTEOSA-N 1 0 333.432 2.984 10 5 EFBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000301847542 311162393 /nfs/dbraw/zinc/16/23/93/311162393.db2.gz UYDFOMUFONIGAX-CYBMUJFWSA-N 1 0 332.408 2.560 10 5 EFBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301868842 311163698 /nfs/dbraw/zinc/16/36/98/311163698.db2.gz CFAIYXQFBUDYQK-ZIAGYGMSSA-N 1 0 346.435 2.808 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](CC4CCCC4)CC3)nn21 ZINC000301952772 311168506 /nfs/dbraw/zinc/16/85/06/311168506.db2.gz CIALLQVZLGWZBQ-UHFFFAOYSA-N 1 0 344.419 2.704 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000302065814 311175882 /nfs/dbraw/zinc/17/58/82/311175882.db2.gz UIJPVKFFHUPWCN-ZBFHGGJFSA-N 1 0 331.416 2.540 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000302695141 311196954 /nfs/dbraw/zinc/19/69/54/311196954.db2.gz SOVVUYQXQQTUDO-CYBMUJFWSA-N 1 0 327.812 2.815 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000302823480 311203025 /nfs/dbraw/zinc/20/30/25/311203025.db2.gz UXMAGQOKIAVVEY-INIZCTEOSA-N 1 0 345.374 2.565 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414826326 312054815 /nfs/dbraw/zinc/05/48/15/312054815.db2.gz FMMOPTYJCXUMDA-CXAGYDPISA-N 1 0 342.399 2.602 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415123502 312098331 /nfs/dbraw/zinc/09/83/31/312098331.db2.gz NBSNMBTZRHUNJJ-FUHWJXTLSA-N 1 0 329.375 2.969 10 5 EFBERO Cc1c(NC(=O)N[C@@H](C)[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650639 312162363 /nfs/dbraw/zinc/16/23/63/312162363.db2.gz FXDNEINDEHKMKF-YUMQZZPRSA-N 1 0 345.197 2.523 10 5 EFBERO Cc1c(NC(=O)N[C@H](C)CC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415668445 312162980 /nfs/dbraw/zinc/16/29/80/312162980.db2.gz ZTVSORCNGWZIPX-SSDOTTSWSA-N 1 0 345.197 2.525 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(CCO)CCOC1)CCCC2 ZINC000417307847 312206690 /nfs/dbraw/zinc/20/66/90/312206690.db2.gz HMLWIVJGHHKUMZ-MSOLQXFVSA-N 1 0 334.416 2.741 10 5 EFBERO COC(=O)c1cc(NC2CCC([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000420630777 312376473 /nfs/dbraw/zinc/37/64/73/312376473.db2.gz TZLWKSRQTMYGGM-UHFFFAOYSA-N 1 0 335.404 2.975 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494183 312424713 /nfs/dbraw/zinc/42/47/13/312424713.db2.gz RXCWZCSUNKDZQD-OALUTQOASA-N 1 0 341.411 2.652 10 5 EFBERO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000423973174 312492404 /nfs/dbraw/zinc/49/24/04/312492404.db2.gz JNWPFZTYAYRPDC-INIZCTEOSA-N 1 0 343.383 2.596 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423977198 312493477 /nfs/dbraw/zinc/49/34/77/312493477.db2.gz UJAKSPZLTAXUMF-BDJLRTHQSA-N 1 0 337.445 2.764 10 5 EFBERO CNC(=O)C[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453389696 312897183 /nfs/dbraw/zinc/89/71/83/312897183.db2.gz XMEOQEKCAKAZCT-SCLBCKFNSA-N 1 0 327.384 2.798 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475714851 313225081 /nfs/dbraw/zinc/22/50/81/313225081.db2.gz JUZNCAAYHRFYMF-AWEZNQCLSA-N 1 0 336.388 2.625 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000480822959 313284490 /nfs/dbraw/zinc/28/44/90/313284490.db2.gz LBFWABBHDQSJJI-UHFFFAOYSA-N 1 0 333.388 2.810 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488744971 313508825 /nfs/dbraw/zinc/50/88/25/313508825.db2.gz AMSRYKLCDJTPPO-ZDUSSCGKSA-N 1 0 328.372 2.989 10 5 EFBERO COc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000494811643 314638514 /nfs/dbraw/zinc/63/85/14/314638514.db2.gz WSNKOWJUYVERSP-UHFFFAOYSA-N 1 0 349.431 2.732 10 5 EFBERO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000526952017 316309955 /nfs/dbraw/zinc/30/99/55/316309955.db2.gz OGCODPFNUCTWRJ-SUMWQHHRSA-N 1 0 342.399 2.719 10 5 EFBERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547845206 318047921 /nfs/dbraw/zinc/04/79/21/318047921.db2.gz KNGILDTVZDAGBB-INIZCTEOSA-N 1 0 340.427 2.991 10 5 EFBERO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCCCC1 ZINC000548297024 318091425 /nfs/dbraw/zinc/09/14/25/318091425.db2.gz PLUGMWHHFSMHSV-UHFFFAOYSA-N 1 0 334.420 2.716 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H]1c1cccc(F)c1 ZINC000562985074 318722418 /nfs/dbraw/zinc/72/24/18/318722418.db2.gz GTMNHNUOBRANEN-PMPSAXMXSA-N 1 0 346.358 2.619 10 5 EFBERO Cc1cc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)c(C)[nH+]1 ZINC000565221023 318948216 /nfs/dbraw/zinc/94/82/16/318948216.db2.gz INUBEQKGUFCPEO-UHFFFAOYSA-N 1 0 341.367 2.883 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000565909554 319014455 /nfs/dbraw/zinc/01/44/55/319014455.db2.gz KUWMOHUBAXAQEC-UHFFFAOYSA-N 1 0 334.420 2.716 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566974341 319127803 /nfs/dbraw/zinc/12/78/03/319127803.db2.gz YQXRBLORCSWWKM-MRXNPFEDSA-N 1 0 341.358 2.772 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000567679878 319196248 /nfs/dbraw/zinc/19/62/48/319196248.db2.gz HSVDVQJOGWHPNM-OFLPRAFFSA-N 1 0 342.395 2.870 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000567750133 319207237 /nfs/dbraw/zinc/20/72/37/319207237.db2.gz IJYFBNTXMHBYSI-CQSZACIVSA-N 1 0 330.432 2.791 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000568636080 319304158 /nfs/dbraw/zinc/30/41/58/319304158.db2.gz YLFATZXILPVEDE-ZJTAJZJASA-N 1 0 336.432 2.746 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571149276 319546021 /nfs/dbraw/zinc/54/60/21/319546021.db2.gz PWOILPICXYRHND-KSSFIOAISA-N 1 0 346.431 2.749 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000572345069 319659759 /nfs/dbraw/zinc/65/97/59/319659759.db2.gz RDFYCRPKYXYQMH-HNNXBMFYSA-N 1 0 348.790 2.676 10 5 EFBERO CCn1c2ccccc2nc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000574249972 319843857 /nfs/dbraw/zinc/84/38/57/319843857.db2.gz QRRHULQUOSSHQZ-UHFFFAOYSA-N 1 0 339.399 2.930 10 5 EFBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000577090517 320077299 /nfs/dbraw/zinc/07/72/99/320077299.db2.gz GJEIZXQTZZUTEC-CYBMUJFWSA-N 1 0 335.404 2.550 10 5 EFBERO CC(C)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000183642201 323344491 /nfs/dbraw/zinc/34/44/91/323344491.db2.gz IFVQIXOZMXKITF-MRXNPFEDSA-N 1 0 327.384 2.785 10 5 EFBERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185123610 323384582 /nfs/dbraw/zinc/38/45/82/323384582.db2.gz ZODZQWYJGLKTBF-RYUDHWBXSA-N 1 0 337.401 2.532 10 5 EFBERO O=C(CC[NH2+]CCC[C@@H]1CCCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000582846020 324683400 /nfs/dbraw/zinc/68/34/00/324683400.db2.gz UJQVGIAYJOAQKU-YOEHRIQHSA-N 1 0 349.431 2.844 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124572868 473265211 /nfs/dbraw/zinc/26/52/11/473265211.db2.gz YNDLMYCBWJDULQ-PWSUYJOCSA-N 1 0 325.796 2.803 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177033086 473289962 /nfs/dbraw/zinc/28/99/62/473289962.db2.gz ISBYVYPSUARMDB-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177036935 473291463 /nfs/dbraw/zinc/29/14/63/473291463.db2.gz CJKDDEIBKCKGRK-LBPRGKRZSA-N 1 0 337.445 2.873 10 5 EFBERO Cc1sc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000112925033 473332484 /nfs/dbraw/zinc/33/24/84/473332484.db2.gz APGPURXRWYYBQH-UHFFFAOYSA-N 1 0 325.434 2.769 10 5 EFBERO CCc1nnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000190654091 473347126 /nfs/dbraw/zinc/34/71/26/473347126.db2.gz SVBUVTABBWPHGI-UHFFFAOYSA-N 1 0 329.404 2.963 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162581221 473358866 /nfs/dbraw/zinc/35/88/66/473358866.db2.gz NGXHJTBKJFFFOA-DZGCQCFKSA-N 1 0 332.404 2.994 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424334830 477374448 /nfs/dbraw/zinc/37/44/48/477374448.db2.gz XCTIEJSDXFUUGV-OLZOCXBDSA-N 1 0 335.404 2.513 10 5 EFBERO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592153589 478800805 /nfs/dbraw/zinc/80/08/05/478800805.db2.gz HCPIGNRPOBOKPI-HOCLYGCPSA-N 1 0 333.432 2.905 10 5 EFBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593673078 479418370 /nfs/dbraw/zinc/41/83/70/479418370.db2.gz VAQYSMLAWANMGP-LSDHHAIUSA-N 1 0 348.424 2.905 10 5 EFBERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599934977 479475606 /nfs/dbraw/zinc/47/56/06/479475606.db2.gz TZBIYRIEELQRDR-VNQPRFMTSA-N 1 0 346.431 2.624 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068115290 472136317 /nfs/dbraw/zinc/13/63/17/472136317.db2.gz NSZJVEKYJUJUTN-NSHDSACASA-N 1 0 325.434 2.817 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000068898767 472261468 /nfs/dbraw/zinc/26/14/68/472261468.db2.gz LTHLANZCCWLXSH-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000076082590 472263500 /nfs/dbraw/zinc/26/35/00/472263500.db2.gz QTGDPSDIACEXHL-ZWKOTPCHSA-N 1 0 344.415 2.606 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068911199 472264135 /nfs/dbraw/zinc/26/41/35/472264135.db2.gz YZVKZBKNHVJWFM-CYBMUJFWSA-N 1 0 330.388 2.666 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056347438 472309718 /nfs/dbraw/zinc/30/97/18/472309718.db2.gz BEPUZIYWAWSLEA-MRXNPFEDSA-N 1 0 342.399 2.889 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088229819 472350008 /nfs/dbraw/zinc/35/00/08/472350008.db2.gz BDBLQAITXDRQSV-UHFFFAOYSA-N 1 0 331.372 2.700 10 5 EFBERO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCC(O)CC3)c2)nc1 ZINC000069582157 472374155 /nfs/dbraw/zinc/37/41/55/472374155.db2.gz NJTYZGLTRCPAJD-UHFFFAOYSA-N 1 0 328.372 2.690 10 5 EFBERO CC[NH+]1CCC(N(Cn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000057105496 472382146 /nfs/dbraw/zinc/38/21/46/472382146.db2.gz QCUBPMOSHALUKG-UHFFFAOYSA-N 1 0 343.431 2.851 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000031825854 472397725 /nfs/dbraw/zinc/39/77/25/472397725.db2.gz KHINHXURKGQLKC-LLVKDONJSA-N 1 0 325.434 2.777 10 5 EFBERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000077455927 472530379 /nfs/dbraw/zinc/53/03/79/472530379.db2.gz YDYWHTBPGDWWFM-QGZVFWFLSA-N 1 0 338.404 2.643 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000155477937 472554886 /nfs/dbraw/zinc/55/48/86/472554886.db2.gz DIAILHNCTWESFS-MFKMUULPSA-N 1 0 325.796 2.707 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155486755 472555932 /nfs/dbraw/zinc/55/59/32/472555932.db2.gz WJNYBVKVXMYILK-JQWIXIFHSA-N 1 0 325.796 2.707 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155525213 472562908 /nfs/dbraw/zinc/56/29/08/472562908.db2.gz RXUXPRRYEHLRSW-LSDHHAIUSA-N 1 0 349.431 2.517 10 5 EFBERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130074287 472583008 /nfs/dbraw/zinc/58/30/08/472583008.db2.gz PYYIORVCFDCIJD-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000155632039 472584452 /nfs/dbraw/zinc/58/44/52/472584452.db2.gz FDHLZTJTCKRDQY-DOMZBBRYSA-N 1 0 337.445 2.532 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000155701609 472598206 /nfs/dbraw/zinc/59/82/06/472598206.db2.gz OSESNFCTVOMORX-YGRLFVJLSA-N 1 0 325.796 2.707 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000119999524 472614280 /nfs/dbraw/zinc/61/42/80/472614280.db2.gz JHVQSLLSAUFUHM-UHFFFAOYSA-N 1 0 344.415 2.926 10 5 EFBERO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090563041 472637330 /nfs/dbraw/zinc/63/73/30/472637330.db2.gz CYICFDIPQFUSAT-CJNGLKHVSA-N 1 0 334.420 2.687 10 5 EFBERO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000072286178 472649373 /nfs/dbraw/zinc/64/93/73/472649373.db2.gz AYFLDVMVFUWDAK-ZBFHGGJFSA-N 1 0 336.436 2.847 10 5 EFBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCC(C)CC1 ZINC000155985455 472651445 /nfs/dbraw/zinc/65/14/45/472651445.db2.gz MYSYTNSJLAQZAN-ZDUSSCGKSA-N 1 0 344.415 2.926 10 5 EFBERO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000061761485 472718395 /nfs/dbraw/zinc/71/83/95/472718395.db2.gz XJTXENHOXSIYRM-UHFFFAOYSA-N 1 0 331.416 2.819 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120717128 472734644 /nfs/dbraw/zinc/73/46/44/472734644.db2.gz HCADWILESYGJNU-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO COC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000091453361 472767173 /nfs/dbraw/zinc/76/71/73/472767173.db2.gz HDMVXNIIYRJPQY-AWEZNQCLSA-N 1 0 347.415 2.754 10 5 EFBERO CCOCC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000105838331 472786429 /nfs/dbraw/zinc/78/64/29/472786429.db2.gz RHCTWHGJZGOPFO-KRWDZBQOSA-N 1 0 335.448 2.570 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886127 472797581 /nfs/dbraw/zinc/79/75/81/472797581.db2.gz NMAQXDOYKGVLPO-UHFFFAOYSA-N 1 0 330.388 2.712 10 5 EFBERO Cc1cnc(CCN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000157469832 472825100 /nfs/dbraw/zinc/82/51/00/472825100.db2.gz AEBRMEFPGOORKR-UHFFFAOYSA-N 1 0 348.428 2.781 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000157819880 472863138 /nfs/dbraw/zinc/86/31/38/472863138.db2.gz OQVHNLULCROPLZ-GFCCVEGCSA-N 1 0 340.221 2.637 10 5 EFBERO Cc1nn(C)c(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000079832518 472929131 /nfs/dbraw/zinc/92/91/31/472929131.db2.gz SMZIOGKTYPOPPW-UHFFFAOYSA-N 1 0 329.404 2.845 10 5 EFBERO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC000092627923 472948225 /nfs/dbraw/zinc/94/82/25/472948225.db2.gz IXABCEFQBUHUFH-UHFFFAOYSA-N 1 0 341.318 2.698 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649482 472950858 /nfs/dbraw/zinc/95/08/58/472950858.db2.gz CNOWAWUBLHPFLY-LBPRGKRZSA-N 1 0 345.346 2.719 10 5 EFBERO O=C(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000134840618 472972975 /nfs/dbraw/zinc/97/29/75/472972975.db2.gz LHSQADMWXSKFEE-OAHLLOKOSA-N 1 0 346.362 2.668 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000107887631 472989287 /nfs/dbraw/zinc/98/92/87/472989287.db2.gz NXDXQGXDHQDOMM-CHWSQXEVSA-N 1 0 337.445 2.533 10 5 EFBERO Cc1sc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074327326 472990065 /nfs/dbraw/zinc/99/00/65/472990065.db2.gz DPSGGQKTXIKNHO-CYBMUJFWSA-N 1 0 337.445 2.769 10 5 EFBERO CCc1nn(C)c(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1[N+](=O)[O-] ZINC000092829510 472996284 /nfs/dbraw/zinc/99/62/84/472996284.db2.gz XYGSZEZKNKVPIH-CYBMUJFWSA-N 1 0 344.419 2.533 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978330 473016637 /nfs/dbraw/zinc/01/66/37/473016637.db2.gz QTDZICXBUCFVEW-UHFFFAOYSA-N 1 0 330.392 2.724 10 5 EFBERO Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093011406 473026482 /nfs/dbraw/zinc/02/64/82/473026482.db2.gz SUPJXMXZYDKUCM-KRWDZBQOSA-N 1 0 333.432 2.590 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377024 473044475 /nfs/dbraw/zinc/04/44/75/473044475.db2.gz QOOLRDKBVMPSJW-GFCCVEGCSA-N 1 0 346.412 2.542 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000122817448 473062094 /nfs/dbraw/zinc/06/20/94/473062094.db2.gz RAAWDAGIYVCTRE-OFQRWUPVSA-N 1 0 348.447 2.992 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136076754 473132838 /nfs/dbraw/zinc/13/28/38/473132838.db2.gz LCKQWLIFSAZZIF-JKSUJKDBSA-N 1 0 347.415 2.520 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890801 473183082 /nfs/dbraw/zinc/18/30/82/473183082.db2.gz SCIMCURMUISLJS-MLGOLLRUSA-N 1 0 344.367 2.750 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185356429 473403418 /nfs/dbraw/zinc/40/34/18/473403418.db2.gz ZKYNOCWEIFRPJF-AWEZNQCLSA-N 1 0 337.420 2.571 10 5 EFBERO CCOCC[N@@H+]1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@H]1CC ZINC000185365900 473407413 /nfs/dbraw/zinc/40/74/13/473407413.db2.gz SNRYDXDRBKJMPY-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177702964 473419290 /nfs/dbraw/zinc/41/92/90/473419290.db2.gz YAGXEXPPTOCTBV-OAHLLOKOSA-N 1 0 345.403 2.561 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163450244 473447015 /nfs/dbraw/zinc/44/70/15/473447015.db2.gz SKYCJUKUGSLJHZ-AWEZNQCLSA-N 1 0 348.447 2.999 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651537 473478221 /nfs/dbraw/zinc/47/82/21/473478221.db2.gz MDEPUHHPIJYDLT-IAGOWNOFSA-N 1 0 334.416 2.967 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654028 473479826 /nfs/dbraw/zinc/47/98/26/473479826.db2.gz VUNNDIKPBVNEKP-IAGOWNOFSA-N 1 0 334.416 2.967 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655865 473480990 /nfs/dbraw/zinc/48/09/90/473480990.db2.gz RTBQDDHUYBIOBR-STQMWFEESA-N 1 0 326.418 2.720 10 5 EFBERO O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126763685 473543670 /nfs/dbraw/zinc/54/36/70/473543670.db2.gz XHAJUPVVBYHGPB-GOSISDBHSA-N 1 0 344.367 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126844272 473551492 /nfs/dbraw/zinc/55/14/92/473551492.db2.gz GGPDZHJKWGIGHU-QYJAPNMZSA-N 1 0 328.315 2.684 10 5 EFBERO Cc1c(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000126897903 473557231 /nfs/dbraw/zinc/55/72/31/473557231.db2.gz WWTHKRYBHUPQIE-SJORKVTESA-N 1 0 345.443 2.919 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152430417 473561250 /nfs/dbraw/zinc/56/12/50/473561250.db2.gz SLURUKQCDUUTRI-CQSZACIVSA-N 1 0 327.388 2.901 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cs1 ZINC000152474661 473567347 /nfs/dbraw/zinc/56/73/47/473567347.db2.gz ZJKXNBIWJDDSLX-GFCCVEGCSA-N 1 0 333.417 2.962 10 5 EFBERO O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000191678764 473567687 /nfs/dbraw/zinc/56/76/87/473567687.db2.gz LDGJJOAWUPYIGR-LBPRGKRZSA-N 1 0 336.342 2.949 10 5 EFBERO O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3cc(F)ccc3F)C2)n1 ZINC000191687133 473568768 /nfs/dbraw/zinc/56/87/68/473568768.db2.gz OUWOLLXIRNHXLW-GFCCVEGCSA-N 1 0 336.342 2.949 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415725 473604050 /nfs/dbraw/zinc/60/40/50/473604050.db2.gz WDJOZDHXKDAMJK-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO COc1cc(CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000127730159 473645112 /nfs/dbraw/zinc/64/51/12/473645112.db2.gz DRRDJZWPRAJTLW-UHFFFAOYSA-N 1 0 349.431 2.672 10 5 EFBERO CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000116278082 473645214 /nfs/dbraw/zinc/64/52/14/473645214.db2.gz WWERNLTZYKLXAE-HNNXBMFYSA-N 1 0 341.839 2.791 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([NH+](C)C)CC1 ZINC000127913610 473662655 /nfs/dbraw/zinc/66/26/55/473662655.db2.gz ALHAHZCVVWVOQH-GFCCVEGCSA-N 1 0 345.403 2.732 10 5 EFBERO Cc1sc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172833191 473690536 /nfs/dbraw/zinc/69/05/36/473690536.db2.gz RPYTWUFTJZRCIN-LBPRGKRZSA-N 1 0 325.434 2.911 10 5 EFBERO Cc1sc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172833198 473690892 /nfs/dbraw/zinc/69/08/92/473690892.db2.gz RPYTWUFTJZRCIN-GFCCVEGCSA-N 1 0 325.434 2.911 10 5 EFBERO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000192598275 473695349 /nfs/dbraw/zinc/69/53/49/473695349.db2.gz NVTGXPPCXLNKFU-UHFFFAOYSA-N 1 0 335.383 2.932 10 5 EFBERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000281391794 473704059 /nfs/dbraw/zinc/70/40/59/473704059.db2.gz MYFLTIJUWNGXLN-KRWDZBQOSA-N 1 0 330.388 2.934 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810263 473729122 /nfs/dbraw/zinc/72/91/22/473729122.db2.gz YBOIYMWIXVPBHL-HIFRSBDPSA-N 1 0 327.388 2.704 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000173055140 473736708 /nfs/dbraw/zinc/73/67/08/473736708.db2.gz IEWHUALZXYJCDV-LBPRGKRZSA-N 1 0 337.420 2.700 10 5 EFBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281495152 473739898 /nfs/dbraw/zinc/73/98/98/473739898.db2.gz UBPZKKHIEYDGRP-RUZYHRDJSA-N 1 0 348.443 2.890 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000192869993 473740925 /nfs/dbraw/zinc/74/09/25/473740925.db2.gz BWDDKSJRAKEEKL-SNVBAGLBSA-N 1 0 335.385 2.954 10 5 EFBERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000281532128 473755601 /nfs/dbraw/zinc/75/56/01/473755601.db2.gz WHEJBVCTYWLBDH-KRWDZBQOSA-N 1 0 330.388 2.934 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000186787948 473756632 /nfs/dbraw/zinc/75/66/32/473756632.db2.gz GWPLTFRAYUHHOS-CQSZACIVSA-N 1 0 348.403 2.696 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186795235 473758635 /nfs/dbraw/zinc/75/86/35/473758635.db2.gz BULLGCQQHRQPKM-AAEUAGOBSA-N 1 0 337.445 2.775 10 5 EFBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246232102 473801135 /nfs/dbraw/zinc/80/11/35/473801135.db2.gz HZIHBVUPYCMUJN-XHDPSFHLSA-N 1 0 337.807 2.805 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180125921 473805725 /nfs/dbraw/zinc/80/57/25/473805725.db2.gz NLFXWDOJZHOEAC-RDJZCZTQSA-N 1 0 343.358 2.909 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000274420645 473816984 /nfs/dbraw/zinc/81/69/84/473816984.db2.gz DGVCORWRHNZHQW-GFCCVEGCSA-N 1 0 330.388 2.679 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269467301 473820724 /nfs/dbraw/zinc/82/07/24/473820724.db2.gz ICYGIZSNUVTFMB-UHFFFAOYSA-N 1 0 333.310 2.685 10 5 EFBERO CC(=O)NC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000263733993 473826179 /nfs/dbraw/zinc/82/61/79/473826179.db2.gz YVIJALISVWVLQH-UHFFFAOYSA-N 1 0 325.796 2.785 10 5 EFBERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173403580 473826933 /nfs/dbraw/zinc/82/69/33/473826933.db2.gz YSETUKZRDSJKCN-KDOFPFPSSA-N 1 0 341.411 2.945 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246557273 473901681 /nfs/dbraw/zinc/90/16/81/473901681.db2.gz WJNYBVKVXMYILK-CMPLNLGQSA-N 1 0 325.796 2.707 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000263914822 473904016 /nfs/dbraw/zinc/90/40/16/473904016.db2.gz LZPFSTMYZNPLGJ-OCCSQVGLSA-N 1 0 337.445 2.628 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000246579881 473905772 /nfs/dbraw/zinc/90/57/72/473905772.db2.gz HPFUXEMKSOZSIK-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO NC(=O)c1coc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723453 473909694 /nfs/dbraw/zinc/90/96/94/473909694.db2.gz GDWCPMVZTMWSEL-MLGOLLRUSA-N 1 0 343.383 2.788 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188088971 473978835 /nfs/dbraw/zinc/97/88/35/473978835.db2.gz QVQQVPYCDVIRRB-GJZGRUSLSA-N 1 0 348.424 2.743 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000246945567 474012424 /nfs/dbraw/zinc/01/24/24/474012424.db2.gz LEUXXGGPDVAYEI-KBPBESRZSA-N 1 0 337.807 2.947 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000246955487 474015894 /nfs/dbraw/zinc/01/58/94/474015894.db2.gz MHEASXCMXGIACK-CABCVRRESA-N 1 0 347.415 2.692 10 5 EFBERO COCCN1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011600 474035023 /nfs/dbraw/zinc/03/50/23/474035023.db2.gz MGBMMFWEVIRUEZ-QZTJIDSGSA-N 1 0 347.459 2.616 10 5 EFBERO Cc1cc(N2CCC[C@H]2C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270272378 474054181 /nfs/dbraw/zinc/05/41/81/474054181.db2.gz WSHUZWJDLCXIRO-INIZCTEOSA-N 1 0 341.415 2.891 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275109622 474073233 /nfs/dbraw/zinc/07/32/33/474073233.db2.gz MVISZJIAZXXUPW-CMPLNLGQSA-N 1 0 345.321 2.656 10 5 EFBERO O=C(NCCC[NH+]1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195488022 474081967 /nfs/dbraw/zinc/08/19/67/474081967.db2.gz VIUXWQNKAOKCRD-UHFFFAOYSA-N 1 0 330.388 2.682 10 5 EFBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000188476949 474105072 /nfs/dbraw/zinc/10/50/72/474105072.db2.gz DXGKHGFNFKPMAR-OAHLLOKOSA-N 1 0 328.796 2.779 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000265351886 474185465 /nfs/dbraw/zinc/18/54/65/474185465.db2.gz XTCTWMOWDKADAY-UHFFFAOYSA-N 1 0 337.376 2.787 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175436688 474219190 /nfs/dbraw/zinc/21/91/90/474219190.db2.gz GTZBFYKVRRLKSY-QWHCGFSZSA-N 1 0 337.807 2.947 10 5 EFBERO Cn1cc(C[NH2+][C@H]2CSC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282906543 474237876 /nfs/dbraw/zinc/23/78/76/474237876.db2.gz UQROPJROJIAZAM-AWEZNQCLSA-N 1 0 332.429 2.979 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247994791 474241551 /nfs/dbraw/zinc/24/15/51/474241551.db2.gz JURNTKDXBWKOMS-YJBOKZPZSA-N 1 0 334.416 2.991 10 5 EFBERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000175736491 474294837 /nfs/dbraw/zinc/29/48/37/474294837.db2.gz WQHPDHLESMXZFC-WWTUQBGBSA-N 1 0 346.431 2.970 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248387998 474303098 /nfs/dbraw/zinc/30/30/98/474303098.db2.gz CPMRYXDGXUZTRU-WMZOPIPTSA-N 1 0 345.443 2.860 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275745323 474303117 /nfs/dbraw/zinc/30/31/17/474303117.db2.gz COQNXZXVYVYWCS-AAEUAGOBSA-N 1 0 339.823 2.969 10 5 EFBERO CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175846191 474323336 /nfs/dbraw/zinc/32/33/36/474323336.db2.gz HEKYHIJCLCFZMP-CXAGYDPISA-N 1 0 346.431 2.829 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000248564262 474360918 /nfs/dbraw/zinc/36/09/18/474360918.db2.gz DMXVJFJWGODVAT-JCURWCKSSA-N 1 0 328.368 2.783 10 5 EFBERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250225 474421340 /nfs/dbraw/zinc/42/13/40/474421340.db2.gz VMLAPKGGPZZRSJ-DZGCQCFKSA-N 1 0 330.388 2.678 10 5 EFBERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250209 474421582 /nfs/dbraw/zinc/42/15/82/474421582.db2.gz VMLAPKGGPZZRSJ-UKRRQHHQSA-N 1 0 330.388 2.678 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000271175016 474422418 /nfs/dbraw/zinc/42/24/18/474422418.db2.gz UUVJXBDQKKKZNQ-OLZOCXBDSA-N 1 0 337.445 2.676 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000271175020 474422894 /nfs/dbraw/zinc/42/28/94/474422894.db2.gz UUVJXBDQKKKZNQ-QWHCGFSZSA-N 1 0 337.445 2.676 10 5 EFBERO Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237636904 474447507 /nfs/dbraw/zinc/44/75/07/474447507.db2.gz CXPQUEFOTMWFKC-UHFFFAOYSA-N 1 0 337.383 2.989 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262777 474492486 /nfs/dbraw/zinc/49/24/86/474492486.db2.gz MVIVXIBHTRUGFP-IUODEOHRSA-N 1 0 339.411 2.905 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830350 474496307 /nfs/dbraw/zinc/49/63/07/474496307.db2.gz DPXWWUODADBTNL-ZBFHGGJFSA-N 1 0 330.384 2.823 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830344 474496968 /nfs/dbraw/zinc/49/69/68/474496968.db2.gz DPXWWUODADBTNL-GOEBONIOSA-N 1 0 330.384 2.823 10 5 EFBERO Cc1cccc(NC[C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000266863925 474508616 /nfs/dbraw/zinc/50/86/16/474508616.db2.gz XXAFJSLPGKVPSH-CQSZACIVSA-N 1 0 327.388 2.940 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699056 474519578 /nfs/dbraw/zinc/51/95/78/474519578.db2.gz XYGVWBQBZAUJCF-SJORKVTESA-N 1 0 344.415 2.702 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000184703182 474589050 /nfs/dbraw/zinc/58/90/50/474589050.db2.gz ZSEXJELWLUHSCV-HZPDHXFCSA-N 1 0 333.432 2.622 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000184703130 474589851 /nfs/dbraw/zinc/58/98/51/474589851.db2.gz ZSEXJELWLUHSCV-HOTGVXAUSA-N 1 0 333.432 2.622 10 5 EFBERO COc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000249557023 474592025 /nfs/dbraw/zinc/59/20/25/474592025.db2.gz KEHKAMLYVUJTIL-HUUCEWRRSA-N 1 0 348.424 2.873 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249589520 474597171 /nfs/dbraw/zinc/59/71/71/474597171.db2.gz UZYUJSDCKFANQA-ACJLOTCBSA-N 1 0 349.431 2.715 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000184763948 474602921 /nfs/dbraw/zinc/60/29/21/474602921.db2.gz RAMCVHHZOMEUCF-JKSUJKDBSA-N 1 0 333.432 2.764 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184790465 474608568 /nfs/dbraw/zinc/60/85/68/474608568.db2.gz NWHZSQCRJQTYFP-LESCRADOSA-N 1 0 345.443 2.859 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267248792 474627763 /nfs/dbraw/zinc/62/77/63/474627763.db2.gz UETMNWPYDGDGAM-HNNXBMFYSA-N 1 0 345.374 2.565 10 5 EFBERO C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000291625054 474634693 /nfs/dbraw/zinc/63/46/93/474634693.db2.gz HFTLQSAPBVTYGP-LRDDRELGSA-N 1 0 343.383 2.722 10 5 EFBERO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291676915 474646705 /nfs/dbraw/zinc/64/67/05/474646705.db2.gz GSIANZBUSPWDIA-OLZOCXBDSA-N 1 0 347.337 2.809 10 5 EFBERO C[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252137095 474657551 /nfs/dbraw/zinc/65/75/51/474657551.db2.gz LQLIHSYBGXDVMQ-ZANVPECISA-N 1 0 328.210 2.921 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518018 474676531 /nfs/dbraw/zinc/67/65/31/474676531.db2.gz SBKFKNWTQBNZNO-GDBMZVCRSA-N 1 0 343.431 2.956 10 5 EFBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000252705411 474709016 /nfs/dbraw/zinc/70/90/16/474709016.db2.gz QEYYBVKEKWAEHR-QMTHXVAHSA-N 1 0 342.237 2.739 10 5 EFBERO C[C@@H]1CN(Cc2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)CCO1 ZINC000344414880 474732697 /nfs/dbraw/zinc/73/26/97/474732697.db2.gz GYQXZVZVDGJBTP-CQSZACIVSA-N 1 0 342.399 2.823 10 5 EFBERO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000267978735 474735304 /nfs/dbraw/zinc/73/53/04/474735304.db2.gz XHDASHZJRADCGZ-VXGBXAGGSA-N 1 0 342.827 2.945 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000340881054 474744966 /nfs/dbraw/zinc/74/49/66/474744966.db2.gz UMTQUTKNSHPHGU-ZDUSSCGKSA-N 1 0 332.404 2.648 10 5 EFBERO Cc1cnn(C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112815 474804591 /nfs/dbraw/zinc/80/45/91/474804591.db2.gz LWBFCMFODWYEIU-XQDHMALISA-N 1 0 342.399 2.514 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337259011 474835216 /nfs/dbraw/zinc/83/52/16/474835216.db2.gz VQQXLAACACZGLZ-GOSISDBHSA-N 1 0 347.415 2.816 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229838 474878792 /nfs/dbraw/zinc/87/87/92/474878792.db2.gz FVSRFDNKSDOPDE-WMZOPIPTSA-N 1 0 346.431 2.783 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229826 474878835 /nfs/dbraw/zinc/87/88/35/474878835.db2.gz FVSRFDNKSDOPDE-SJLPKXTDSA-N 1 0 346.431 2.783 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000273474137 474918259 /nfs/dbraw/zinc/91/82/59/474918259.db2.gz PAZUTYSOGSPSIG-ABAIWWIYSA-N 1 0 338.383 2.928 10 5 EFBERO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341069104 474938665 /nfs/dbraw/zinc/93/86/65/474938665.db2.gz NUCVPRBAPLZZFX-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO COC(=O)CC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000285240040 474939758 /nfs/dbraw/zinc/93/97/58/474939758.db2.gz HPOIAEATIAGRNI-UHFFFAOYSA-N 1 0 328.315 2.839 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261638282 475006916 /nfs/dbraw/zinc/00/69/16/475006916.db2.gz FLTZJSPEPFPYPF-QGZVFWFLSA-N 1 0 327.384 2.750 10 5 EFBERO Cc1sc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261762259 475053758 /nfs/dbraw/zinc/05/37/58/475053758.db2.gz QINMVHMSACLEOM-UHFFFAOYSA-N 1 0 333.413 2.608 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261838747 475079668 /nfs/dbraw/zinc/07/96/68/475079668.db2.gz UHOULNLTQDBLNM-SFHVURJKSA-N 1 0 341.411 2.792 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534946 475103514 /nfs/dbraw/zinc/10/35/14/475103514.db2.gz XGJHZLLFNXWGQM-DOMZBBRYSA-N 1 0 326.418 2.555 10 5 EFBERO CS[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273941689 475128647 /nfs/dbraw/zinc/12/86/47/475128647.db2.gz DEEFOPXRXISDGP-DLBZAZTESA-N 1 0 335.473 2.649 10 5 EFBERO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC000292699887 475159050 /nfs/dbraw/zinc/15/90/50/475159050.db2.gz GAHRUNNXHCMNOY-SFHVURJKSA-N 1 0 347.415 2.612 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000262206801 475198455 /nfs/dbraw/zinc/19/84/55/475198455.db2.gz LDYMRWVJHZUKKP-QGZVFWFLSA-N 1 0 345.374 2.889 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354325 480153112 /nfs/dbraw/zinc/15/31/12/480153112.db2.gz VCRXHNUWWDWABU-RYUDHWBXSA-N 1 0 345.403 2.918 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000347354072 475258914 /nfs/dbraw/zinc/25/89/14/475258914.db2.gz GECHJGJEGCRUBI-KVVHSQDJSA-N 1 0 345.443 2.795 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000361201139 475265878 /nfs/dbraw/zinc/26/58/78/475265878.db2.gz NHJPENXUCDIYJK-RDJZCZTQSA-N 1 0 333.432 2.716 10 5 EFBERO CNc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000361211309 475272431 /nfs/dbraw/zinc/27/24/31/475272431.db2.gz OSJRYVLPRGCLRD-KGLIPLIRSA-N 1 0 346.431 2.724 10 5 EFBERO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352424106 475280685 /nfs/dbraw/zinc/28/06/85/475280685.db2.gz DJLAKPYQGZAYDA-HNNXBMFYSA-N 1 0 349.431 2.732 10 5 EFBERO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361230452 475288761 /nfs/dbraw/zinc/28/87/61/475288761.db2.gz UITZOPRHRVVEHI-INIZCTEOSA-N 1 0 330.388 2.606 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357954879 475289267 /nfs/dbraw/zinc/28/92/67/475289267.db2.gz HYBUPJGHCLQDRA-WCQYABFASA-N 1 0 343.387 2.544 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000337771316 475311046 /nfs/dbraw/zinc/31/10/46/475311046.db2.gz DQFCFBHKULGUBJ-UHFFFAOYSA-N 1 0 337.383 2.833 10 5 EFBERO COc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541315 475394950 /nfs/dbraw/zinc/39/49/50/475394950.db2.gz WIWIQBDQCQFUCC-MRXNPFEDSA-N 1 0 333.432 2.767 10 5 EFBERO CC[N@@H+]1CCC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000339679694 475404957 /nfs/dbraw/zinc/40/49/57/475404957.db2.gz RZMOFJKAMPWEEY-HNNXBMFYSA-N 1 0 341.415 2.678 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361402471 475420498 /nfs/dbraw/zinc/42/04/98/475420498.db2.gz JEBYCUVVTHATAN-OAHLLOKOSA-N 1 0 335.404 2.731 10 5 EFBERO COc1cc(CN2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000352570095 475422080 /nfs/dbraw/zinc/42/20/80/475422080.db2.gz BZNVKMWUXHSXPN-UHFFFAOYSA-N 1 0 328.372 2.626 10 5 EFBERO COc1ccc(OCC[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000361411496 475428437 /nfs/dbraw/zinc/42/84/37/475428437.db2.gz YCJIYAZJJUFYES-UHFFFAOYSA-N 1 0 331.372 2.818 10 5 EFBERO C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000352671140 475513988 /nfs/dbraw/zinc/51/39/88/475513988.db2.gz LFOPXWLJTUZLHR-CYBMUJFWSA-N 1 0 343.383 2.551 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342040140 475523266 /nfs/dbraw/zinc/52/32/66/475523266.db2.gz BXBRJIQBBPZRBB-OAHLLOKOSA-N 1 0 349.431 2.859 10 5 EFBERO CS(=O)(=O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685614 475530430 /nfs/dbraw/zinc/53/04/30/475530430.db2.gz VHHHGDAQQBFOMD-QGZVFWFLSA-N 1 0 348.424 2.709 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000338059678 475554315 /nfs/dbraw/zinc/55/43/15/475554315.db2.gz OVPAVFSUYQQADS-UHFFFAOYSA-N 1 0 339.395 2.861 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000358305155 475576341 /nfs/dbraw/zinc/57/63/41/475576341.db2.gz YJULKHUMXSPBQZ-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000346655922 475737659 /nfs/dbraw/zinc/73/76/59/475737659.db2.gz MIRPKCVULXYVSG-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CC[C@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297482961 475776753 /nfs/dbraw/zinc/77/67/53/475776753.db2.gz AQJNKRFRLZUKCC-ZENOOKHLSA-N 1 0 334.420 2.780 10 5 EFBERO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340153282 475806226 /nfs/dbraw/zinc/80/62/26/475806226.db2.gz RVNILCAPBUAGPO-UHFFFAOYSA-N 1 0 330.363 2.627 10 5 EFBERO COc1ccccc1NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350815 475815303 /nfs/dbraw/zinc/81/53/03/475815303.db2.gz JKJNFJYNEPNNQV-UHFFFAOYSA-N 1 0 343.383 2.716 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684349 475816342 /nfs/dbraw/zinc/81/63/42/475816342.db2.gz PEXPDLZEEZARDE-CJNGLKHVSA-N 1 0 345.399 2.815 10 5 EFBERO COC(=O)c1cc(N(C)CCC[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000358663304 475843728 /nfs/dbraw/zinc/84/37/28/475843728.db2.gz KEUQVANGLHPTGD-UHFFFAOYSA-N 1 0 335.404 2.612 10 5 EFBERO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)[nH]1 ZINC000362071958 475976997 /nfs/dbraw/zinc/97/69/97/475976997.db2.gz KDCVMLVNQVIAEU-UHFFFAOYSA-N 1 0 345.403 2.664 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000340375655 475992058 /nfs/dbraw/zinc/99/20/58/475992058.db2.gz SZFKNBXNEYRSBI-DLBZAZTESA-N 1 0 343.358 2.909 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000347006121 476025368 /nfs/dbraw/zinc/02/53/68/476025368.db2.gz FIUPRHUTILGPAA-GFCCVEGCSA-N 1 0 335.429 2.625 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440087 476037163 /nfs/dbraw/zinc/03/71/63/476037163.db2.gz NXHMANNVHMBDDC-CABCVRRESA-N 1 0 333.392 2.924 10 5 EFBERO NC(=O)C1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000340461046 476048200 /nfs/dbraw/zinc/04/82/00/476048200.db2.gz LFHYLINGGBQFGR-UHFFFAOYSA-N 1 0 343.383 2.989 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340510255 476074344 /nfs/dbraw/zinc/07/43/44/476074344.db2.gz VHAGFTBLCKJCOW-GUTXKFCHSA-N 1 0 346.431 2.776 10 5 EFBERO CC[NH+](CC)[C@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353589511 476103814 /nfs/dbraw/zinc/10/38/14/476103814.db2.gz HELWJNJVRAWIOJ-RHSMWYFYSA-N 1 0 345.447 2.738 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnn(CC(F)(F)F)c1)CC2 ZINC000353608367 476119302 /nfs/dbraw/zinc/11/93/02/476119302.db2.gz GONCXNAEMYOBBA-UHFFFAOYSA-N 1 0 340.305 2.912 10 5 EFBERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338703983 476120573 /nfs/dbraw/zinc/12/05/73/476120573.db2.gz BDZOLMIPUADBHA-ZDUSSCGKSA-N 1 0 331.397 2.692 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340586198 476125087 /nfs/dbraw/zinc/12/50/87/476125087.db2.gz NUVUVGYLZGYQAK-OLZOCXBDSA-N 1 0 335.795 2.839 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340586200 476125155 /nfs/dbraw/zinc/12/51/55/476125155.db2.gz NUVUVGYLZGYQAK-STQMWFEESA-N 1 0 335.795 2.839 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340586197 476125178 /nfs/dbraw/zinc/12/51/78/476125178.db2.gz NUVUVGYLZGYQAK-CHWSQXEVSA-N 1 0 335.795 2.839 10 5 EFBERO C[NH+](C)Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)ccc1F ZINC000357037373 476178685 /nfs/dbraw/zinc/17/86/85/476178685.db2.gz YITZQJCZKGPKHC-UHFFFAOYSA-N 1 0 331.307 2.841 10 5 EFBERO COc1ccc(C[C@](C)([NH3+])CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359104956 476192159 /nfs/dbraw/zinc/19/21/59/476192159.db2.gz WELUCDOYICJZJT-SFHVURJKSA-N 1 0 344.415 2.987 10 5 EFBERO CSc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000338829670 476220078 /nfs/dbraw/zinc/22/00/78/476220078.db2.gz DOTNUAHZIZLHCL-OAHLLOKOSA-N 1 0 332.429 2.848 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c2c(c1)COCO2 ZINC000353743299 476235571 /nfs/dbraw/zinc/23/55/71/476235571.db2.gz CFNKSBQUWUTBNH-SFHVURJKSA-N 1 0 348.399 2.854 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)n2)cc1 ZINC000362450314 476260210 /nfs/dbraw/zinc/26/02/10/476260210.db2.gz JPDXXEFDGLSBED-UKRRQHHQSA-N 1 0 344.371 2.646 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324662 476278970 /nfs/dbraw/zinc/27/89/70/476278970.db2.gz UYLRAFSCYPBYOD-NEPJUHHUSA-N 1 0 334.372 2.970 10 5 EFBERO CC(C)c1[nH]nc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1[N+](=O)[O-] ZINC000351042979 476326763 /nfs/dbraw/zinc/32/67/63/476326763.db2.gz DKCWAOBCVBCQCI-UHFFFAOYSA-N 1 0 339.315 2.806 10 5 EFBERO C[C@H]1C[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[N@@H+]1C ZINC000351222352 476368702 /nfs/dbraw/zinc/36/87/02/476368702.db2.gz OAEZWJDWCZCPGP-STQMWFEESA-N 1 0 345.403 2.830 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000362760953 476392770 /nfs/dbraw/zinc/39/27/70/476392770.db2.gz YTYWLWPFFCAKSR-SFHVURJKSA-N 1 0 327.384 2.903 10 5 EFBERO C[C@H]1C[NH+](Cc2cccc(Nc3ccncc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000361004724 476537006 /nfs/dbraw/zinc/53/70/06/476537006.db2.gz ZRJVRROTRWMFLN-KBPBESRZSA-N 1 0 342.399 2.765 10 5 EFBERO C[C@@]1(CNc2ccncc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000361006344 476538767 /nfs/dbraw/zinc/53/87/67/476538767.db2.gz CZAIHVFXTDYGSA-SFHVURJKSA-N 1 0 326.400 2.878 10 5 EFBERO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369864087 476561952 /nfs/dbraw/zinc/56/19/52/476561952.db2.gz NOVAVANUVXJGSO-GOSISDBHSA-N 1 0 345.374 2.559 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000357775890 476594215 /nfs/dbraw/zinc/59/42/15/476594215.db2.gz RQZDNIRTHSKHDQ-LBPRGKRZSA-N 1 0 338.408 2.617 10 5 EFBERO CC[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363312513 476647586 /nfs/dbraw/zinc/64/75/86/476647586.db2.gz LUOMKWDHGPEPTK-IAGOWNOFSA-N 1 0 346.431 2.926 10 5 EFBERO CO[C@H](C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000354454997 476671812 /nfs/dbraw/zinc/67/18/12/476671812.db2.gz NVMQMQBJFMTWCW-CQSZACIVSA-N 1 0 337.420 2.977 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451905837 476715211 /nfs/dbraw/zinc/71/52/11/476715211.db2.gz SLSQBQZLMYPDAO-KBXCAEBGSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375279775 476754085 /nfs/dbraw/zinc/75/40/85/476754085.db2.gz OTPAQLQCOOQFEM-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445812217 476771911 /nfs/dbraw/zinc/77/19/11/476771911.db2.gz WRADUAKXZNIJQQ-SFHVURJKSA-N 1 0 340.383 2.978 10 5 EFBERO CC[NH2+][C@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000387653003 476773501 /nfs/dbraw/zinc/77/35/01/476773501.db2.gz LBHAUKPCEPKPNL-MRVPVSSYSA-N 1 0 349.172 2.609 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430225741 476785870 /nfs/dbraw/zinc/78/58/70/476785870.db2.gz MUVVTCFENGUAHQ-UHFFFAOYSA-N 1 0 349.431 2.684 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000452083160 476811480 /nfs/dbraw/zinc/81/14/80/476811480.db2.gz LQBNOLCJAWCHIG-CYBMUJFWSA-N 1 0 346.387 2.893 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452094452 476818490 /nfs/dbraw/zinc/81/84/90/476818490.db2.gz WFBVNKBDHXTYQP-ZIAGYGMSSA-N 1 0 335.404 2.670 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452096280 476820542 /nfs/dbraw/zinc/82/05/42/476820542.db2.gz YBKOCKIWUYBLFQ-UONOGXRCSA-N 1 0 335.404 2.670 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446075454 476823147 /nfs/dbraw/zinc/82/31/47/476823147.db2.gz YQQXGEDGTIAKQH-IHRRRGAJSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452110131 476829690 /nfs/dbraw/zinc/82/96/90/476829690.db2.gz YCVHPFOXYYTMMD-CQSZACIVSA-N 1 0 335.404 2.672 10 5 EFBERO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452109696 476829786 /nfs/dbraw/zinc/82/97/86/476829786.db2.gz WXSOBGDJSUAZNP-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000446315383 476859628 /nfs/dbraw/zinc/85/96/28/476859628.db2.gz IZVYEMGTWLMREY-CMPLNLGQSA-N 1 0 325.796 2.769 10 5 EFBERO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946881 476895053 /nfs/dbraw/zinc/89/50/53/476895053.db2.gz UTIKCZPXVUTQPV-WBMJQRKESA-N 1 0 345.399 2.951 10 5 EFBERO CC[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415664348 476952180 /nfs/dbraw/zinc/95/21/80/476952180.db2.gz SZFFAIKPGIDLKX-VIFPVBQESA-N 1 0 345.197 2.525 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452569354 477003708 /nfs/dbraw/zinc/00/37/08/477003708.db2.gz IZCHRJCRJFCEGT-CYBMUJFWSA-N 1 0 347.415 2.550 10 5 EFBERO C[C@@H]1CCC[N@H+](CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447678607 477033432 /nfs/dbraw/zinc/03/34/32/477033432.db2.gz LALVAUUPFCSCSP-CYBMUJFWSA-N 1 0 331.420 2.817 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000447802245 477060618 /nfs/dbraw/zinc/06/06/18/477060618.db2.gz ITGYKKNDQJOKPE-JTQLQIEISA-N 1 0 341.795 2.929 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366550637 477065901 /nfs/dbraw/zinc/06/59/01/477065901.db2.gz GTLOHNABVRXJGJ-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO Cc1cc(OCC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431634934 477066271 /nfs/dbraw/zinc/06/62/71/477066271.db2.gz HZPLYKXJBDTRTC-GJZGRUSLSA-N 1 0 349.431 2.661 10 5 EFBERO CN(C)CC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432317146 477192810 /nfs/dbraw/zinc/19/28/10/477192810.db2.gz FSVFWZFSSSQQFO-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236827 477196141 /nfs/dbraw/zinc/19/61/41/477196141.db2.gz OHRDFLQXNMRVRF-TZMCWYRMSA-N 1 0 346.408 2.817 10 5 EFBERO CCC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262207 477202876 /nfs/dbraw/zinc/20/28/76/477202876.db2.gz KMJJBGYIAIKKEV-QZTJIDSGSA-N 1 0 335.448 2.872 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000376161019 477203920 /nfs/dbraw/zinc/20/39/20/477203920.db2.gz GCDKNGJRQFKZEQ-TZDHZFECSA-N 1 0 331.416 2.515 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423973088 477239229 /nfs/dbraw/zinc/23/92/29/477239229.db2.gz MMMFPIUOEVOYAW-IAQYHMDHSA-N 1 0 337.807 2.852 10 5 EFBERO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008848 477295846 /nfs/dbraw/zinc/29/58/46/477295846.db2.gz FEHJIYKAJAEREA-ZOCIIQOWSA-N 1 0 342.395 2.814 10 5 EFBERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000458167256 477298366 /nfs/dbraw/zinc/29/83/66/477298366.db2.gz MKJLSFAWUIBKAX-LBPRGKRZSA-N 1 0 330.388 2.538 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000433024967 477299168 /nfs/dbraw/zinc/29/91/68/477299168.db2.gz GCQPSVIGNHCUFS-ZDUSSCGKSA-N 1 0 348.399 2.911 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433302294 477322254 /nfs/dbraw/zinc/32/22/54/477322254.db2.gz XIQPLAIUMHYCPQ-ZEPSKSRBSA-N 1 0 331.416 2.951 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288953 477322557 /nfs/dbraw/zinc/32/25/57/477322557.db2.gz NNTGGVGXPBBYMQ-AEFFLSMTSA-N 1 0 334.416 2.696 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376493140 477361779 /nfs/dbraw/zinc/36/17/79/477361779.db2.gz XWLOSVMTVDOERH-ZFWWWQNUSA-N 1 0 347.415 2.692 10 5 EFBERO O=C(CC[N@@H+]1CCOC[C@@H]1CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411775195 477363253 /nfs/dbraw/zinc/36/32/53/477363253.db2.gz XGKCBRWLXZJVGU-KRWDZBQOSA-N 1 0 347.415 2.814 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411969020 477400245 /nfs/dbraw/zinc/40/02/45/477400245.db2.gz PKZBSKBXLRWSRB-AUUYWEPGSA-N 1 0 339.395 2.785 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458886788 477642972 /nfs/dbraw/zinc/64/29/72/477642972.db2.gz IRFLRLNSIJAGLS-BLLLJJGKSA-N 1 0 332.404 2.534 10 5 EFBERO COC(=O)COc1ccc(C[N@H+](C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000426530973 477715470 /nfs/dbraw/zinc/71/54/70/477715470.db2.gz QQDNXACDNFCFOW-UHFFFAOYSA-N 1 0 336.388 2.911 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451101218 477824322 /nfs/dbraw/zinc/82/43/22/477824322.db2.gz BGQIKFQSUFHTCN-JTQLQIEISA-N 1 0 346.412 2.829 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576591 477890164 /nfs/dbraw/zinc/89/01/64/477890164.db2.gz JMLAJXQKWKRZMY-KRWDZBQOSA-N 1 0 344.415 2.609 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000451230651 477891989 /nfs/dbraw/zinc/89/19/89/477891989.db2.gz OLHDPLMIFFPYFQ-KGLIPLIRSA-N 1 0 336.388 2.685 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451236095 477895665 /nfs/dbraw/zinc/89/56/65/477895665.db2.gz MWRVQQQUDHWXFZ-OLZOCXBDSA-N 1 0 346.387 2.683 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451299929 477938756 /nfs/dbraw/zinc/93/87/56/477938756.db2.gz KVKIXXHQMCLRGM-NWANDNLSSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344126 477964990 /nfs/dbraw/zinc/96/49/90/477964990.db2.gz PETXMVBOGHUZNN-BFYDXBDKSA-N 1 0 334.416 2.989 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516655532 477968481 /nfs/dbraw/zinc/96/84/81/477968481.db2.gz FFRGALGSYHGCGZ-XEZPLFJOSA-N 1 0 337.420 2.699 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360658 477973679 /nfs/dbraw/zinc/97/36/79/477973679.db2.gz FOEGNPDSXUIJGO-DFHZNHDVSA-N 1 0 341.411 2.986 10 5 EFBERO C[C@@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368207 477977519 /nfs/dbraw/zinc/97/75/19/477977519.db2.gz LBHOPAMDMFHVNS-NPSOMJIGSA-N 1 0 327.384 2.677 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000516958591 478023404 /nfs/dbraw/zinc/02/34/04/478023404.db2.gz IXYIJALBPDFFIV-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000494648770 478034486 /nfs/dbraw/zinc/03/44/86/478034486.db2.gz PXODKNCGKHOVFW-GFCCVEGCSA-N 1 0 349.412 2.535 10 5 EFBERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421377729 478063203 /nfs/dbraw/zinc/06/32/03/478063203.db2.gz HZWPYLQWSQCVMT-GFCCVEGCSA-N 1 0 345.424 2.891 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000533567361 478101680 /nfs/dbraw/zinc/10/16/80/478101680.db2.gz BHAMILOXYNKTSS-UHFFFAOYSA-N 1 0 346.431 2.718 10 5 EFBERO CC[NH2+]CCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000517564391 478102475 /nfs/dbraw/zinc/10/24/75/478102475.db2.gz CEPXKQSWHURHCW-CQSZACIVSA-N 1 0 348.447 2.561 10 5 EFBERO CC(C)C[N@@H+]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488084669 478116618 /nfs/dbraw/zinc/11/66/18/478116618.db2.gz RRCNDPJTNMHSCR-CQSZACIVSA-N 1 0 328.416 2.955 10 5 EFBERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000535813458 478233072 /nfs/dbraw/zinc/23/30/72/478233072.db2.gz RKJHJOANRASQBA-UHFFFAOYSA-N 1 0 340.383 2.880 10 5 EFBERO Cc1ccc(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600201469 478279503 /nfs/dbraw/zinc/27/95/03/478279503.db2.gz MZHUITNMYVPTDY-UHFFFAOYSA-N 1 0 333.432 2.590 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600202377 478279561 /nfs/dbraw/zinc/27/95/61/478279561.db2.gz GYBJNOYSKTYFRO-BBKUJAPLSA-N 1 0 334.441 2.984 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097796 478281929 /nfs/dbraw/zinc/28/19/29/478281929.db2.gz LETYMMJAJRFCBN-GXFFZTMASA-N 1 0 343.811 2.573 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594228477 478286546 /nfs/dbraw/zinc/28/65/46/478286546.db2.gz USLJNWMDHVJFKV-WOVMCDHWSA-N 1 0 348.447 2.557 10 5 EFBERO CC[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594229447 478287410 /nfs/dbraw/zinc/28/74/10/478287410.db2.gz CYXKPSSNMLEPDY-UHOFOFEASA-N 1 0 334.420 2.685 10 5 EFBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229353 478299256 /nfs/dbraw/zinc/29/92/56/478299256.db2.gz JSWAGCDJCONFRI-INIZCTEOSA-N 1 0 349.406 2.800 10 5 EFBERO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590707991 478300821 /nfs/dbraw/zinc/30/08/21/478300821.db2.gz BGHMLKURRGDFKS-HNNXBMFYSA-N 1 0 336.436 2.592 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000590808391 478348774 /nfs/dbraw/zinc/34/87/74/478348774.db2.gz OFLCPFWSEZOVRT-JKSUJKDBSA-N 1 0 346.431 2.578 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000590808389 478349399 /nfs/dbraw/zinc/34/93/99/478349399.db2.gz OFLCPFWSEZOVRT-HOTGVXAUSA-N 1 0 346.431 2.578 10 5 EFBERO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562797076 478352213 /nfs/dbraw/zinc/35/22/13/478352213.db2.gz SHFUHDIQGQDXIB-QGZVFWFLSA-N 1 0 342.399 2.656 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600472186 478382594 /nfs/dbraw/zinc/38/25/94/478382594.db2.gz MZPDGXPCISQKMF-GFCCVEGCSA-N 1 0 337.807 2.995 10 5 EFBERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1C ZINC000600469869 478383603 /nfs/dbraw/zinc/38/36/03/478383603.db2.gz LTRBFSBREAUZAS-HNNXBMFYSA-N 1 0 347.415 2.659 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCCC3)O1)OCCO2 ZINC000594522447 478425392 /nfs/dbraw/zinc/42/53/92/478425392.db2.gz IMRSSKGRGYWIKT-CQSZACIVSA-N 1 0 348.399 2.947 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000594591185 478452083 /nfs/dbraw/zinc/45/20/83/478452083.db2.gz GMPKKQZYAUOHRL-WAAGHKOSSA-N 1 0 329.198 2.504 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000594591767 478452761 /nfs/dbraw/zinc/45/27/61/478452761.db2.gz JXCMRALHOKWZOB-OTVXOJSOSA-N 1 0 326.400 2.831 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000597665797 478454377 /nfs/dbraw/zinc/45/43/77/478454377.db2.gz GMYBRLQDDWFMEL-UHFFFAOYSA-N 1 0 343.383 2.899 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594596552 478455608 /nfs/dbraw/zinc/45/56/08/478455608.db2.gz AOCVVFYDKBPKJJ-ZFWWWQNUSA-N 1 0 333.388 2.810 10 5 EFBERO [NH3+]Cc1cccc2c1N(CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000600724712 478488241 /nfs/dbraw/zinc/48/82/41/478488241.db2.gz ZIYAXTHRSGHMST-UHFFFAOYSA-N 1 0 327.384 2.885 10 5 EFBERO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764421 478509682 /nfs/dbraw/zinc/50/96/82/478509682.db2.gz ZYIUNMSIRCAGRH-LBPRGKRZSA-N 1 0 346.374 2.996 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000591298706 478514367 /nfs/dbraw/zinc/51/43/67/478514367.db2.gz XGFPLGGDYUBWJW-OKILXGFUSA-N 1 0 332.404 2.675 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776738 478514402 /nfs/dbraw/zinc/51/44/02/478514402.db2.gz RMHSTFDJYZNKQS-OCCSQVGLSA-N 1 0 331.338 2.862 10 5 EFBERO C[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)N1CC[NH2+]CC1 ZINC000600781572 478518252 /nfs/dbraw/zinc/51/82/52/478518252.db2.gz FCZNQXUQQOGGKU-CQSZACIVSA-N 1 0 341.411 2.720 10 5 EFBERO COC(=O)c1ccc(-c2cccc([C@@H]3COCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000600783688 478519639 /nfs/dbraw/zinc/51/96/39/478519639.db2.gz GPTDCNIFKLVBIA-INIZCTEOSA-N 1 0 342.351 2.709 10 5 EFBERO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145721 478521454 /nfs/dbraw/zinc/52/14/54/478521454.db2.gz SDDJHVZEVPZTKF-KPZWWZAWSA-N 1 0 328.416 2.691 10 5 EFBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C[C@H]3CC[NH2+]C3)c2)c1 ZINC000600790400 478523150 /nfs/dbraw/zinc/52/31/50/478523150.db2.gz AITVAVCVCSORRO-OAHLLOKOSA-N 1 0 326.396 2.949 10 5 EFBERO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594739271 478523412 /nfs/dbraw/zinc/52/34/12/478523412.db2.gz RQPYRHQQLAWSFI-IAGOWNOFSA-N 1 0 341.411 2.839 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000591354707 478534194 /nfs/dbraw/zinc/53/41/94/478534194.db2.gz PXVNDTJAKBABRB-CWRNSKLLSA-N 1 0 346.431 2.605 10 5 EFBERO CCC1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000541208717 478540588 /nfs/dbraw/zinc/54/05/88/478540588.db2.gz WWBIYIBLWBNUIF-ZDUSSCGKSA-N 1 0 335.404 2.861 10 5 EFBERO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856845 478542243 /nfs/dbraw/zinc/54/22/43/478542243.db2.gz BFUINLXGWMESLG-DGCLKSJQSA-N 1 0 337.395 2.826 10 5 EFBERO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC[NH+](C)CC1 ZINC000600887541 478553254 /nfs/dbraw/zinc/55/32/54/478553254.db2.gz WXMCHIMYULQYSS-UHFFFAOYSA-N 1 0 331.416 2.569 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000597946311 478590758 /nfs/dbraw/zinc/59/07/58/478590758.db2.gz OCJLWWSFPROMLT-DOTOQJQBSA-N 1 0 333.432 2.716 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000597946312 478591017 /nfs/dbraw/zinc/59/10/17/478591017.db2.gz OCJLWWSFPROMLT-NVXWUHKLSA-N 1 0 333.432 2.716 10 5 EFBERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594935202 478594436 /nfs/dbraw/zinc/59/44/36/478594436.db2.gz HWHRQSKPXLKHSG-UHFFFAOYSA-N 1 0 328.294 2.679 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000594954075 478602206 /nfs/dbraw/zinc/60/22/06/478602206.db2.gz XJMXVESGWRGSRU-KBXCAEBGSA-N 1 0 346.383 2.996 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000594952714 478603385 /nfs/dbraw/zinc/60/33/85/478603385.db2.gz REIUBEHMNJRHMG-UGSOOPFHSA-N 1 0 346.383 2.996 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594967551 478610680 /nfs/dbraw/zinc/61/06/80/478610680.db2.gz VGHLKYSPGRIHND-SBBZOJNGSA-N 1 0 334.416 2.764 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594974478 478613111 /nfs/dbraw/zinc/61/31/11/478613111.db2.gz MEFIPASHMTTZAY-UGQYRENISA-N 1 0 338.429 2.553 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000594974705 478613775 /nfs/dbraw/zinc/61/37/75/478613775.db2.gz GEJBCHXVUBSDDJ-ILXRZTDVSA-N 1 0 348.399 2.672 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000594993849 478621040 /nfs/dbraw/zinc/62/10/40/478621040.db2.gz RWRVEDVMVHQFAE-QGZVFWFLSA-N 1 0 336.388 2.671 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)Cc3ccccc3)c2c1 ZINC000591767726 478625328 /nfs/dbraw/zinc/62/53/28/478625328.db2.gz PXFKWJDSYWUKHJ-QGZVFWFLSA-N 1 0 339.395 2.812 10 5 EFBERO CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@H+](CC)C1 ZINC000598038479 478626570 /nfs/dbraw/zinc/62/65/70/478626570.db2.gz DLZPVIIQQBEGTA-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000598039450 478626728 /nfs/dbraw/zinc/62/67/28/478626728.db2.gz KDILLHOATUVEST-GXTWGEPZSA-N 1 0 337.395 2.780 10 5 EFBERO CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000598039452 478627206 /nfs/dbraw/zinc/62/72/06/478627206.db2.gz KDILLHOATUVEST-JSGCOSHPSA-N 1 0 337.395 2.780 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCn4nccc43)c2c1 ZINC000595052208 478641794 /nfs/dbraw/zinc/64/17/94/478641794.db2.gz RFKUKFPABVFLQT-INIZCTEOSA-N 1 0 325.372 2.940 10 5 EFBERO COC1CC(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595048742 478642225 /nfs/dbraw/zinc/64/22/25/478642225.db2.gz MFSDMKXBIBVMFJ-VEAWUBTESA-N 1 0 335.404 2.717 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595059015 478645229 /nfs/dbraw/zinc/64/52/29/478645229.db2.gz FHGHURQXRGHKPN-CSMYWGQOSA-N 1 0 334.416 2.958 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595061134 478646819 /nfs/dbraw/zinc/64/68/19/478646819.db2.gz PPTCXMRZLPTIFX-ITQYTPKQSA-N 1 0 348.443 2.947 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CC1(F)F ZINC000595078914 478652778 /nfs/dbraw/zinc/65/27/78/478652778.db2.gz HIXVBIYWDIEBFZ-HZMBPMFUSA-N 1 0 327.331 2.947 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CCc2cncc(C)n2)cc1[N+](=O)[O-] ZINC000595092321 478657509 /nfs/dbraw/zinc/65/75/09/478657509.db2.gz YCFKJDUUKREMLF-ZDUSSCGKSA-N 1 0 330.388 2.985 10 5 EFBERO CCC[NH+]1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601108437 478661596 /nfs/dbraw/zinc/66/15/96/478661596.db2.gz HLMGBMUWKHXHFZ-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)nc2c1 ZINC000571730798 478662112 /nfs/dbraw/zinc/66/21/12/478662112.db2.gz SYTDXTDXGRDAGT-HOCLYGCPSA-N 1 0 345.403 2.526 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595104293 478662495 /nfs/dbraw/zinc/66/24/95/478662495.db2.gz OPKJBGBJPVBKCB-GOEBONIOSA-N 1 0 346.431 2.844 10 5 EFBERO CC[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105896 478662531 /nfs/dbraw/zinc/66/25/31/478662531.db2.gz UEMWWBKLBMPNBA-IRXDYDNUSA-N 1 0 346.431 2.926 10 5 EFBERO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108064 478664137 /nfs/dbraw/zinc/66/41/37/478664137.db2.gz ZCPYQAVUUIMOGZ-CJNGLKHVSA-N 1 0 332.404 2.536 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000601119240 478666900 /nfs/dbraw/zinc/66/69/00/478666900.db2.gz WADMFAXUKUOJRL-UHFFFAOYSA-N 1 0 338.383 2.576 10 5 EFBERO CC[NH+](CC)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601122000 478669796 /nfs/dbraw/zinc/66/97/96/478669796.db2.gz VQSYDURFUAZOJD-JTQLQIEISA-N 1 0 349.357 2.515 10 5 EFBERO CC[NH+](CC)CCSc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121771 478669826 /nfs/dbraw/zinc/66/98/26/478669826.db2.gz URQYXJLCWHBDDV-UHFFFAOYSA-N 1 0 326.344 2.781 10 5 EFBERO CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591893382 478679447 /nfs/dbraw/zinc/67/94/47/478679447.db2.gz ABDIYEVGROABOV-PBHICJAKSA-N 1 0 345.443 2.863 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894659 478680982 /nfs/dbraw/zinc/68/09/82/478680982.db2.gz VYERRGQZKBGCPE-HOCLYGCPSA-N 1 0 331.416 2.816 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162131 478683230 /nfs/dbraw/zinc/68/32/30/478683230.db2.gz VPSKQNCZOWSYDU-UHFFFAOYSA-N 1 0 337.445 2.731 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000582796148 478689627 /nfs/dbraw/zinc/68/96/27/478689627.db2.gz KSWXKMVDXLFMMX-OAHLLOKOSA-N 1 0 342.351 2.979 10 5 EFBERO CCOc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601150366 478691192 /nfs/dbraw/zinc/69/11/92/478691192.db2.gz WHCISQLIRPRPRH-SFHVURJKSA-N 1 0 330.384 2.991 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225214 478693087 /nfs/dbraw/zinc/69/30/87/478693087.db2.gz KFFZXZXFVMYOTR-WMLDXEAASA-N 1 0 331.416 2.898 10 5 EFBERO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000601154022 478693510 /nfs/dbraw/zinc/69/35/10/478693510.db2.gz WRTKWDHBQBUGIO-SFHVURJKSA-N 1 0 348.374 2.826 10 5 EFBERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000595230915 478695475 /nfs/dbraw/zinc/69/54/75/478695475.db2.gz HPHJOYDEOKZBMV-UHFFFAOYSA-N 1 0 344.293 2.569 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC([NH+]2CCCCC2)C1 ZINC000601157952 478696664 /nfs/dbraw/zinc/69/66/64/478696664.db2.gz JWJSIXUDRHGNTQ-UHFFFAOYSA-N 1 0 347.341 2.776 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595233893 478697649 /nfs/dbraw/zinc/69/76/49/478697649.db2.gz YWYLESNNTLZSDX-CQSZACIVSA-N 1 0 332.404 2.838 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000564156507 478699597 /nfs/dbraw/zinc/69/95/97/478699597.db2.gz WWLVPAKABJYGOV-CABCVRRESA-N 1 0 333.432 2.841 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000564156511 478700027 /nfs/dbraw/zinc/70/00/27/478700027.db2.gz WWLVPAKABJYGOV-GJZGRUSLSA-N 1 0 333.432 2.841 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC(C)(C)CCC[NH+](C)C ZINC000601171564 478704510 /nfs/dbraw/zinc/70/45/10/478704510.db2.gz OFFATIXUBTUEHL-UHFFFAOYSA-N 1 0 337.346 2.879 10 5 EFBERO Cc1sc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595257595 478705113 /nfs/dbraw/zinc/70/51/13/478705113.db2.gz MDKNAOHMOGBMTC-CQSZACIVSA-N 1 0 347.396 2.878 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000595259168 478705897 /nfs/dbraw/zinc/70/58/97/478705897.db2.gz YMGZKGHXRVNVFX-KRWDZBQOSA-N 1 0 341.367 2.816 10 5 EFBERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000595268370 478706995 /nfs/dbraw/zinc/70/69/95/478706995.db2.gz HNOFYGSKWNYNGX-CHWSQXEVSA-N 1 0 331.397 2.532 10 5 EFBERO C[N@@H+]1CCC[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@@H]21 ZINC000591923335 478709544 /nfs/dbraw/zinc/70/95/44/478709544.db2.gz LORWMJHRBJNPHO-ZBFHGGJFSA-N 1 0 330.432 2.789 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595275337 478709594 /nfs/dbraw/zinc/70/95/94/478709594.db2.gz KGBRJSOHWRNQDM-MRXNPFEDSA-N 1 0 334.420 2.642 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000542972989 478711148 /nfs/dbraw/zinc/71/11/48/478711148.db2.gz JLELNJNGCCABNK-CYBMUJFWSA-N 1 0 335.404 2.915 10 5 EFBERO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000595285929 478713511 /nfs/dbraw/zinc/71/35/11/478713511.db2.gz BYHYBPUHWCCQPY-QGZVFWFLSA-N 1 0 348.447 2.707 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000601190465 478715050 /nfs/dbraw/zinc/71/50/50/478715050.db2.gz ZGLSPESHTJSUOD-ZJUUUORDSA-N 1 0 347.341 2.776 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000601217412 478728552 /nfs/dbraw/zinc/72/85/52/478728552.db2.gz DWPVODVGZGADJJ-UHFFFAOYSA-N 1 0 335.452 2.964 10 5 EFBERO Cc1noc(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595339660 478738503 /nfs/dbraw/zinc/73/85/03/478738503.db2.gz ZPKBRNMNXSFVAO-CQSZACIVSA-N 1 0 344.415 2.988 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601260743 478751684 /nfs/dbraw/zinc/75/16/84/478751684.db2.gz SORSDUGHSFIOLW-QGZVFWFLSA-N 1 0 345.443 2.959 10 5 EFBERO Cc1noc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595385415 478756589 /nfs/dbraw/zinc/75/65/89/478756589.db2.gz VYRQLMYFIBYWLY-HNNXBMFYSA-N 1 0 330.388 2.598 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[N@@H+]1C1CC1 ZINC000601300027 478772627 /nfs/dbraw/zinc/77/26/27/478772627.db2.gz ULVKXJNTOKWUCE-UKRRQHHQSA-N 1 0 343.427 2.758 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[N@@H+]1C1CC1 ZINC000601300026 478772945 /nfs/dbraw/zinc/77/29/45/478772945.db2.gz ULVKXJNTOKWUCE-HIFRSBDPSA-N 1 0 343.427 2.758 10 5 EFBERO CCC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132955 478790574 /nfs/dbraw/zinc/79/05/74/478790574.db2.gz QCNGGXJDSCXNNA-ULQDDVLXSA-N 1 0 336.432 2.861 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592172968 478813111 /nfs/dbraw/zinc/81/31/11/478813111.db2.gz NBHSBJKSBIXBRS-DFBGVHRSSA-N 1 0 344.408 2.741 10 5 EFBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592185582 478816587 /nfs/dbraw/zinc/81/65/87/478816587.db2.gz ZXOLEDZEWLDKTE-YGRLFVJLSA-N 1 0 345.321 2.656 10 5 EFBERO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ncsc2C1 ZINC000592189872 478820850 /nfs/dbraw/zinc/82/08/50/478820850.db2.gz YMHVNBDVAIFDGK-CYBMUJFWSA-N 1 0 349.460 2.907 10 5 EFBERO COc1cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000595499568 478821492 /nfs/dbraw/zinc/82/14/92/478821492.db2.gz MQSUBKHNCPCXDS-KRWDZBQOSA-N 1 0 345.399 2.848 10 5 EFBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595505588 478825563 /nfs/dbraw/zinc/82/55/63/478825563.db2.gz SYPBGAAGGWOLSM-OAGGEKHMSA-N 1 0 343.427 2.789 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CCc1ccccc1)C2 ZINC000544402452 478833087 /nfs/dbraw/zinc/83/30/87/478833087.db2.gz MPWQGWMVSDOQFZ-QGZVFWFLSA-N 1 0 326.396 2.947 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598464754 478836233 /nfs/dbraw/zinc/83/62/33/478836233.db2.gz GNEZBONJCYXWOT-UHFFFAOYSA-N 1 0 349.431 2.794 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598466583 478837832 /nfs/dbraw/zinc/83/78/32/478837832.db2.gz QBLUONGOENMJMC-UHFFFAOYSA-N 1 0 337.420 2.600 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598465144 478838245 /nfs/dbraw/zinc/83/82/45/478838245.db2.gz FCUDGJWCUMDGHQ-UHFFFAOYSA-N 1 0 332.404 2.926 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598466790 478838314 /nfs/dbraw/zinc/83/83/14/478838314.db2.gz VICVLFIXEPDHHK-UHFFFAOYSA-N 1 0 332.404 2.926 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598466127 478838379 /nfs/dbraw/zinc/83/83/79/478838379.db2.gz KKVNXVGUXOYAPO-UHFFFAOYSA-N 1 0 336.436 2.633 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592256408 478843808 /nfs/dbraw/zinc/84/38/08/478843808.db2.gz YUODPZOICGZGFX-OLZOCXBDSA-N 1 0 337.445 2.817 10 5 EFBERO Cc1noc(CN2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595562379 478858104 /nfs/dbraw/zinc/85/81/04/478858104.db2.gz JOQXKJSNKWXBMF-JQWIXIFHSA-N 1 0 339.392 2.691 10 5 EFBERO Cc1c(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595588061 478871412 /nfs/dbraw/zinc/87/14/12/478871412.db2.gz ONVMDOYXQPOSQR-CQSZACIVSA-N 1 0 334.420 2.575 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601554925 478876600 /nfs/dbraw/zinc/87/66/00/478876600.db2.gz BHWAQQLMVMWSHM-WOSRLPQWSA-N 1 0 349.456 2.676 10 5 EFBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCC2 ZINC000592387670 478880697 /nfs/dbraw/zinc/88/06/97/478880697.db2.gz DIBGDXTZRGTMTL-ZDUSSCGKSA-N 1 0 330.388 2.857 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000601564385 478882496 /nfs/dbraw/zinc/88/24/96/478882496.db2.gz ADVGSNIPAUJIQR-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000592393665 478882552 /nfs/dbraw/zinc/88/25/52/478882552.db2.gz IVTRMHFQQMETCV-GDBMZVCRSA-N 1 0 343.431 2.657 10 5 EFBERO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H](C)[NH2+]1 ZINC000598532206 478882819 /nfs/dbraw/zinc/88/28/19/478882819.db2.gz UUJZWFOAURISJX-GXTWGEPZSA-N 1 0 335.404 2.595 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537437 478938873 /nfs/dbraw/zinc/93/88/73/478938873.db2.gz CERCQFWKKHHISH-CJNGLKHVSA-N 1 0 349.456 2.678 10 5 EFBERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592569646 478944651 /nfs/dbraw/zinc/94/46/51/478944651.db2.gz AAPWYIHZUJGJOS-HNNXBMFYSA-N 1 0 329.356 2.746 10 5 EFBERO C[C@@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1O ZINC000595743554 478971030 /nfs/dbraw/zinc/97/10/30/478971030.db2.gz OEKKFBDACPSZEG-VXGBXAGGSA-N 1 0 331.372 2.699 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601739060 478977532 /nfs/dbraw/zinc/97/75/32/478977532.db2.gz KZWIQTABCORIAZ-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO COc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601741000 478979029 /nfs/dbraw/zinc/97/90/29/478979029.db2.gz ZGMSBPYRLFHKIJ-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000601740579 478979428 /nfs/dbraw/zinc/97/94/28/478979428.db2.gz VQWYASIIFKUYMI-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000601745826 478982048 /nfs/dbraw/zinc/98/20/48/478982048.db2.gz YZRMOWZJVJGKQW-UHFFFAOYSA-N 1 0 346.431 2.779 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000595766430 478984483 /nfs/dbraw/zinc/98/44/83/478984483.db2.gz HGFWXLVRIRPXCF-UHFFFAOYSA-N 1 0 345.374 2.808 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000595767789 478986169 /nfs/dbraw/zinc/98/61/69/478986169.db2.gz CTXYSXBNTRMCSO-HOTGVXAUSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595771484 478988884 /nfs/dbraw/zinc/98/88/84/478988884.db2.gz PRAHICZDDHYYMT-YJBOKZPZSA-N 1 0 344.415 2.708 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000595771399 478989221 /nfs/dbraw/zinc/98/92/21/478989221.db2.gz PAIJINMAIFTWDO-CRAIPNDOSA-N 1 0 344.415 2.708 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771940 478989456 /nfs/dbraw/zinc/98/94/56/478989456.db2.gz QWFZKFGRRWOSAW-CJNGLKHVSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771939 478989567 /nfs/dbraw/zinc/98/95/67/478989567.db2.gz QWFZKFGRRWOSAW-BBRMVZONSA-N 1 0 332.379 2.968 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781390 478993375 /nfs/dbraw/zinc/99/33/75/478993375.db2.gz RRYRKVJXWRBQNK-KGLIPLIRSA-N 1 0 335.404 2.731 10 5 EFBERO Cc1sc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000601771121 478993577 /nfs/dbraw/zinc/99/35/77/478993577.db2.gz GABIQBOCCMTLPV-UHFFFAOYSA-N 1 0 349.416 2.680 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000601791885 479007979 /nfs/dbraw/zinc/00/79/79/479007979.db2.gz PHIZRYICBIFXIC-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823782 479016139 /nfs/dbraw/zinc/01/61/39/479016139.db2.gz QYEOHHVYDLKTEF-HIFRSBDPSA-N 1 0 334.420 2.652 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)co2)cc1 ZINC000595826588 479018527 /nfs/dbraw/zinc/01/85/27/479018527.db2.gz AUNOEIHQSRNRLC-KBPBESRZSA-N 1 0 329.356 2.718 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)co2)cc1 ZINC000595826590 479018683 /nfs/dbraw/zinc/01/86/83/479018683.db2.gz AUNOEIHQSRNRLC-UONOGXRCSA-N 1 0 329.356 2.718 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595832069 479023225 /nfs/dbraw/zinc/02/32/25/479023225.db2.gz HJVQPYGEVWCUGG-CVEARBPZSA-N 1 0 334.416 2.847 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000595904446 479061721 /nfs/dbraw/zinc/06/17/21/479061721.db2.gz ZGDUGNQIPQLCOS-OAHLLOKOSA-N 1 0 327.384 2.884 10 5 EFBERO Cc1sc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595935943 479079312 /nfs/dbraw/zinc/07/93/12/479079312.db2.gz KPRLVJNPUGEYCS-CYBMUJFWSA-N 1 0 337.445 2.817 10 5 EFBERO Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595936080 479079499 /nfs/dbraw/zinc/07/94/99/479079499.db2.gz WZOCEACPMGPTKE-MRXNPFEDSA-N 1 0 331.416 2.755 10 5 EFBERO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000595949190 479080910 /nfs/dbraw/zinc/08/09/10/479080910.db2.gz YURHBXPSFGLQDT-ZDUSSCGKSA-N 1 0 348.447 2.640 10 5 EFBERO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962369 479084172 /nfs/dbraw/zinc/08/41/72/479084172.db2.gz QGGNOKRGYVQULY-ZDUSSCGKSA-N 1 0 335.379 2.586 10 5 EFBERO C[N@@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000592879801 479087287 /nfs/dbraw/zinc/08/72/87/479087287.db2.gz DDMHINSZXALTGW-KGLIPLIRSA-N 1 0 345.424 2.732 10 5 EFBERO CC(C)c1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601968852 479101041 /nfs/dbraw/zinc/10/10/41/479101041.db2.gz ICJIYLWARJYUAZ-HDICACEKSA-N 1 0 331.416 2.790 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000601973665 479103645 /nfs/dbraw/zinc/10/36/45/479103645.db2.gz IIBQDGGDVYJGDW-LBPRGKRZSA-N 1 0 331.372 2.849 10 5 EFBERO COC(=O)c1c(Cl)c(NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596061882 479115636 /nfs/dbraw/zinc/11/56/36/479115636.db2.gz LUASKPDQHDYJIZ-UHFFFAOYSA-N 1 0 341.795 2.933 10 5 EFBERO C/C=C/C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599005204 479123274 /nfs/dbraw/zinc/12/32/74/479123274.db2.gz MQTOLBNRUWIDBM-NSCUHMNNSA-N 1 0 332.141 2.865 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006365 479123590 /nfs/dbraw/zinc/12/35/90/479123590.db2.gz HJEHGRUMBGXXJE-RDJZCZTQSA-N 1 0 342.399 2.652 10 5 EFBERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593014360 479126030 /nfs/dbraw/zinc/12/60/30/479126030.db2.gz JBWXRNWLESBRBF-HZPDHXFCSA-N 1 0 336.388 2.507 10 5 EFBERO CCOC(=O)[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599016428 479127044 /nfs/dbraw/zinc/12/70/44/479127044.db2.gz OPFGXBRWVCOKOJ-CYBMUJFWSA-N 1 0 329.356 2.923 10 5 EFBERO CN1CC[NH+](CCCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599021147 479128929 /nfs/dbraw/zinc/12/89/29/479128929.db2.gz FWKSBHZIWJAFDH-UHFFFAOYSA-N 1 0 343.431 2.583 10 5 EFBERO CC[NH+]1CCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599022928 479130087 /nfs/dbraw/zinc/13/00/87/479130087.db2.gz VQWUCKXQEOBOOS-UHFFFAOYSA-N 1 0 343.431 2.583 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1 ZINC000593029555 479133559 /nfs/dbraw/zinc/13/35/59/479133559.db2.gz BYHZANAGRQMBBB-VCTAVGKDSA-N 1 0 336.388 2.531 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596099635 479138334 /nfs/dbraw/zinc/13/83/34/479138334.db2.gz UWWRXFLGFMBVDL-VIFPVBQESA-N 1 0 329.784 2.787 10 5 EFBERO COc1cc(NCCN2CCOC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596101095 479138421 /nfs/dbraw/zinc/13/84/21/479138421.db2.gz APDUFLIALMERDM-UHFFFAOYSA-N 1 0 343.811 2.780 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000596109517 479143153 /nfs/dbraw/zinc/14/31/53/479143153.db2.gz BXIHCNNAJMUQRL-SECBINFHSA-N 1 0 341.795 2.929 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593050235 479143867 /nfs/dbraw/zinc/14/38/67/479143867.db2.gz DJENKDYVCIRCKL-LRDDRELGSA-N 1 0 337.420 2.619 10 5 EFBERO COc1ccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000596111410 479145115 /nfs/dbraw/zinc/14/51/15/479145115.db2.gz XQWUTOXKMNUVTN-UHFFFAOYSA-N 1 0 343.383 2.705 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599067212 479145352 /nfs/dbraw/zinc/14/53/52/479145352.db2.gz YENYQJFAXCEUGZ-YUELXQCFSA-N 1 0 340.445 2.595 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599074530 479150407 /nfs/dbraw/zinc/15/04/07/479150407.db2.gz NEQCMHYMXPVPKU-QVDOCOBGSA-N 1 0 335.404 2.713 10 5 EFBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074538 479150724 /nfs/dbraw/zinc/15/07/24/479150724.db2.gz NGBBSAIPZAHJIQ-AEFFLSMTSA-N 1 0 337.379 2.999 10 5 EFBERO CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000599085079 479155194 /nfs/dbraw/zinc/15/51/94/479155194.db2.gz LIYGKTMSMZNPRS-WCQYABFASA-N 1 0 349.412 2.545 10 5 EFBERO Cn1ccnc1[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085634 479155797 /nfs/dbraw/zinc/15/57/97/479155797.db2.gz UUJAFDOFQZELDM-BHYGNILZSA-N 1 0 342.399 2.575 10 5 EFBERO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCOC1 ZINC000593069519 479155926 /nfs/dbraw/zinc/15/59/26/479155926.db2.gz TWBKLBRFRPUHMS-OAHLLOKOSA-N 1 0 335.404 2.733 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000593068754 479156953 /nfs/dbraw/zinc/15/69/53/479156953.db2.gz OFYZXYLLUKBAEZ-CQSZACIVSA-N 1 0 335.404 2.733 10 5 EFBERO C[N@@H+]1CCC[C@]2(CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)C1 ZINC000569689657 479157100 /nfs/dbraw/zinc/15/71/00/479157100.db2.gz RTOSVQGYLJVBBF-SFHVURJKSA-N 1 0 330.432 2.791 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000599094323 479158640 /nfs/dbraw/zinc/15/86/40/479158640.db2.gz UEHDKAPUBRHLLN-BBRMVZONSA-N 1 0 331.416 2.659 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599111267 479164688 /nfs/dbraw/zinc/16/46/88/479164688.db2.gz MUDMHXIICJZEET-OAHLLOKOSA-N 1 0 344.415 2.690 10 5 EFBERO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093902 479170845 /nfs/dbraw/zinc/17/08/45/479170845.db2.gz WIANLUBBWXBKSH-LBPRGKRZSA-N 1 0 334.372 2.605 10 5 EFBERO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093884 479171586 /nfs/dbraw/zinc/17/15/86/479171586.db2.gz WCRLMIIDZVSYSH-LBPRGKRZSA-N 1 0 344.371 2.788 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000599141098 479179111 /nfs/dbraw/zinc/17/91/11/479179111.db2.gz WSEGSYQHDYWGLM-HNNXBMFYSA-N 1 0 328.372 2.685 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596187133 479187472 /nfs/dbraw/zinc/18/74/72/479187472.db2.gz OCPQFOJVJMJGPX-UHFFFAOYSA-N 1 0 336.436 2.557 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000593128684 479195081 /nfs/dbraw/zinc/19/50/81/479195081.db2.gz LVTZAWHWCNMIPT-UHFFFAOYSA-N 1 0 338.408 2.703 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000584634749 479196072 /nfs/dbraw/zinc/19/60/72/479196072.db2.gz KHYZNVRIKISQHA-HEHGZKQESA-N 1 0 337.420 2.699 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000599182770 479198619 /nfs/dbraw/zinc/19/86/19/479198619.db2.gz ARPAOMSSZKIEKR-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000599183779 479199947 /nfs/dbraw/zinc/19/99/47/479199947.db2.gz URSJVKPIFRCSCO-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO COC(=O)c1c(Cl)c(N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000596218224 479205672 /nfs/dbraw/zinc/20/56/72/479205672.db2.gz HIIKUDZEFWCTMY-UHFFFAOYSA-N 1 0 343.811 2.811 10 5 EFBERO COC(=O)c1c(Cl)c(NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000596225714 479210021 /nfs/dbraw/zinc/21/00/21/479210021.db2.gz NREVWZLCFANHJY-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000610924038 479234239 /nfs/dbraw/zinc/23/42/39/479234239.db2.gz XQFYKLRERFGLLD-OLZOCXBDSA-N 1 0 349.435 2.529 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593203882 479238504 /nfs/dbraw/zinc/23/85/04/479238504.db2.gz JUIAYAAISCKMCD-UHFFFAOYSA-N 1 0 335.448 2.967 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596307891 479248054 /nfs/dbraw/zinc/24/80/54/479248054.db2.gz QGIPZGQANCEGMQ-GFCCVEGCSA-N 1 0 332.404 2.764 10 5 EFBERO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000596358243 479265800 /nfs/dbraw/zinc/26/58/00/479265800.db2.gz ZDSWZTWFSTXUNL-KRWDZBQOSA-N 1 0 348.447 2.653 10 5 EFBERO C[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370495 479273456 /nfs/dbraw/zinc/27/34/56/479273456.db2.gz IXZRMFFUJLBFKK-OLZOCXBDSA-N 1 0 329.404 2.639 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000603146426 479274588 /nfs/dbraw/zinc/27/45/88/479274588.db2.gz UFFNAUWKFPYZBI-TXEJJXNPSA-N 1 0 337.445 2.871 10 5 EFBERO O=[N+]([O-])c1sccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000611103846 479282357 /nfs/dbraw/zinc/28/23/57/479282357.db2.gz FDESPFSVPNLJLW-CYBMUJFWSA-N 1 0 325.434 2.738 10 5 EFBERO O=[N+]([O-])c1sccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000611103847 479282445 /nfs/dbraw/zinc/28/24/45/479282445.db2.gz FDESPFSVPNLJLW-ZDUSSCGKSA-N 1 0 325.434 2.738 10 5 EFBERO COc1cc(NCCN(C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596425702 479290776 /nfs/dbraw/zinc/29/07/76/479290776.db2.gz VOIKEIBTOUOPBN-UHFFFAOYSA-N 1 0 344.843 2.552 10 5 EFBERO COc1cc(C[NH2+][C@H]2CNc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000593317917 479290923 /nfs/dbraw/zinc/29/09/23/479290923.db2.gz ZDVHXKMCRAJXIZ-CQSZACIVSA-N 1 0 343.383 2.738 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CNc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000593317915 479291030 /nfs/dbraw/zinc/29/10/30/479291030.db2.gz ZDVHXKMCRAJXIZ-AWEZNQCLSA-N 1 0 343.383 2.738 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611150040 479294891 /nfs/dbraw/zinc/29/48/91/479294891.db2.gz WBTRUSKXDXQNJY-MRXNPFEDSA-N 1 0 330.384 2.775 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611150039 479294903 /nfs/dbraw/zinc/29/49/03/479294903.db2.gz WBTRUSKXDXQNJY-INIZCTEOSA-N 1 0 330.384 2.775 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000596451730 479300455 /nfs/dbraw/zinc/30/04/55/479300455.db2.gz FNFBMUBZGLNEOG-NSHDSACASA-N 1 0 326.784 2.806 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000596451729 479300990 /nfs/dbraw/zinc/30/09/90/479300990.db2.gz FNFBMUBZGLNEOG-LLVKDONJSA-N 1 0 326.784 2.806 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596516006 479324629 /nfs/dbraw/zinc/32/46/29/479324629.db2.gz BQFGZCIMRJMEHZ-SNVBAGLBSA-N 1 0 341.795 2.931 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]21 ZINC000585781966 479325633 /nfs/dbraw/zinc/32/56/33/479325633.db2.gz GYPISXYTXYITOH-CVEARBPZSA-N 1 0 349.431 2.681 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc([N+](=O)[O-])cc1 ZINC000599553401 479330932 /nfs/dbraw/zinc/33/09/32/479330932.db2.gz SNWMFSQRZAEFAC-CABCVRRESA-N 1 0 335.429 2.893 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)OCCO2 ZINC000611273868 479333045 /nfs/dbraw/zinc/33/30/45/479333045.db2.gz UUIJWQHEFDNWFI-GOSISDBHSA-N 1 0 348.399 2.759 10 5 EFBERO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274657 479333549 /nfs/dbraw/zinc/33/35/49/479333549.db2.gz VOZUFTXREUIQMJ-UHFFFAOYSA-N 1 0 349.412 2.887 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])CN1 ZINC000611287514 479338841 /nfs/dbraw/zinc/33/88/41/479338841.db2.gz DQHDFBZDCOHPRR-BNOHMRNQSA-N 1 0 329.400 2.599 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000596566800 479342201 /nfs/dbraw/zinc/34/22/01/479342201.db2.gz MUZDZMDEJRQJCQ-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000596569178 479342902 /nfs/dbraw/zinc/34/29/02/479342902.db2.gz VEDHCUZBXNOYIZ-LBPRGKRZSA-N 1 0 327.812 2.795 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000596569559 479343498 /nfs/dbraw/zinc/34/34/98/479343498.db2.gz XKOHFFXVBHICMU-MRXNPFEDSA-N 1 0 344.415 2.690 10 5 EFBERO CC(C)Cn1cc[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586758341 479345184 /nfs/dbraw/zinc/34/51/84/479345184.db2.gz ONLIWFRJWMWKSE-UHFFFAOYSA-N 1 0 332.360 2.831 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599597134 479346420 /nfs/dbraw/zinc/34/64/20/479346420.db2.gz USYWBMHLBKOJTI-GOSISDBHSA-N 1 0 349.431 2.763 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599597880 479347455 /nfs/dbraw/zinc/34/74/55/479347455.db2.gz ZCQMNXPYCLDKQS-SFHVURJKSA-N 1 0 349.431 2.763 10 5 EFBERO C[NH+](C)CCOC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463121 479351786 /nfs/dbraw/zinc/35/17/86/479351786.db2.gz MTLNCGLAPOLSNS-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624366 479357594 /nfs/dbraw/zinc/35/75/94/479357594.db2.gz CYJNIDFBHIFZTF-APOSDKBFSA-N 1 0 335.404 2.632 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395615 479366863 /nfs/dbraw/zinc/36/68/63/479366863.db2.gz KGGNRQVOWQUCGR-KRWDZBQOSA-N 1 0 327.384 2.888 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccccc3)CC2)cn1 ZINC000602497849 479369685 /nfs/dbraw/zinc/36/96/85/479369685.db2.gz DDRLMPXCPBEIKQ-UHFFFAOYSA-N 1 0 326.400 2.791 10 5 EFBERO C[N@H+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCCC1 ZINC000587121371 479369880 /nfs/dbraw/zinc/36/98/80/479369880.db2.gz ZUCXXUQKAJHCDX-UHFFFAOYSA-N 1 0 336.436 2.736 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]2CCC[C@@H]21 ZINC000599651438 479370006 /nfs/dbraw/zinc/37/00/06/479370006.db2.gz BKNXLGJUUAAHMC-OAGGEKHMSA-N 1 0 348.399 2.767 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599668474 479379473 /nfs/dbraw/zinc/37/94/73/479379473.db2.gz FVDSGHXVHUYENM-UHFFFAOYSA-N 1 0 333.432 2.672 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](CCCF)CC3)co2)cc1 ZINC000599669630 479380567 /nfs/dbraw/zinc/38/05/67/479380567.db2.gz MZJUUTTVNVHZIB-UHFFFAOYSA-N 1 0 348.378 2.727 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599699874 479398292 /nfs/dbraw/zinc/39/82/92/479398292.db2.gz NGONCRKCYJUFGR-UHFFFAOYSA-N 1 0 349.337 2.704 10 5 EFBERO COC(=O)C1C[C@H](C)[NH+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599713167 479403482 /nfs/dbraw/zinc/40/34/82/479403482.db2.gz ZVGBSVAGFXJUMD-STQMWFEESA-N 1 0 336.388 2.636 10 5 EFBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCCC1 ZINC000611525531 479406069 /nfs/dbraw/zinc/40/60/69/479406069.db2.gz JJAGLFQJDGERCJ-MRXNPFEDSA-N 1 0 336.436 2.592 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611579286 479422993 /nfs/dbraw/zinc/42/29/93/479422993.db2.gz UZTVBWVEIRIUDI-LLVKDONJSA-N 1 0 343.330 2.627 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000593693810 479425633 /nfs/dbraw/zinc/42/56/33/479425633.db2.gz FGKQEJCMFBJSQM-INIZCTEOSA-N 1 0 327.384 2.769 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593703686 479429421 /nfs/dbraw/zinc/42/94/21/479429421.db2.gz LRDWIPBHROSNMQ-ZDUSSCGKSA-N 1 0 342.399 2.875 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000611616833 479430388 /nfs/dbraw/zinc/43/03/88/479430388.db2.gz NWEIYJNNDBSMIU-CQSZACIVSA-N 1 0 334.420 2.519 10 5 EFBERO CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717013 479432876 /nfs/dbraw/zinc/43/28/76/479432876.db2.gz XARUPGCEULQOOT-JKSUJKDBSA-N 1 0 337.468 2.843 10 5 EFBERO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829354 479442072 /nfs/dbraw/zinc/44/20/72/479442072.db2.gz GAAFIRJSCYRDDF-UHFFFAOYSA-N 1 0 331.376 2.606 10 5 EFBERO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@@H+]1C ZINC000599832240 479443467 /nfs/dbraw/zinc/44/34/67/479443467.db2.gz TYGBZTVHQACPKJ-NWDGAFQWSA-N 1 0 343.387 2.747 10 5 EFBERO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599833386 479444669 /nfs/dbraw/zinc/44/46/69/479444669.db2.gz RAJPPYUYWOOKQU-LBPRGKRZSA-N 1 0 343.387 2.701 10 5 EFBERO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596831880 479445484 /nfs/dbraw/zinc/44/54/84/479445484.db2.gz MDMLUCXXQYLROE-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593756220 479448474 /nfs/dbraw/zinc/44/84/74/479448474.db2.gz MZJJKMIHAUFWEV-UHFFFAOYSA-N 1 0 332.404 2.784 10 5 EFBERO COc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000588933660 479460688 /nfs/dbraw/zinc/46/06/88/479460688.db2.gz SZVBFTMBCMNFAK-UHFFFAOYSA-N 1 0 326.356 2.812 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000611753433 479467412 /nfs/dbraw/zinc/46/74/12/479467412.db2.gz RUYQJPZDHZEWJX-UHFFFAOYSA-N 1 0 347.415 2.836 10 5 EFBERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899436 479478016 /nfs/dbraw/zinc/47/80/16/479478016.db2.gz HYFLKGCKTDFQMW-UHFFFAOYSA-N 1 0 334.420 2.918 10 5 EFBERO Nc1nccc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000589178370 479493014 /nfs/dbraw/zinc/49/30/14/479493014.db2.gz XJKKPNNUIXAKHQ-OMVNSRBRSA-N 1 0 339.399 2.690 10 5 EFBERO Cc1c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000602728770 479509248 /nfs/dbraw/zinc/50/92/48/479509248.db2.gz NSKZTDSCGQFERA-QZTJIDSGSA-N 1 0 328.368 2.527 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000589494287 479534168 /nfs/dbraw/zinc/53/41/68/479534168.db2.gz MQKPPIMIJBFIEO-UHFFFAOYSA-N 1 0 349.431 2.686 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)CCSC)c1 ZINC000589502415 479534427 /nfs/dbraw/zinc/53/44/27/479534427.db2.gz SKYSFCKYGFAEEZ-NSHDSACASA-N 1 0 326.418 2.955 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000593987887 479534644 /nfs/dbraw/zinc/53/46/44/479534644.db2.gz XNLGTRFBJHOKPT-HNNXBMFYSA-N 1 0 341.367 2.766 10 5 EFBERO CC[NH+]1CCC(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000604546842 479538422 /nfs/dbraw/zinc/53/84/22/479538422.db2.gz JVFBGIIXLLEHGI-UHFFFAOYSA-N 1 0 330.388 2.538 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000602783716 479549892 /nfs/dbraw/zinc/54/98/92/479549892.db2.gz FUODLBBVUIDZJH-UHFFFAOYSA-N 1 0 343.431 2.539 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042340 479562776 /nfs/dbraw/zinc/56/27/76/479562776.db2.gz IHFDJACYWKREPC-ZFWWWQNUSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042338 479562975 /nfs/dbraw/zinc/56/29/75/479562975.db2.gz IHFDJACYWKREPC-HIFRSBDPSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044153 479564569 /nfs/dbraw/zinc/56/45/69/479564569.db2.gz PPOIYXYIXVZVSO-GDBMZVCRSA-N 1 0 336.388 2.819 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094009 479570472 /nfs/dbraw/zinc/57/04/72/479570472.db2.gz BZWTUPXEXVZPAO-UHFFFAOYSA-N 1 0 343.815 2.636 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590044640 479595549 /nfs/dbraw/zinc/59/55/49/479595549.db2.gz KALJCNQOMFSRFG-CJNGLKHVSA-N 1 0 331.416 2.668 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000590052428 479597488 /nfs/dbraw/zinc/59/74/88/479597488.db2.gz BXPBQPVXVIYPNB-GUYCJALGSA-N 1 0 327.384 2.991 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612286222 479633038 /nfs/dbraw/zinc/63/30/38/479633038.db2.gz KKIHWHMIZVOTRZ-LLVKDONJSA-N 1 0 343.836 2.551 10 5 EFBERO CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597235832 479635486 /nfs/dbraw/zinc/63/54/86/479635486.db2.gz LFRXXUTVOBSUFT-QGZVFWFLSA-N 1 0 347.459 2.749 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000590375856 479635892 /nfs/dbraw/zinc/63/58/92/479635892.db2.gz OLNIYBKANOVRFO-UHFFFAOYSA-N 1 0 342.399 2.634 10 5 EFBERO CCc1nocc1CN(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590379611 479636773 /nfs/dbraw/zinc/63/67/73/479636773.db2.gz XACFWSHWXQVULQ-UHFFFAOYSA-N 1 0 333.344 2.564 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCO[C@@H](C(C)C)C2)c1 ZINC000590384874 479637396 /nfs/dbraw/zinc/63/73/96/479637396.db2.gz GSOYYRIRBKBVTM-MRXNPFEDSA-N 1 0 336.388 2.628 10 5 EFBERO CO[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000602961507 479653422 /nfs/dbraw/zinc/65/34/22/479653422.db2.gz AWNKDGIIUCLHGL-QZTJIDSGSA-N 1 0 348.374 2.919 10 5 EFBERO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cn1 ZINC000590539494 479657064 /nfs/dbraw/zinc/65/70/64/479657064.db2.gz NDKGDKCXRCTHHR-UHFFFAOYSA-N 1 0 335.323 2.803 10 5 EFBERO COC(=O)c1c(Cl)c(N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590587011 479664395 /nfs/dbraw/zinc/66/43/95/479664395.db2.gz SWTQDPGEJGSTPU-JTQLQIEISA-N 1 0 341.795 2.565 10 5 EFBERO C[C@H]([NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000590598555 479666551 /nfs/dbraw/zinc/66/65/51/479666551.db2.gz AEIJVSZOJPMVNF-GUYCJALGSA-N 1 0 344.415 2.883 10 5 EFBERO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610518960 480328132 /nfs/dbraw/zinc/32/81/32/480328132.db2.gz BDKGMTYPUJPCON-MRXNPFEDSA-N 1 0 336.413 2.810 10 5 EFBERO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610518983 480328281 /nfs/dbraw/zinc/32/82/81/480328281.db2.gz KVLXWRPNGPVSGZ-MRXNPFEDSA-N 1 0 336.413 2.810 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000610706431 480369809 /nfs/dbraw/zinc/36/98/09/480369809.db2.gz HSIOONMUOYPIJX-UHFFFAOYSA-N 1 0 327.275 2.567 10 5 EFBERO C[C@@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC12CCOCC2 ZINC000618305605 480613744 /nfs/dbraw/zinc/61/37/44/480613744.db2.gz MOZITFXKWXJOPZ-LBPRGKRZSA-N 1 0 330.388 2.862 10 5 EFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000179707911 533744996 /nfs/dbraw/zinc/74/49/96/533744996.db2.gz YWOJTTZNICAKFS-ZDUSSCGKSA-N 1 0 345.374 2.984 10 5 EFBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188010271 534264399 /nfs/dbraw/zinc/26/43/99/534264399.db2.gz YHXSGOYWLMRIHR-PXAZEXFGSA-N 1 0 346.387 2.628 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000185338671 517307553 /nfs/dbraw/zinc/30/75/53/517307553.db2.gz IFSHISMQEWVBAA-WYMLVPIESA-N 1 0 343.427 2.989 10 5 EFBERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000229031291 519337305 /nfs/dbraw/zinc/33/73/05/519337305.db2.gz JUAGZWWAACOSEY-UHFFFAOYSA-N 1 0 331.210 2.996 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117767778 519775024 /nfs/dbraw/zinc/77/50/24/519775024.db2.gz CAMNRFMOBJIKRO-ZDUSSCGKSA-N 1 0 341.839 2.883 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119102922 520895729 /nfs/dbraw/zinc/89/57/29/520895729.db2.gz DZURBCUNOFRJTL-CABCVRRESA-N 1 0 347.415 2.550 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000119610337 521644280 /nfs/dbraw/zinc/64/42/80/521644280.db2.gz IBVSAUZHNMZLNY-INIZCTEOSA-N 1 0 348.447 2.701 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000076484890 521718852 /nfs/dbraw/zinc/71/88/52/521718852.db2.gz XVBCXFBVPKDCOD-PWSUYJOCSA-N 1 0 325.434 2.767 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443629 521720027 /nfs/dbraw/zinc/72/00/27/521720027.db2.gz XIYVBEZFRQNJGL-YOEHRIQHSA-N 1 0 348.447 2.504 10 5 EFBERO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000245444691 522093660 /nfs/dbraw/zinc/09/36/60/522093660.db2.gz JUIPIMXFOQRQMM-CABCVRRESA-N 1 0 347.415 2.691 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000184769358 522626324 /nfs/dbraw/zinc/62/63/24/522626324.db2.gz YYSFSGCDMSCQEB-HNNXBMFYSA-N 1 0 333.432 2.716 10 5 EFBERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053548 522661080 /nfs/dbraw/zinc/66/10/80/522661080.db2.gz WZWAQOMLIBVELW-INIZCTEOSA-N 1 0 338.371 2.811 10 5 EFBERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347787328 534734677 /nfs/dbraw/zinc/73/46/77/534734677.db2.gz BBXIMSFNSQCFED-UHFFFAOYSA-N 1 0 335.404 2.860 10 5 EFBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000246178426 523972059 /nfs/dbraw/zinc/97/20/59/523972059.db2.gz BVYPDPJRWMZDRQ-GXTWGEPZSA-N 1 0 337.807 2.805 10 5 EFBERO CN(C)C(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180356289 523982850 /nfs/dbraw/zinc/98/28/50/523982850.db2.gz NFFGETAAMLGVGP-SFHVURJKSA-N 1 0 327.384 2.752 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180124969 523983553 /nfs/dbraw/zinc/98/35/53/523983553.db2.gz NFXFFHXFAODNOV-LPHOPBHVSA-N 1 0 339.395 2.699 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077323047 526077984 /nfs/dbraw/zinc/07/79/84/526077984.db2.gz TXGDDLXMSDURKJ-UHFFFAOYSA-N 1 0 335.404 2.731 10 5 EFBERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179128842 526383245 /nfs/dbraw/zinc/38/32/45/526383245.db2.gz BYBMMCRHEBOBOD-NSHDSACASA-N 1 0 333.413 2.929 10 5 EFBERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195518294 526923603 /nfs/dbraw/zinc/92/36/03/526923603.db2.gz CXMCMLBEFXEIJV-CQSZACIVSA-N 1 0 346.387 2.620 10 5 EFBERO [NH3+]CC[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834941 527191343 /nfs/dbraw/zinc/19/13/43/527191343.db2.gz JHGKXVDMLGPOIF-JTQLQIEISA-N 1 0 328.210 2.923 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)nc1 ZINC000118867171 527368089 /nfs/dbraw/zinc/36/80/89/527368089.db2.gz TXGQDGIEHRXVFL-AWEZNQCLSA-N 1 0 346.362 2.694 10 5 EFBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@]4(CCOC4)C3)o2)c1 ZINC000153967528 527381004 /nfs/dbraw/zinc/38/10/04/527381004.db2.gz QOXLOFPYTGAXGM-GOSISDBHSA-N 1 0 343.383 2.905 10 5 EFBERO Cn1nccc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000195504102 527599471 /nfs/dbraw/zinc/59/94/71/527599471.db2.gz QLNWNJXTIRGAID-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652363 528482009 /nfs/dbraw/zinc/48/20/09/528482009.db2.gz UDMHYYPGMPVMIH-GXTWGEPZSA-N 1 0 329.404 2.975 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000173713163 528963106 /nfs/dbraw/zinc/96/31/06/528963106.db2.gz MQIAXDKOJPZWAL-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO CC(C)[N@H+]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000129734811 529106734 /nfs/dbraw/zinc/10/67/34/529106734.db2.gz GIDBOTILOIMKEC-NHYWBVRUSA-N 1 0 332.404 2.620 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421851595 535413078 /nfs/dbraw/zinc/41/30/78/535413078.db2.gz GBSQARUCXQMRFE-MGPQQGTHSA-N 1 0 349.431 2.936 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1F ZINC000360084469 535991624 /nfs/dbraw/zinc/99/16/24/535991624.db2.gz KZKRCYIEWZNKTD-UHFFFAOYSA-N 1 0 349.337 2.865 10 5 EFBERO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000361006170 536481651 /nfs/dbraw/zinc/48/16/51/536481651.db2.gz AWTQNEWBFNFMCH-KRWDZBQOSA-N 1 0 326.400 2.734 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000351977727 536756755 /nfs/dbraw/zinc/75/67/55/536756755.db2.gz JZQWUMHPWVIXRV-ZDUSSCGKSA-N 1 0 332.360 2.674 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000754025064 575376922 /nfs/dbraw/zinc/37/69/22/575376922.db2.gz OJVWFEQSXABDOP-BFDHXNPWSA-N 1 0 345.399 2.818 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000755055328 575535437 /nfs/dbraw/zinc/53/54/37/575535437.db2.gz VQAZMHXEPFLCHR-OWBHPGMISA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000755095978 575540703 /nfs/dbraw/zinc/54/07/03/575540703.db2.gz CDOCXVARHYULLO-ZQHYZAEZSA-N 1 0 331.416 2.989 10 5 EFBERO CC[NH+]1CCC(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755144369 575550674 /nfs/dbraw/zinc/55/06/74/575550674.db2.gz XBGZFFQXEPGAFT-WYMLVPIESA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000755188027 575558343 /nfs/dbraw/zinc/55/83/43/575558343.db2.gz FCZSQHUOXSHDSI-HFQYIWAZSA-N 1 0 331.416 2.845 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000755349877 575577076 /nfs/dbraw/zinc/57/70/76/575577076.db2.gz XNFXIFOJQKBIGJ-OBEJXRGXSA-N 1 0 331.416 2.989 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@@H]1c1ccccc1 ZINC000758251268 575864887 /nfs/dbraw/zinc/86/48/87/575864887.db2.gz IPOOSSZYAIVCDG-GUYCJALGSA-N 1 0 339.355 2.988 10 5 EFBERO C/C(=C\C(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000762706009 576326185 /nfs/dbraw/zinc/32/61/85/576326185.db2.gz JKSPDFQCOMEXHO-FYWRMAATSA-N 1 0 329.400 2.766 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081872 577004818 /nfs/dbraw/zinc/00/48/18/577004818.db2.gz RDPKSMJUAXHQLV-XJKSGUPXSA-N 1 0 330.388 2.711 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC ZINC000768103466 577254567 /nfs/dbraw/zinc/25/45/67/577254567.db2.gz FPLAPGAPCGCTNW-QKVFXAPYSA-N 1 0 330.475 2.824 10 5 EFBERO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C2CC2)CC1 ZINC000768244445 577262751 /nfs/dbraw/zinc/26/27/51/577262751.db2.gz LPGFMDCRAXKTGO-UHFFFAOYSA-N 1 0 340.221 2.637 10 5 EFBERO CCOC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768532264 577280998 /nfs/dbraw/zinc/28/09/98/577280998.db2.gz CSEFTIRTTXBLJI-QGZVFWFLSA-N 1 0 347.415 2.591 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3ccsc3)CC2)cc1 ZINC000769984319 577396390 /nfs/dbraw/zinc/39/63/90/577396390.db2.gz GSUSTISVFZIJKJ-KRWDZBQOSA-N 1 0 347.440 2.948 10 5 EFBERO O=C(OCC[NH+]1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000770417030 577416896 /nfs/dbraw/zinc/41/68/96/577416896.db2.gz ZCTIVWDSRPWKGY-UHFFFAOYSA-N 1 0 344.314 2.839 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000774910508 581503956 /nfs/dbraw/zinc/50/39/56/581503956.db2.gz CFIMNSORQZUTMM-GXTWGEPZSA-N 1 0 335.360 2.752 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(C)(F)F)CC1 ZINC001691479181 1249218754 /nfs/dbraw/zinc/21/87/54/1249218754.db2.gz LXLMFYVVAKTMKZ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CC/C=C(\C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691489415 1249594636 /nfs/dbraw/zinc/59/46/36/1249594636.db2.gz VVIBZUIKXCHEAY-YHIBUNJOSA-N 1 0 331.416 2.936 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001691014989 1247924171 /nfs/dbraw/zinc/92/41/71/1247924171.db2.gz OTUOGEJBSQFQNY-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC[N@H+](CCNC(=O)C(C)(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001691035678 1248031491 /nfs/dbraw/zinc/03/14/91/1248031491.db2.gz JXYZHHKBPAPZRS-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001687333881 1248259983 /nfs/dbraw/zinc/25/99/83/1248259983.db2.gz NNENIKSJKDYKMW-KBPBESRZSA-N 1 0 334.420 2.527 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC001691109921 1248424461 /nfs/dbraw/zinc/42/44/61/1248424461.db2.gz IDEVQSRVXODCQZ-BJHJDKERSA-N 1 0 337.445 2.831 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1(F)CCCC1 ZINC001691215007 1248544434 /nfs/dbraw/zinc/54/44/34/1248544434.db2.gz BRXGZPZEDKUBMA-UHFFFAOYSA-N 1 0 349.406 2.958 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850348512 1250443463 /nfs/dbraw/zinc/44/34/63/1250443463.db2.gz NRINBGFDUTWDIV-WTCGPSRQSA-N 1 0 336.335 2.509 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348834 1250444414 /nfs/dbraw/zinc/44/44/14/1250444414.db2.gz VSUMKHPTTMCTSK-NRFANRHFSA-N 1 0 344.742 2.649 10 5 EFBERO COC1CC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850481846 1250500080 /nfs/dbraw/zinc/50/00/80/1250500080.db2.gz NJGYPWBAEMKKPU-UHFFFAOYSA-N 1 0 333.432 2.968 10 5 EFBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850539695 1250528462 /nfs/dbraw/zinc/52/84/62/1250528462.db2.gz FJGIODKBVHDYTD-MJEQTWJJSA-N 1 0 343.431 2.973 10 5 EFBERO CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+](C)C ZINC001746099908 1251506504 /nfs/dbraw/zinc/50/65/04/1251506504.db2.gz RURWHIHMHVFMFB-ZDUSSCGKSA-N 1 0 346.435 2.650 10 5 EFBERO CC[NH+](CC)CCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929220090 1256994452 /nfs/dbraw/zinc/99/44/52/1256994452.db2.gz YANMUSOJHADJKU-UHFFFAOYSA-N 1 0 325.384 2.515 10 5 EFBERO COc1ccc(C[NH2+][C@H](CO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000922544439 1266239485 /nfs/dbraw/zinc/23/94/85/1266239485.db2.gz PYZZZBOCQSGEJC-INIZCTEOSA-N 1 0 330.384 2.687 10 5 EFBERO Cn1cnc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000843420192 1260300294 /nfs/dbraw/zinc/30/02/94/1260300294.db2.gz QJYZGCDIJPYXIQ-UHFFFAOYSA-N 1 0 344.202 2.753 10 5 EFBERO Cn1nc2c(c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000921779680 1261400660 /nfs/dbraw/zinc/40/06/60/1261400660.db2.gz LKRSFWYTQSKIAS-UHFFFAOYSA-N 1 0 328.416 2.930 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923414681 1261628485 /nfs/dbraw/zinc/62/84/85/1261628485.db2.gz NCKXHPJTZUWAKF-IAGOWNOFSA-N 1 0 327.384 2.927 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000824655697 1278221727 /nfs/dbraw/zinc/22/17/27/1278221727.db2.gz ZASKKDIEARTERB-PEYYIBSZSA-N 1 0 340.807 2.610 10 5 EFBERO Cn1nc2c(c1C[NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000922133665 1264480123 /nfs/dbraw/zinc/48/01/23/1264480123.db2.gz LYVQCOUGATVOCR-UHFFFAOYSA-N 1 0 339.399 2.631 10 5 EFBERO COc1ccc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000922752144 1266720431 /nfs/dbraw/zinc/72/04/31/1266720431.db2.gz MVSBLGZGFDJRSL-ZDUSSCGKSA-N 1 0 335.326 2.576 10 5 EFBERO CCOc1ccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000922176133 1264753493 /nfs/dbraw/zinc/75/34/93/1264753493.db2.gz DJOGBXXLMYGUJF-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC001273248953 1264828017 /nfs/dbraw/zinc/82/80/17/1264828017.db2.gz JPYFQNQBZPLECI-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO C[NH+](C)C1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000823653371 1265395782 /nfs/dbraw/zinc/39/57/82/1265395782.db2.gz UPTMOMPGYLFYPO-UHFFFAOYSA-N 1 0 345.403 2.561 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000823621337 1265403012 /nfs/dbraw/zinc/40/30/12/1265403012.db2.gz OBXGZDBWIYRGGH-INIZCTEOSA-N 1 0 337.807 2.693 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922612060 1266459179 /nfs/dbraw/zinc/45/91/79/1266459179.db2.gz UIUZXAYPVBWYCX-KRWDZBQOSA-N 1 0 338.404 2.667 10 5 EFBERO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001128870814 1271312429 /nfs/dbraw/zinc/31/24/29/1271312429.db2.gz PMRKJDBNXSYAPG-UHFFFAOYSA-N 1 0 337.395 2.990 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844282973 1278861436 /nfs/dbraw/zinc/86/14/36/1278861436.db2.gz YDBZQFLAZCSPAP-INIZCTEOSA-N 1 0 333.388 2.788 10 5 EFBERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000785858155 1275217249 /nfs/dbraw/zinc/21/72/49/1275217249.db2.gz SPFACERZKZABCX-KRWDZBQOSA-N 1 0 344.415 2.779 10 5 EFBERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000785858158 1275217748 /nfs/dbraw/zinc/21/77/48/1275217748.db2.gz SPFACERZKZABCX-QGZVFWFLSA-N 1 0 344.415 2.779 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378600 1278955147 /nfs/dbraw/zinc/95/51/47/1278955147.db2.gz LKHSBQYLSSYSBP-MFKMUULPSA-N 1 0 343.811 2.573 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788469546 1276188260 /nfs/dbraw/zinc/18/82/60/1276188260.db2.gz GASDLDCVYOWRBK-LRDDRELGSA-N 1 0 330.388 2.825 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC000788815784 1276335406 /nfs/dbraw/zinc/33/54/06/1276335406.db2.gz GBJYYXDNDYSASI-SFHVURJKSA-N 1 0 333.432 2.658 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000788981825 1276427515 /nfs/dbraw/zinc/42/75/15/1276427515.db2.gz MROCXCDJZRNSQM-OSMZGAPFSA-N 1 0 332.322 2.819 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001136153816 1276543931 /nfs/dbraw/zinc/54/39/31/1276543931.db2.gz VTAMHNRNIIMZLI-GFCCVEGCSA-N 1 0 343.786 2.641 10 5 EFBERO Cc1cc(C)cc([C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000819045508 1276579583 /nfs/dbraw/zinc/57/95/83/1276579583.db2.gz DNZBDWXNBHYPDA-GOSISDBHSA-N 1 0 330.384 2.914 10 5 EFBERO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013612 1276588191 /nfs/dbraw/zinc/58/81/91/1276588191.db2.gz DUJIFSHONSMQON-SJORKVTESA-N 1 0 328.368 2.968 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000819178339 1276661358 /nfs/dbraw/zinc/66/13/58/1276661358.db2.gz VEZKHAVRDLQEJG-QGZVFWFLSA-N 1 0 330.388 2.730 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000819354246 1276740285 /nfs/dbraw/zinc/74/02/85/1276740285.db2.gz FYJLVMDZAFLSSD-UBHUBRDASA-N 1 0 330.331 2.768 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000819374004 1276761262 /nfs/dbraw/zinc/76/12/62/1276761262.db2.gz FJKUUUDEPUNMCF-QAPCUYQASA-N 1 0 345.374 2.636 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCCN1CC ZINC000746985245 1277975844 /nfs/dbraw/zinc/97/58/44/1277975844.db2.gz QDTAHPRGFMRGSC-HNNXBMFYSA-N 1 0 336.388 2.911 10 5 EFBERO Cc1cc(F)cc(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000844654267 1279139952 /nfs/dbraw/zinc/13/99/52/1279139952.db2.gz CZDXSOVXTZFPQD-UHFFFAOYSA-N 1 0 325.384 2.750 10 5 EFBERO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844908900 1279359528 /nfs/dbraw/zinc/35/95/28/1279359528.db2.gz JVCYZYJLBKBFLS-JSGCOSHPSA-N 1 0 343.387 2.836 10 5 EFBERO COc1cc(Cc2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000844912426 1279360366 /nfs/dbraw/zinc/36/03/66/1279360366.db2.gz GBSIDZBVMDIAPL-QWHCGFSZSA-N 1 0 344.371 2.780 10 5 EFBERO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182126 1280060364 /nfs/dbraw/zinc/06/03/64/1280060364.db2.gz VJIRIERIPXRUBA-YJYMSZOUSA-N 1 0 341.411 2.704 10 5 EFBERO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872040262 1287408247 /nfs/dbraw/zinc/40/82/47/1287408247.db2.gz YYQKGBKRYVGLOM-LBPRGKRZSA-N 1 0 345.374 2.987 10 5 EFBERO CC1(C)C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411972 1287420423 /nfs/dbraw/zinc/42/04/23/1287420423.db2.gz VUHQLJUDKIWLNQ-GFCCVEGCSA-N 1 0 343.221 2.950 10 5 EFBERO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088408 1287425199 /nfs/dbraw/zinc/42/51/99/1287425199.db2.gz NYAWAZARDQZODC-TZMCWYRMSA-N 1 0 337.395 2.638 10 5 EFBERO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089024 1287425514 /nfs/dbraw/zinc/42/55/14/1287425514.db2.gz SLVMPYDTAHWCIB-YVEFUNNKSA-N 1 0 340.395 2.952 10 5 EFBERO COCC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000872105558 1287430172 /nfs/dbraw/zinc/43/01/72/1287430172.db2.gz KWCNSXRBIFACCN-ZDUSSCGKSA-N 1 0 337.420 2.964 10 5 EFBERO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872093049 1287426675 /nfs/dbraw/zinc/42/66/75/1287426675.db2.gz UGTIMTVZJBJFEF-CHWSQXEVSA-N 1 0 338.379 2.970 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000872118366 1287434542 /nfs/dbraw/zinc/43/45/42/1287434542.db2.gz YLUCHERIMYKQTL-OLZOCXBDSA-N 1 0 336.388 2.987 10 5 EFBERO CCN1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000846957484 1280658817 /nfs/dbraw/zinc/65/88/17/1280658817.db2.gz LIUZGKAEUGTHTH-GOEBONIOSA-N 1 0 333.388 2.615 10 5 EFBERO CCN1C[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000846957501 1280658917 /nfs/dbraw/zinc/65/89/17/1280658917.db2.gz LIUZGKAEUGTHTH-ZBFHGGJFSA-N 1 0 333.388 2.615 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872149508 1287445623 /nfs/dbraw/zinc/44/56/23/1287445623.db2.gz NTZWEZODDKJHAO-GXSJLCMTSA-N 1 0 337.729 2.817 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCC2(CC2)CC1 ZINC000872222685 1287485049 /nfs/dbraw/zinc/48/50/49/1287485049.db2.gz AJUPKJUYYVZLJA-HNNXBMFYSA-N 1 0 334.416 2.895 10 5 EFBERO O=C(CC[NH2+]C[C@@H]1CCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872229936 1287488027 /nfs/dbraw/zinc/48/80/27/1287488027.db2.gz TWWXXMCYGIBPMJ-AWEZNQCLSA-N 1 0 347.415 2.720 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCCC2CC2)cc1 ZINC000872231229 1287488340 /nfs/dbraw/zinc/48/83/40/1287488340.db2.gz DQDOAFLIKYFCCI-UHFFFAOYSA-N 1 0 326.418 2.538 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)ccc1[N+](=O)[O-] ZINC000872259905 1287507122 /nfs/dbraw/zinc/50/71/22/1287507122.db2.gz DETIZOHEGMBPNR-XKQJLSEDSA-N 1 0 334.416 2.975 10 5 EFBERO O=C(C[N@@H+]1CC[C@@H](C2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001171332915 1281632616 /nfs/dbraw/zinc/63/26/16/1281632616.db2.gz UWAVKBVHQRCUQW-MRXNPFEDSA-N 1 0 343.427 2.996 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001170548976 1281663959 /nfs/dbraw/zinc/66/39/59/1281663959.db2.gz UAAVSPNUWFABAY-MRXNPFEDSA-N 1 0 339.395 2.560 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872314611 1287536347 /nfs/dbraw/zinc/53/63/47/1287536347.db2.gz LFHXTFGKVQUDNY-WBVHZDCISA-N 1 0 333.388 2.533 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC001175890538 1287578306 /nfs/dbraw/zinc/57/83/06/1287578306.db2.gz BENLQHOPRANWTH-AAEUAGOBSA-N 1 0 346.387 2.799 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC001175890539 1287578936 /nfs/dbraw/zinc/57/89/36/1287578936.db2.gz BENLQHOPRANWTH-DGCLKSJQSA-N 1 0 346.387 2.799 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000811859119 1284700618 /nfs/dbraw/zinc/70/06/18/1284700618.db2.gz NUCPTBXYNPOOSH-FNOHHLHBSA-N 1 0 335.404 2.922 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000812946165 1285520201 /nfs/dbraw/zinc/52/02/01/1285520201.db2.gz QLGQTYGENDJFMV-HNNXBMFYSA-N 1 0 327.331 2.885 10 5 EFBERO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000747833149 1285588228 /nfs/dbraw/zinc/58/82/28/1285588228.db2.gz VEOCGIKXNUINLZ-KBPBESRZSA-N 1 0 330.388 2.651 10 5 EFBERO Cc1noc(C2CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000813858601 1286146268 /nfs/dbraw/zinc/14/62/68/1286146268.db2.gz AUERWYMWGSYZSO-ZBCRRDGASA-N 1 0 346.387 2.636 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001134332170 1286579146 /nfs/dbraw/zinc/57/91/46/1286579146.db2.gz FFXZGRPODAXVAP-PXAZEXFGSA-N 1 0 349.456 2.731 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176887187 1288162089 /nfs/dbraw/zinc/16/20/89/1288162089.db2.gz PGFOPJIELKVBKW-GBESFXJTSA-N 1 0 347.459 2.823 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823993974 1289509477 /nfs/dbraw/zinc/50/94/77/1289509477.db2.gz MKLAAERPTUJVOE-VXGBXAGGSA-N 1 0 335.408 2.561 10 5 EFBERO Nc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823993721 1289510087 /nfs/dbraw/zinc/51/00/87/1289510087.db2.gz JZJOPRWCVQTTKS-CQSZACIVSA-N 1 0 347.419 2.659 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000824106744 1289531385 /nfs/dbraw/zinc/53/13/85/1289531385.db2.gz PIOJDCKTXVZKDI-CBFOLJDQSA-N 1 0 329.400 2.741 10 5 EFBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000824634878 1289733981 /nfs/dbraw/zinc/73/39/81/1289733981.db2.gz CJUGNNJGESJZSQ-GWCFXTLKSA-N 1 0 343.221 2.950 10 5 EFBERO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc2ccccn21 ZINC001185555722 1290707759 /nfs/dbraw/zinc/70/77/59/1290707759.db2.gz XGCHTPVHXNPICN-CQSZACIVSA-N 1 0 329.404 2.919 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])Cn1ccc(Br)n1 ZINC000795645803 1290800058 /nfs/dbraw/zinc/80/00/58/1290800058.db2.gz YVIRROXYKBMBSD-UHFFFAOYSA-N 1 0 339.193 2.686 10 5 EFBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[NH+]2CCC1CC2 ZINC001187880312 1291261510 /nfs/dbraw/zinc/26/15/10/1291261510.db2.gz CZBVDXMBBMQWKT-JTQLQIEISA-N 1 0 341.209 2.506 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660503 1291745609 /nfs/dbraw/zinc/74/56/09/1291745609.db2.gz UJBMEACREJIAEM-DOPJRALCSA-N 1 0 330.384 2.730 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000882502576 1293227964 /nfs/dbraw/zinc/22/79/64/1293227964.db2.gz LQHHXGAEMFLWNE-UHFFFAOYSA-N 1 0 342.399 2.777 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883297934 1293535408 /nfs/dbraw/zinc/53/54/08/1293535408.db2.gz DDNCRLDRHGXPRO-QSOAKEGCSA-N 1 0 338.429 2.555 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883402798 1293580289 /nfs/dbraw/zinc/58/02/89/1293580289.db2.gz AEZQFUJHMQMRIE-VXXVJXPCSA-N 1 0 329.400 2.599 10 5 EFBERO O=C(OCCC[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000800197206 1293953184 /nfs/dbraw/zinc/95/31/84/1293953184.db2.gz GHVJUFFNTNLRNH-UHFFFAOYSA-N 1 0 344.314 2.839 10 5 EFBERO CN(CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001196907297 1294411162 /nfs/dbraw/zinc/41/11/62/1294411162.db2.gz KMBFURFHARUDIC-LJQANCHMSA-N 1 0 343.427 2.918 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC001197086363 1294447000 /nfs/dbraw/zinc/44/70/00/1294447000.db2.gz FQUZMCBUGXRUQV-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000885935708 1294570946 /nfs/dbraw/zinc/57/09/46/1294570946.db2.gz PQTGPQOSTHKFBV-QZTJIDSGSA-N 1 0 331.416 2.674 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334234 1294867896 /nfs/dbraw/zinc/86/78/96/1294867896.db2.gz SMAVHQASOBOTFU-ZHWVDSRQSA-N 1 0 332.400 2.924 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)O2 ZINC000886341102 1294873838 /nfs/dbraw/zinc/87/38/38/1294873838.db2.gz PRISUAXYUPZDIQ-REJLFOLJSA-N 1 0 326.418 2.719 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC001198597816 1295139269 /nfs/dbraw/zinc/13/92/69/1295139269.db2.gz YZDUEWRKYQPMGJ-VQIMIIECSA-N 1 0 342.395 2.509 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCC1 ZINC001274153022 1295514983 /nfs/dbraw/zinc/51/49/83/1295514983.db2.gz IFJSWQWSOKCJMD-ARJAWSKDSA-N 1 0 335.379 2.639 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000926852011 1296967590 /nfs/dbraw/zinc/96/75/90/1296967590.db2.gz WNTXUBRVTRZGOT-SECBINFHSA-N 1 0 331.210 2.854 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927051787 1296982759 /nfs/dbraw/zinc/98/27/59/1296982759.db2.gz JFNDUCIZUOSFOP-WVATUKLVSA-N 1 0 336.388 2.937 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000931626076 1297358864 /nfs/dbraw/zinc/35/88/64/1297358864.db2.gz NOYDXSHQIVWBEN-QMTHXVAHSA-N 1 0 338.795 2.724 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000931627307 1297359215 /nfs/dbraw/zinc/35/92/15/1297359215.db2.gz ZMIYUBZZHAYHGL-MWLCHTKSSA-N 1 0 326.784 2.771 10 5 EFBERO O=C(CC1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001488819838 1297774089 /nfs/dbraw/zinc/77/40/89/1297774089.db2.gz GOXNDYCWUMHSFB-MQMHXKEQSA-N 1 0 337.445 2.831 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000903941671 1313455495 /nfs/dbraw/zinc/45/54/95/1313455495.db2.gz CGMUDNFVYVFMSH-UHFFFAOYSA-N 1 0 338.820 2.722 10 5 EFBERO CC[N@@H+]1CCN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1C ZINC001307073857 1324739484 /nfs/dbraw/zinc/73/94/84/1324739484.db2.gz XZYWQANDPXMJEM-SNVBAGLBSA-N 1 0 328.210 2.888 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3C[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000903964702 1313502398 /nfs/dbraw/zinc/50/23/98/1313502398.db2.gz TZADXRBJYBLNKG-IAQYHMDHSA-N 1 0 331.372 2.561 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903975303 1313522514 /nfs/dbraw/zinc/52/25/14/1313522514.db2.gz ZOASMQWRWKISJL-DOTOQJQBSA-N 1 0 347.459 2.664 10 5 EFBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccoc1 ZINC001490364280 1298857667 /nfs/dbraw/zinc/85/76/67/1298857667.db2.gz QJUDIQXTWMVDKA-UHFFFAOYSA-N 1 0 343.383 2.972 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852084094 1299540211 /nfs/dbraw/zinc/54/02/11/1299540211.db2.gz PYAVKUNSPAZCHX-QAPCUYQASA-N 1 0 327.384 2.903 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000852760649 1299872220 /nfs/dbraw/zinc/87/22/20/1299872220.db2.gz KNDCIFAZIBXVKT-OAHLLOKOSA-N 1 0 341.839 2.791 10 5 EFBERO CC(C)[C@H](O)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853114823 1300013693 /nfs/dbraw/zinc/01/36/93/1300013693.db2.gz QSIHJCYWQFHQSU-QYZOEREBSA-N 1 0 344.411 2.976 10 5 EFBERO Cc1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1Br ZINC000853651569 1300213687 /nfs/dbraw/zinc/21/36/87/1300213687.db2.gz GHSIOCGNIDHXNN-UHFFFAOYSA-N 1 0 328.210 2.664 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000853796587 1300281771 /nfs/dbraw/zinc/28/17/71/1300281771.db2.gz YXPRAJLTVCMVGQ-OAHLLOKOSA-N 1 0 345.374 2.913 10 5 EFBERO CCC(=O)c1ccc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853990731 1300378633 /nfs/dbraw/zinc/37/86/33/1300378633.db2.gz UFPUJMQBAIRJGM-HNNXBMFYSA-N 1 0 349.431 2.735 10 5 EFBERO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222983 1300476178 /nfs/dbraw/zinc/47/61/78/1300476178.db2.gz PZYIUNGRPMFAOF-MZMPZRCHSA-N 1 0 340.427 2.973 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000795283200 1300624169 /nfs/dbraw/zinc/62/41/69/1300624169.db2.gz ATQGTNHEFAWRFS-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC001273956759 1300738432 /nfs/dbraw/zinc/73/84/32/1300738432.db2.gz LLEYCAGTJNNHLP-ARJAWSKDSA-N 1 0 343.383 2.880 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286360 1300888823 /nfs/dbraw/zinc/88/88/23/1300888823.db2.gz PQCUGHOYIDNTJR-BMOGTNHUSA-N 1 0 331.416 2.987 10 5 EFBERO C/C(=C\C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000855286253 1300891126 /nfs/dbraw/zinc/89/11/26/1300891126.db2.gz NPENUJJIOGUECD-FQNOHDAGSA-N 1 0 331.416 2.987 10 5 EFBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccns1 ZINC000860058041 1301686726 /nfs/dbraw/zinc/68/67/26/1301686726.db2.gz FVVMZFHRKZLXRX-SECBINFHSA-N 1 0 338.364 2.870 10 5 EFBERO CC(C)(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[N+](=O)[O-] ZINC000860866393 1301948480 /nfs/dbraw/zinc/94/84/80/1301948480.db2.gz HSVMZHWMBSJZRZ-DLBZAZTESA-N 1 0 346.427 2.743 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000861344942 1302087547 /nfs/dbraw/zinc/08/75/47/1302087547.db2.gz WGQHZPSLNZMSRP-GUYCJALGSA-N 1 0 348.355 2.607 10 5 EFBERO CNc1ccc(C(=O)OCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC000861354717 1302101769 /nfs/dbraw/zinc/10/17/69/1302101769.db2.gz BTRAFHKGZYMZFI-UHFFFAOYSA-N 1 0 333.388 2.669 10 5 EFBERO CNc1c(C(=O)OCC23CCC[NH+](CCC2)C3)cccc1[N+](=O)[O-] ZINC000861360083 1302104477 /nfs/dbraw/zinc/10/44/77/1302104477.db2.gz HGAFPJYFZAPRLS-UHFFFAOYSA-N 1 0 333.388 2.669 10 5 EFBERO CCN(C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000861892096 1302233923 /nfs/dbraw/zinc/23/39/23/1302233923.db2.gz AXGKPTOYPHYHIG-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C/C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862793583 1302461470 /nfs/dbraw/zinc/46/14/70/1302461470.db2.gz QCLJDNHUPZYXCT-SZGZABIGSA-N 1 0 331.416 2.846 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865579706 1303318980 /nfs/dbraw/zinc/31/89/80/1303318980.db2.gz CQXUMWPWXIAULV-STQMWFEESA-N 1 0 337.395 2.656 10 5 EFBERO C[C@](CO)([NH2+][C@H]1CCc2cccnc2CC1)c1cccc([N+](=O)[O-])c1 ZINC000865704154 1303372586 /nfs/dbraw/zinc/37/25/86/1303372586.db2.gz RTHNDLUIKWMQRD-QFBILLFUSA-N 1 0 341.411 2.735 10 5 EFBERO Cc1nn(C)c(NCC2(c3ccccc3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000866016798 1303489869 /nfs/dbraw/zinc/48/98/69/1303489869.db2.gz VVZXOLBBGURLSK-UHFFFAOYSA-N 1 0 343.431 2.712 10 5 EFBERO COC(=O)c1cc(N2CC[N@H+](C)C(C)(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000866112662 1303529158 /nfs/dbraw/zinc/52/91/58/1303529158.db2.gz IAXMZXNXHLNAMS-UHFFFAOYSA-N 1 0 335.404 2.610 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866209566 1303563958 /nfs/dbraw/zinc/56/39/58/1303563958.db2.gz UBWAWXHKRVUOJH-MLGOLLRUSA-N 1 0 342.399 2.682 10 5 EFBERO Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])s1 ZINC000866258548 1303582772 /nfs/dbraw/zinc/58/27/72/1303582772.db2.gz VAVIGGNQHOSDRB-UHFFFAOYSA-N 1 0 325.434 2.513 10 5 EFBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOc1ncccc1F ZINC000866307439 1303597933 /nfs/dbraw/zinc/59/79/33/1303597933.db2.gz AFQKPBARIXGWGG-NSHDSACASA-N 1 0 337.326 2.868 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000866499670 1303664165 /nfs/dbraw/zinc/66/41/65/1303664165.db2.gz OSNSKQAKRNNPJU-GXTWGEPZSA-N 1 0 325.796 2.595 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000866540283 1303679638 /nfs/dbraw/zinc/67/96/38/1303679638.db2.gz XRRTVBTVXYGBHM-LUKYLMHMSA-N 1 0 348.447 2.927 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866724283 1303767100 /nfs/dbraw/zinc/76/71/00/1303767100.db2.gz MRAPOYFECHVAKP-STQMWFEESA-N 1 0 340.221 2.684 10 5 EFBERO Cc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000867995864 1304066774 /nfs/dbraw/zinc/06/67/74/1304066774.db2.gz KENAXDJFFNWEHJ-KWOWKCNFSA-N 1 0 331.416 2.673 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000868385030 1304271118 /nfs/dbraw/zinc/27/11/18/1304271118.db2.gz ZYKVFPSCCNCRSA-CYBMUJFWSA-N 1 0 336.436 2.679 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000868565901 1304358004 /nfs/dbraw/zinc/35/80/04/1304358004.db2.gz JVYJOCITJSXVNB-UHFFFAOYSA-N 1 0 346.431 2.719 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053196 1304591748 /nfs/dbraw/zinc/59/17/48/1304591748.db2.gz JKONOJPUTLQTPA-HNNXBMFYSA-N 1 0 334.420 2.529 10 5 EFBERO CCCC[NH+]1CCC(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000869053178 1304591863 /nfs/dbraw/zinc/59/18/63/1304591863.db2.gz JFRWMJVPKJFXDP-UHFFFAOYSA-N 1 0 348.447 2.967 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000869053902 1304592802 /nfs/dbraw/zinc/59/28/02/1304592802.db2.gz XNRJKDPRSPAQOE-INIZCTEOSA-N 1 0 348.447 2.823 10 5 EFBERO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)(c2ccccc2)CC1 ZINC000870193276 1305200501 /nfs/dbraw/zinc/20/05/01/1305200501.db2.gz OVYKSOASWAIHKN-UHFFFAOYSA-N 1 0 343.383 2.581 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000870569459 1305403559 /nfs/dbraw/zinc/40/35/59/1305403559.db2.gz ULTHRBFZXSNBIC-INIZCTEOSA-N 1 0 333.388 2.748 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000870569460 1305403862 /nfs/dbraw/zinc/40/38/62/1305403862.db2.gz ULTHRBFZXSNBIC-MRXNPFEDSA-N 1 0 333.388 2.748 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870959987 1305711249 /nfs/dbraw/zinc/71/12/49/1305711249.db2.gz FDMALTNFNNLSDO-UHFFFAOYSA-N 1 0 334.420 2.539 10 5 EFBERO Cc1c(CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000870991168 1305731503 /nfs/dbraw/zinc/73/15/03/1305731503.db2.gz IRVLXNRSZUVXHN-SFHVURJKSA-N 1 0 333.432 2.669 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1(C)C ZINC000871152719 1305842412 /nfs/dbraw/zinc/84/24/12/1305842412.db2.gz PCWWFRNYCMAYPU-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1(C)C ZINC000871153516 1305844053 /nfs/dbraw/zinc/84/40/53/1305844053.db2.gz OYBNTJMQAAOJMH-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1(C)C ZINC000871155432 1305846605 /nfs/dbraw/zinc/84/66/05/1305846605.db2.gz XLHSEVYSAALMKH-UHFFFAOYSA-N 1 0 344.415 2.561 10 5 EFBERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801544982 1310496782 /nfs/dbraw/zinc/49/67/82/1310496782.db2.gz XIMOEPNAJJUZEM-YPMHNXCESA-N 1 0 339.367 2.690 10 5 EFBERO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(CCF)CC1 ZINC001491039555 1311154791 /nfs/dbraw/zinc/15/47/91/1311154791.db2.gz JAVMWWIXXFHNPX-TXEJJXNPSA-N 1 0 341.408 2.533 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001491045332 1311155309 /nfs/dbraw/zinc/15/53/09/1311155309.db2.gz FSVVWIBJGCRSQJ-OKILXGFUSA-N 1 0 337.445 2.973 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001161413978 1311882449 /nfs/dbraw/zinc/88/24/49/1311882449.db2.gz UOIOSZPHGGGKBT-UHFFFAOYSA-N 1 0 346.362 2.938 10 5 EFBERO CC[C@H](CO)[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001162651764 1312143294 /nfs/dbraw/zinc/14/32/94/1312143294.db2.gz ALORUCHWOUBQPG-GFCCVEGCSA-N 1 0 347.337 2.507 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001164124940 1312452822 /nfs/dbraw/zinc/45/28/22/1312452822.db2.gz ROYGLUDNUGPGIP-GDBMZVCRSA-N 1 0 344.440 2.557 10 5 EFBERO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000903215751 1312470865 /nfs/dbraw/zinc/47/08/65/1312470865.db2.gz OHVHILCGDVGMCX-BFYDXBDKSA-N 1 0 345.443 2.764 10 5 EFBERO CC[N@@H+]1CCC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001164242979 1312476647 /nfs/dbraw/zinc/47/66/47/1312476647.db2.gz AINNMOFMGQUMCF-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO CO[C@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000903316060 1312564185 /nfs/dbraw/zinc/56/41/85/1312564185.db2.gz MIQBANGQNOUCOV-ABAIWWIYSA-N 1 0 328.409 2.777 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CCC2 ZINC000903348208 1312587617 /nfs/dbraw/zinc/58/76/17/1312587617.db2.gz WZDVTOLRZFCHRT-KRWDZBQOSA-N 1 0 346.427 2.884 10 5 EFBERO CC(C)O[C@@]1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000903357767 1312595060 /nfs/dbraw/zinc/59/50/60/1312595060.db2.gz PAISINOGJXJDFM-BLLLJJGKSA-N 1 0 326.368 2.969 10 5 EFBERO CC(C)O[C@@]1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000903357769 1312595499 /nfs/dbraw/zinc/59/54/99/1312595499.db2.gz PAISINOGJXJDFM-MLGOLLRUSA-N 1 0 326.368 2.969 10 5 EFBERO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903379650 1312614267 /nfs/dbraw/zinc/61/42/67/1312614267.db2.gz HUQITYUNTVTXIZ-CXAGYDPISA-N 1 0 343.431 2.916 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC001263637773 1316552932 /nfs/dbraw/zinc/55/29/32/1316552932.db2.gz BFIJMRCNRWFIGY-XHVZSJERSA-N 1 0 338.795 2.710 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001264416022 1316614305 /nfs/dbraw/zinc/61/43/05/1316614305.db2.gz LNYIYFVYUFFZTA-NUHMAXIESA-N 1 0 343.427 2.936 10 5 EFBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(CCF)CC1 ZINC001265487821 1316812741 /nfs/dbraw/zinc/81/27/41/1316812741.db2.gz JAVMWWIXXFHNPX-HAQNSBGRSA-N 1 0 341.408 2.533 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001265529391 1316821506 /nfs/dbraw/zinc/82/15/06/1316821506.db2.gz APYFESBUQCFZNI-PLVLJFABSA-N 1 0 329.400 2.688 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265712908 1316865514 /nfs/dbraw/zinc/86/55/14/1316865514.db2.gz VGQDIPTXVAMBGM-JYWZNFQHSA-N 1 0 343.427 2.744 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265720808 1316866681 /nfs/dbraw/zinc/86/66/81/1316866681.db2.gz RZPGLDCQBYYXBI-WSLIYQLUSA-N 1 0 341.411 2.664 10 5 EFBERO CC1(C(=O)NCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001266138635 1317088284 /nfs/dbraw/zinc/08/82/84/1317088284.db2.gz NSOUFDGFIDQREU-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO O=C(C(F)F)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001318860687 1328725850 /nfs/dbraw/zinc/72/58/50/1328725850.db2.gz WMXGJEJZJXMKFK-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001280849764 1317841332 /nfs/dbraw/zinc/84/13/32/1317841332.db2.gz ISFCAIBPJMIXOB-FVQHAEBGSA-N 1 0 345.443 2.921 10 5 EFBERO CCOCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001318948249 1328747965 /nfs/dbraw/zinc/74/79/65/1328747965.db2.gz PVMGDDGRIYJUHN-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001316612847 1318526703 /nfs/dbraw/zinc/52/67/03/1318526703.db2.gz LNYIYFVYUFFZTA-QIADXUOOSA-N 1 0 343.427 2.936 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001289204294 1321803415 /nfs/dbraw/zinc/80/34/15/1321803415.db2.gz JIYRJLLSADNBAT-OAHLLOKOSA-N 1 0 349.431 2.552 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001290242066 1321890168 /nfs/dbraw/zinc/89/01/68/1321890168.db2.gz UOPNFKLDOSLVEY-AWEZNQCLSA-N 1 0 349.431 2.988 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001293745744 1322341165 /nfs/dbraw/zinc/34/11/65/1322341165.db2.gz PKQCPKOYTPRLBZ-AWEZNQCLSA-N 1 0 347.415 2.551 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC001295665287 1322745927 /nfs/dbraw/zinc/74/59/27/1322745927.db2.gz XBUNNZZGPOUZPJ-UHFFFAOYSA-N 1 0 335.379 2.743 10 5 EFBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296232825 1322871195 /nfs/dbraw/zinc/87/11/95/1322871195.db2.gz WTRUDDPEZGVQDO-OLZOCXBDSA-N 1 0 346.431 2.560 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C1CC1)C1CC1 ZINC001320067655 1329069190 /nfs/dbraw/zinc/06/91/90/1329069190.db2.gz AMUXPANEOCSXNJ-UHFFFAOYSA-N 1 0 345.443 2.921 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001298813164 1323613850 /nfs/dbraw/zinc/61/38/50/1323613850.db2.gz FPOUMCVFJQBVPZ-MRXNPFEDSA-N 1 0 349.337 2.906 10 5 EFBERO CCOc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320208712 1329104360 /nfs/dbraw/zinc/10/43/60/1329104360.db2.gz ZKQKZWHYZGXFQH-CYBMUJFWSA-N 1 0 344.371 2.853 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1(C)C ZINC001299821888 1323708371 /nfs/dbraw/zinc/70/83/71/1323708371.db2.gz MPBCCBFNUWFJNB-CHWSQXEVSA-N 1 0 325.796 2.707 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1(C)C ZINC001299821889 1323709004 /nfs/dbraw/zinc/70/90/04/1323709004.db2.gz MPBCCBFNUWFJNB-OLZOCXBDSA-N 1 0 325.796 2.707 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C12CCC2 ZINC001301549583 1324548040 /nfs/dbraw/zinc/54/80/40/1324548040.db2.gz VFLVUBWKCKULEK-KBPBESRZSA-N 1 0 337.807 2.851 10 5 EFBERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC001301598443 1324551056 /nfs/dbraw/zinc/55/10/56/1324551056.db2.gz ULRHCZKQJKPQLV-UHFFFAOYSA-N 1 0 338.323 2.678 10 5 EFBERO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)c(N)c1[N+](=O)[O-] ZINC001304499480 1324651869 /nfs/dbraw/zinc/65/18/69/1324651869.db2.gz AZRALUMUGOBLMQ-UHFFFAOYSA-N 1 0 325.328 2.694 10 5 EFBERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840680 1324724480 /nfs/dbraw/zinc/72/44/80/1324724480.db2.gz TZZSTUQBXAYTHV-NHYWBVRUSA-N 1 0 346.387 2.750 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H](O)C[NH+]1CCCCC1 ZINC001307145271 1324745183 /nfs/dbraw/zinc/74/51/83/1324745183.db2.gz KPGXVCRARRGKKG-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC001307192919 1324748678 /nfs/dbraw/zinc/74/86/78/1324748678.db2.gz MOMHHCALHIXLIY-MRXNPFEDSA-N 1 0 343.431 2.819 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001307223009 1324752793 /nfs/dbraw/zinc/75/27/93/1324752793.db2.gz SVRJCLYZGFYQEA-YGRLFVJLSA-N 1 0 340.221 2.745 10 5 EFBERO CCOCCOC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001307416565 1324767995 /nfs/dbraw/zinc/76/79/95/1324767995.db2.gz XYONDQBEIPEDRY-UHFFFAOYSA-N 1 0 338.404 2.621 10 5 EFBERO C[C@H](O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001307454384 1324769957 /nfs/dbraw/zinc/76/99/57/1324769957.db2.gz SKZOVLSHEPTBGA-QWRGUYRKSA-N 1 0 347.337 2.505 10 5 EFBERO CS[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC001307662761 1324776203 /nfs/dbraw/zinc/77/62/03/1324776203.db2.gz WPLUZYGNANQKKA-IRXDYDNUSA-N 1 0 335.473 2.915 10 5 EFBERO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307689126 1324777030 /nfs/dbraw/zinc/77/70/30/1324777030.db2.gz VKNVJPNXXSKSRJ-XUJVJEKNSA-N 1 0 346.387 2.626 10 5 EFBERO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307689060 1324777088 /nfs/dbraw/zinc/77/70/88/1324777088.db2.gz VKNVJPNXXSKSRJ-LALPHHSUSA-N 1 0 346.387 2.626 10 5 EFBERO C[C@@H](CO)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC001307685030 1324777443 /nfs/dbraw/zinc/77/74/43/1324777443.db2.gz QGJPUENFPJWNLS-LBPRGKRZSA-N 1 0 346.387 2.770 10 5 EFBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001307709921 1324777806 /nfs/dbraw/zinc/77/78/06/1324777806.db2.gz IJLPZAYPIWADGV-PXAZEXFGSA-N 1 0 346.387 2.628 10 5 EFBERO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307781118 1324779325 /nfs/dbraw/zinc/77/93/25/1324779325.db2.gz VVDCMCQYDHTUGQ-HLLBOEOZSA-N 1 0 332.400 2.973 10 5 EFBERO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC001308028670 1324789585 /nfs/dbraw/zinc/78/95/85/1324789585.db2.gz GAPPUBYZESYEBC-UKRRQHHQSA-N 1 0 346.387 2.940 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001308047995 1324789692 /nfs/dbraw/zinc/78/96/92/1324789692.db2.gz RDYVKJRLMWSKJB-CQSZACIVSA-N 1 0 344.415 2.681 10 5 EFBERO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC001308028668 1324790449 /nfs/dbraw/zinc/79/04/49/1324790449.db2.gz GAPPUBYZESYEBC-DZGCQCFKSA-N 1 0 346.387 2.940 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC23CCCCCC3)c1 ZINC001308160377 1324796941 /nfs/dbraw/zinc/79/69/41/1324796941.db2.gz JETRSGWTRWBERM-MRXNPFEDSA-N 1 0 336.436 2.731 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308150995 1324796992 /nfs/dbraw/zinc/79/69/92/1324796992.db2.gz XJRWAICNWSGXRF-MRXNPFEDSA-N 1 0 347.459 2.969 10 5 EFBERO O=C(CC[NH2+][C@@H]1CCOCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001308165748 1324797395 /nfs/dbraw/zinc/79/73/95/1324797395.db2.gz CSOMZLKLKBLPTJ-MRXNPFEDSA-N 1 0 347.415 2.862 10 5 EFBERO CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001313354289 1325013748 /nfs/dbraw/zinc/01/37/48/1325013748.db2.gz YNEIZORMYGGCEO-CABCVRRESA-N 1 0 348.447 2.824 10 5 EFBERO CCc1[nH]ccc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001321045486 1329336056 /nfs/dbraw/zinc/33/60/56/1329336056.db2.gz VLZMIRNUMXOTEH-ONEGZZNKSA-N 1 0 342.399 2.561 10 5 EFBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001321179086 1329353597 /nfs/dbraw/zinc/35/35/97/1329353597.db2.gz ZLJVUIRPBABOGQ-VOTSOKGWSA-N 1 0 331.416 2.937 10 5 EFBERO CC[N@H+](CCNC(=O)c1occc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317473047 1328060736 /nfs/dbraw/zinc/06/07/36/1328060736.db2.gz IKZVNNYBKNYZMM-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1occc1Cl ZINC001317625280 1328207155 /nfs/dbraw/zinc/20/71/55/1328207155.db2.gz CJKPBVHGSMVUKS-UHFFFAOYSA-N 1 0 343.792 2.765 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(Cl)c1 ZINC001317641080 1328225935 /nfs/dbraw/zinc/22/59/35/1328225935.db2.gz XCKYSKXNYOWQMK-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO Cc1cnccc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322494462 1329462751 /nfs/dbraw/zinc/46/27/51/1329462751.db2.gz XRXMMMGRPBBMBT-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326801141 1330365995 /nfs/dbraw/zinc/36/59/95/1330365995.db2.gz TZBGHWVKZZQFOE-UHFFFAOYSA-N 1 0 340.383 2.540 10 5 EFBERO C/C=C(\C)C(=O)N(C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001327203833 1330441801 /nfs/dbraw/zinc/44/18/01/1330441801.db2.gz YGZULUZCKWOPHE-LFYBBSHMSA-N 1 0 325.434 2.903 10 5 EFBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327866389 1330524364 /nfs/dbraw/zinc/52/43/64/1330524364.db2.gz WOMNSEMKLBSUOY-SFHVURJKSA-N 1 0 337.379 2.714 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001329582853 1330720990 /nfs/dbraw/zinc/72/09/90/1330720990.db2.gz LOJIBFFBZXAKPN-UHFFFAOYSA-N 1 0 346.431 2.883 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001330008323 1330761184 /nfs/dbraw/zinc/76/11/84/1330761184.db2.gz JOQABHQBIJIMNY-UHFFFAOYSA-N 1 0 345.443 2.862 10 5 EFBERO Cc1c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC001330018845 1330761717 /nfs/dbraw/zinc/76/17/17/1330761717.db2.gz QZRGXBZGHRYRAO-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001333027836 1331068922 /nfs/dbraw/zinc/06/89/22/1331068922.db2.gz AXQMZQDMHGFGRD-RNCFNFMXSA-N 1 0 329.194 2.872 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001333095025 1331077314 /nfs/dbraw/zinc/07/73/14/1331077314.db2.gz ZEGFHNUNIXDMBT-CABCVRRESA-N 1 0 335.404 2.975 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1O ZINC001333308271 1331111754 /nfs/dbraw/zinc/11/17/54/1331111754.db2.gz VGBNYURSHZDCLK-MXWKQRLJSA-N 1 0 328.315 2.832 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)n1 ZINC001334886386 1331324759 /nfs/dbraw/zinc/32/47/59/1331324759.db2.gz BHFSMEAVAIVOKG-LMKPVCQUSA-N 1 0 326.347 2.720 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(OC)nc1 ZINC001334906787 1331328744 /nfs/dbraw/zinc/32/87/44/1331328744.db2.gz MLQXSKOEQJLVPD-UHFFFAOYSA-N 1 0 331.372 2.729 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001335690468 1331391529 /nfs/dbraw/zinc/39/15/29/1331391529.db2.gz JCKKBCQTHRYECY-HUUCEWRRSA-N 1 0 334.420 2.575 10 5 EFBERO CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC001345746431 1332570463 /nfs/dbraw/zinc/57/04/63/1332570463.db2.gz ROUSXJPVGMEAHL-GFCCVEGCSA-N 1 0 336.392 2.551 10 5 EFBERO CC1(C)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347314231 1332734061 /nfs/dbraw/zinc/73/40/61/1332734061.db2.gz DERDVXPIFVUIIA-UHFFFAOYSA-N 1 0 334.420 2.657 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001347388378 1332739973 /nfs/dbraw/zinc/73/99/73/1332739973.db2.gz ORTBMOQLBAZYCK-CYBMUJFWSA-N 1 0 347.415 2.692 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001347661737 1332764366 /nfs/dbraw/zinc/76/43/66/1332764366.db2.gz QWOWZTIIKSJAOW-CYBMUJFWSA-N 1 0 346.431 2.855 10 5 EFBERO CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001347793595 1332774082 /nfs/dbraw/zinc/77/40/82/1332774082.db2.gz KVIQWBZBBHMWEW-ZDUSSCGKSA-N 1 0 332.404 2.814 10 5 EFBERO Cc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC001348348357 1332827521 /nfs/dbraw/zinc/82/75/21/1332827521.db2.gz CEXIBERDIANDSW-ZDUSSCGKSA-N 1 0 346.431 2.574 10 5 EFBERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001348852265 1332876474 /nfs/dbraw/zinc/87/64/74/1332876474.db2.gz GEUNNCIGIONILZ-QGZVFWFLSA-N 1 0 329.356 2.557 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001349765012 1332995110 /nfs/dbraw/zinc/99/51/10/1332995110.db2.gz DEYSNRFMPVNNMI-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001350112014 1333036280 /nfs/dbraw/zinc/03/62/80/1333036280.db2.gz VUMQQGOXWPFESP-DLBZAZTESA-N 1 0 343.427 2.691 10 5 EFBERO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1[C@H](C)CC[C@H]1C ZINC001350800921 1333135240 /nfs/dbraw/zinc/13/52/40/1333135240.db2.gz DINXOBOKGAYNKH-MXWKQRLJSA-N 1 0 341.358 2.751 10 5 EFBERO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)CCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001352188957 1333419528 /nfs/dbraw/zinc/41/95/28/1333419528.db2.gz HSAPJTCNYNWJAI-OIISXLGYSA-N 1 0 345.443 2.716 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC001354483899 1334326145 /nfs/dbraw/zinc/32/61/45/1334326145.db2.gz GEHCGRLBSAHTLH-KBPBESRZSA-N 1 0 349.431 2.580 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001472867601 1334575373 /nfs/dbraw/zinc/57/53/73/1334575373.db2.gz IYJKFOJPHDBNGF-INIZCTEOSA-N 1 0 341.367 2.654 10 5 EFBERO CC[C@@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475115 1334734557 /nfs/dbraw/zinc/73/45/57/1334734557.db2.gz LYKNPIFZFDAOLU-PBHICJAKSA-N 1 0 331.416 2.990 10 5 EFBERO CC(C)[N@H+](CC1CC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474874 1334734732 /nfs/dbraw/zinc/73/47/32/1334734732.db2.gz KHUPEDZGAZPQIR-QGZVFWFLSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000848476336 1334735406 /nfs/dbraw/zinc/73/54/06/1334735406.db2.gz ABGRVJOSFRDANZ-IAGOWNOFSA-N 1 0 329.400 2.743 10 5 EFBERO CC[N@H+](CCC1CC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485086 1334741627 /nfs/dbraw/zinc/74/16/27/1334741627.db2.gz VAGVVAOGFBKKHW-QGZVFWFLSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@@H]1CSCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485845 1334742469 /nfs/dbraw/zinc/74/24/69/1334742469.db2.gz YTLWWNNWBFKUKL-XJKSGUPXSA-N 1 0 349.456 2.553 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523339 1334771870 /nfs/dbraw/zinc/77/18/70/1334771870.db2.gz AINXDLDKGPHDDT-WBVHZDCISA-N 1 0 328.368 2.914 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569309 1334798617 /nfs/dbraw/zinc/79/86/17/1334798617.db2.gz DGBNRUXPLGQHAP-CJNGLKHVSA-N 1 0 345.399 2.890 10 5 EFBERO O=C1O[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570535 1334799439 /nfs/dbraw/zinc/79/94/39/1334799439.db2.gz MAHNWYFUHTWVBU-HOCLYGCPSA-N 1 0 331.372 2.545 10 5 EFBERO O=C1O[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571653 1334801087 /nfs/dbraw/zinc/80/10/87/1334801087.db2.gz GGDZROASMQVFTP-DOTOQJQBSA-N 1 0 345.399 2.935 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578727 1334805368 /nfs/dbraw/zinc/80/53/68/1334805368.db2.gz ZSDLRTHVYPXIJG-NYUWMOHMSA-N 1 0 331.372 2.571 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001355868663 1334892285 /nfs/dbraw/zinc/89/22/85/1334892285.db2.gz RLDHQBLHXOLDLG-DOMZBBRYSA-N 1 0 335.379 2.599 10 5 EFBERO CCCN(CC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001360478166 1335941897 /nfs/dbraw/zinc/94/18/97/1335941897.db2.gz LNRBKNBSRWGWON-UHFFFAOYSA-N 1 0 341.839 2.981 10 5 EFBERO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(CCF)CC1 ZINC001506893485 1406410670 /nfs/dbraw/zinc/41/06/70/1406410670.db2.gz NRYDULVSRRMLAA-SHTZXODSSA-N 1 0 349.406 2.719 10 5 EFBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001441480515 1391330171 /nfs/dbraw/zinc/33/01/71/1391330171.db2.gz LGEGCIKSSAGIMB-OKILXGFUSA-N 1 0 348.447 2.665 10 5 EFBERO C[NH+](C)C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001445046321 1391518335 /nfs/dbraw/zinc/51/83/35/1391518335.db2.gz MCULZDYFRILXAO-UHFFFAOYSA-N 1 0 333.432 2.908 10 5 EFBERO C[N@@H+]1CCCC12CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC001446872946 1391626632 /nfs/dbraw/zinc/62/66/32/1391626632.db2.gz YIRXYORHMOLMDR-UHFFFAOYSA-N 1 0 342.399 2.777 10 5 EFBERO Cc1cccc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001449888937 1392425193 /nfs/dbraw/zinc/42/51/93/1392425193.db2.gz DJGCHBRFBJOTAK-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456758591 1394794177 /nfs/dbraw/zinc/79/41/77/1394794177.db2.gz LTDGSFRUKTUNML-WBVHZDCISA-N 1 0 345.443 2.622 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001457408256 1395100695 /nfs/dbraw/zinc/10/06/95/1395100695.db2.gz CKFUZPZLIBYBKR-GXTWGEPZSA-N 1 0 337.445 2.628 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001457409990 1395101260 /nfs/dbraw/zinc/10/12/60/1395101260.db2.gz GHKFNZRQYOFZAC-CYBMUJFWSA-N 1 0 337.445 2.873 10 5 EFBERO C[NH+]1CCC(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001458139517 1395413195 /nfs/dbraw/zinc/41/31/95/1395413195.db2.gz HKDLFDKABZOUDF-UHFFFAOYSA-N 1 0 332.379 2.848 10 5 EFBERO CC[N@H+](CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)C ZINC001458164260 1395417302 /nfs/dbraw/zinc/41/73/02/1395417302.db2.gz VYCUSNYTMOBHKA-UHFFFAOYSA-N 1 0 347.375 2.615 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001458432309 1395466827 /nfs/dbraw/zinc/46/68/27/1395466827.db2.gz QDGNWTGZAFNXPY-ZDUSSCGKSA-N 1 0 335.404 2.834 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC001458470278 1395475724 /nfs/dbraw/zinc/47/57/24/1395475724.db2.gz UGDMANLGKGJTPB-LBPRGKRZSA-N 1 0 337.811 2.739 10 5 EFBERO CCO[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC001458593287 1395514970 /nfs/dbraw/zinc/51/49/70/1395514970.db2.gz LQPRNRFOSSLDGF-LLVKDONJSA-N 1 0 346.225 2.736 10 5 EFBERO CCOC(=O)c1ccnc(N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001458682369 1395547923 /nfs/dbraw/zinc/54/79/23/1395547923.db2.gz SSQNREASHLQIOQ-LBPRGKRZSA-N 1 0 338.408 2.555 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001458835413 1395614399 /nfs/dbraw/zinc/61/43/99/1395614399.db2.gz HLFOYFDAGACMNS-KGLIPLIRSA-N 1 0 346.431 2.681 10 5 EFBERO C[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460128202 1396006307 /nfs/dbraw/zinc/00/63/07/1396006307.db2.gz INHKBKQUGZZIIP-FUHWJXTLSA-N 1 0 347.459 2.743 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3cnccn3)C2)cc1 ZINC001460863391 1396265530 /nfs/dbraw/zinc/26/55/30/1396265530.db2.gz UBKQOIVMJFIVKV-AWEZNQCLSA-N 1 0 328.372 2.643 10 5 EFBERO C[C@@](CO)(Cc1ccccc1F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460863273 1396265688 /nfs/dbraw/zinc/26/56/88/1396265688.db2.gz WASCVCOZKGBTQZ-SFHVURJKSA-N 1 0 348.374 2.696 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001460949033 1396273196 /nfs/dbraw/zinc/27/31/96/1396273196.db2.gz SVXSCJIZQXVCRQ-MRXNPFEDSA-N 1 0 347.415 2.923 10 5 EFBERO C[NH+](C)Cc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001464893943 1396628416 /nfs/dbraw/zinc/62/84/16/1396628416.db2.gz UGLZGOUKMSOLRC-UHFFFAOYSA-N 1 0 331.347 2.726 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001465664456 1396701390 /nfs/dbraw/zinc/70/13/90/1396701390.db2.gz PNHKAGLLNMBEOX-CQSZACIVSA-N 1 0 349.406 2.846 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001466354994 1396749859 /nfs/dbraw/zinc/74/98/59/1396749859.db2.gz QRLICTLNEHAMHB-UHFFFAOYSA-N 1 0 349.431 2.588 10 5 EFBERO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001469619395 1397043906 /nfs/dbraw/zinc/04/39/06/1397043906.db2.gz UJTBYMHCUFCEQY-MRXNPFEDSA-N 1 0 333.432 2.634 10 5 EFBERO CCC[N@H+](CC)CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001472714429 1397267261 /nfs/dbraw/zinc/26/72/61/1397267261.db2.gz RLEJRMWZPWPUST-UHFFFAOYSA-N 1 0 332.404 2.717 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC3(C)CC[NH+](C)CC3)c2c1 ZINC001472738818 1397269104 /nfs/dbraw/zinc/26/91/04/1397269104.db2.gz GBYXUCXTPGECSJ-UHFFFAOYSA-N 1 0 344.415 2.717 10 5 EFBERO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001473712588 1397324010 /nfs/dbraw/zinc/32/40/10/1397324010.db2.gz HAJWTMDOCGZOPZ-BONVTDFDSA-N 1 0 326.780 2.879 10 5 EFBERO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473744633 1397327516 /nfs/dbraw/zinc/32/75/16/1397327516.db2.gz BMZIVOWSWDJOGW-ZDUSSCGKSA-N 1 0 349.778 2.508 10 5 EFBERO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC001473742220 1397327718 /nfs/dbraw/zinc/32/77/18/1397327718.db2.gz UMWPVPLYHXWLBY-UHFFFAOYSA-N 1 0 342.399 2.711 10 5 EFBERO Cc1ccncc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001479763028 1397825121 /nfs/dbraw/zinc/82/51/21/1397825121.db2.gz GVDOJUZJSCVTRL-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cc1ccc(CC(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001479765766 1397827582 /nfs/dbraw/zinc/82/75/82/1397827582.db2.gz BNKHKDLSJJMFFM-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480218624 1398168186 /nfs/dbraw/zinc/16/81/86/1398168186.db2.gz RNUSNNXZBKTPAI-DNRKEPFLSA-N 1 0 329.400 2.854 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480218636 1398168338 /nfs/dbraw/zinc/16/83/38/1398168338.db2.gz RNUSNNXZBKTPAI-HRPZYHGOSA-N 1 0 329.400 2.854 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC001493279634 1398583555 /nfs/dbraw/zinc/58/35/55/1398583555.db2.gz VZKQJHPJFNZZQS-UHFFFAOYSA-N 1 0 344.415 2.575 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001493516913 1398738305 /nfs/dbraw/zinc/73/83/05/1398738305.db2.gz WWIWJTMEHSLBRW-UHFFFAOYSA-N 1 0 335.379 2.940 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC001546239726 1399274115 /nfs/dbraw/zinc/27/41/15/1399274115.db2.gz ZHSOAZQYNFTFLH-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001495439621 1399980472 /nfs/dbraw/zinc/98/04/72/1399980472.db2.gz VTNQRLNDJCTVQX-JOCQHMNTSA-N 1 0 325.434 2.973 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1cc[nH]c1 ZINC001495915331 1400352449 /nfs/dbraw/zinc/35/24/49/1400352449.db2.gz QONLWADWFNMKRL-UHFFFAOYSA-N 1 0 348.428 2.817 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001497341387 1401314676 /nfs/dbraw/zinc/31/46/76/1401314676.db2.gz MNDYDQLVHOLHGR-UHFFFAOYSA-N 1 0 327.384 2.847 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C)n1 ZINC001497351031 1401321697 /nfs/dbraw/zinc/32/16/97/1401321697.db2.gz BGHMBNQKGYOZSR-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C)s1 ZINC001497362373 1401327771 /nfs/dbraw/zinc/32/77/71/1401327771.db2.gz YEBHYOGGXWJJLS-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO C/C(=C\C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534394 1401440652 /nfs/dbraw/zinc/44/06/52/1401440652.db2.gz ATKVFXXVRCOQMC-OCBWWBPCSA-N 1 0 329.400 2.713 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001497554144 1401454147 /nfs/dbraw/zinc/45/41/47/1401454147.db2.gz CQOFIUGJCUVFIP-WAYWQWQTSA-N 1 0 343.383 2.880 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497569046 1401463422 /nfs/dbraw/zinc/46/34/22/1401463422.db2.gz OOBVQSVMQFWFAC-ARJAWSKDSA-N 1 0 343.383 2.880 10 5 EFBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001498513337 1402154433 /nfs/dbraw/zinc/15/44/33/1402154433.db2.gz IQXBPWGHFVSVOZ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(CCc1ccoc1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001499194497 1402515966 /nfs/dbraw/zinc/51/59/66/1402515966.db2.gz DNNZPOVAIBJIAW-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC001501155968 1403463581 /nfs/dbraw/zinc/46/35/81/1403463581.db2.gz HIRZGRDEQWYAAT-UBSAEIQESA-N 1 0 337.445 2.926 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1(C2CC2)CC1 ZINC001501967245 1403912983 /nfs/dbraw/zinc/91/29/83/1403912983.db2.gz ZVRHDMSNEJQBME-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502494683 1404197980 /nfs/dbraw/zinc/19/79/80/1404197980.db2.gz JLHWKPCURNEHDY-HUUCEWRRSA-N 1 0 339.480 2.839 10 5 EFBERO Cc1ccccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001506504114 1405867527 /nfs/dbraw/zinc/86/75/27/1405867527.db2.gz APFQNGKLKAXXCG-IAGOWNOFSA-N 1 0 345.443 2.569 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001557008230 1415101311 /nfs/dbraw/zinc/10/13/11/1415101311.db2.gz SBDRIFZMPIICDN-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001557675333 1415137130 /nfs/dbraw/zinc/13/71/30/1415137130.db2.gz BFVLLMBTSQHVRL-GOEBONIOSA-N 1 0 348.447 2.586 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001558769097 1415200399 /nfs/dbraw/zinc/20/03/99/1415200399.db2.gz OZSQGPAIACHERK-PBHICJAKSA-N 1 0 346.431 2.512 10 5 EFBERO CC[NH+](CC)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC001558810246 1415203432 /nfs/dbraw/zinc/20/34/32/1415203432.db2.gz FQEMODAMSLIPNA-CQSZACIVSA-N 1 0 345.403 2.521 10 5 EFBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC001559056209 1415221815 /nfs/dbraw/zinc/22/18/15/1415221815.db2.gz WEXMHNYKSDDRQQ-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO CC[NH+](CC)CCOCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559161382 1415227570 /nfs/dbraw/zinc/22/75/70/1415227570.db2.gz XZBNYRKVZOQKTH-UHFFFAOYSA-N 1 0 336.436 2.639 10 5 EFBERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559556771 1415250461 /nfs/dbraw/zinc/25/04/61/1415250461.db2.gz JBNNJIVUMIELMO-CABCVRRESA-N 1 0 346.387 2.770 10 5 EFBERO CCOC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC001560037260 1415260690 /nfs/dbraw/zinc/26/06/90/1415260690.db2.gz AMNBNZSECPGWMS-AWEZNQCLSA-N 1 0 342.342 2.658 10 5 EFBERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001565565601 1415403317 /nfs/dbraw/zinc/40/33/17/1415403317.db2.gz OEQSZNNQORJFHF-UHFFFAOYSA-N 1 0 334.420 2.514 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001565610567 1415406938 /nfs/dbraw/zinc/40/69/38/1415406938.db2.gz AQBFOFOEGCTRLL-UHFFFAOYSA-N 1 0 337.395 2.846 10 5 EFBERO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001565839947 1415429748 /nfs/dbraw/zinc/42/97/48/1415429748.db2.gz UFDKFRDEGNYRMN-LBPRGKRZSA-N 1 0 337.807 2.806 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001565842535 1415430220 /nfs/dbraw/zinc/43/02/20/1415430220.db2.gz ZPRLDBOKWFIXFB-GERKINCISA-N 1 0 331.416 2.936 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001566167055 1415533018 /nfs/dbraw/zinc/53/30/18/1415533018.db2.gz UBPOVRKLGUPGTM-AAEUAGOBSA-N 1 0 342.399 2.543 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001566169348 1415533208 /nfs/dbraw/zinc/53/32/08/1415533208.db2.gz MTOVOORIJIMSGV-UHFFFAOYSA-N 1 0 331.416 2.805 10 5 EFBERO C[N@H+](CCCNC(=O)CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001566441815 1415547924 /nfs/dbraw/zinc/54/79/24/1415547924.db2.gz HYTSLHVZHFUSBJ-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C)CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001566488947 1415581344 /nfs/dbraw/zinc/58/13/44/1415581344.db2.gz JZEWMAWNXJYQHU-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO Cc1cscc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567275891 1416051207 /nfs/dbraw/zinc/05/12/07/1416051207.db2.gz ULBCYYNLWXQSPL-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567325053 1416073168 /nfs/dbraw/zinc/07/31/68/1416073168.db2.gz LQDXAVBMWUBIJW-UHFFFAOYSA-N 1 0 327.384 2.847 10 5 EFBERO CC[N@H+](CCNC(=O)c1cccnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567342772 1416081357 /nfs/dbraw/zinc/08/13/57/1416081357.db2.gz VHLGNVJUSSHCLD-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC001567421749 1416130967 /nfs/dbraw/zinc/13/09/67/1416130967.db2.gz BYEAXQFJNUSVDF-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ocnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567423179 1416131365 /nfs/dbraw/zinc/13/13/65/1416131365.db2.gz JDOPNNIKOVMPHE-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO Cc1sccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567492419 1416158698 /nfs/dbraw/zinc/15/86/98/1416158698.db2.gz YEEGHEOMQNSWKS-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1Cl ZINC001567565736 1416189621 /nfs/dbraw/zinc/18/96/21/1416189621.db2.gz YXHDEAUAGUPNPI-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746602 1416269589 /nfs/dbraw/zinc/26/95/89/1416269589.db2.gz IXXHEOAOSUHULH-HZPDHXFCSA-N 1 0 339.480 2.648 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001690353181 1417194001 /nfs/dbraw/zinc/19/40/01/1417194001.db2.gz CJJJKFITMPACJZ-IYBDPMFKSA-N 1 0 331.416 2.912 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001690353412 1417194547 /nfs/dbraw/zinc/19/45/47/1417194547.db2.gz JUIPHDULQDBORD-GASCZTMLSA-N 1 0 331.416 2.912 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC001698797453 1417335619 /nfs/dbraw/zinc/33/56/19/1417335619.db2.gz AKXGVFQINIYUDZ-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1C ZINC001699169084 1417408953 /nfs/dbraw/zinc/40/89/53/1417408953.db2.gz HBTOEYRIOBABFF-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1C ZINC001699201664 1417413134 /nfs/dbraw/zinc/41/31/34/1417413134.db2.gz AVDJSLNILVDHEC-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713154626 1418342510 /nfs/dbraw/zinc/34/25/10/1418342510.db2.gz SHWQQJWRZFDRDG-SHTZXODSSA-N 1 0 343.383 2.557 10 5 EFBERO O=C(CCC1CCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713156560 1418343271 /nfs/dbraw/zinc/34/32/71/1418343271.db2.gz FZMXPNVWJVCXLF-WKILWMFISA-N 1 0 331.416 2.912 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1C1CC1 ZINC001714754919 1418626126 /nfs/dbraw/zinc/62/61/26/1418626126.db2.gz PVQMRLYWTDJRSR-UHFFFAOYSA-N 1 0 343.383 2.927 10 5 EFBERO CC(C)c1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001714763708 1418631136 /nfs/dbraw/zinc/63/11/36/1418631136.db2.gz NKMXOYJFRCDJMP-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(C)o1 ZINC001715729262 1418681177 /nfs/dbraw/zinc/68/11/77/1418681177.db2.gz RRBAOIWSPNBTSD-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001715858062 1418689892 /nfs/dbraw/zinc/68/98/92/1418689892.db2.gz AIRVHCWRSPCKML-ONEGZZNKSA-N 1 0 331.416 2.793 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccc(C)nc1 ZINC001716204251 1418724256 /nfs/dbraw/zinc/72/42/56/1418724256.db2.gz AWMINLLMAGCFMK-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocc1C ZINC001716233661 1418731907 /nfs/dbraw/zinc/73/19/07/1418731907.db2.gz OUWXEIZNTWKRCX-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO Cc1ccccc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716261873 1418746225 /nfs/dbraw/zinc/74/62/25/1418746225.db2.gz BDXXDCIQDXOJME-SNAWJCMRSA-N 1 0 339.395 2.979 10 5 EFBERO CC(C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001716292214 1418755196 /nfs/dbraw/zinc/75/51/96/1418755196.db2.gz GAWLBULWDLRZGD-IHWYPQMZSA-N 1 0 329.400 2.857 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001716310391 1418765168 /nfs/dbraw/zinc/76/51/68/1418765168.db2.gz FETNUACLGCXOSR-ONEGZZNKSA-N 1 0 342.399 2.616 10 5 EFBERO CCC1(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001716333440 1418781377 /nfs/dbraw/zinc/78/13/77/1418781377.db2.gz YUIBWURBSFOYDJ-AATRIKPKSA-N 1 0 331.416 2.937 10 5 EFBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001716366937 1418805715 /nfs/dbraw/zinc/80/57/15/1418805715.db2.gz IJCFIZOZGLNWIF-SNAWJCMRSA-N 1 0 339.395 2.979 10 5 EFBERO Cc1[nH]ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717205714 1419266289 /nfs/dbraw/zinc/26/62/89/1419266289.db2.gz SFKAOJWUNKBFBV-UHFFFAOYSA-N 1 0 344.415 2.825 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001723009960 1424400023 /nfs/dbraw/zinc/40/00/23/1424400023.db2.gz WUUZVQZFHYWNER-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC2(CCC2)C1 ZINC001723547545 1424521627 /nfs/dbraw/zinc/52/16/27/1424521627.db2.gz YSZGQGHRVHPNIB-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001723587326 1424525949 /nfs/dbraw/zinc/52/59/49/1424525949.db2.gz ASUJNBSQGSMOAX-UHFFFAOYSA-N 1 0 339.395 2.955 10 5 EFBERO Cc1cocc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001724793231 1425017665 /nfs/dbraw/zinc/01/76/65/1425017665.db2.gz BYZWSHMZRHSNMP-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncs1 ZINC001724847990 1425065673 /nfs/dbraw/zinc/06/56/73/1425065673.db2.gz MPCZHMLGNUBLLR-UHFFFAOYSA-N 1 0 348.428 2.645 10 5 EFBERO CCCCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001724911128 1425127113 /nfs/dbraw/zinc/12/71/13/1425127113.db2.gz MDBLFTGCHMGPFX-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001731251081 1426352574 /nfs/dbraw/zinc/35/25/74/1426352574.db2.gz VDFGIAUNQOPHPS-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391914 714754488 /nfs/dbraw/zinc/75/44/88/714754488.db2.gz SXQOIWMMBQIQMI-SCLBCKFNSA-N 1 0 345.399 2.533 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000162137636 716697175 /nfs/dbraw/zinc/69/71/75/716697175.db2.gz HDBAFBWVTRCTEP-JTQLQIEISA-N 1 0 329.194 2.874 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895273923 723967520 /nfs/dbraw/zinc/96/75/20/723967520.db2.gz LRODZRDTARSRQP-CQSZACIVSA-N 1 0 340.383 2.649 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893016626 719460070 /nfs/dbraw/zinc/46/00/70/719460070.db2.gz ZLQOTMRJZAOUIN-KGLIPLIRSA-N 1 0 349.431 2.938 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000893025312 719481388 /nfs/dbraw/zinc/48/13/88/719481388.db2.gz HJFKJVGPTPTDRI-NWDGAFQWSA-N 1 0 325.434 2.991 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893027159 719490828 /nfs/dbraw/zinc/49/08/28/719490828.db2.gz WADLIUPRDVBPLK-HOCLYGCPSA-N 1 0 333.432 2.859 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000178569540 719748679 /nfs/dbraw/zinc/74/86/79/719748679.db2.gz SKSTVODSRQGUCA-ABAIWWIYSA-N 1 0 330.340 2.708 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]12 ZINC000261621453 719771177 /nfs/dbraw/zinc/77/11/77/719771177.db2.gz AAYMVEFZZNXYMO-NTZNESFSSA-N 1 0 340.221 2.526 10 5 EFBERO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(F)F ZINC000894316496 722079026 /nfs/dbraw/zinc/07/90/26/722079026.db2.gz MFUZRQJLXBHVMW-GAFUQQFSSA-N 1 0 328.315 2.608 10 5 EFBERO CCc1[nH]c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C(=O)OC ZINC000894543233 722777128 /nfs/dbraw/zinc/77/71/28/722777128.db2.gz OPGVPVBHMUVYPE-UHFFFAOYSA-N 1 0 331.372 2.870 10 5 EFBERO [NH3+]CCN(Cc1cccc2c1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000894766112 722842120 /nfs/dbraw/zinc/84/21/20/722842120.db2.gz PRDTZAHOAISJRC-UHFFFAOYSA-N 1 0 327.384 2.633 10 5 EFBERO C[C@H]1[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434951 722862657 /nfs/dbraw/zinc/86/26/57/722862657.db2.gz FQVVRWWUUVCLCC-ONGXEEELSA-N 1 0 343.836 2.549 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC4(CCC4)CO3)CC2)cn1 ZINC000895788869 724315069 /nfs/dbraw/zinc/31/50/69/724315069.db2.gz JOMBAXAZBNJNTE-INIZCTEOSA-N 1 0 346.431 2.507 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895780847 724318146 /nfs/dbraw/zinc/31/81/46/724318146.db2.gz WRTSMFNSEWMEHI-PHIMTYICSA-N 1 0 330.356 2.991 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)CO1 ZINC000895819373 724331419 /nfs/dbraw/zinc/33/14/19/724331419.db2.gz XDDPSZVHJAXNGS-BTJLNZGRSA-N 1 0 347.371 2.552 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895838403 724336430 /nfs/dbraw/zinc/33/64/30/724336430.db2.gz YJQYCPIVDIAVAA-AWEZNQCLSA-N 1 0 332.322 2.958 10 5 EFBERO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000895850467 724350873 /nfs/dbraw/zinc/35/08/73/724350873.db2.gz LDWUCKDUVXIYLT-LBPRGKRZSA-N 1 0 345.355 2.785 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913632123 725784933 /nfs/dbraw/zinc/78/49/33/725784933.db2.gz QHMXQZABKSQVRX-UHFFFAOYSA-N 1 0 335.429 2.675 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]12 ZINC000261621448 725809317 /nfs/dbraw/zinc/80/93/17/725809317.db2.gz AAYMVEFZZNXYMO-GMXVVIOVSA-N 1 0 340.221 2.526 10 5 EFBERO O=[N+]([O-])c1ccc2c(cnn2CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000151819191 725840856 /nfs/dbraw/zinc/84/08/56/725840856.db2.gz CHNBRHCUBCYFPX-UHFFFAOYSA-N 1 0 343.431 2.710 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000913760141 725850948 /nfs/dbraw/zinc/85/09/48/725850948.db2.gz HGXJLPBISZDJMM-JOYOIKCWSA-N 1 0 341.770 2.554 10 5 EFBERO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000915145660 726881388 /nfs/dbraw/zinc/88/13/88/726881388.db2.gz DSLKZFCAPFNDIS-UHFFFAOYSA-N 1 0 334.420 2.794 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000908279767 727149866 /nfs/dbraw/zinc/14/98/66/727149866.db2.gz KRPQGELTMKFELK-UHFFFAOYSA-N 1 0 344.371 2.854 10 5 EFBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908412501 727181150 /nfs/dbraw/zinc/18/11/50/727181150.db2.gz DOXSKCIXWZNOKN-ABAIWWIYSA-N 1 0 339.823 2.732 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000908493151 727195199 /nfs/dbraw/zinc/19/51/99/727195199.db2.gz NFOAMJCNDWNVSB-UHFFFAOYSA-N 1 0 325.453 2.593 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910280370 727426790 /nfs/dbraw/zinc/42/67/90/727426790.db2.gz AMFSSAXILXNNRB-ZSMUJPCHSA-N 1 0 331.416 2.941 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([NH+]2CCC2)CC1 ZINC000912881305 727754404 /nfs/dbraw/zinc/75/44/04/727754404.db2.gz UEQHCHSTDFLYQI-UHFFFAOYSA-N 1 0 329.356 2.651 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000917073693 727764660 /nfs/dbraw/zinc/76/46/60/727764660.db2.gz OOAJVPIWUWIGLL-AJKQWTFCSA-N 1 0 345.399 2.820 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913276309 727812860 /nfs/dbraw/zinc/81/28/60/727812860.db2.gz HUJRKRATIXEKPO-OALUTQOASA-N 1 0 345.443 2.673 10 5 EFBERO CCc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000913282915 727815291 /nfs/dbraw/zinc/81/52/91/727815291.db2.gz KQYWJZDIGUMGFQ-ROUUACIJSA-N 1 0 331.416 2.571 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@]2(C)C1 ZINC000913284850 727815893 /nfs/dbraw/zinc/81/58/93/727815893.db2.gz RQPLAEJQQVAXSX-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000913294614 727818487 /nfs/dbraw/zinc/81/84/87/727818487.db2.gz ZQQFXOOHBLWCOR-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1CCC(CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913385108 727830600 /nfs/dbraw/zinc/83/06/00/727830600.db2.gz POGPTZQMXUXPLI-UHFFFAOYSA-N 1 0 343.786 2.735 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000913387744 727831324 /nfs/dbraw/zinc/83/13/24/727831324.db2.gz RLHLFLIWNWZXKP-UHFFFAOYSA-N 1 0 345.443 2.959 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393603 727833744 /nfs/dbraw/zinc/83/37/44/727833744.db2.gz UNNGKUMEDGTHTM-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO C[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000913394623 727834077 /nfs/dbraw/zinc/83/40/77/727834077.db2.gz ZWTVCGWLPGEQDI-LBPRGKRZSA-N 1 0 337.395 2.780 10 5 EFBERO CN(CCC[NH3+])c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000156865057 727992997 /nfs/dbraw/zinc/99/29/97/727992997.db2.gz JCVDSINXXMRMED-UHFFFAOYSA-N 1 0 339.193 2.691 10 5 EFBERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102575 728316855 /nfs/dbraw/zinc/31/68/55/728316855.db2.gz FIAMMOQHVPAUCW-JOYOIKCWSA-N 1 0 326.784 2.982 10 5 EFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000230134058 728563502 /nfs/dbraw/zinc/56/35/02/728563502.db2.gz QKGFDWGZTRJASB-XHVZSJERSA-N 1 0 340.221 2.921 10 5 EFBERO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000063166335 728614620 /nfs/dbraw/zinc/61/46/20/728614620.db2.gz NLUQPAYCFJYYDV-UHFFFAOYSA-N 1 0 328.210 2.793 10 5 EFBERO O=[N+]([O-])c1cncc(Br)c1NCC[C@@H]1CCC[NH2+]C1 ZINC000232478932 728664308 /nfs/dbraw/zinc/66/43/08/728664308.db2.gz IXLWZIHYYVJGAP-VIFPVBQESA-N 1 0 329.198 2.554 10 5 EFBERO CC[NH+](CC)C[C@@H](C)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000921054835 729256364 /nfs/dbraw/zinc/25/63/64/729256364.db2.gz CMSRENSYBPXLAY-AORWBKJGSA-N 1 0 335.404 2.923 10 5 EFBERO CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001569856229 1085679619 /nfs/dbraw/zinc/67/96/19/1085679619.db2.gz SWMCKDQYGQUTDR-RBVVOMGSSA-N 1 0 331.416 2.864 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001570618667 1086411931 /nfs/dbraw/zinc/41/19/31/1086411931.db2.gz JPNDQPCEFFDJKC-GJZGRUSLSA-N 1 0 342.399 2.602 10 5 EFBERO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001570620034 1086412822 /nfs/dbraw/zinc/41/28/22/1086412822.db2.gz YZWFVDKMGJOFDH-CVEARBPZSA-N 1 0 349.431 2.841 10 5 EFBERO CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001570620037 1086413329 /nfs/dbraw/zinc/41/33/29/1086413329.db2.gz YZWFVDKMGJOFDH-JKSUJKDBSA-N 1 0 349.431 2.841 10 5 EFBERO Cc1cc(C)cc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001570674183 1086453749 /nfs/dbraw/zinc/45/37/49/1086453749.db2.gz SZGRSMSCTQEWDP-IAGOWNOFSA-N 1 0 347.459 2.543 10 5 EFBERO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(C)(C)C ZINC001646537000 1087847401 /nfs/dbraw/zinc/84/74/01/1087847401.db2.gz PPMOEOQRRKVUMG-HNNXBMFYSA-N 1 0 331.420 2.633 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001646586237 1087893808 /nfs/dbraw/zinc/89/38/08/1087893808.db2.gz IVTOXVTXKHPLHW-AWEZNQCLSA-N 1 0 339.823 2.637 10 5 EFBERO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001647832742 1089892548 /nfs/dbraw/zinc/89/25/48/1089892548.db2.gz ZTSPGONTMMUULK-JKSUJKDBSA-N 1 0 331.416 2.760 10 5 EFBERO CCc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001647832741 1089892593 /nfs/dbraw/zinc/89/25/93/1089892593.db2.gz ZTSPGONTMMUULK-HZPDHXFCSA-N 1 0 331.416 2.760 10 5 EFBERO C[C@](CO)([NH2+]C[Si](C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001648016666 1089931008 /nfs/dbraw/zinc/93/10/08/1089931008.db2.gz AICCEHAOMOCTDP-GOSISDBHSA-N 1 0 344.487 2.547 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(c2nccn2C)CC1 ZINC001648212228 1089960318 /nfs/dbraw/zinc/96/03/18/1089960318.db2.gz JDCSAAXOSCZVAF-CQSZACIVSA-N 1 0 344.415 2.681 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001648277056 1089970595 /nfs/dbraw/zinc/97/05/95/1089970595.db2.gz FBVDOJFLQJZUHT-LLVKDONJSA-N 1 0 327.340 2.891 10 5 EFBERO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277945 1089970969 /nfs/dbraw/zinc/97/09/69/1089970969.db2.gz ZPNYTMGCDGOBFF-PWSUYJOCSA-N 1 0 345.403 2.623 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001648412885 1092211278 /nfs/dbraw/zinc/21/12/78/1092211278.db2.gz SLIWIIQDWRVVPB-CYBMUJFWSA-N 1 0 342.399 2.544 10 5 EFBERO CC1(C)CC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001648596014 1092235816 /nfs/dbraw/zinc/23/58/16/1092235816.db2.gz IKTNYRHWAONNMA-UHFFFAOYSA-N 1 0 348.447 2.635 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891549 1092612028 /nfs/dbraw/zinc/61/20/28/1092612028.db2.gz NKKOQKFFMIUUNW-HPRJGHKQSA-N 1 0 329.400 2.597 10 5 EFBERO C[N@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267213526 1093215911 /nfs/dbraw/zinc/21/59/11/1093215911.db2.gz ORVWPUJTMINTSB-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CSc1cccc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001595439523 1094468492 /nfs/dbraw/zinc/46/84/92/1094468492.db2.gz WGOZALKFJLXJDU-GFCCVEGCSA-N 1 0 337.445 2.731 10 5 EFBERO C/C(=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000785336962 1094834816 /nfs/dbraw/zinc/83/48/16/1094834816.db2.gz MNHCUXPLWALKPY-JWZGAQTFSA-N 1 0 329.400 2.741 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ncoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001481131613 1094896009 /nfs/dbraw/zinc/89/60/09/1094896009.db2.gz MLUWFGBPOXNYPM-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCC[N@H+](CCNC(=O)c1c[nH]cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001481154937 1095022455 /nfs/dbraw/zinc/02/24/55/1095022455.db2.gz ZPTMWNIRPLYHEK-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001481184308 1095173928 /nfs/dbraw/zinc/17/39/28/1095173928.db2.gz MMPIJAJQTNLQKA-ZSHCYNCHSA-N 1 0 343.427 2.722 10 5 EFBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC001268592046 1097313905 /nfs/dbraw/zinc/31/39/05/1097313905.db2.gz VCZSUJJKKBIOOB-ONEGZZNKSA-N 1 0 341.358 2.648 10 5 EFBERO CCc1occc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269407064 1098116900 /nfs/dbraw/zinc/11/69/00/1098116900.db2.gz DNOPGXWSGCXPAO-UHFFFAOYSA-N 1 0 343.383 2.802 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C12CCC(CC1)C2 ZINC001269436739 1098136796 /nfs/dbraw/zinc/13/67/96/1098136796.db2.gz ADDTXXOHJRZPQE-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c(C)[nH]1 ZINC001269497079 1098192206 /nfs/dbraw/zinc/19/22/06/1098192206.db2.gz IBCFUQASXQFZPY-UHFFFAOYSA-N 1 0 342.399 2.592 10 5 EFBERO O=C(NCC[N@H+](CC1CCC1)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269604430 1098285274 /nfs/dbraw/zinc/28/52/74/1098285274.db2.gz BZWRVRRYJDBPIE-IAGOWNOFSA-N 1 0 337.464 2.593 10 5 EFBERO CC(C)(F)C(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270200023 1098790656 /nfs/dbraw/zinc/79/06/56/1098790656.db2.gz FGQKBCGBLGGEFJ-UHFFFAOYSA-N 1 0 337.395 2.814 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001610922587 1098963177 /nfs/dbraw/zinc/96/31/77/1098963177.db2.gz FIOAWBZJJYWHQI-MNOVXSKESA-N 1 0 331.376 2.530 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001611391392 1099007109 /nfs/dbraw/zinc/00/71/09/1099007109.db2.gz OBZQVWCCELHXKA-CABCVRRESA-N 1 0 335.379 2.789 10 5 EFBERO CCC(CC)[NH2+]CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001612557358 1099066899 /nfs/dbraw/zinc/06/68/99/1099066899.db2.gz OWDWPFGNBVZAJM-CLFYSBASSA-N 1 0 335.404 2.971 10 5 EFBERO CC(C)[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001612611736 1099071175 /nfs/dbraw/zinc/07/11/75/1099071175.db2.gz XVYPPLIHXYETNS-INIZCTEOSA-N 1 0 343.431 2.675 10 5 EFBERO O=[N+]([O-])c1ccnn1CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001613488651 1099099110 /nfs/dbraw/zinc/09/91/10/1099099110.db2.gz PVWSTOUHKMJAHJ-UHFFFAOYSA-N 1 0 349.822 2.657 10 5 EFBERO CC1(C)CC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)OC1 ZINC001615164206 1099151933 /nfs/dbraw/zinc/15/19/33/1099151933.db2.gz JKUSVMPVAKMSIP-QGZVFWFLSA-N 1 0 333.432 2.922 10 5 EFBERO C/C(=C\C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785266176 1099238114 /nfs/dbraw/zinc/23/81/14/1099238114.db2.gz KMQUUVSKTFRXGA-FQZGENGWSA-N 1 0 331.416 2.846 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001617468918 1099241020 /nfs/dbraw/zinc/24/10/20/1099241020.db2.gz ZVIZUHXRYZRCDF-MRXNPFEDSA-N 1 0 333.432 2.716 10 5 EFBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC001620428526 1099352058 /nfs/dbraw/zinc/35/20/58/1099352058.db2.gz NNMDNJCWTRAUDV-SFHVURJKSA-N 1 0 347.459 2.713 10 5 EFBERO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001620557394 1099361029 /nfs/dbraw/zinc/36/10/29/1099361029.db2.gz LABGISQQDSQORL-GFCCVEGCSA-N 1 0 343.387 2.681 10 5 EFBERO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583483 1099362569 /nfs/dbraw/zinc/36/25/69/1099362569.db2.gz MHLAQIOYBLVARL-KSSFIOAISA-N 1 0 333.432 2.577 10 5 EFBERO C[C@@]12CSC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001620647045 1099365214 /nfs/dbraw/zinc/36/52/14/1099365214.db2.gz AYUUADHSTLJOIE-BLLLJJGKSA-N 1 0 335.429 2.608 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001620641401 1099366481 /nfs/dbraw/zinc/36/64/81/1099366481.db2.gz MXIHUWBMCYBNNR-OLMNPRSZSA-N 1 0 334.416 2.503 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001621248818 1099395798 /nfs/dbraw/zinc/39/57/98/1099395798.db2.gz NOSCNFLODVXIBV-CRPZLVSXSA-N 1 0 342.395 2.897 10 5 EFBERO Cc1cccc(CC(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001481272932 1099467510 /nfs/dbraw/zinc/46/75/10/1099467510.db2.gz LUDIDENEPMSQCJ-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001625594691 1099830615 /nfs/dbraw/zinc/83/06/15/1099830615.db2.gz PFKZDOXVMCCTHH-YPMHNXCESA-N 1 0 337.395 2.893 10 5 EFBERO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001628112929 1100063661 /nfs/dbraw/zinc/06/36/61/1100063661.db2.gz VLLDHSIGIGRFAZ-UHFFFAOYSA-N 1 0 334.420 2.514 10 5 EFBERO CC[NH+]1CCC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001628887589 1100145552 /nfs/dbraw/zinc/14/55/52/1100145552.db2.gz VUDNQKWVTNNJBT-UHFFFAOYSA-N 1 0 342.399 2.544 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629730197 1100240302 /nfs/dbraw/zinc/24/03/02/1100240302.db2.gz PCGPMLTWSCEINK-UHFFFAOYSA-N 1 0 327.812 2.591 10 5 EFBERO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629767512 1100244965 /nfs/dbraw/zinc/24/49/65/1100244965.db2.gz BVIAYFZAQHDXFR-UHFFFAOYSA-N 1 0 327.812 2.637 10 5 EFBERO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001629984066 1100266074 /nfs/dbraw/zinc/26/60/74/1100266074.db2.gz OCVOSXWGRBHEOS-JTQLQIEISA-N 1 0 343.786 2.849 10 5 EFBERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634433894 1100607367 /nfs/dbraw/zinc/60/73/67/1100607367.db2.gz USKVFGZIXCCIOA-UHFFFAOYSA-N 1 0 348.447 2.952 10 5 EFBERO Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1 ZINC001634603975 1100618245 /nfs/dbraw/zinc/61/82/45/1100618245.db2.gz IABNSGMAALZRNR-AWEZNQCLSA-N 1 0 343.387 2.620 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c[nH+]cn2c1 ZINC001636194500 1100706520 /nfs/dbraw/zinc/70/65/20/1100706520.db2.gz JQDDHLMBNJWMLU-UHFFFAOYSA-N 1 0 328.353 2.973 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 ZINC001637589849 1100792617 /nfs/dbraw/zinc/79/26/17/1100792617.db2.gz RNQAODFLFDUDHB-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001637913091 1100817059 /nfs/dbraw/zinc/81/70/59/1100817059.db2.gz UTXYOTBJTLSVGQ-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(F)c1 ZINC001637933646 1100818996 /nfs/dbraw/zinc/81/89/96/1100818996.db2.gz JCYWLUXYSAECNK-UHFFFAOYSA-N 1 0 332.335 2.630 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001638777237 1100886035 /nfs/dbraw/zinc/88/60/35/1100886035.db2.gz LRZYTJYOJRBUGV-UONOGXRCSA-N 1 0 337.445 2.775 10 5 EFBERO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001639758481 1100981058 /nfs/dbraw/zinc/98/10/58/1100981058.db2.gz ZIBPRIMCZMRHLM-UHFFFAOYSA-N 1 0 332.404 2.913 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001640387761 1101040665 /nfs/dbraw/zinc/04/06/65/1101040665.db2.gz VWEXXIBRJKQYQN-GFCCVEGCSA-N 1 0 337.395 2.893 10 5 EFBERO CCOc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC001640396538 1101042099 /nfs/dbraw/zinc/04/20/99/1101042099.db2.gz NOVKITSFLKKNBC-UKRRQHHQSA-N 1 0 337.445 2.985 10 5 EFBERO CC(C)[N@H+](C)CCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001642053213 1101186109 /nfs/dbraw/zinc/18/61/09/1101186109.db2.gz YVLXATJYRKUCKO-UHFFFAOYSA-N 1 0 347.375 2.615 10 5 EFBERO CC(C)(C)CC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001642119750 1101191011 /nfs/dbraw/zinc/19/10/11/1101191011.db2.gz IDOJSCUTGDQIGU-UHFFFAOYSA-N 1 0 339.411 2.784 10 5 EFBERO CCC[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001642933473 1101257793 /nfs/dbraw/zinc/25/77/93/1101257793.db2.gz FXNRZKIYHSFPQN-QGZVFWFLSA-N 1 0 346.387 2.772 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001643024536 1101264922 /nfs/dbraw/zinc/26/49/22/1101264922.db2.gz FUXSLIYLFMEDLJ-CQSZACIVSA-N 1 0 326.400 2.994 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCC[N@@H+]3CCSC[C@H]13)CCCC2 ZINC001643172159 1101276884 /nfs/dbraw/zinc/27/68/84/1101276884.db2.gz GYBULZKEFNYMPV-GDBMZVCRSA-N 1 0 348.472 2.860 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651441040 1101331167 /nfs/dbraw/zinc/33/11/67/1101331167.db2.gz CYZYRUCLLPCFFX-LBPRGKRZSA-N 1 0 332.379 2.848 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651574104 1101350489 /nfs/dbraw/zinc/35/04/89/1101350489.db2.gz FADALKRHOPVBRK-QWHCGFSZSA-N 1 0 332.379 2.989 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001651672149 1101365355 /nfs/dbraw/zinc/36/53/55/1101365355.db2.gz MRBCIRFCDGLSMZ-AWEZNQCLSA-N 1 0 349.431 2.796 10 5 EFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001652233781 1101457303 /nfs/dbraw/zinc/45/73/03/1101457303.db2.gz BKVGKVPRTIIMKN-GFCCVEGCSA-N 1 0 334.376 2.956 10 5 EFBERO COc1cccc(C[C@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001652342046 1101481357 /nfs/dbraw/zinc/48/13/57/1101481357.db2.gz GCQJGOANZFDRIQ-INIZCTEOSA-N 1 0 341.411 2.933 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1Cl ZINC001652491321 1101499452 /nfs/dbraw/zinc/49/94/52/1101499452.db2.gz IUNSDROLSDWWGP-CYBMUJFWSA-N 1 0 325.796 2.627 10 5 EFBERO C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001652491603 1101499522 /nfs/dbraw/zinc/49/95/22/1101499522.db2.gz MGRPRXCGYYNOBE-LLVKDONJSA-N 1 0 346.214 2.972 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001652491553 1101500344 /nfs/dbraw/zinc/50/03/44/1101500344.db2.gz LJNVOVJUBVARBK-HOCLYGCPSA-N 1 0 333.432 2.620 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001652603583 1101520297 /nfs/dbraw/zinc/52/02/97/1101520297.db2.gz NIVNJMXFMMSFDE-AWEZNQCLSA-N 1 0 330.388 2.536 10 5 EFBERO CCOC(=O)C[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC001653379878 1101615213 /nfs/dbraw/zinc/61/52/13/1101615213.db2.gz IGMBRQQZBYAHRA-KRWDZBQOSA-N 1 0 338.404 2.931 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC001655024914 1101779279 /nfs/dbraw/zinc/77/92/79/1101779279.db2.gz QLPYQFNHHMNXPR-QWHCGFSZSA-N 1 0 335.404 2.914 10 5 EFBERO O=C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001655119296 1101785731 /nfs/dbraw/zinc/78/57/31/1101785731.db2.gz YDRTWDILZHPJLD-MRXNPFEDSA-N 1 0 343.427 2.996 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001655445228 1101826487 /nfs/dbraw/zinc/82/64/87/1101826487.db2.gz NJRVFLNIWACVMR-GFCCVEGCSA-N 1 0 332.404 2.716 10 5 EFBERO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001655615153 1101858243 /nfs/dbraw/zinc/85/82/43/1101858243.db2.gz XYSGNUBNKDVSBB-IRXDYDNUSA-N 1 0 348.447 2.584 10 5 EFBERO C[NH+](C)C[C@]1(O)CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001655611993 1101860529 /nfs/dbraw/zinc/86/05/29/1101860529.db2.gz GEBHEPOSVLGOKI-CQSZACIVSA-N 1 0 348.230 2.795 10 5 EFBERO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3nn(C)cc3[N+](=O)[O-])C2)s1 ZINC001655629929 1101862108 /nfs/dbraw/zinc/86/21/08/1101862108.db2.gz OPBRRPOQFWBYSY-ZDUSSCGKSA-N 1 0 349.460 2.657 10 5 EFBERO COc1ccc(C[NH+]2CCC(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC001655639893 1101866051 /nfs/dbraw/zinc/86/60/51/1101866051.db2.gz KENNSJALWBYSHP-UHFFFAOYSA-N 1 0 328.372 2.773 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669762 1101867162 /nfs/dbraw/zinc/86/71/62/1101867162.db2.gz LKPYDEFJTROZFT-HOTGVXAUSA-N 1 0 326.400 2.850 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)n1 ZINC001655853707 1101901120 /nfs/dbraw/zinc/90/11/20/1101901120.db2.gz VAZCIBOLVYHLJX-OAHLLOKOSA-N 1 0 330.388 2.594 10 5 EFBERO CCc1occc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266688421 1101901396 /nfs/dbraw/zinc/90/13/96/1101901396.db2.gz AVZNSMUNAWAOHI-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3c4cccc(Cl)c4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001655955455 1101915901 /nfs/dbraw/zinc/91/59/01/1101915901.db2.gz KAUUXHKHDVVSHT-JKOKRWQUSA-N 1 0 346.818 2.970 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001655965212 1101918060 /nfs/dbraw/zinc/91/80/60/1101918060.db2.gz KLRVHEFLCGPJHK-AWEZNQCLSA-N 1 0 349.822 2.924 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266705680 1101957317 /nfs/dbraw/zinc/95/73/17/1101957317.db2.gz PTBOWLADJULDHK-SNYOTVKOSA-N 1 0 335.429 2.916 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001656143286 1101974101 /nfs/dbraw/zinc/97/41/01/1101974101.db2.gz MLZMTSRNOROIJH-OTVXOJSOSA-N 1 0 349.406 2.862 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001656524327 1102113846 /nfs/dbraw/zinc/11/38/46/1102113846.db2.gz VYZQVFUSTMDGJL-CQSZACIVSA-N 1 0 333.388 2.533 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001656549824 1102119259 /nfs/dbraw/zinc/11/92/59/1102119259.db2.gz VCJDCCBMAGHNDE-KRWDZBQOSA-N 1 0 333.388 2.568 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001656549825 1102119303 /nfs/dbraw/zinc/11/93/03/1102119303.db2.gz VCJDCCBMAGHNDE-QGZVFWFLSA-N 1 0 333.388 2.568 10 5 EFBERO C[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC001658433284 1102460244 /nfs/dbraw/zinc/46/02/44/1102460244.db2.gz JEZCGECUKQUMAB-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO C[C@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000075827135 1102576086 /nfs/dbraw/zinc/57/60/86/1102576086.db2.gz NHPVRVKQEOMBLL-IBGZPJMESA-N 1 0 341.411 2.625 10 5 EFBERO C[N@H+](CCNC(=O)c1ccoc1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480903954 1102743485 /nfs/dbraw/zinc/74/34/85/1102743485.db2.gz BIBXQXLNWPYRKM-UHFFFAOYSA-N 1 0 343.383 2.927 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc[nH]c1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266559101 1102744132 /nfs/dbraw/zinc/74/41/32/1102744132.db2.gz ZLSKRFZJMOQCEZ-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO CC[N@H+](CCCNC(=O)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001660497859 1102798693 /nfs/dbraw/zinc/79/86/93/1102798693.db2.gz LKHBNNQOPWTUFH-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO CCNc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001126625162 1102989358 /nfs/dbraw/zinc/98/93/58/1102989358.db2.gz JLMPRMSOABQHMW-ZIAGYGMSSA-N 1 0 334.420 2.629 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905378510 1103134361 /nfs/dbraw/zinc/13/43/61/1103134361.db2.gz LUANSCPIYRVCGZ-AWEZNQCLSA-N 1 0 339.823 2.781 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661403941 1103255436 /nfs/dbraw/zinc/25/54/36/1103255436.db2.gz ZFLJHQNUUMWKGP-VGRCQALKSA-N 1 0 331.416 2.934 10 5 EFBERO Cc1ccncc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271984924 1103345861 /nfs/dbraw/zinc/34/58/61/1103345861.db2.gz XPYSRDRWHBOXMG-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001483449007 1103737620 /nfs/dbraw/zinc/73/76/20/1103737620.db2.gz NZTVOKJNHZGQIO-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO Cc1ncccc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001483488204 1103815837 /nfs/dbraw/zinc/81/58/37/1103815837.db2.gz LPDRBZJWJARPMQ-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001663355906 1104067183 /nfs/dbraw/zinc/06/71/83/1104067183.db2.gz ZQMCJOOGNKHBAO-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001663649394 1104182631 /nfs/dbraw/zinc/18/26/31/1104182631.db2.gz NEEHOEVMOXQPJD-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC001663700206 1104193454 /nfs/dbraw/zinc/19/34/54/1104193454.db2.gz CCLBDZFBTXVISQ-UHFFFAOYSA-N 1 0 339.395 2.989 10 5 EFBERO Cc1coc(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001663750153 1104206852 /nfs/dbraw/zinc/20/68/52/1104206852.db2.gz ZVFWKHIWDOIHIQ-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC001663790492 1104212857 /nfs/dbraw/zinc/21/28/57/1104212857.db2.gz KLRONTPOMKGETH-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO Cc1cnccc1C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001482594917 1104263040 /nfs/dbraw/zinc/26/30/40/1104263040.db2.gz JMMKOXZTNWXUTH-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001126675995 1104274921 /nfs/dbraw/zinc/27/49/21/1104274921.db2.gz ODLVVSJLCDRHLC-INIZCTEOSA-N 1 0 349.406 2.657 10 5 EFBERO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001299189237 1104317228 /nfs/dbraw/zinc/31/72/28/1104317228.db2.gz OZCGPHGGGUEXAZ-UHFFFAOYSA-N 1 0 347.346 2.927 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]cc1C1CC1 ZINC001664277632 1104337878 /nfs/dbraw/zinc/33/78/78/1104337878.db2.gz QNGVVCMVCYLTKN-UHFFFAOYSA-N 1 0 342.399 2.662 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906677709 1104424164 /nfs/dbraw/zinc/42/41/64/1104424164.db2.gz OVQGZQPWBYATIO-HNNXBMFYSA-N 1 0 341.839 2.883 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906677710 1104425244 /nfs/dbraw/zinc/42/52/44/1104425244.db2.gz OVQGZQPWBYATIO-OAHLLOKOSA-N 1 0 341.839 2.883 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906749424 1104473580 /nfs/dbraw/zinc/47/35/80/1104473580.db2.gz KULNMQIOJUXLMA-UHFFFAOYSA-N 1 0 341.839 2.981 10 5 EFBERO O=C(C1CC1)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001666177159 1104894140 /nfs/dbraw/zinc/89/41/40/1104894140.db2.gz OADRBGSSTFBFHO-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC(C)(C)C1 ZINC001668418948 1105295046 /nfs/dbraw/zinc/29/50/46/1105295046.db2.gz BWSNEHRTTWSKEJ-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001668685575 1105348915 /nfs/dbraw/zinc/34/89/15/1105348915.db2.gz PMBAIMXTTUUSBQ-ONEGZZNKSA-N 1 0 331.397 2.732 10 5 EFBERO CCc1occc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483005056 1105519232 /nfs/dbraw/zinc/51/92/32/1105519232.db2.gz YPXYSFQOPURFRT-WAYWQWQTSA-N 1 0 343.383 2.826 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccoc1Cl ZINC001483005290 1105520153 /nfs/dbraw/zinc/52/01/53/1105520153.db2.gz WVUMHCZMOSHVPE-ONEGZZNKSA-N 1 0 349.774 2.917 10 5 EFBERO Cc1cocc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001670209030 1105596892 /nfs/dbraw/zinc/59/68/92/1105596892.db2.gz XUZHXDBSGOYGPC-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)F ZINC001674814289 1106261619 /nfs/dbraw/zinc/26/16/19/1106261619.db2.gz DZYFMIXFHFKFAR-UHFFFAOYSA-N 1 0 339.411 2.917 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001676402009 1106525569 /nfs/dbraw/zinc/52/55/69/1106525569.db2.gz ISCVIGFDPYPJSX-HUUCEWRRSA-N 1 0 348.447 2.824 10 5 EFBERO [NH3+][C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903982878 1107482536 /nfs/dbraw/zinc/48/25/36/1107482536.db2.gz YHLLYVAKPPAERP-ZTGIWPAFSA-N 1 0 329.322 2.820 10 5 EFBERO CCO[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C[NH+](C)C ZINC000926962022 1108301683 /nfs/dbraw/zinc/30/16/83/1108301683.db2.gz QHZWGEICMNGIKM-JSGCOSHPSA-N 1 0 341.477 2.934 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)co1 ZINC001483729065 1108388570 /nfs/dbraw/zinc/38/85/70/1108388570.db2.gz RVGMUHBNORVHSW-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC([NH+]2CCCC2)C1 ZINC000898608486 1109029530 /nfs/dbraw/zinc/02/95/30/1109029530.db2.gz VXUJEYQECWLUBL-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000898833476 1109097195 /nfs/dbraw/zinc/09/71/95/1109097195.db2.gz TXXFQEYPQCLADF-KNXALSJPSA-N 1 0 349.406 2.826 10 5 EFBERO C[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000898833477 1109097290 /nfs/dbraw/zinc/09/72/90/1109097290.db2.gz TXXFQEYPQCLADF-UVBJJODRSA-N 1 0 349.406 2.826 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898832727 1109102386 /nfs/dbraw/zinc/10/23/86/1109102386.db2.gz YHDDSXOPZKPYQR-JKSUJKDBSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000898841149 1109107552 /nfs/dbraw/zinc/10/75/52/1109107552.db2.gz LNEIGZIKQDMTRJ-HZPDHXFCSA-N 1 0 342.399 2.679 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000899554631 1109385318 /nfs/dbraw/zinc/38/53/18/1109385318.db2.gz KZVGHZGDGAMVDB-UHFFFAOYSA-N 1 0 349.406 2.753 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000899562789 1109387957 /nfs/dbraw/zinc/38/79/57/1109387957.db2.gz GMMZQEXNHFLFCB-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000899562844 1109388566 /nfs/dbraw/zinc/38/85/66/1109388566.db2.gz JDGDGIMJBKGUNK-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000899558453 1109389796 /nfs/dbraw/zinc/38/97/96/1109389796.db2.gz LINJQNFHNUJGPX-UHFFFAOYSA-N 1 0 345.443 2.923 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914443737 1111147893 /nfs/dbraw/zinc/14/78/93/1111147893.db2.gz NRUUDYGQWJGRPJ-JSGCOSHPSA-N 1 0 334.420 2.512 10 5 EFBERO CNc1ccc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000914444823 1111150182 /nfs/dbraw/zinc/15/01/82/1111150182.db2.gz ZVJLTMRMMFKMOJ-DZGCQCFKSA-N 1 0 348.447 2.971 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000154189275 1111987465 /nfs/dbraw/zinc/98/74/65/1111987465.db2.gz WLMYOQFZDKLMDO-HNNXBMFYSA-N 1 0 346.358 2.532 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000154189398 1111987493 /nfs/dbraw/zinc/98/74/93/1111987493.db2.gz WLMYOQFZDKLMDO-OAHLLOKOSA-N 1 0 346.358 2.532 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001484623599 1113072712 /nfs/dbraw/zinc/07/27/12/1113072712.db2.gz QCKNFDDYCDNMGU-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO O=C(CCC1CC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484628334 1113077311 /nfs/dbraw/zinc/07/73/11/1113077311.db2.gz UHTHFBIOPYNEDQ-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC1(CC(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001484644059 1113085741 /nfs/dbraw/zinc/08/57/41/1113085741.db2.gz QKXNRDQUHIWGMN-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(CCC1CC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001485679244 1118524402 /nfs/dbraw/zinc/52/44/02/1118524402.db2.gz KTAGPDCFGCWAHT-KOMQPUFPSA-N 1 0 331.416 2.769 10 5 EFBERO C[NH2+]CCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000051866855 214106176 /nfs/dbraw/zinc/10/61/76/214106176.db2.gz MPBHHZSITQSLKM-UHFFFAOYSA-N 1 0 326.150 2.504 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000175012407 529406764 /nfs/dbraw/zinc/40/67/64/529406764.db2.gz CQYDMNWPGZHISQ-TZMCWYRMSA-N 1 0 342.399 2.775 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174124016 231126308 /nfs/dbraw/zinc/12/63/08/231126308.db2.gz IEYLONSWTVXRTP-YHWZYXNKSA-N 1 0 348.403 2.740 10 5 EFBERO CCc1csc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174838646 529692636 /nfs/dbraw/zinc/69/26/36/529692636.db2.gz BGVNBJGJMAALDZ-GFCCVEGCSA-N 1 0 335.433 2.690 10 5 EFBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@@H]21 ZINC000154178769 530058631 /nfs/dbraw/zinc/05/86/31/530058631.db2.gz UJJMLNCEDCJCSC-PXAZEXFGSA-N 1 0 342.399 2.632 10 5 EFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289829 232126650 /nfs/dbraw/zinc/12/66/50/232126650.db2.gz ZUNPWGVRAODJSQ-MRXNPFEDSA-N 1 0 330.388 2.643 10 5 EFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291222 232127319 /nfs/dbraw/zinc/12/73/19/232127319.db2.gz KVPRLUFDAXLQMO-MRXNPFEDSA-N 1 0 330.388 2.643 10 5 EFBERO CC(C)Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040597466 213357016 /nfs/dbraw/zinc/35/70/16/213357016.db2.gz OOLFLEHQMNVCRE-UHFFFAOYSA-N 1 0 336.440 2.926 10 5 EFBERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868522 234014048 /nfs/dbraw/zinc/01/40/48/234014048.db2.gz RHVFNQADZSSCDX-BLLLJJGKSA-N 1 0 346.383 2.996 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183331871 235012398 /nfs/dbraw/zinc/01/23/98/235012398.db2.gz KAJNHFWMHBUMJO-QGZVFWFLSA-N 1 0 341.415 2.794 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000071792534 215828385 /nfs/dbraw/zinc/82/83/85/215828385.db2.gz YZFCHEBIEATJCP-UHFFFAOYSA-N 1 0 326.400 2.744 10 5 EFBERO Cn1cc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000129842509 223097088 /nfs/dbraw/zinc/09/70/88/223097088.db2.gz JDJHJNBOBJCLSJ-RDJZCZTQSA-N 1 0 328.416 2.872 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000072685484 216293112 /nfs/dbraw/zinc/29/31/12/216293112.db2.gz FXBJGNWSNYZJHZ-UHFFFAOYSA-N 1 0 335.404 2.731 10 5 EFBERO C[C@H](CCC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000336678721 143724060 /nfs/dbraw/zinc/72/40/60/143724060.db2.gz CXXZPVDDFCQIEL-MRVPVSSYSA-N 1 0 349.172 2.739 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000229884185 242210228 /nfs/dbraw/zinc/21/02/28/242210228.db2.gz HKEFNUBDNGKKFK-MRVPVSSYSA-N 1 0 325.166 2.931 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)co2)cc1 ZINC000246012257 243184376 /nfs/dbraw/zinc/18/43/76/243184376.db2.gz ZTMFHDDTQFKDMI-KRWDZBQOSA-N 1 0 342.399 2.920 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246796442 243320269 /nfs/dbraw/zinc/32/02/69/243320269.db2.gz PHBNQBPSJKOPNO-LSDHHAIUSA-N 1 0 348.447 2.646 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246940642 243336539 /nfs/dbraw/zinc/33/65/39/243336539.db2.gz HMQQBLBIRRUDHL-HOCLYGCPSA-N 1 0 346.431 2.844 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000414650705 244274453 /nfs/dbraw/zinc/27/44/53/244274453.db2.gz BGHMVDZVEPFNQL-UHFFFAOYSA-N 1 0 342.399 2.939 10 5 EFBERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000159174036 296153902 /nfs/dbraw/zinc/15/39/02/296153902.db2.gz ZGNHQCNRHBXACF-KDOFPFPSSA-N 1 0 341.411 2.945 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418580388 245201429 /nfs/dbraw/zinc/20/14/29/245201429.db2.gz SQZRGLMCLTUBJI-CZUORRHYSA-N 1 0 334.420 2.513 10 5 EFBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000419002668 245328007 /nfs/dbraw/zinc/32/80/07/245328007.db2.gz MMVLGXIESTVEPG-QWRGUYRKSA-N 1 0 347.337 2.505 10 5 EFBERO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000081334868 217385023 /nfs/dbraw/zinc/38/50/23/217385023.db2.gz WTPWEKKJQBYQLM-CYBMUJFWSA-N 1 0 344.415 2.880 10 5 EFBERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000422194308 246294198 /nfs/dbraw/zinc/29/41/98/246294198.db2.gz YQHMWZWZROQSBT-HOTGVXAUSA-N 1 0 334.420 2.782 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+](C)C ZINC000264856514 246974077 /nfs/dbraw/zinc/97/40/77/246974077.db2.gz DBFWYZOPFSAKOJ-GFCCVEGCSA-N 1 0 325.434 2.533 10 5 EFBERO COC(=O)COc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430877233 247844526 /nfs/dbraw/zinc/84/45/26/247844526.db2.gz WAHSIUYSBPULST-LBPRGKRZSA-N 1 0 334.372 2.545 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433816919 248092136 /nfs/dbraw/zinc/09/21/36/248092136.db2.gz AUOCNHWCVISRNM-CQSZACIVSA-N 1 0 333.388 2.810 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441198694 250007488 /nfs/dbraw/zinc/00/74/88/250007488.db2.gz NNGAXRSRHLKXIM-LSDHHAIUSA-N 1 0 347.415 2.590 10 5 EFBERO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010018879 211141055 /nfs/dbraw/zinc/14/10/55/211141055.db2.gz CYNNMPCCJLVCHW-QGZVFWFLSA-N 1 0 343.383 2.636 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2O)n1 ZINC000447528856 250572308 /nfs/dbraw/zinc/57/23/08/250572308.db2.gz KKJMOSXKVQNIRK-GJZGRUSLSA-N 1 0 330.388 2.813 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccccc2O)n1 ZINC000447528854 250572360 /nfs/dbraw/zinc/57/23/60/250572360.db2.gz KKJMOSXKVQNIRK-CABCVRRESA-N 1 0 330.388 2.813 10 5 EFBERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449384433 251005996 /nfs/dbraw/zinc/00/59/96/251005996.db2.gz NLYCSOKQNUSFHO-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000449418553 251018182 /nfs/dbraw/zinc/01/81/82/251018182.db2.gz DHGISENWFIERJP-ROUUACIJSA-N 1 0 330.359 2.895 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000449433464 251026537 /nfs/dbraw/zinc/02/65/37/251026537.db2.gz MMRDQTUJSUSZSN-BJJXKVORSA-N 1 0 340.807 2.610 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000449494180 251044037 /nfs/dbraw/zinc/04/40/37/251044037.db2.gz MXTRXULWHCHTGZ-MLGOLLRUSA-N 1 0 338.404 2.850 10 5 EFBERO CCc1ncc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000449608365 251082032 /nfs/dbraw/zinc/08/20/32/251082032.db2.gz HATHUCGFHYVRRE-LLVKDONJSA-N 1 0 332.360 2.652 10 5 EFBERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676092 251113616 /nfs/dbraw/zinc/11/36/16/251113616.db2.gz FBUAAJAQOURHEB-SUMWQHHRSA-N 1 0 346.383 2.827 10 5 EFBERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679065 251113635 /nfs/dbraw/zinc/11/36/35/251113635.db2.gz QULGHDCWCNCCCC-CJNGLKHVSA-N 1 0 346.383 2.827 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000449776933 251152093 /nfs/dbraw/zinc/15/20/93/251152093.db2.gz PIDQNTXPRGNPCQ-ZDUSSCGKSA-N 1 0 338.404 2.861 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450310603 251339673 /nfs/dbraw/zinc/33/96/73/251339673.db2.gz XNNDILFJBLGYMN-CYBMUJFWSA-N 1 0 330.388 2.666 10 5 EFBERO C[NH+](C)CCN(Cc1ccco1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450375945 251365571 /nfs/dbraw/zinc/36/55/71/251365571.db2.gz GAOXCHKWEFPVFP-UHFFFAOYSA-N 1 0 329.360 2.632 10 5 EFBERO COC(=O)Cc1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000450494999 251399786 /nfs/dbraw/zinc/39/97/86/251399786.db2.gz QRXZEIGQHCQBHN-UHFFFAOYSA-N 1 0 347.415 2.739 10 5 EFBERO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450436883 251386120 /nfs/dbraw/zinc/38/61/20/251386120.db2.gz RVCFPJTWAFGTCU-STQMWFEESA-N 1 0 343.431 2.958 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000451220378 251480828 /nfs/dbraw/zinc/48/08/28/251480828.db2.gz VOXQKZKCUZQQAV-AWEZNQCLSA-N 1 0 349.431 2.717 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152496589 223974983 /nfs/dbraw/zinc/97/49/83/223974983.db2.gz ZTXFZOAJWZHBAY-HNNXBMFYSA-N 1 0 341.415 2.943 10 5 EFBERO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452110130 251790541 /nfs/dbraw/zinc/79/05/41/251790541.db2.gz YCVHPFOXYYTMMD-AWEZNQCLSA-N 1 0 335.404 2.672 10 5 EFBERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565418 532985054 /nfs/dbraw/zinc/98/50/54/532985054.db2.gz LHCGMWZHAKWILW-SJCJKPOMSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261617826 285109930 /nfs/dbraw/zinc/10/99/30/285109930.db2.gz UHUGUCJJQCMEJG-ZDUSSCGKSA-N 1 0 326.194 2.547 10 5 EFBERO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000352852641 285163629 /nfs/dbraw/zinc/16/36/29/285163629.db2.gz RVQBWHYMMBAPEB-SFHVURJKSA-N 1 0 333.432 2.658 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@@H](Cn3cncn3)C2)ccc1Cl ZINC000153884604 224170840 /nfs/dbraw/zinc/17/08/40/224170840.db2.gz WWQZEXILWABCPX-CYBMUJFWSA-N 1 0 335.795 2.752 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174122727 533224661 /nfs/dbraw/zinc/22/46/61/533224661.db2.gz UVYSJHDEOMVZKN-VXGBXAGGSA-N 1 0 336.392 2.550 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000344844771 533408693 /nfs/dbraw/zinc/40/86/93/533408693.db2.gz CHUXRPCQKVQMEI-XIVLCOFXSA-N 1 0 329.400 2.597 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869502 141356106 /nfs/dbraw/zinc/35/61/06/141356106.db2.gz VLJITANVFOHIJG-OAHLLOKOSA-N 1 0 343.431 2.597 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCOCc1ccccc1)CC2 ZINC000347783941 142271638 /nfs/dbraw/zinc/27/16/38/142271638.db2.gz KQHPLSSBKWVPTH-UHFFFAOYSA-N 1 0 327.384 2.955 10 5 EFBERO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843171 142280941 /nfs/dbraw/zinc/28/09/41/142280941.db2.gz JGOYOVXUMBHEGG-RISCZKNCSA-N 1 0 335.379 2.533 10 5 EFBERO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843170 142281020 /nfs/dbraw/zinc/28/10/20/142281020.db2.gz JGOYOVXUMBHEGG-FZMZJTMJSA-N 1 0 335.379 2.533 10 5 EFBERO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352400661 142480815 /nfs/dbraw/zinc/48/08/15/142480815.db2.gz SLNVQQKDDIRKNU-HNNXBMFYSA-N 1 0 349.431 2.732 10 5 EFBERO Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342122153 145065809 /nfs/dbraw/zinc/06/58/09/145065809.db2.gz NJJGUDXYJQICHI-KRWDZBQOSA-N 1 0 341.411 2.806 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000343763553 145288493 /nfs/dbraw/zinc/28/84/93/145288493.db2.gz VWSFRCBBZWQROA-RVKKMQEKSA-N 1 0 334.416 2.847 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684348 145986983 /nfs/dbraw/zinc/98/69/83/145986983.db2.gz PEXPDLZEEZARDE-BBRMVZONSA-N 1 0 345.399 2.815 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353051428 146385991 /nfs/dbraw/zinc/38/59/91/146385991.db2.gz XWSMVRUNGJSZJG-GFCCVEGCSA-N 1 0 340.445 2.774 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355730842 147047157 /nfs/dbraw/zinc/04/71/57/147047157.db2.gz PKQIXOOWHFEIOA-QWHCGFSZSA-N 1 0 336.388 2.767 10 5 EFBERO Cn1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000357693073 147596241 /nfs/dbraw/zinc/59/62/41/147596241.db2.gz YLAUMBXUOXHXRA-UHFFFAOYSA-N 1 0 328.372 2.781 10 5 EFBERO Cc1c(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000359279405 148044035 /nfs/dbraw/zinc/04/40/35/148044035.db2.gz ZFZUUXPUASHUJY-UHFFFAOYSA-N 1 0 348.447 2.823 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000359779050 148186870 /nfs/dbraw/zinc/18/68/70/148186870.db2.gz TWGVAFGIGLJWTL-LBPRGKRZSA-N 1 0 332.404 2.926 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000360241769 148308528 /nfs/dbraw/zinc/30/85/28/148308528.db2.gz LHSAZAVUTCTJHJ-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO Cc1ccnc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363796168 149013874 /nfs/dbraw/zinc/01/38/74/149013874.db2.gz QZEOUNFWZMKFQP-KRWDZBQOSA-N 1 0 342.399 2.606 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000365438702 149396998 /nfs/dbraw/zinc/39/69/98/149396998.db2.gz QHJTVTBCCJNZBT-UHFFFAOYSA-N 1 0 331.416 2.661 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+]4CCC3CC4)cs2)c1 ZINC000368046582 150018540 /nfs/dbraw/zinc/01/85/40/150018540.db2.gz ZCXYSEDUAFXCGS-UHFFFAOYSA-N 1 0 344.440 2.998 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368151209 150051124 /nfs/dbraw/zinc/05/11/24/150051124.db2.gz ZHHFHCKZOPOUJL-MAUKXSAKSA-N 1 0 327.384 2.588 10 5 EFBERO CCOC(=O)c1ccnc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000369557404 150387713 /nfs/dbraw/zinc/38/77/13/150387713.db2.gz VJUGDSRNZBWBBH-UHFFFAOYSA-N 1 0 348.403 2.595 10 5 EFBERO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000373743851 151219912 /nfs/dbraw/zinc/21/99/12/151219912.db2.gz XVGMKVWRMHPGAG-UHFFFAOYSA-N 1 0 338.367 2.907 10 5 EFBERO Cc1ccc(C(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000374054262 151275611 /nfs/dbraw/zinc/27/56/11/151275611.db2.gz OBYXJZYLOHYFTH-UHFFFAOYSA-N 1 0 342.399 2.695 10 5 EFBERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000378186516 152028767 /nfs/dbraw/zinc/02/87/67/152028767.db2.gz DBIHCWKIHIPJKC-UHFFFAOYSA-N 1 0 339.395 2.966 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000246448277 287231514 /nfs/dbraw/zinc/23/15/14/287231514.db2.gz LKRFVFIWLPOCRH-KGLIPLIRSA-N 1 0 344.415 2.543 10 5 EFBERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160101498 225339161 /nfs/dbraw/zinc/33/91/61/225339161.db2.gz FTMNMCXTQRNXOF-JTQLQIEISA-N 1 0 346.309 2.781 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123118025 222219211 /nfs/dbraw/zinc/21/92/11/222219211.db2.gz FTSYRLGCEOWADK-IUODEOHRSA-N 1 0 346.431 2.724 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184775747 265027190 /nfs/dbraw/zinc/02/71/90/265027190.db2.gz GHNKNESLCPMPRE-OAHLLOKOSA-N 1 0 346.358 2.532 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187185332 265091328 /nfs/dbraw/zinc/09/13/28/265091328.db2.gz ZGLKFCSEEBZNBO-DYVFJYSZSA-N 1 0 342.399 2.719 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000194633875 265378932 /nfs/dbraw/zinc/37/89/32/265378932.db2.gz ZTQDWMYAAHPSBU-OLZOCXBDSA-N 1 0 337.445 2.676 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194665079 265379979 /nfs/dbraw/zinc/37/99/79/265379979.db2.gz URYWCRUXWZUASE-SJKOYZFVSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000271814780 266067262 /nfs/dbraw/zinc/06/72/62/266067262.db2.gz ZAOLQWUYEZDBDO-CHWSQXEVSA-N 1 0 336.413 2.885 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000271860919 266080908 /nfs/dbraw/zinc/08/09/08/266080908.db2.gz ZNNMLUJTBFMOIN-NWDGAFQWSA-N 1 0 349.412 2.654 10 5 EFBERO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272264364 266208647 /nfs/dbraw/zinc/20/86/47/266208647.db2.gz AEAJPDIALMRUGZ-BBRMVZONSA-N 1 0 349.431 2.652 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438388 266265337 /nfs/dbraw/zinc/26/53/37/266265337.db2.gz OHUDAYZXSGHHIF-VHSXEESVSA-N 1 0 330.331 2.993 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1CC[NH+](C)CC1 ZINC000273235654 266470496 /nfs/dbraw/zinc/47/04/96/266470496.db2.gz SHFPTKWQAQKCFF-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276924164 267077869 /nfs/dbraw/zinc/07/78/69/267077869.db2.gz NAHRYYBOHQNYIC-GRYCIOLGSA-N 1 0 331.376 2.897 10 5 EFBERO C[C@@H]1C[NH+](CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000277356417 267163019 /nfs/dbraw/zinc/16/30/19/267163019.db2.gz ARIDUMMIOIBQMH-CHWSQXEVSA-N 1 0 347.419 2.772 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552513 267195645 /nfs/dbraw/zinc/19/56/45/267195645.db2.gz SUYYBXNIBGPJTP-KOLCDFICSA-N 1 0 346.330 2.719 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000277908995 267296371 /nfs/dbraw/zinc/29/63/71/267296371.db2.gz DGODJGZNCDOAOK-NSHDSACASA-N 1 0 337.807 2.771 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000278048822 267329011 /nfs/dbraw/zinc/32/90/11/267329011.db2.gz SWDLLKSFFKLBNY-UHFFFAOYSA-N 1 0 339.823 2.970 10 5 EFBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178507942 273040429 /nfs/dbraw/zinc/04/04/29/273040429.db2.gz BNWKPBRXNJURHI-CYBMUJFWSA-N 1 0 336.388 2.637 10 5 EFBERO COC(=O)c1cc(N2CCC[C@H]([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000277135393 273147684 /nfs/dbraw/zinc/14/76/84/273147684.db2.gz JOXDMRKTUFRSQO-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279124426 273179440 /nfs/dbraw/zinc/17/94/40/273179440.db2.gz WDNSUWSQCYICKB-GFCCVEGCSA-N 1 0 325.796 2.771 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC000280825155 273371032 /nfs/dbraw/zinc/37/10/32/273371032.db2.gz SCSTZMGNMJPUIV-CYBMUJFWSA-N 1 0 347.371 2.706 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282604069 273587587 /nfs/dbraw/zinc/58/75/87/273587587.db2.gz DDLQIIXUWTYILI-NVXWUHKLSA-N 1 0 334.416 2.561 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282667714 273597438 /nfs/dbraw/zinc/59/74/38/273597438.db2.gz JFZZPNZISNLMEZ-LCLOVZNUSA-N 1 0 346.427 2.765 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccncc2[N+](=O)[O-])ccc1F ZINC000183621162 273802442 /nfs/dbraw/zinc/80/24/42/273802442.db2.gz KNDYGHXEPQKYCI-UHFFFAOYSA-N 1 0 347.350 2.512 10 5 EFBERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279106 273818410 /nfs/dbraw/zinc/81/84/10/273818410.db2.gz JSJPCFMYECZKGF-XOKHGSTOSA-N 1 0 336.432 2.720 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452094450 274046116 /nfs/dbraw/zinc/04/61/16/274046116.db2.gz WFBVNKBDHXTYQP-UONOGXRCSA-N 1 0 335.404 2.670 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289359 274397304 /nfs/dbraw/zinc/39/73/04/274397304.db2.gz OQEWZWMPCXTWOF-SKNMWMDOSA-N 1 0 343.427 2.916 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182812826 275399962 /nfs/dbraw/zinc/39/99/62/275399962.db2.gz TWCPNIZKBKDFGC-OKACTXMXSA-N 1 0 343.427 2.942 10 5 EFBERO CCC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000359087172 276031732 /nfs/dbraw/zinc/03/17/32/276031732.db2.gz WWLLSFWYJDCWBX-OAHLLOKOSA-N 1 0 336.436 2.544 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000112080403 276323759 /nfs/dbraw/zinc/32/37/59/276323759.db2.gz HPFUXEMKSOZSIK-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH2+]CC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834871 277265194 /nfs/dbraw/zinc/26/51/94/277265194.db2.gz XDVFGGGQDMHBCW-UHFFFAOYSA-N 1 0 328.210 2.793 10 5 EFBERO C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000357867899 278207401 /nfs/dbraw/zinc/20/74/01/278207401.db2.gz XFGSFNWOBAWWRU-ZIAGYGMSSA-N 1 0 348.447 2.511 10 5 EFBERO CC1(C)CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261582254 278342055 /nfs/dbraw/zinc/34/20/55/278342055.db2.gz GQSXKPHVGYNPPM-LBPRGKRZSA-N 1 0 328.210 2.921 10 5 EFBERO C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235673863 278369881 /nfs/dbraw/zinc/36/98/81/278369881.db2.gz QRNRUHAMMUACJK-GXSJLCMTSA-N 1 0 328.210 2.921 10 5 EFBERO C[C@@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000095408319 278416151 /nfs/dbraw/zinc/41/61/51/278416151.db2.gz SKKGQUCOPJQIFZ-AWEZNQCLSA-N 1 0 331.416 2.990 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000374618358 280376645 /nfs/dbraw/zinc/37/66/45/280376645.db2.gz GZZMVOZRKBALEL-LLVKDONJSA-N 1 0 332.326 2.846 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107296581 281259691 /nfs/dbraw/zinc/25/96/91/281259691.db2.gz DWUJQSZXBXNESZ-INIZCTEOSA-N 1 0 332.448 2.510 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000131315187 293193168 /nfs/dbraw/zinc/19/31/68/293193168.db2.gz TXAREVXINMWKQY-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291075283 294267352 /nfs/dbraw/zinc/26/73/52/294267352.db2.gz FXILPQRGVHTILW-INIZCTEOSA-N 1 0 339.367 2.754 10 5 EFBERO C[NH+](C)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCOCC1 ZINC000291830056 294496624 /nfs/dbraw/zinc/49/66/24/294496624.db2.gz GIQFRJQGMYEADE-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO C[NH+]1CCC(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000291882269 294511279 /nfs/dbraw/zinc/51/12/79/294511279.db2.gz IJECMTSZPOJGKL-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO C[NH+]1CCC(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292026964 294555965 /nfs/dbraw/zinc/55/59/65/294555965.db2.gz CKZZENDQYRNHEV-UHFFFAOYSA-N 1 0 325.796 2.596 10 5 EFBERO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292474638 294694926 /nfs/dbraw/zinc/69/49/26/294694926.db2.gz AIFSUBZWCOLTDM-NSHDSACASA-N 1 0 327.812 2.890 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293661216 295022250 /nfs/dbraw/zinc/02/22/50/295022250.db2.gz IQNZSMLQOMRGFD-LLVKDONJSA-N 1 0 346.387 2.961 10 5 EFBERO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294624799 295196179 /nfs/dbraw/zinc/19/61/79/295196179.db2.gz ZAXPQWBWXSLCJN-UHFFFAOYSA-N 1 0 348.447 2.603 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294970442 295252487 /nfs/dbraw/zinc/25/24/87/295252487.db2.gz XKGWWBIZEWCNDD-LLVKDONJSA-N 1 0 325.796 2.628 10 5 EFBERO C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295358638 295306309 /nfs/dbraw/zinc/30/63/09/295306309.db2.gz NVMDFWNZVLNBDJ-YVEFUNNKSA-N 1 0 337.395 2.985 10 5 EFBERO Cc1sc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298284469 310975012 /nfs/dbraw/zinc/97/50/12/310975012.db2.gz BZTBUTUTSAHQBK-CQSZACIVSA-N 1 0 333.413 2.997 10 5 EFBERO C[NH+](C)CCN1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298739300 311019412 /nfs/dbraw/zinc/01/94/12/311019412.db2.gz ROPWYUMFMNEDKT-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC1CC1 ZINC000298805143 311024908 /nfs/dbraw/zinc/02/49/08/311024908.db2.gz PKDHGERMUIBPHH-UHFFFAOYSA-N 1 0 346.412 2.999 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299010892 311041636 /nfs/dbraw/zinc/04/16/36/311041636.db2.gz LTJCBDXKUHRNCX-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000301066969 311116867 /nfs/dbraw/zinc/11/68/67/311116867.db2.gz FFXGNAIXTGTGNY-PXAZEXFGSA-N 1 0 334.420 2.616 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301081523 311118074 /nfs/dbraw/zinc/11/80/74/311118074.db2.gz LBVMTQWAGSVFHL-GFCCVEGCSA-N 1 0 348.403 2.602 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000301477700 311139489 /nfs/dbraw/zinc/13/94/89/311139489.db2.gz PRFFHKAOEKAXGL-CORIIIEPSA-N 1 0 335.379 2.663 10 5 EFBERO COc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301624773 311148283 /nfs/dbraw/zinc/14/82/83/311148283.db2.gz PKSZKTAZLKHYDQ-RYUDHWBXSA-N 1 0 341.383 2.654 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)cc1Cl ZINC000301649757 311150155 /nfs/dbraw/zinc/15/01/55/311150155.db2.gz FQHMAZXLXCUXFS-UHFFFAOYSA-N 1 0 341.795 2.565 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301728108 311155232 /nfs/dbraw/zinc/15/52/32/311155232.db2.gz RATMFQXIHOHMCH-UONOGXRCSA-N 1 0 339.823 2.674 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000302128589 311179165 /nfs/dbraw/zinc/17/91/65/311179165.db2.gz BIMDLRSIBJLVAE-HNNXBMFYSA-N 1 0 347.415 2.836 10 5 EFBERO CC1=CC[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000302146578 311180578 /nfs/dbraw/zinc/18/05/78/311180578.db2.gz JQHNVHOJEAMAAX-UHFFFAOYSA-N 1 0 341.209 2.816 10 5 EFBERO Cc1cc(N(C)CC(=O)NC(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302158919 311181441 /nfs/dbraw/zinc/18/14/41/311181441.db2.gz JHTFQWJSJUBATE-UHFFFAOYSA-N 1 0 330.388 2.802 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000302185507 311183132 /nfs/dbraw/zinc/18/31/32/311183132.db2.gz PFHHCTAOVQFYPY-CABCVRRESA-N 1 0 347.415 2.833 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741968 311198804 /nfs/dbraw/zinc/19/88/04/311198804.db2.gz DBCMEPDQRBLHHI-MRXNPFEDSA-N 1 0 341.415 2.891 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000302786218 311201219 /nfs/dbraw/zinc/20/12/19/311201219.db2.gz VUYXAAWQPADWGG-NSHDSACASA-N 1 0 328.210 2.888 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(CC[NH+](C)C)CC1 ZINC000302804031 311202105 /nfs/dbraw/zinc/20/21/05/311202105.db2.gz DTFNFLPZLOBPJW-UHFFFAOYSA-N 1 0 340.855 2.995 10 5 EFBERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330512794 311320192 /nfs/dbraw/zinc/32/01/92/311320192.db2.gz JWTKCNBVVUSYED-AWEZNQCLSA-N 1 0 333.432 2.968 10 5 EFBERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398569042 311964344 /nfs/dbraw/zinc/96/43/44/311964344.db2.gz KWKKKOWRMMSLJP-CYBMUJFWSA-N 1 0 331.210 2.854 10 5 EFBERO C[C@H]1CC[NH2+]C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923518 312063396 /nfs/dbraw/zinc/06/33/96/312063396.db2.gz HJCZWNORTHGCHA-NHYWBVRUSA-N 1 0 332.429 2.806 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930752 312065768 /nfs/dbraw/zinc/06/57/68/312065768.db2.gz PEYXJLAVNVXJJE-BLLLJJGKSA-N 1 0 345.399 2.951 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000414993545 312073223 /nfs/dbraw/zinc/07/32/23/312073223.db2.gz CMVMVWWFWXFQOR-OAHLLOKOSA-N 1 0 337.326 2.942 10 5 EFBERO COc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000415444126 312140116 /nfs/dbraw/zinc/14/01/16/312140116.db2.gz RJQNTGNPKRHRBJ-UHFFFAOYSA-N 1 0 348.403 2.601 10 5 EFBERO Cc1c(NC(=O)N[C@H](C)[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650637 312162343 /nfs/dbraw/zinc/16/23/43/312162343.db2.gz FXDNEINDEHKMKF-JGVFFNPUSA-N 1 0 345.197 2.523 10 5 EFBERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304594 312206351 /nfs/dbraw/zinc/20/63/51/312206351.db2.gz CESMBUZBTZKGQI-WMLDXEAASA-N 1 0 346.431 2.756 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN1CCO)CCCC2 ZINC000417349427 312212719 /nfs/dbraw/zinc/21/27/19/312212719.db2.gz LDGCRFVXEYVCII-MJGOQNOKSA-N 1 0 347.459 2.799 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423485807 312423485 /nfs/dbraw/zinc/42/34/85/312423485.db2.gz RWWFJUXQHKNTQW-HIFRSBDPSA-N 1 0 325.359 2.503 10 5 EFBERO CC1(C)C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489720 312423914 /nfs/dbraw/zinc/42/39/14/312423914.db2.gz WXWFJFCULHRDMH-UONOGXRCSA-N 1 0 325.359 2.904 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000450884258 312766820 /nfs/dbraw/zinc/76/68/20/312766820.db2.gz ZEEXBSMUPCXNQC-UHFFFAOYSA-N 1 0 333.388 2.810 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)n1 ZINC000456308919 313036867 /nfs/dbraw/zinc/03/68/67/313036867.db2.gz JDRUQAUOAIFJTB-CQSZACIVSA-N 1 0 343.387 2.612 10 5 EFBERO CCC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182010 313130376 /nfs/dbraw/zinc/13/03/76/313130376.db2.gz IONKRDRUZIMCHE-SCOADAFUSA-N 1 0 331.416 2.989 10 5 EFBERO C[NH+](C)CCOC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488044428 313453178 /nfs/dbraw/zinc/45/31/78/313453178.db2.gz BKJRJEWDMQRKKC-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H]2c2ccccc2)cc1 ZINC000515087269 315591770 /nfs/dbraw/zinc/59/17/70/315591770.db2.gz GVDBNZBNKDGZJK-IRXDYDNUSA-N 1 0 346.408 2.514 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516655530 315695290 /nfs/dbraw/zinc/69/52/90/315695290.db2.gz FFRGALGSYHGCGZ-HEHGZKQESA-N 1 0 337.420 2.699 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151453103 533702336 /nfs/dbraw/zinc/70/23/36/533702336.db2.gz BFZLXHKCRBPFIA-XJKSGUPXSA-N 1 0 338.429 2.748 10 5 EFBERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531623963 317292824 /nfs/dbraw/zinc/29/28/24/317292824.db2.gz QUQVKVIXRSUTER-UHFFFAOYSA-N 1 0 342.399 2.760 10 5 EFBERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000531882069 317327815 /nfs/dbraw/zinc/32/78/15/317327815.db2.gz ZRHQFYYYSFQORK-ZDUSSCGKSA-N 1 0 335.404 2.832 10 5 EFBERO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531889303 317329016 /nfs/dbraw/zinc/32/90/16/317329016.db2.gz HJUHBYMGFOTHJD-HNNXBMFYSA-N 1 0 346.431 2.764 10 5 EFBERO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000532141866 317361853 /nfs/dbraw/zinc/36/18/53/317361853.db2.gz XNEJPLGSYQTGJC-CQSZACIVSA-N 1 0 342.399 2.630 10 5 EFBERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532146415 317362341 /nfs/dbraw/zinc/36/23/41/317362341.db2.gz FATZJAWVWHNING-UHFFFAOYSA-N 1 0 326.356 2.838 10 5 EFBERO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397754 317395584 /nfs/dbraw/zinc/39/55/84/317395584.db2.gz KOZPCUOEJPLKQG-UHFFFAOYSA-N 1 0 340.383 2.516 10 5 EFBERO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000540908000 317756246 /nfs/dbraw/zinc/75/62/46/317756246.db2.gz XPBLLBZUUQRYKA-UHFFFAOYSA-N 1 0 336.388 2.769 10 5 EFBERO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000542093594 317803721 /nfs/dbraw/zinc/80/37/21/317803721.db2.gz NIVLQGCSUKFDMP-UHFFFAOYSA-N 1 0 348.447 2.964 10 5 EFBERO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000545202234 317909483 /nfs/dbraw/zinc/90/94/83/317909483.db2.gz RJGNCCFVLMZEJX-UHFFFAOYSA-N 1 0 344.415 2.957 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C2 ZINC000549921251 318184885 /nfs/dbraw/zinc/18/48/85/318184885.db2.gz UYLILOBROWMXTQ-MRXNPFEDSA-N 1 0 330.359 2.696 10 5 EFBERO Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552037730 318239314 /nfs/dbraw/zinc/23/93/14/318239314.db2.gz HAJJLLFOEOQLQT-QGZVFWFLSA-N 1 0 337.383 2.911 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000565045823 318927181 /nfs/dbraw/zinc/92/71/81/318927181.db2.gz CCBOGIYOXDDNMN-RISCZKNCSA-N 1 0 334.376 2.532 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000565045820 318927618 /nfs/dbraw/zinc/92/76/18/318927618.db2.gz CCBOGIYOXDDNMN-BXUZGUMPSA-N 1 0 334.376 2.532 10 5 EFBERO Cc1cnc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000566007105 319022720 /nfs/dbraw/zinc/02/27/20/319022720.db2.gz FZBGHHGVAAQUEU-HNNXBMFYSA-N 1 0 341.415 2.731 10 5 EFBERO CC(C)Cn1ccnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566114749 319034387 /nfs/dbraw/zinc/03/43/87/319034387.db2.gz DQHRLZOOUGACGP-UHFFFAOYSA-N 1 0 345.403 2.566 10 5 EFBERO C[C@](O)(C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000566129072 319037044 /nfs/dbraw/zinc/03/70/44/319037044.db2.gz VFMRYNGPJMKTTR-ZDUSSCGKSA-N 1 0 331.294 2.522 10 5 EFBERO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567691421 319198295 /nfs/dbraw/zinc/19/82/95/319198295.db2.gz XAGAAOWCRNNFIS-ZFWWWQNUSA-N 1 0 348.399 2.847 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000568069301 319243352 /nfs/dbraw/zinc/24/33/52/319243352.db2.gz PMSAVEJRHVOMJQ-AWEZNQCLSA-N 1 0 333.432 2.937 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000568636079 319304060 /nfs/dbraw/zinc/30/40/60/319304060.db2.gz YLFATZXILPVEDE-RLSVRPBNSA-N 1 0 336.432 2.746 10 5 EFBERO CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000570571441 319490090 /nfs/dbraw/zinc/49/00/90/319490090.db2.gz IHLYIFSRJGNJLJ-SFHVURJKSA-N 1 0 339.395 2.856 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)nc2c1 ZINC000571730796 319601103 /nfs/dbraw/zinc/60/11/03/319601103.db2.gz SYTDXTDXGRDAGT-GDBMZVCRSA-N 1 0 345.403 2.526 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)nc2c1 ZINC000571730799 319601235 /nfs/dbraw/zinc/60/12/35/319601235.db2.gz SYTDXTDXGRDAGT-ZBFHGGJFSA-N 1 0 345.403 2.526 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000575040345 319918964 /nfs/dbraw/zinc/91/89/64/319918964.db2.gz UZXIYOJKNGSZEB-VIFPVBQESA-N 1 0 332.200 2.626 10 5 EFBERO [NH3+]CCc1ccccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000576407582 320013245 /nfs/dbraw/zinc/01/32/45/320013245.db2.gz ZRDKPFAWICHMSG-UHFFFAOYSA-N 1 0 341.411 2.849 10 5 EFBERO [NH3+]CC12CCC(CC1)CN2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000578201838 320183183 /nfs/dbraw/zinc/18/31/83/320183183.db2.gz XDBDSMRCDWHKQE-UHFFFAOYSA-N 1 0 346.431 2.517 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000183301094 323328219 /nfs/dbraw/zinc/32/82/19/323328219.db2.gz INBGFUDPARHABL-FCEWJHQRSA-N 1 0 347.459 2.977 10 5 EFBERO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185039390 323380954 /nfs/dbraw/zinc/38/09/54/323380954.db2.gz ZIIFCPRMZHHWCY-TZMCWYRMSA-N 1 0 337.401 2.532 10 5 EFBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185123627 323384231 /nfs/dbraw/zinc/38/42/31/323384231.db2.gz ZODZQWYJGLKTBF-NWDGAFQWSA-N 1 0 337.401 2.532 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296771760 323615553 /nfs/dbraw/zinc/61/55/53/323615553.db2.gz AIYXUTCJSAFTHX-UHFFFAOYSA-N 1 0 347.415 2.740 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000137950093 473213054 /nfs/dbraw/zinc/21/30/54/473213054.db2.gz CQRQVXDMHBOAJB-GFCCVEGCSA-N 1 0 337.445 2.921 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000161179767 473215517 /nfs/dbraw/zinc/21/55/17/473215517.db2.gz BNTVPERQSROUCE-PBHICJAKSA-N 1 0 348.447 2.632 10 5 EFBERO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161264507 473222080 /nfs/dbraw/zinc/22/20/80/473222080.db2.gz QRDFNBPUPOUHDD-OAHLLOKOSA-N 1 0 329.404 2.628 10 5 EFBERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000161265422 473222144 /nfs/dbraw/zinc/22/21/44/473222144.db2.gz JIWGXGRQFRLGGM-HNNXBMFYSA-N 1 0 329.404 2.894 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000184877591 473260876 /nfs/dbraw/zinc/26/08/76/473260876.db2.gz KCLYPPAFFGTAII-MKBNYLNASA-N 1 0 337.395 2.682 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161836914 473269402 /nfs/dbraw/zinc/26/94/02/473269402.db2.gz QDEATMAETSZSDK-AWEZNQCLSA-N 1 0 349.431 2.701 10 5 EFBERO Cc1ccnc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190446507 473277013 /nfs/dbraw/zinc/27/70/13/473277013.db2.gz RZTUJSGSUZOMDT-INIZCTEOSA-N 1 0 341.415 2.652 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190447957 473277124 /nfs/dbraw/zinc/27/71/24/473277124.db2.gz DTBUAHGYXQZCFE-MRXNPFEDSA-N 1 0 341.415 2.652 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290745 /nfs/dbraw/zinc/29/07/45/473290745.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 1 0 340.427 2.944 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177036921 473291148 /nfs/dbraw/zinc/29/11/48/473291148.db2.gz CJKDDEIBKCKGRK-GFCCVEGCSA-N 1 0 337.445 2.873 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177033073 473291573 /nfs/dbraw/zinc/29/15/73/473291573.db2.gz ISBYVYPSUARMDB-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO CCC[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000162248166 473321319 /nfs/dbraw/zinc/32/13/19/473321319.db2.gz QQXOGTQRWBOTIG-HNNXBMFYSA-N 1 0 336.436 2.552 10 5 EFBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000113197901 473364817 /nfs/dbraw/zinc/36/48/17/473364817.db2.gz JCFYWZVXVOLQCM-GFCCVEGCSA-N 1 0 325.434 2.959 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000177496807 473390093 /nfs/dbraw/zinc/39/00/93/473390093.db2.gz REDNAJYMMKOGTM-LSDHHAIUSA-N 1 0 332.404 2.994 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000619798897 479886049 /nfs/dbraw/zinc/88/60/49/479886049.db2.gz JFZZPNZISNLMEZ-ODMBXXLQSA-N 1 0 346.427 2.765 10 5 EFBERO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592153588 478800509 /nfs/dbraw/zinc/80/05/09/478800509.db2.gz HCPIGNRPOBOKPI-GOEBONIOSA-N 1 0 333.432 2.905 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903628 479503677 /nfs/dbraw/zinc/50/36/77/479503677.db2.gz IJRABXIEWKQOMK-IAGOWNOFSA-N 1 0 331.416 2.564 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619867566 479898837 /nfs/dbraw/zinc/89/88/37/479898837.db2.gz WHUZYUIKRQPETN-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO O=[N+]([O-])c1cc(Br)cnc1NCCC1CC[NH2+]CC1 ZINC000039956571 472026476 /nfs/dbraw/zinc/02/64/76/472026476.db2.gz JIDCAIVPLHRYKZ-UHFFFAOYSA-N 1 0 329.198 2.554 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067384736 472027389 /nfs/dbraw/zinc/02/73/89/472027389.db2.gz ODMMEPULXGRAAC-OAHLLOKOSA-N 1 0 329.404 2.795 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000024810962 472068913 /nfs/dbraw/zinc/06/89/13/472068913.db2.gz JORYAXXMHWZAES-UHFFFAOYSA-N 1 0 329.356 2.917 10 5 EFBERO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068234916 472154760 /nfs/dbraw/zinc/15/47/60/472154760.db2.gz MSHLMZBOXDZDPG-UHFFFAOYSA-N 1 0 329.356 2.788 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4cc(O)ccc4c(c32)C1=O ZINC000027550248 472180819 /nfs/dbraw/zinc/18/08/19/472180819.db2.gz FGYONXPSZOCZMC-UHFFFAOYSA-N 1 0 334.375 2.856 10 5 EFBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccc4cnccc4c3nc21 ZINC000027767099 472195422 /nfs/dbraw/zinc/19/54/22/472195422.db2.gz IRJVADJSOOEUAI-UHFFFAOYSA-N 1 0 345.406 2.623 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000069035914 472280099 /nfs/dbraw/zinc/28/00/99/472280099.db2.gz JSZFABAZBWMBJE-GFCCVEGCSA-N 1 0 325.434 2.815 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[S@](=O)c1ccccc1 ZINC000069630786 472386159 /nfs/dbraw/zinc/38/61/59/472386159.db2.gz HKLPYDDZQUFDRU-XMMPIXPASA-N 1 0 348.424 2.891 10 5 EFBERO O=C1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000076759055 472399891 /nfs/dbraw/zinc/39/98/91/472399891.db2.gz ZBUUTVYXBILVCH-LBPRGKRZSA-N 1 0 331.397 2.692 10 5 EFBERO Cc1cc(NCCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083745 472437273 /nfs/dbraw/zinc/43/72/73/472437273.db2.gz VXSYHSWBEUHGIY-UHFFFAOYSA-N 1 0 328.372 2.876 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154569406 472447619 /nfs/dbraw/zinc/44/76/19/472447619.db2.gz RLMBHEMDQHCCAJ-ZDUSSCGKSA-N 1 0 342.399 2.699 10 5 EFBERO C[C@H]1CCC[N@@H+]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000154926516 472487026 /nfs/dbraw/zinc/48/70/26/472487026.db2.gz KXVYGCSSCVWVPK-NSHDSACASA-N 1 0 335.433 2.757 10 5 EFBERO CC[NH2+]CCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000097348984 472490381 /nfs/dbraw/zinc/49/03/81/472490381.db2.gz RYHFSPXMOLZLSJ-UHFFFAOYSA-N 1 0 349.172 2.611 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129059200 472519900 /nfs/dbraw/zinc/51/99/00/472519900.db2.gz GXVHKMZEPFESLN-CABCVRRESA-N 1 0 330.388 2.944 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901322 472540900 /nfs/dbraw/zinc/54/09/00/472540900.db2.gz QVBVILFWDRCIQJ-CXAGYDPISA-N 1 0 342.399 2.918 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155614650 472581074 /nfs/dbraw/zinc/58/10/74/472581074.db2.gz OGNYNRNUALONIR-FZMZJTMJSA-N 1 0 337.445 2.775 10 5 EFBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000130195145 472589321 /nfs/dbraw/zinc/58/93/21/472589321.db2.gz WVRXZSJCJLXJCL-LBPRGKRZSA-N 1 0 330.388 2.538 10 5 EFBERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000090068476 472589936 /nfs/dbraw/zinc/58/99/36/472589936.db2.gz OTPOUSJDBRQOCP-RISCZKNCSA-N 1 0 332.360 2.959 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000090517877 472628252 /nfs/dbraw/zinc/62/82/52/472628252.db2.gz YFWHOOWWXKBLBA-INIZCTEOSA-N 1 0 345.374 2.603 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000046989657 472636925 /nfs/dbraw/zinc/63/69/25/472636925.db2.gz FGCRMLNUKLPDFW-CYBMUJFWSA-N 1 0 334.420 2.683 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047145282 472661543 /nfs/dbraw/zinc/66/15/43/472661543.db2.gz GTVGBHULUYNHEX-ZDUSSCGKSA-N 1 0 346.431 2.773 10 5 EFBERO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCOCC1 ZINC000156122121 472667936 /nfs/dbraw/zinc/66/79/36/472667936.db2.gz ASMBCPXOJXLGOY-UHFFFAOYSA-N 1 0 332.360 2.503 10 5 EFBERO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000047323192 472689046 /nfs/dbraw/zinc/68/90/46/472689046.db2.gz QLYFHSMFPJUYQP-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO Cc1ccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079177 472854171 /nfs/dbraw/zinc/85/41/71/472854171.db2.gz GJKBFJZFILRQTP-OAHLLOKOSA-N 1 0 333.432 2.588 10 5 EFBERO Cc1ccc([C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744579 472964634 /nfs/dbraw/zinc/96/46/34/472964634.db2.gz JOJPUTWVMCTEEG-QGZVFWFLSA-N 1 0 332.356 2.949 10 5 EFBERO CCc1nn(C)c(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1[N+](=O)[O-] ZINC000092829511 472996152 /nfs/dbraw/zinc/99/61/52/472996152.db2.gz XYGSZEZKNKVPIH-ZDUSSCGKSA-N 1 0 344.419 2.533 10 5 EFBERO COc1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000108088418 473000797 /nfs/dbraw/zinc/00/07/97/473000797.db2.gz MQMACDRHCXUVHG-CWRNSKLLSA-N 1 0 349.431 2.905 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122914620 473073382 /nfs/dbraw/zinc/07/33/82/473073382.db2.gz PPGODZIZBPHTOG-OCCSQVGLSA-N 1 0 334.420 2.581 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000080940776 473107676 /nfs/dbraw/zinc/10/76/76/473107676.db2.gz DWCCKZFGDSHPJU-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000052555165 473124441 /nfs/dbraw/zinc/12/44/41/473124441.db2.gz HFPWSSAIYGWTGK-INIZCTEOSA-N 1 0 327.384 2.936 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000160464091 473128662 /nfs/dbraw/zinc/12/86/62/473128662.db2.gz AZEGPVOCSCSCTD-QGZVFWFLSA-N 1 0 333.432 2.764 10 5 EFBERO O=C(CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC1 ZINC000075126865 473133647 /nfs/dbraw/zinc/13/36/47/473133647.db2.gz JDGWJPJIHIWIIY-UHFFFAOYSA-N 1 0 343.383 2.957 10 5 EFBERO O=[N+]([O-])c1ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000081033778 473135088 /nfs/dbraw/zinc/13/50/88/473135088.db2.gz OWWBIJCLESOSST-UHFFFAOYSA-N 1 0 334.420 2.684 10 5 EFBERO CCc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000081057396 473138377 /nfs/dbraw/zinc/13/83/77/473138377.db2.gz RBSDDPLNRRUGLR-CABCVRRESA-N 1 0 332.404 2.858 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123464487 473143476 /nfs/dbraw/zinc/14/34/76/473143476.db2.gz APKLWHRINAJVCI-MFKMUULPSA-N 1 0 325.796 2.803 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177507763 473392379 /nfs/dbraw/zinc/39/23/79/473392379.db2.gz VVYHOZTVBZWXTM-ZIAGYGMSSA-N 1 0 332.404 2.994 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000185359389 473403611 /nfs/dbraw/zinc/40/36/11/473403611.db2.gz LJZCFIIFRARBAD-WYMLVPIESA-N 1 0 329.400 2.552 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177708834 473421874 /nfs/dbraw/zinc/42/18/74/473421874.db2.gz FDVVUPDDAGAGQV-HNNXBMFYSA-N 1 0 348.447 2.648 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177708817 473422458 /nfs/dbraw/zinc/42/24/58/473422458.db2.gz FDVVUPDDAGAGQV-OAHLLOKOSA-N 1 0 348.447 2.648 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151453242 473460052 /nfs/dbraw/zinc/46/00/52/473460052.db2.gz BFZLXHKCRBPFIA-BBRMVZONSA-N 1 0 338.429 2.748 10 5 EFBERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000191106102 473480037 /nfs/dbraw/zinc/48/00/37/473480037.db2.gz WWWUVOGGDDSNGC-HNONPPJISA-N 1 0 334.416 2.571 10 5 EFBERO CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165733482 473515719 /nfs/dbraw/zinc/51/57/19/473515719.db2.gz SPQQDUXSBHVKIE-JTQLQIEISA-N 1 0 343.225 2.957 10 5 EFBERO Cc1c(Br)c(N(C)CC[C@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000165841404 473516964 /nfs/dbraw/zinc/51/69/64/473516964.db2.gz IKSLMDGMEJUJJT-JTQLQIEISA-N 1 0 345.241 2.870 10 5 EFBERO COc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758783 473543367 /nfs/dbraw/zinc/54/33/67/473543367.db2.gz QMBCOQDBIZJDNP-GOSISDBHSA-N 1 0 344.367 2.883 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000152328095 473549070 /nfs/dbraw/zinc/54/90/70/473549070.db2.gz XNYQXIVSNAOKST-OAHLLOKOSA-N 1 0 334.420 2.514 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127046471 473570907 /nfs/dbraw/zinc/57/09/07/473570907.db2.gz MKAJZFBCXXAEDU-ZDUSSCGKSA-N 1 0 342.399 2.634 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127316982 473599638 /nfs/dbraw/zinc/59/96/38/473599638.db2.gz GERVRNQSVFOTRF-AWEZNQCLSA-N 1 0 347.415 2.551 10 5 EFBERO CCOCC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000116278053 473645516 /nfs/dbraw/zinc/64/55/16/473645516.db2.gz KFTPNEROSYLHPW-ZDUSSCGKSA-N 1 0 341.839 2.791 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000154061536 473664058 /nfs/dbraw/zinc/66/40/58/473664058.db2.gz JONUWZSOYHIITG-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO [NH3+]Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000186473631 473679236 /nfs/dbraw/zinc/67/92/36/473679236.db2.gz VVOSPYNVBGUOCO-UHFFFAOYSA-N 1 0 325.368 2.858 10 5 EFBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186488177 473680641 /nfs/dbraw/zinc/68/06/41/473680641.db2.gz UERKFSDGMNDZKY-OAHLLOKOSA-N 1 0 346.431 2.530 10 5 EFBERO C/C(=C/c1ccccc1)C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192684720 473706764 /nfs/dbraw/zinc/70/67/64/473706764.db2.gz LSTAWHMHTDVCGO-AXMFATFGSA-N 1 0 342.395 2.682 10 5 EFBERO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000287610049 473711209 /nfs/dbraw/zinc/71/12/09/473711209.db2.gz GACXKZHOZJIELC-ZDUSSCGKSA-N 1 0 348.403 2.514 10 5 EFBERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281479493 473734288 /nfs/dbraw/zinc/73/42/88/473734288.db2.gz SFNUTDOUYZBJEL-IAGOWNOFSA-N 1 0 330.388 2.589 10 5 EFBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281495159 473740080 /nfs/dbraw/zinc/74/00/80/473740080.db2.gz UBPZKKHIEYDGRP-WHUJPVCOSA-N 1 0 348.443 2.890 10 5 EFBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000263314626 473746877 /nfs/dbraw/zinc/74/68/77/473746877.db2.gz ZGZWDSCLSKXSQW-CQSZACIVSA-N 1 0 345.403 2.518 10 5 EFBERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000263314620 473747377 /nfs/dbraw/zinc/74/73/77/473747377.db2.gz ZGZWDSCLSKXSQW-AWEZNQCLSA-N 1 0 345.403 2.518 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180157499 473812945 /nfs/dbraw/zinc/81/29/45/473812945.db2.gz KOMWSVIVRMOUJY-ZFWWWQNUSA-N 1 0 331.397 2.832 10 5 EFBERO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000187262300 473848196 /nfs/dbraw/zinc/84/81/96/473848196.db2.gz HTLNIWMOERPJMV-OAHLLOKOSA-N 1 0 327.388 2.688 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000246558350 473900442 /nfs/dbraw/zinc/90/04/42/473900442.db2.gz LRVSDNNCTDAHRQ-OLZOCXBDSA-N 1 0 337.807 2.947 10 5 EFBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246716983 473940865 /nfs/dbraw/zinc/94/08/65/473940865.db2.gz XJDIDEVFIJGYAJ-FZMZJTMJSA-N 1 0 337.807 2.805 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288459987 473948901 /nfs/dbraw/zinc/94/89/01/473948901.db2.gz DTSBGIVNJUDVRW-ZBFHGGJFSA-N 1 0 334.759 2.832 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270041329 473963927 /nfs/dbraw/zinc/96/39/27/473963927.db2.gz APJCNUKOBOYSIW-OAHLLOKOSA-N 1 0 331.416 2.707 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246844001 473981489 /nfs/dbraw/zinc/98/14/89/473981489.db2.gz FDHLZTJTCKRDQY-IUODEOHRSA-N 1 0 337.445 2.532 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246905623 473999756 /nfs/dbraw/zinc/99/97/56/473999756.db2.gz HVQLIONIBKLLMG-AAEUAGOBSA-N 1 0 337.807 2.947 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000246945581 474012171 /nfs/dbraw/zinc/01/21/71/474012171.db2.gz LEUXXGGPDVAYEI-KGLIPLIRSA-N 1 0 337.807 2.947 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247041994 474045694 /nfs/dbraw/zinc/04/56/94/474045694.db2.gz OACJUTGXBPTWQA-HOCLYGCPSA-N 1 0 332.356 2.765 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000247157953 474076890 /nfs/dbraw/zinc/07/68/90/474076890.db2.gz NXDXQGXDHQDOMM-QWHCGFSZSA-N 1 0 337.445 2.533 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275164503 474090973 /nfs/dbraw/zinc/09/09/73/474090973.db2.gz JRTBAZHBWIRIMP-DTWKUNHWSA-N 1 0 337.767 2.649 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779400 474095244 /nfs/dbraw/zinc/09/52/44/474095244.db2.gz QNEKLPRETOXPBT-PBHICJAKSA-N 1 0 348.447 2.504 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288943635 474097528 /nfs/dbraw/zinc/09/75/28/474097528.db2.gz RTDJMNTWHOWLTG-INIZCTEOSA-N 1 0 343.431 2.830 10 5 EFBERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869576 474109659 /nfs/dbraw/zinc/10/96/59/474109659.db2.gz LNACADRCSKEFNX-UKRRQHHQSA-N 1 0 330.388 2.678 10 5 EFBERO Cc1c(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877661 474111556 /nfs/dbraw/zinc/11/15/56/474111556.db2.gz SHBQCOXNVCCDTE-GOSISDBHSA-N 1 0 346.475 2.505 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174884576 474112822 /nfs/dbraw/zinc/11/28/22/474112822.db2.gz NVFAKEDLWBSHKP-APWZRJJASA-N 1 0 346.475 2.758 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188506113 474113740 /nfs/dbraw/zinc/11/37/40/474113740.db2.gz QISSFRRUYKOQCL-HUUCEWRRSA-N 1 0 347.415 2.611 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000288997829 474115589 /nfs/dbraw/zinc/11/55/89/474115589.db2.gz WGQVTCPYQSWZGP-UHFFFAOYSA-N 1 0 335.383 2.932 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000174924471 474118909 /nfs/dbraw/zinc/11/89/09/474118909.db2.gz LKRFVFIWLPOCRH-ZIAGYGMSSA-N 1 0 344.415 2.543 10 5 EFBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1Cl ZINC000188667135 474159857 /nfs/dbraw/zinc/15/98/57/474159857.db2.gz KKEGIHBAODTCCS-UHFFFAOYSA-N 1 0 331.759 2.781 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188671061 474162592 /nfs/dbraw/zinc/16/25/92/474162592.db2.gz LVUSELQKFJYECM-UHFFFAOYSA-N 1 0 345.786 2.710 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000225436900 474211988 /nfs/dbraw/zinc/21/19/88/474211988.db2.gz RGDYEDQJTONCQH-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO C[NH+](C)[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182625394 474221125 /nfs/dbraw/zinc/22/11/25/474221125.db2.gz RQOFZQWQBGUCQA-NSHDSACASA-N 1 0 343.836 2.503 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247994778 474241979 /nfs/dbraw/zinc/24/19/79/474241979.db2.gz JURNTKDXBWKOMS-MAUKXSAKSA-N 1 0 334.416 2.991 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248043187 474250211 /nfs/dbraw/zinc/25/02/11/474250211.db2.gz MKHXACAEXBAECP-IAGOWNOFSA-N 1 0 325.368 2.770 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000248389872 474304292 /nfs/dbraw/zinc/30/42/92/474304292.db2.gz HHIXJMBJJARPKS-IIAWOOMASA-N 1 0 333.432 2.715 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000175951189 474347867 /nfs/dbraw/zinc/34/78/67/474347867.db2.gz WJUWSLXXBCBVBE-UHFFFAOYSA-N 1 0 348.447 2.858 10 5 EFBERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183224065 474353434 /nfs/dbraw/zinc/35/34/34/474353434.db2.gz GGLNLFWYYGSWQF-BHDSKKPTSA-N 1 0 341.795 2.732 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000275900708 474356416 /nfs/dbraw/zinc/35/64/16/474356416.db2.gz UCKFPOXRVVZFHU-OLZOCXBDSA-N 1 0 337.807 2.865 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176083339 474379223 /nfs/dbraw/zinc/37/92/23/474379223.db2.gz RPFFXUAPYDSVPC-MRXNPFEDSA-N 1 0 334.420 2.829 10 5 EFBERO Cc1cc(C)cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000183465145 474381978 /nfs/dbraw/zinc/38/19/78/474381978.db2.gz ZLOMXLIETQFFPG-INIZCTEOSA-N 1 0 341.411 2.863 10 5 EFBERO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927700 474389324 /nfs/dbraw/zinc/38/93/24/474389324.db2.gz CVBNEVDPDUPCIG-IAOVAPTHSA-N 1 0 334.416 2.908 10 5 EFBERO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927701 474389406 /nfs/dbraw/zinc/38/94/06/474389406.db2.gz CVBNEVDPDUPCIG-KBRIMQKVSA-N 1 0 334.416 2.908 10 5 EFBERO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927702 474390391 /nfs/dbraw/zinc/39/03/91/474390391.db2.gz CVBNEVDPDUPCIG-RRQGHBQHSA-N 1 0 334.416 2.908 10 5 EFBERO CN(C)c1cc[nH+]cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000183693335 474413734 /nfs/dbraw/zinc/41/37/34/474413734.db2.gz SALISPVBIMZSDX-UHFFFAOYSA-N 1 0 342.399 2.809 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)F ZINC000271173820 474420221 /nfs/dbraw/zinc/42/02/21/474420221.db2.gz UTQHFZUKEADJRC-CABZTGNLSA-N 1 0 338.351 2.978 10 5 EFBERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742854 474422874 /nfs/dbraw/zinc/42/28/74/474422874.db2.gz AKROKAOSKGUWTJ-WMZOPIPTSA-N 1 0 333.432 2.673 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183773263 474427711 /nfs/dbraw/zinc/42/77/11/474427711.db2.gz PTNJSVWGAXKZBO-UHFFFAOYSA-N 1 0 342.399 2.581 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000183825179 474435341 /nfs/dbraw/zinc/43/53/41/474435341.db2.gz OSSKIJZYIUGIKL-UHFFFAOYSA-N 1 0 342.399 2.581 10 5 EFBERO COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000248829930 474447459 /nfs/dbraw/zinc/44/74/59/474447459.db2.gz BBBOXZBUHOUHBT-KGLIPLIRSA-N 1 0 347.415 2.691 10 5 EFBERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1C ZINC000189714398 474468410 /nfs/dbraw/zinc/46/84/10/474468410.db2.gz WAZAMCLUFPZENS-OAHLLOKOSA-N 1 0 349.431 2.762 10 5 EFBERO Cc1sc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000276267432 474474895 /nfs/dbraw/zinc/47/48/95/474474895.db2.gz PNAZQOAUHZAXPZ-UHFFFAOYSA-N 1 0 347.440 2.999 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249138023 474536623 /nfs/dbraw/zinc/53/66/23/474536623.db2.gz VTQDDVNPIHWRLH-KGLIPLIRSA-N 1 0 332.404 2.912 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000249261302 474549846 /nfs/dbraw/zinc/54/98/46/474549846.db2.gz HSBXFNWFDPVRGM-OCCSQVGLSA-N 1 0 348.403 2.694 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033816 474555561 /nfs/dbraw/zinc/55/55/61/474555561.db2.gz JLWUKNBIHUUPQP-MEDUHNTESA-N 1 0 331.372 2.570 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000190342391 474581259 /nfs/dbraw/zinc/58/12/59/474581259.db2.gz LDXJHNYAHYKZFB-UHFFFAOYSA-N 1 0 335.385 2.560 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000190342310 474581369 /nfs/dbraw/zinc/58/13/69/474581369.db2.gz NOPDDQQYNUIYNY-UHFFFAOYSA-N 1 0 335.385 2.560 10 5 EFBERO C[NH+]1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277691456 474592515 /nfs/dbraw/zinc/59/25/15/474592515.db2.gz CBUJJHODDZDORY-UHFFFAOYSA-N 1 0 335.407 2.918 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249654830 474602094 /nfs/dbraw/zinc/60/20/94/474602094.db2.gz VAPDSYRMUPCGBL-WFASDCNBSA-N 1 0 349.431 2.714 10 5 EFBERO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000267283495 474637697 /nfs/dbraw/zinc/63/76/97/474637697.db2.gz VUEJAQZXMBNULD-NXEZZACHSA-N 1 0 343.225 2.671 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291735484 474662161 /nfs/dbraw/zinc/66/21/61/474662161.db2.gz YEXQJSXEDWCYTH-CYBMUJFWSA-N 1 0 336.436 2.859 10 5 EFBERO Cc1cc(NCc2noc(C3CC3)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340793147 474671552 /nfs/dbraw/zinc/67/15/52/474671552.db2.gz ZSZPQUHAUUHGAH-UHFFFAOYSA-N 1 0 325.328 2.746 10 5 EFBERO CC(C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCOC1 ZINC000291771308 474679209 /nfs/dbraw/zinc/67/92/09/474679209.db2.gz LSGXGBQDEHWCPQ-AWEZNQCLSA-N 1 0 332.360 2.644 10 5 EFBERO COc1ccc(C[N@H+](C)[C@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000252512620 474691376 /nfs/dbraw/zinc/69/13/76/474691376.db2.gz TVOMOHXIRDWKOQ-FUHWJXTLSA-N 1 0 328.368 2.694 10 5 EFBERO COc1cccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000340846559 474712319 /nfs/dbraw/zinc/71/23/19/474712319.db2.gz TUCYKMZQCNBXHR-UHFFFAOYSA-N 1 0 338.367 2.932 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000292941144 474725908 /nfs/dbraw/zinc/72/59/08/474725908.db2.gz AYKXIBYJXNZRQO-UHFFFAOYSA-N 1 0 329.322 2.894 10 5 EFBERO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000305301810 474729297 /nfs/dbraw/zinc/72/92/97/474729297.db2.gz JSSXSMRCUQWFMJ-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000344419903 474737762 /nfs/dbraw/zinc/73/77/62/474737762.db2.gz OEUSXRQZYRKZSD-UHFFFAOYSA-N 1 0 342.399 2.559 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278683423 474775529 /nfs/dbraw/zinc/77/55/29/474775529.db2.gz RUIVMLWRRYHQIO-MRXNPFEDSA-N 1 0 343.387 2.792 10 5 EFBERO COc1cc(CN2CCc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305856375 474799303 /nfs/dbraw/zinc/79/93/03/474799303.db2.gz WOPJRQZUUVUEPY-QGZVFWFLSA-N 1 0 328.368 2.695 10 5 EFBERO CC(C)C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000268170081 474840957 /nfs/dbraw/zinc/84/09/57/474840957.db2.gz SFKCINVCBNAZRA-CQSZACIVSA-N 1 0 337.395 2.974 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000278818159 474851715 /nfs/dbraw/zinc/85/17/15/474851715.db2.gz UJNAOMJPERJOAM-UHFFFAOYSA-N 1 0 325.796 2.723 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255615387 474881287 /nfs/dbraw/zinc/88/12/87/474881287.db2.gz AZWDLXKMQPSZLK-VONQVCDISA-N 1 0 329.400 2.693 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000278895051 474899081 /nfs/dbraw/zinc/89/90/81/474899081.db2.gz ZTQZRCAXWSJKFR-LLVKDONJSA-N 1 0 337.807 2.937 10 5 EFBERO COc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341035214 474902032 /nfs/dbraw/zinc/90/20/32/474902032.db2.gz IKGQHQNATQWCRO-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000273474143 474918326 /nfs/dbraw/zinc/91/83/26/474918326.db2.gz PAZUTYSOGSPSIG-XHDPSFHLSA-N 1 0 338.383 2.928 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860529 480134257 /nfs/dbraw/zinc/13/42/57/480134257.db2.gz OBLBWENPPKFRGC-JTQLQIEISA-N 1 0 346.309 2.829 10 5 EFBERO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341069102 474938815 /nfs/dbraw/zinc/93/88/15/474938815.db2.gz NUCVPRBAPLZZFX-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341071894 474942525 /nfs/dbraw/zinc/94/25/25/474942525.db2.gz SDNVSSGLGYBGQJ-OKILXGFUSA-N 1 0 349.431 2.986 10 5 EFBERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339149540 474977563 /nfs/dbraw/zinc/97/75/63/474977563.db2.gz SBKLGVZYASPWDD-IINYFYTJSA-N 1 0 348.321 2.585 10 5 EFBERO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc2c1OCCO2 ZINC000327681511 475023320 /nfs/dbraw/zinc/02/33/20/475023320.db2.gz OCQHRCVWDQAPCB-UHFFFAOYSA-N 1 0 344.367 2.973 10 5 EFBERO Cc1c(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000328240469 475025874 /nfs/dbraw/zinc/02/58/74/475025874.db2.gz BDROLTTWWJHVOS-ZDUSSCGKSA-N 1 0 325.368 2.681 10 5 EFBERO C[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552573 475137323 /nfs/dbraw/zinc/13/73/23/475137323.db2.gz HCLPDAWTRRDNSW-KSSFIOAISA-N 1 0 339.395 2.874 10 5 EFBERO COC(=O)c1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC000292699883 475159151 /nfs/dbraw/zinc/15/91/51/475159151.db2.gz GAHRUNNXHCMNOY-GOSISDBHSA-N 1 0 347.415 2.612 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000347354071 475260031 /nfs/dbraw/zinc/26/00/31/475260031.db2.gz GECHJGJEGCRUBI-BAILOTOSSA-N 1 0 345.443 2.795 10 5 EFBERO COc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541314 475396146 /nfs/dbraw/zinc/39/61/46/475396146.db2.gz WIWIQBDQCQFUCC-INIZCTEOSA-N 1 0 333.432 2.767 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358101696 475400935 /nfs/dbraw/zinc/40/09/35/475400935.db2.gz YVQTUBMSAJIMLE-LBPRGKRZSA-N 1 0 337.395 2.612 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000358191012 475476178 /nfs/dbraw/zinc/47/61/78/475476178.db2.gz NNYWFLIBJKBBMH-CQSZACIVSA-N 1 0 332.404 2.607 10 5 EFBERO C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000352671141 475515311 /nfs/dbraw/zinc/51/53/11/475515311.db2.gz LFOPXWLJTUZLHR-ZDUSSCGKSA-N 1 0 343.383 2.551 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354923743 475524759 /nfs/dbraw/zinc/52/47/59/475524759.db2.gz NOBIXDGSSPPSFO-ZDUSSCGKSA-N 1 0 336.388 2.911 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCCC[C@@H]3CCO)n2)c1 ZINC000342067282 475544301 /nfs/dbraw/zinc/54/43/01/475544301.db2.gz RTSBDMGIJXCWJS-CQSZACIVSA-N 1 0 346.387 2.772 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000352776295 475612420 /nfs/dbraw/zinc/61/24/20/475612420.db2.gz BPAIOZUMTDNHCQ-BBRMVZONSA-N 1 0 330.388 2.883 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297152484 475630826 /nfs/dbraw/zinc/63/08/26/475630826.db2.gz VOJACVNIRLFVNK-YHWZYXNKSA-N 1 0 337.807 2.912 10 5 EFBERO COCC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353075372 475686979 /nfs/dbraw/zinc/68/69/79/475686979.db2.gz XABJUGIEXLZJEE-CQSZACIVSA-N 1 0 334.372 2.996 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355168113 475713826 /nfs/dbraw/zinc/71/38/26/475713826.db2.gz SGIZMDYILWQUAI-JTQLQIEISA-N 1 0 346.309 2.829 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000355213846 475749506 /nfs/dbraw/zinc/74/95/06/475749506.db2.gz MIUMRQVEEHTTIC-UHFFFAOYSA-N 1 0 346.431 2.753 10 5 EFBERO COc1ccc(F)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000353235630 475792881 /nfs/dbraw/zinc/79/28/81/475792881.db2.gz RJKYIKUXVZSSKA-UHFFFAOYSA-N 1 0 334.351 2.776 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cncn2)cc1 ZINC000348668801 475807375 /nfs/dbraw/zinc/80/73/75/475807375.db2.gz FKYOETPRCUGYJT-UHFFFAOYSA-N 1 0 337.383 2.850 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340166505 475817817 /nfs/dbraw/zinc/81/78/17/475817817.db2.gz FUJDOSZAWCCCDN-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707208 475827396 /nfs/dbraw/zinc/82/73/96/475827396.db2.gz RJEQRHKYOCFJND-CABCVRRESA-N 1 0 348.447 2.504 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355370720 475877191 /nfs/dbraw/zinc/87/71/91/475877191.db2.gz CLDBPVNJSHJYFN-UHFFFAOYSA-N 1 0 349.431 2.797 10 5 EFBERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338425094 475891533 /nfs/dbraw/zinc/89/15/33/475891533.db2.gz PSYGSQSCURXOOL-CQSZACIVSA-N 1 0 334.420 2.683 10 5 EFBERO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297877245 475912559 /nfs/dbraw/zinc/91/25/59/475912559.db2.gz RFSIYWMZCBKUON-NXEZZACHSA-N 1 0 345.321 2.778 10 5 EFBERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353578891 476095307 /nfs/dbraw/zinc/09/53/07/476095307.db2.gz VEGGOBWCBSBPOF-MRXNPFEDSA-N 1 0 331.416 2.738 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000298461265 476101222 /nfs/dbraw/zinc/10/12/22/476101222.db2.gz RPYRVODWSOCSOF-NSHDSACASA-N 1 0 325.796 2.723 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CC(F)F)CC1CCC1 ZINC000343777259 476112029 /nfs/dbraw/zinc/11/20/29/476112029.db2.gz XWOAOLPKSIHSSU-CYBMUJFWSA-N 1 0 344.358 2.702 10 5 EFBERO C[N@H+](CCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000336677492 476123715 /nfs/dbraw/zinc/12/37/15/476123715.db2.gz ZJSOHOBTJCJPGW-UHFFFAOYSA-N 1 0 339.399 2.827 10 5 EFBERO Cc1ccncc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340600804 476141922 /nfs/dbraw/zinc/14/19/22/476141922.db2.gz OTYQHDKGXSTWQX-UHFFFAOYSA-N 1 0 326.400 2.663 10 5 EFBERO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300489453 476155180 /nfs/dbraw/zinc/15/51/80/476155180.db2.gz XRGZBDPZYQALGW-ZJUUUORDSA-N 1 0 328.210 2.839 10 5 EFBERO COc1c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cccc1[N+](=O)[O-] ZINC000347208188 476172094 /nfs/dbraw/zinc/17/20/94/476172094.db2.gz XFVLGHBHBNSWJP-UHFFFAOYSA-N 1 0 337.295 2.968 10 5 EFBERO COc1ccccc1[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000357048290 476188148 /nfs/dbraw/zinc/18/81/48/476188148.db2.gz MQXPZHWBPHADIK-MRXNPFEDSA-N 1 0 342.399 2.669 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000347229012 476188245 /nfs/dbraw/zinc/18/82/45/476188245.db2.gz ZYRXIICUSNBBRF-INIZCTEOSA-N 1 0 343.383 2.790 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357105106 476235153 /nfs/dbraw/zinc/23/51/53/476235153.db2.gz XDXVDOAQHSMZLU-KBXCAEBGSA-N 1 0 347.415 2.814 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362447008 476257299 /nfs/dbraw/zinc/25/72/99/476257299.db2.gz JVEBWDFQAHYREY-PBHICJAKSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ncsc2c1 ZINC000362573479 476313951 /nfs/dbraw/zinc/31/39/51/476313951.db2.gz SYKOYSSAZARPEX-LLVKDONJSA-N 1 0 344.396 2.717 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000357301933 476322168 /nfs/dbraw/zinc/32/21/68/476322168.db2.gz IMMGUXFMRPIETE-UHFFFAOYSA-N 1 0 339.823 2.970 10 5 EFBERO O=[N+]([O-])c1ccccc1OCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351085303 476334837 /nfs/dbraw/zinc/33/48/37/476334837.db2.gz KRZPXLZUXPSYOV-UHFFFAOYSA-N 1 0 337.295 2.872 10 5 EFBERO CC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353976521 476343745 /nfs/dbraw/zinc/34/37/45/476343745.db2.gz XYYMHPPTAPFTIN-BXUZGUMPSA-N 1 0 326.418 2.601 10 5 EFBERO CNC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000360766879 476374402 /nfs/dbraw/zinc/37/44/02/476374402.db2.gz SWAYLVIOCFHYFR-KRWDZBQOSA-N 1 0 327.384 2.870 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360771667 476377758 /nfs/dbraw/zinc/37/77/58/476377758.db2.gz IVUMLZZWCUHSBI-OAHLLOKOSA-N 1 0 343.383 2.570 10 5 EFBERO CSc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000362840347 476434915 /nfs/dbraw/zinc/43/49/15/476434915.db2.gz KJVWIUCVDPNFSZ-LBPRGKRZSA-N 1 0 337.445 2.921 10 5 EFBERO C[NH+]1CCC(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000362845241 476438387 /nfs/dbraw/zinc/43/83/87/476438387.db2.gz YFDZHIQTKQKFSH-KRWDZBQOSA-N 1 0 349.456 2.901 10 5 EFBERO Cc1c(C[NH+]2CCC(Oc3cnccn3)CC2)cccc1[N+](=O)[O-] ZINC000369669476 476469637 /nfs/dbraw/zinc/46/96/37/476469637.db2.gz ANGISTGVRFNKFW-UHFFFAOYSA-N 1 0 328.372 2.737 10 5 EFBERO CC(C)n1c(Sc2ccncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000360913354 476472212 /nfs/dbraw/zinc/47/22/12/476472212.db2.gz JLDYTFHTVNIKGP-UHFFFAOYSA-N 1 0 348.432 2.780 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369694008 476480555 /nfs/dbraw/zinc/48/05/55/476480555.db2.gz PFJHRRKTANNFAR-UHFFFAOYSA-N 1 0 328.372 2.737 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000357775889 476594334 /nfs/dbraw/zinc/59/43/34/476594334.db2.gz RQZDNIRTHSKHDQ-GFCCVEGCSA-N 1 0 338.408 2.617 10 5 EFBERO CO[C@@H](C)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354366083 476614088 /nfs/dbraw/zinc/61/40/88/476614088.db2.gz FZNFTNKWNDNVCZ-ZDUSSCGKSA-N 1 0 337.420 2.977 10 5 EFBERO O=[N+]([O-])c1cnccc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000354422442 476652456 /nfs/dbraw/zinc/65/24/56/476652456.db2.gz DUFWLZUDHRAXDJ-UHFFFAOYSA-N 1 0 330.413 2.704 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000354424301 476653775 /nfs/dbraw/zinc/65/37/75/476653775.db2.gz IYDKRBNVRNMNTP-JQWIXIFHSA-N 1 0 325.434 2.910 10 5 EFBERO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000354431156 476657689 /nfs/dbraw/zinc/65/76/89/476657689.db2.gz LVCHQGZSYILSOT-LLVKDONJSA-N 1 0 343.811 2.932 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354438035 476661221 /nfs/dbraw/zinc/66/12/21/476661221.db2.gz UKLXGFXENBHLNR-UKRRQHHQSA-N 1 0 349.431 2.938 10 5 EFBERO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000354447069 476667844 /nfs/dbraw/zinc/66/78/44/476667844.db2.gz GHLJVYQHDRQAEE-NSHDSACASA-N 1 0 343.811 2.932 10 5 EFBERO CO[C@@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000354465339 476676186 /nfs/dbraw/zinc/67/61/86/476676186.db2.gz VLILMDNDQGBBOQ-AWEZNQCLSA-N 1 0 337.420 2.977 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(CCOC4)C3)o2)cc1 ZINC000451898313 476708373 /nfs/dbraw/zinc/70/83/73/476708373.db2.gz FNIMEVNFLSOFKA-KRWDZBQOSA-N 1 0 344.371 2.647 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451905840 476714975 /nfs/dbraw/zinc/71/49/75/476714975.db2.gz SLSQBQZLMYPDAO-KDOFPFPSSA-N 1 0 347.415 2.733 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000379681062 476730274 /nfs/dbraw/zinc/73/02/74/476730274.db2.gz OVNZMGBHLBPYPY-AWEZNQCLSA-N 1 0 332.429 2.940 10 5 EFBERO C[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000370396853 476790021 /nfs/dbraw/zinc/79/00/21/476790021.db2.gz RUAICZORYGGDEN-IBGZPJMESA-N 1 0 339.395 2.857 10 5 EFBERO C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC000390650215 476795587 /nfs/dbraw/zinc/79/55/87/476795587.db2.gz VVEGJXDIICCDNR-ZDUSSCGKSA-N 1 0 339.399 2.825 10 5 EFBERO Nc1nccc([C@@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000365989753 476799652 /nfs/dbraw/zinc/79/96/52/476799652.db2.gz ONXKNGDYYAQOAE-GFCCVEGCSA-N 1 0 347.806 2.830 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452075729 476808134 /nfs/dbraw/zinc/80/81/34/476808134.db2.gz AYPSTOIBZCJRFS-LSDHHAIUSA-N 1 0 349.431 2.979 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452076943 476808571 /nfs/dbraw/zinc/80/85/71/476808571.db2.gz CBOTWSCVWJVGBB-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055055 476814127 /nfs/dbraw/zinc/81/41/27/476814127.db2.gz SGFAZXHDCUUSEG-GASCZTMLSA-N 1 0 333.432 2.907 10 5 EFBERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000452090289 476815465 /nfs/dbraw/zinc/81/54/65/476815465.db2.gz QOARVPPXHVDNOX-GOEBONIOSA-N 1 0 330.384 2.994 10 5 EFBERO COC[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452090357 476817606 /nfs/dbraw/zinc/81/76/06/476817606.db2.gz RZPKTOKWMOUNJA-AWEZNQCLSA-N 1 0 338.404 2.731 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375473485 476856778 /nfs/dbraw/zinc/85/67/78/476856778.db2.gz WKIZPIVQSGTLIF-LBPRGKRZSA-N 1 0 344.371 2.853 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000370701899 476941231 /nfs/dbraw/zinc/94/12/31/476941231.db2.gz PUNABWJYZAPWEJ-AWEZNQCLSA-N 1 0 335.404 2.550 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423237000 476972887 /nfs/dbraw/zinc/97/28/87/476972887.db2.gz HTRIOZXQOHPGCU-CXAGYDPISA-N 1 0 342.399 2.602 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000375781495 477002039 /nfs/dbraw/zinc/00/20/39/477002039.db2.gz XRRCFPPKQWVSTF-QBIMZIAESA-N 1 0 344.415 2.977 10 5 EFBERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000452573476 477004229 /nfs/dbraw/zinc/00/42/29/477004229.db2.gz MGRQYYYLUYHBCZ-LBPRGKRZSA-N 1 0 328.372 2.542 10 5 EFBERO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548376 477010718 /nfs/dbraw/zinc/01/07/18/477010718.db2.gz HGHLSTOKPVXFAU-OAGGEKHMSA-N 1 0 335.452 2.739 10 5 EFBERO O=C([C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000376003535 477126405 /nfs/dbraw/zinc/12/64/05/477126405.db2.gz MMPRVAHWBSLOQA-KGLIPLIRSA-N 1 0 337.445 2.927 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000371234282 477190564 /nfs/dbraw/zinc/19/05/64/477190564.db2.gz DAFCWBUMHZQLOQ-HUUCEWRRSA-N 1 0 347.415 2.598 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CF)CCOCC2)n1 ZINC000453306881 477208461 /nfs/dbraw/zinc/20/84/61/477208461.db2.gz JVBONAIURZNCEA-UONOGXRCSA-N 1 0 340.399 2.631 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423935466 477224448 /nfs/dbraw/zinc/22/44/48/477224448.db2.gz AFIIFJKYKQNKES-FZMZJTMJSA-N 1 0 337.807 2.852 10 5 EFBERO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423982388 477244979 /nfs/dbraw/zinc/24/49/79/477244979.db2.gz RNVGVMMTWSAZKQ-MRXNPFEDSA-N 1 0 327.384 2.895 10 5 EFBERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008843 477296823 /nfs/dbraw/zinc/29/68/23/477296823.db2.gz FEHJIYKAJAEREA-JVPBZIDWSA-N 1 0 342.395 2.814 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000433024966 477300106 /nfs/dbraw/zinc/30/01/06/477300106.db2.gz GCQPSVIGNHCUFS-CYBMUJFWSA-N 1 0 348.399 2.911 10 5 EFBERO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000433761352 477325896 /nfs/dbraw/zinc/32/58/96/477325896.db2.gz AEGMFATYULJVBH-CYBMUJFWSA-N 1 0 349.435 2.532 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)n2)cc1 ZINC000367076009 477328576 /nfs/dbraw/zinc/32/85/76/477328576.db2.gz YTZXDDVCEBOEEM-QGZVFWFLSA-N 1 0 344.371 2.647 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411792122 477370353 /nfs/dbraw/zinc/37/03/53/477370353.db2.gz QPOYVWXNRIFIMY-ZWKOTPCHSA-N 1 0 345.443 2.937 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4cccnc4o3)CC2)n1 ZINC000449285341 477525054 /nfs/dbraw/zinc/52/50/54/477525054.db2.gz DOWJVIFUIAVQCI-UHFFFAOYSA-N 1 0 327.344 2.770 10 5 EFBERO COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449383146 477561038 /nfs/dbraw/zinc/56/10/38/477561038.db2.gz FHAMYIDVWYGWMY-UWWQBHOKSA-N 1 0 336.432 2.683 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449360422 477562064 /nfs/dbraw/zinc/56/20/64/477562064.db2.gz JCYPKNJFGPSGAE-AWEZNQCLSA-N 1 0 346.408 2.564 10 5 EFBERO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450436881 477593939 /nfs/dbraw/zinc/59/39/39/477593939.db2.gz RVCFPJTWAFGTCU-QWHCGFSZSA-N 1 0 343.431 2.958 10 5 EFBERO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000455421047 477626380 /nfs/dbraw/zinc/62/63/80/477626380.db2.gz ULZXWYRVMCBILU-LBPRGKRZSA-N 1 0 334.420 2.966 10 5 EFBERO CCc1cc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000450573020 477638926 /nfs/dbraw/zinc/63/89/26/477638926.db2.gz VSPBEIUELZMTND-CQSZACIVSA-N 1 0 345.403 2.659 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000413502288 477702813 /nfs/dbraw/zinc/70/28/13/477702813.db2.gz MYWWQYYVEAAKPZ-VIBAHUMZSA-N 1 0 345.443 2.887 10 5 EFBERO Cc1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000367834601 477712065 /nfs/dbraw/zinc/71/20/65/477712065.db2.gz VYQWKFQAHCQRDF-OAHLLOKOSA-N 1 0 340.445 2.692 10 5 EFBERO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450809670 477724859 /nfs/dbraw/zinc/72/48/59/477724859.db2.gz KYZIMOMWPPBCST-HNNXBMFYSA-N 1 0 326.400 2.948 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000426914249 477759766 /nfs/dbraw/zinc/75/97/66/477759766.db2.gz OHBOCMSILYFTAE-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c(Cl)c1 ZINC000372352482 477767134 /nfs/dbraw/zinc/76/71/34/477767134.db2.gz YRXLXNQONBOOHE-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000427875845 477783449 /nfs/dbraw/zinc/78/34/49/477783449.db2.gz UXUDLORLUDWDAD-LLVKDONJSA-N 1 0 343.374 2.652 10 5 EFBERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438483197 477849133 /nfs/dbraw/zinc/84/91/33/477849133.db2.gz CURNXMZLOYGCMK-OLZOCXBDSA-N 1 0 335.404 2.908 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186289 477903329 /nfs/dbraw/zinc/90/33/29/477903329.db2.gz ZMGMNNUZJBKUQR-IINYFYTJSA-N 1 0 343.811 2.573 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000428538944 477923524 /nfs/dbraw/zinc/92/35/24/477923524.db2.gz RNXFQXIUWVHBKX-OAHLLOKOSA-N 1 0 334.372 2.569 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494638388 478030081 /nfs/dbraw/zinc/03/00/81/478030081.db2.gz UXGJDEZEDIEWFT-WCQYABFASA-N 1 0 349.412 2.615 10 5 EFBERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421393242 478069046 /nfs/dbraw/zinc/06/90/46/478069046.db2.gz VZKBHZCLMZKYSK-IVMMDQJWSA-N 1 0 335.404 2.859 10 5 EFBERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000421394612 478070362 /nfs/dbraw/zinc/07/03/62/478070362.db2.gz XTGFMIAAZQTWRZ-IVMMDQJWSA-N 1 0 335.404 2.859 10 5 EFBERO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000451591056 478112202 /nfs/dbraw/zinc/11/22/02/478112202.db2.gz MVOCSERLXDUIOU-UONOGXRCSA-N 1 0 336.388 2.815 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000560590668 478114982 /nfs/dbraw/zinc/11/49/82/478114982.db2.gz DXGJQPUFZQMQDM-INIZCTEOSA-N 1 0 347.415 2.611 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(CCO)CCCCC3)n2)cc1 ZINC000440884830 478171735 /nfs/dbraw/zinc/17/17/35/478171735.db2.gz GZDYHRLTKFWDFB-UHFFFAOYSA-N 1 0 346.387 2.820 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000518963777 478200835 /nfs/dbraw/zinc/20/08/35/478200835.db2.gz POWLNYUMGNDNJI-OAHLLOKOSA-N 1 0 330.388 2.963 10 5 EFBERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000562305272 478230602 /nfs/dbraw/zinc/23/06/02/478230602.db2.gz KMQWGSOOONBTKQ-LBPRGKRZSA-N 1 0 333.388 2.586 10 5 EFBERO C[NH+]1CCC(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000562547724 478266645 /nfs/dbraw/zinc/26/66/45/478266645.db2.gz OUSKPNGDJHUVJT-UHFFFAOYSA-N 1 0 349.434 2.753 10 5 EFBERO COc1cc(C[NH2+]C2CCC(OC(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000590662266 478279476 /nfs/dbraw/zinc/27/94/76/478279476.db2.gz IBGRRXKOHTUJCC-UHFFFAOYSA-N 1 0 346.330 2.949 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227411 478297146 /nfs/dbraw/zinc/29/71/46/478297146.db2.gz BGWJAWWGTNMEPC-QGZVFWFLSA-N 1 0 331.416 2.661 10 5 EFBERO CS(=O)(=O)CCCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757625 478322867 /nfs/dbraw/zinc/32/28/67/478322867.db2.gz PNODRDVZCKABFK-OAHLLOKOSA-N 1 0 340.445 2.599 10 5 EFBERO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600312313 478334472 /nfs/dbraw/zinc/33/44/72/478334472.db2.gz DSYJJKHSGOAAJL-LBPRGKRZSA-N 1 0 330.388 2.538 10 5 EFBERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417195 478373967 /nfs/dbraw/zinc/37/39/67/478373967.db2.gz AXOZHQNFEIVFGW-IRXDYDNUSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600471464 478382234 /nfs/dbraw/zinc/38/22/34/478382234.db2.gz SFZQQJDSGTUKGQ-OKZBNKHCSA-N 1 0 343.427 2.831 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600473182 478384986 /nfs/dbraw/zinc/38/49/86/478384986.db2.gz SUCYOWPCJKTLSQ-CQSZACIVSA-N 1 0 337.807 2.995 10 5 EFBERO CO[C@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594508116 478418152 /nfs/dbraw/zinc/41/81/52/478418152.db2.gz AYSRZSGXKLOLPU-INIZCTEOSA-N 1 0 336.413 2.810 10 5 EFBERO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510065 478418228 /nfs/dbraw/zinc/41/82/28/478418228.db2.gz OEQQMAYMLIKQNR-VWPFQQQWSA-N 1 0 333.432 2.669 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCCC3)O1)OCCO2 ZINC000594522445 478425041 /nfs/dbraw/zinc/42/50/41/478425041.db2.gz IMRSSKGRGYWIKT-AWEZNQCLSA-N 1 0 348.399 2.947 10 5 EFBERO CC1(C(N)=O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000570721788 478431340 /nfs/dbraw/zinc/43/13/40/478431340.db2.gz HBJIDNYVZXJMIP-UHFFFAOYSA-N 1 0 331.397 2.631 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594592294 478452006 /nfs/dbraw/zinc/45/20/06/478452006.db2.gz PJDGGDKRBWBPOM-PHIMTYICSA-N 1 0 339.367 2.663 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701333 478475237 /nfs/dbraw/zinc/47/52/37/478475237.db2.gz OOYRCOXCZHROKK-ZDUSSCGKSA-N 1 0 336.367 2.872 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccsc1 ZINC000600756675 478505781 /nfs/dbraw/zinc/50/57/81/478505781.db2.gz NOAKWMVKNHHMMH-MELADBBJSA-N 1 0 334.397 2.542 10 5 EFBERO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000540908276 478505992 /nfs/dbraw/zinc/50/59/92/478505992.db2.gz BGVWJRMLLHBACR-AWEZNQCLSA-N 1 0 330.384 2.986 10 5 EFBERO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594714033 478509438 /nfs/dbraw/zinc/50/94/38/478509438.db2.gz WGBKMYJTRYZTHW-WBMJQRKESA-N 1 0 325.368 2.833 10 5 EFBERO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(F)c1 ZINC000594738803 478523489 /nfs/dbraw/zinc/52/34/89/478523489.db2.gz NVYKRBDJKSYVOO-SJLPKXTDSA-N 1 0 329.375 2.969 10 5 EFBERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594739369 478523595 /nfs/dbraw/zinc/52/35/95/478523595.db2.gz OPZSFZRAKWMHOY-HNNXBMFYSA-N 1 0 341.367 2.725 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571149274 478531831 /nfs/dbraw/zinc/53/18/31/478531831.db2.gz PWOILPICXYRHND-KBXCAEBGSA-N 1 0 346.431 2.749 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571149275 478531864 /nfs/dbraw/zinc/53/18/64/478531864.db2.gz PWOILPICXYRHND-KDOFPFPSSA-N 1 0 346.431 2.749 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000541116172 478537569 /nfs/dbraw/zinc/53/75/69/478537569.db2.gz JPRJGCIVZOFXIQ-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597855437 478541915 /nfs/dbraw/zinc/54/19/15/478541915.db2.gz QOQNDFJAHAJZEJ-NSHDSACASA-N 1 0 325.434 2.815 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597857369 478544265 /nfs/dbraw/zinc/54/42/65/478544265.db2.gz FPYUHQOGIMQMHA-LBPRGKRZSA-N 1 0 330.388 2.679 10 5 EFBERO Cc1cc(N2CCC(C)([NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000591435776 478551241 /nfs/dbraw/zinc/55/12/41/478551241.db2.gz VYHVROYDBZNBMD-UHFFFAOYSA-N 1 0 328.210 2.983 10 5 EFBERO CC[NH+](CC)CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600892705 478554292 /nfs/dbraw/zinc/55/42/92/478554292.db2.gz YPMGPIFEWLCFKU-UHFFFAOYSA-N 1 0 333.432 2.865 10 5 EFBERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418918 478554877 /nfs/dbraw/zinc/55/48/77/478554877.db2.gz ROWFEWINFZMGEF-DYVFJYSZSA-N 1 0 341.415 2.574 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541438521 478557287 /nfs/dbraw/zinc/55/72/87/478557287.db2.gz FGNDIKQPRIOGOH-UHFFFAOYSA-N 1 0 345.852 2.750 10 5 EFBERO Cn1nc(C(F)(F)F)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000594919313 478583584 /nfs/dbraw/zinc/58/35/84/478583584.db2.gz IABNHKZVILBGSH-UHFFFAOYSA-N 1 0 328.294 2.679 10 5 EFBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000600962688 478587406 /nfs/dbraw/zinc/58/74/06/478587406.db2.gz JPFQPDLNROPUIB-CZMCAQCFSA-N 1 0 329.198 2.682 10 5 EFBERO COc1cc(C[NH2+]C[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594952309 478600596 /nfs/dbraw/zinc/60/05/96/478600596.db2.gz BJTSQLRMIZOUIH-GFCCVEGCSA-N 1 0 331.372 2.900 10 5 EFBERO Cc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000594958259 478604560 /nfs/dbraw/zinc/60/45/60/478604560.db2.gz ZYHGSGPXJACFDB-HNNXBMFYSA-N 1 0 325.368 2.581 10 5 EFBERO O=C(NCC[NH+]1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600998008 478605319 /nfs/dbraw/zinc/60/53/19/478605319.db2.gz QRYHVUJVRARZEI-UHFFFAOYSA-N 1 0 331.416 2.619 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966394 478609407 /nfs/dbraw/zinc/60/94/07/478609407.db2.gz RGAAKBRPPFGCPK-SGIREYDYSA-N 1 0 342.823 2.904 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601006409 478610800 /nfs/dbraw/zinc/61/08/00/478610800.db2.gz WOMSCTQJWDRIPW-CQSZACIVSA-N 1 0 343.427 2.617 10 5 EFBERO CC1(C)[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(F)F ZINC000594991858 478620811 /nfs/dbraw/zinc/62/08/11/478620811.db2.gz LNCCPRVQRQHBHE-ZDUSSCGKSA-N 1 0 328.315 2.747 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595000546 478623614 /nfs/dbraw/zinc/62/36/14/478623614.db2.gz LETPVPVBYAAHMQ-UHFFFAOYSA-N 1 0 337.420 2.671 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595001748 478624174 /nfs/dbraw/zinc/62/41/74/478624174.db2.gz XDOJGSKJBAUOCK-UHFFFAOYSA-N 1 0 349.431 2.909 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000595014570 478630382 /nfs/dbraw/zinc/63/03/82/478630382.db2.gz MIMPWMOGCZUSKN-ZDUSSCGKSA-N 1 0 343.383 2.684 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000582585115 478634378 /nfs/dbraw/zinc/63/43/78/478634378.db2.gz CTAITBNREMAQBJ-KBPBESRZSA-N 1 0 349.434 2.894 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595053641 478644354 /nfs/dbraw/zinc/64/43/54/478644354.db2.gz HORPGASKNSWZBE-PWSUYJOCSA-N 1 0 331.397 2.862 10 5 EFBERO COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000595059923 478644702 /nfs/dbraw/zinc/64/47/02/478644702.db2.gz IQFUVKWTNPCSPJ-HYVNUMGLSA-N 1 0 336.432 2.947 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000595059916 478644917 /nfs/dbraw/zinc/64/49/17/478644917.db2.gz INUUFYBGOWPDOY-ZDUSSCGKSA-N 1 0 340.445 2.769 10 5 EFBERO COC[C@H](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000595059924 478645685 /nfs/dbraw/zinc/64/56/85/478645685.db2.gz IQFUVKWTNPCSPJ-PVAVHDDUSA-N 1 0 336.432 2.947 10 5 EFBERO CN1c2ccccc2C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000595062667 478646884 /nfs/dbraw/zinc/64/68/84/478646884.db2.gz NTRKZFMVGCRTBN-CVEARBPZSA-N 1 0 337.379 2.759 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595061136 478646928 /nfs/dbraw/zinc/64/69/28/478646928.db2.gz PPTCXMRZLPTIFX-KNIMUDFMSA-N 1 0 348.443 2.947 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595061135 478646939 /nfs/dbraw/zinc/64/69/39/478646939.db2.gz PPTCXMRZLPTIFX-KLICCBINSA-N 1 0 348.443 2.947 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595069662 478649069 /nfs/dbraw/zinc/64/90/69/478649069.db2.gz PORIYWZUZBWLDZ-DZGCQCFKSA-N 1 0 326.343 2.930 10 5 EFBERO Cc1ccncc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595071188 478651271 /nfs/dbraw/zinc/65/12/71/478651271.db2.gz ANVONOFOUSYGHZ-CQSZACIVSA-N 1 0 342.399 2.848 10 5 EFBERO CC(C)C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+](C)C ZINC000601101656 478656831 /nfs/dbraw/zinc/65/68/31/478656831.db2.gz RIWUOVDSQMLIQB-VIFPVBQESA-N 1 0 337.346 2.735 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099980 478658859 /nfs/dbraw/zinc/65/88/59/478658859.db2.gz HPTXILOIEOUWQN-ZBFHGGJFSA-N 1 0 346.431 2.844 10 5 EFBERO CC(C)[NH+]1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103586 478658980 /nfs/dbraw/zinc/65/89/80/478658980.db2.gz YMCNCFDHZGFLHY-UHFFFAOYSA-N 1 0 349.357 2.656 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000601106148 478659406 /nfs/dbraw/zinc/65/94/06/478659406.db2.gz SVSYOSBRPIGAGJ-UHFFFAOYSA-N 1 0 331.351 2.600 10 5 EFBERO NC(=O)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595100523 478660307 /nfs/dbraw/zinc/66/03/07/478660307.db2.gz UXCAFXDOFXDKQM-HNNXBMFYSA-N 1 0 331.416 2.998 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106846 478662739 /nfs/dbraw/zinc/66/27/39/478662739.db2.gz NFMGJGMVEGYQLG-OLZOCXBDSA-N 1 0 335.404 2.717 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(CC(F)(F)F)cc2)c1 ZINC000601111851 478663302 /nfs/dbraw/zinc/66/33/02/478663302.db2.gz YKRLVBNNVHRRIV-UHFFFAOYSA-N 1 0 328.294 2.686 10 5 EFBERO CC[NH+](CC)C[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601122001 478670634 /nfs/dbraw/zinc/67/06/34/478670634.db2.gz VQSYDURFUAZOJD-SNVBAGLBSA-N 1 0 349.357 2.515 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894657 478680425 /nfs/dbraw/zinc/68/04/25/478680425.db2.gz VYERRGQZKBGCPE-GDBMZVCRSA-N 1 0 331.416 2.816 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601138105 478680851 /nfs/dbraw/zinc/68/08/51/478680851.db2.gz OUFZPRZDRWHUAB-HNNXBMFYSA-N 1 0 334.372 2.569 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H](O)C(F)F)o1 ZINC000601147007 478687712 /nfs/dbraw/zinc/68/77/12/478687712.db2.gz GNIKMEUBMGSVIY-CYBMUJFWSA-N 1 0 326.299 2.961 10 5 EFBERO Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595220501 478691281 /nfs/dbraw/zinc/69/12/81/478691281.db2.gz HRGPFFXRAOUPDI-NVXWUHKLSA-N 1 0 339.395 2.860 10 5 EFBERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000601152559 478691849 /nfs/dbraw/zinc/69/18/49/478691849.db2.gz FVKZUAJELYPIMR-IBGZPJMESA-N 1 0 344.411 2.995 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000601154485 478692318 /nfs/dbraw/zinc/69/23/18/478692318.db2.gz MEKNQWIULZSQPT-UHFFFAOYSA-N 1 0 347.341 2.633 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1ccccc1 ZINC000595221722 478692890 /nfs/dbraw/zinc/69/28/90/478692890.db2.gz PJYQGVYNPIWOCJ-CHWSQXEVSA-N 1 0 331.397 2.613 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225215 478693006 /nfs/dbraw/zinc/69/30/06/478693006.db2.gz KFFZXZXFVMYOTR-YOEHRIQHSA-N 1 0 331.416 2.898 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222496 478693062 /nfs/dbraw/zinc/69/30/62/478693062.db2.gz KCIXSCFCMQQMMJ-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595231033 478695515 /nfs/dbraw/zinc/69/55/15/478695515.db2.gz YGKYVGSAXGATOM-IAGOWNOFSA-N 1 0 340.383 2.862 10 5 EFBERO Cc1sc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595257593 478704121 /nfs/dbraw/zinc/70/41/21/478704121.db2.gz MDKNAOHMOGBMTC-AWEZNQCLSA-N 1 0 347.396 2.878 10 5 EFBERO Cc1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000595258381 478704513 /nfs/dbraw/zinc/70/45/13/478704513.db2.gz UQEZRVYALNGVNV-KRWDZBQOSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595258667 478705066 /nfs/dbraw/zinc/70/50/66/478705066.db2.gz VSCXLDAWHUWLEH-QGZVFWFLSA-N 1 0 341.367 2.816 10 5 EFBERO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000595259212 478706313 /nfs/dbraw/zinc/70/63/13/478706313.db2.gz YXSIXCIQVMFQKC-GFCCVEGCSA-N 1 0 333.369 2.570 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595262090 478706409 /nfs/dbraw/zinc/70/64/09/478706409.db2.gz JXVOUSIDDMSKFW-MRXNPFEDSA-N 1 0 336.436 2.590 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595275103 478710552 /nfs/dbraw/zinc/71/05/52/478710552.db2.gz GSJGCTYXQKHGCW-MRXNPFEDSA-N 1 0 334.420 2.642 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000601203012 478721126 /nfs/dbraw/zinc/72/11/26/478721126.db2.gz LPIQVIHTNOGMRX-JTQLQIEISA-N 1 0 347.341 2.776 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601211628 478724720 /nfs/dbraw/zinc/72/47/20/478724720.db2.gz FXVVBJKQDCUBMX-DLBZAZTESA-N 1 0 333.432 2.764 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000601215715 478728209 /nfs/dbraw/zinc/72/82/09/478728209.db2.gz CZSZQZLHUNUSAW-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000601218481 478728917 /nfs/dbraw/zinc/72/89/17/478728917.db2.gz VTGYUGSSOXTDRL-UHFFFAOYSA-N 1 0 346.431 2.539 10 5 EFBERO Cc1sc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598260308 478731009 /nfs/dbraw/zinc/73/10/09/478731009.db2.gz AGEQCZHRQOLVFD-NSHDSACASA-N 1 0 325.434 2.815 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000595331522 478734048 /nfs/dbraw/zinc/73/40/48/478734048.db2.gz WHOOUEFVGXGOPJ-HNNXBMFYSA-N 1 0 342.342 2.862 10 5 EFBERO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000543491859 478748092 /nfs/dbraw/zinc/74/80/92/478748092.db2.gz BVHPVQJEZZJXCO-CQSZACIVSA-N 1 0 335.404 2.517 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000601294724 478769220 /nfs/dbraw/zinc/76/92/20/478769220.db2.gz PZTQHWFYNKLWIN-ZDUSSCGKSA-N 1 0 338.404 2.912 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652222 478778346 /nfs/dbraw/zinc/77/83/46/478778346.db2.gz VOCIWXUFGMNTRD-VVFCZOMOSA-N 1 0 342.395 2.858 10 5 EFBERO CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132742 478790819 /nfs/dbraw/zinc/79/08/19/478790819.db2.gz NNFYRVGJYGQQDU-BQFCYCMXSA-N 1 0 336.432 2.717 10 5 EFBERO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000595484024 478812367 /nfs/dbraw/zinc/81/23/67/478812367.db2.gz WTVBKYXKERZWDD-STQMWFEESA-N 1 0 336.310 2.641 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1SC ZINC000592173050 478813801 /nfs/dbraw/zinc/81/38/01/478813801.db2.gz OKFDGBRTHZEDSZ-DFBGVHRSSA-N 1 0 326.418 2.602 10 5 EFBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592183069 478815704 /nfs/dbraw/zinc/81/57/04/478815704.db2.gz CPWMDKNIFHNDFW-QMTHXVAHSA-N 1 0 345.321 2.656 10 5 EFBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592185579 478816875 /nfs/dbraw/zinc/81/68/75/478816875.db2.gz ZXOLEDZEWLDKTE-HZMBPMFUSA-N 1 0 345.321 2.656 10 5 EFBERO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ncsc2C1 ZINC000592189865 478820434 /nfs/dbraw/zinc/82/04/34/478820434.db2.gz YDCWCTVHPYGRAY-ZDUSSCGKSA-N 1 0 349.460 2.907 10 5 EFBERO O=[N+]([O-])c1ccccc1CN(Cc1cn[nH]c1)[C@H]1CC[C@H](O)CC1 ZINC000595562883 478857288 /nfs/dbraw/zinc/85/72/88/478857288.db2.gz MVUMYMJYCWXZHJ-WKILWMFISA-N 1 0 330.388 2.624 10 5 EFBERO Cn1cnc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000595563837 478857307 /nfs/dbraw/zinc/85/73/07/478857307.db2.gz UORANHYVDLJVIP-QAQDUYKDSA-N 1 0 344.415 2.634 10 5 EFBERO Cc1noc(CN2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595562378 478858154 /nfs/dbraw/zinc/85/81/54/478858154.db2.gz JOQXKJSNKWXBMF-CMPLNLGQSA-N 1 0 339.392 2.691 10 5 EFBERO CN(CC1([NH+](C)C)CCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601520034 478862313 /nfs/dbraw/zinc/86/23/13/478862313.db2.gz ZHBISOAFDAUWBC-UHFFFAOYSA-N 1 0 345.443 2.959 10 5 EFBERO COc1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591124 478873285 /nfs/dbraw/zinc/87/32/85/478873285.db2.gz DNWXRIYNPAWVCC-MRXNPFEDSA-N 1 0 330.384 2.639 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000601554195 478875543 /nfs/dbraw/zinc/87/55/43/478875543.db2.gz CTIQNCBLNZIXEX-UHFFFAOYSA-N 1 0 334.420 2.611 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000601554165 478875981 /nfs/dbraw/zinc/87/59/81/478875981.db2.gz CBTHJQOLXOCSDV-UHFFFAOYSA-N 1 0 346.431 2.755 10 5 EFBERO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@]1(O)CCOC1 ZINC000592397525 478883789 /nfs/dbraw/zinc/88/37/89/478883789.db2.gz MYRKHUDTEOQIMK-VQIMIIECSA-N 1 0 348.443 2.683 10 5 EFBERO Cc1ccc(NC(=O)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000601567879 478884372 /nfs/dbraw/zinc/88/43/72/478884372.db2.gz PACXSBJBQYWANB-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595630940 478900657 /nfs/dbraw/zinc/90/06/57/478900657.db2.gz DHLYRRCTGQLXDK-KANYHAFZSA-N 1 0 344.358 2.529 10 5 EFBERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583688186 478916129 /nfs/dbraw/zinc/91/61/29/478916129.db2.gz SXLVVZATTVZKQN-KKFJDGPESA-N 1 0 345.321 2.730 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000592516980 478926432 /nfs/dbraw/zinc/92/64/32/478926432.db2.gz MNZOQSKAFDDWSZ-GOEBONIOSA-N 1 0 348.399 2.772 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000592520322 478928712 /nfs/dbraw/zinc/92/87/12/478928712.db2.gz LAQXDQYYORCJRZ-HNNXBMFYSA-N 1 0 341.367 2.766 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537963 478938590 /nfs/dbraw/zinc/93/85/90/478938590.db2.gz OCVHDTACHGQPIU-UONOGXRCSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595691075 478939044 /nfs/dbraw/zinc/93/90/44/478939044.db2.gz YLYVPCILBAYYKF-HDICACEKSA-N 1 0 347.415 2.590 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592571274 478944700 /nfs/dbraw/zinc/94/47/00/478944700.db2.gz WTMLKHAEIFFBRV-CQSZACIVSA-N 1 0 335.429 2.721 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592571273 478944918 /nfs/dbraw/zinc/94/49/18/478944918.db2.gz WTMLKHAEIFFBRV-AWEZNQCLSA-N 1 0 335.429 2.721 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595706133 478950180 /nfs/dbraw/zinc/95/01/80/478950180.db2.gz GQEDDRFUHRSFRV-YSVLISHTSA-N 1 0 342.395 2.653 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595706132 478950393 /nfs/dbraw/zinc/95/03/93/478950393.db2.gz GQEDDRFUHRSFRV-JLJPHGGASA-N 1 0 342.395 2.653 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CC1(F)F ZINC000598677618 478963915 /nfs/dbraw/zinc/96/39/15/478963915.db2.gz QGMQNNHYAYRDHV-WDEREUQCSA-N 1 0 327.331 2.947 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CC1(F)F ZINC000598677616 478964538 /nfs/dbraw/zinc/96/45/38/478964538.db2.gz QGMQNNHYAYRDHV-MNOVXSKESA-N 1 0 327.331 2.947 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CC1(F)F ZINC000598678419 478967187 /nfs/dbraw/zinc/96/71/87/478967187.db2.gz XVCCBQIJVSYVHN-GHMZBOCLSA-N 1 0 327.331 2.947 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000595771400 478988772 /nfs/dbraw/zinc/98/87/72/478988772.db2.gz PAIJINMAIFTWDO-MAUKXSAKSA-N 1 0 344.415 2.708 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000595773976 478989183 /nfs/dbraw/zinc/98/91/83/478989183.db2.gz YQUXBTMFFIZQIV-HOTGVXAUSA-N 1 0 344.415 2.708 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000601791637 479006574 /nfs/dbraw/zinc/00/65/74/479006574.db2.gz NFKXCHONQZEXOW-UHFFFAOYSA-N 1 0 325.434 2.911 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595819924 479015201 /nfs/dbraw/zinc/01/52/01/479015201.db2.gz RDHMGMNJKJQANI-UWLZSVRSSA-N 1 0 340.395 2.841 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595832074 479021900 /nfs/dbraw/zinc/02/19/00/479021900.db2.gz HJVQPYGEVWCUGG-HZPDHXFCSA-N 1 0 334.416 2.847 10 5 EFBERO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595856709 479034930 /nfs/dbraw/zinc/03/49/30/479034930.db2.gz PJFHHBYXBDUYAI-WVSHTKLVSA-N 1 0 346.305 2.997 10 5 EFBERO O=C(C[N@H+](CCC1CC1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595870819 479042272 /nfs/dbraw/zinc/04/22/72/479042272.db2.gz GKIRHVGZSCCBJA-UHFFFAOYSA-N 1 0 343.427 2.996 10 5 EFBERO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595873633 479044706 /nfs/dbraw/zinc/04/47/06/479044706.db2.gz OPQQWLZATNAVSL-UHFFFAOYSA-N 1 0 336.436 2.633 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595905017 479062844 /nfs/dbraw/zinc/06/28/44/479062844.db2.gz OECVSCFCTRNULZ-HDICACEKSA-N 1 0 332.400 2.996 10 5 EFBERO COCC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCCC1 ZINC000595909154 479065094 /nfs/dbraw/zinc/06/50/94/479065094.db2.gz NAPVGKSXWRDMGA-UHFFFAOYSA-N 1 0 336.388 2.820 10 5 EFBERO CC(C)([NH3+])c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000595937165 479078631 /nfs/dbraw/zinc/07/86/31/479078631.db2.gz QTOVEGCIRWNBDB-UHFFFAOYSA-N 1 0 346.387 2.529 10 5 EFBERO Cc1sc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595935944 479079621 /nfs/dbraw/zinc/07/96/21/479079621.db2.gz KPRLVJNPUGEYCS-ZDUSSCGKSA-N 1 0 337.445 2.817 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000598914494 479083621 /nfs/dbraw/zinc/08/36/21/479083621.db2.gz GMTMPKNQNQKURJ-OAHLLOKOSA-N 1 0 338.795 2.856 10 5 EFBERO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962368 479083940 /nfs/dbraw/zinc/08/39/40/479083940.db2.gz QGGNOKRGYVQULY-CYBMUJFWSA-N 1 0 335.379 2.586 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595965312 479084103 /nfs/dbraw/zinc/08/41/03/479084103.db2.gz CGRYNGJXXDBOET-MRXNPFEDSA-N 1 0 341.367 2.816 10 5 EFBERO C[N@@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592883470 479088229 /nfs/dbraw/zinc/08/82/29/479088229.db2.gz ZUFSVKCSCIKGEO-AEFFLSMTSA-N 1 0 339.395 2.670 10 5 EFBERO O=C(CC[NH+]1CC(Cc2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000601961900 479096727 /nfs/dbraw/zinc/09/67/27/479096727.db2.gz BTFHCRHUVYLPOZ-UHFFFAOYSA-N 1 0 329.356 2.691 10 5 EFBERO Cc1scc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000601969062 479101598 /nfs/dbraw/zinc/10/15/98/479101598.db2.gz SGOUZBXLYLKNJJ-HNNXBMFYSA-N 1 0 336.413 2.803 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000601971062 479102982 /nfs/dbraw/zinc/10/29/82/479102982.db2.gz ASIHVFDFGRVOSE-LBPRGKRZSA-N 1 0 337.445 2.581 10 5 EFBERO COc1cc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1O ZINC000598988127 479116730 /nfs/dbraw/zinc/11/67/30/479116730.db2.gz WTHOCDZVNOXJNV-ZDUSSCGKSA-N 1 0 344.367 2.711 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599008641 479124313 /nfs/dbraw/zinc/12/43/13/479124313.db2.gz ZVQMOINQIARFPJ-BXUZGUMPSA-N 1 0 328.315 2.853 10 5 EFBERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593014354 479125165 /nfs/dbraw/zinc/12/51/65/479125165.db2.gz JBWXRNWLESBRBF-CVEARBPZSA-N 1 0 336.388 2.507 10 5 EFBERO O=[N+]([O-])c1c(NCCCC[NH+]2CCOCC2)ccc2cnccc21 ZINC000599020529 479128102 /nfs/dbraw/zinc/12/81/02/479128102.db2.gz UUCUKDJLKPOUON-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]([C@H](C)CO)C2CCCC2)c1 ZINC000593025396 479130793 /nfs/dbraw/zinc/13/07/93/479130793.db2.gz RYPDPNUFKPURPV-GFCCVEGCSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000593028410 479131895 /nfs/dbraw/zinc/13/18/95/479131895.db2.gz FMDRKQYBPTZBHM-WFASDCNBSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000593030519 479133145 /nfs/dbraw/zinc/13/31/45/479133145.db2.gz XACXOQQLWNVUHN-MRXNPFEDSA-N 1 0 348.399 2.820 10 5 EFBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H](Cn2ccnn2)C1 ZINC000599056938 479141598 /nfs/dbraw/zinc/14/15/98/479141598.db2.gz AHTCFSCKRXINCS-CYBMUJFWSA-N 1 0 338.371 2.651 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593051014 479143849 /nfs/dbraw/zinc/14/38/49/479143849.db2.gz KNSSANZVQOPJMT-WFASDCNBSA-N 1 0 337.420 2.619 10 5 EFBERO COCC[N@@H+]1CCC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596115549 479147538 /nfs/dbraw/zinc/14/75/38/479147538.db2.gz BEVRYJTYECLLKK-LLVKDONJSA-N 1 0 343.811 2.780 10 5 EFBERO CCc1ccc([C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599071034 479149095 /nfs/dbraw/zinc/14/90/95/479149095.db2.gz PYPWVYUSCSSPAK-PBFPGSCMSA-N 1 0 343.383 2.693 10 5 EFBERO Cn1ccnc1[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085637 479155727 /nfs/dbraw/zinc/15/57/27/479155727.db2.gz UUJAFDOFQZELDM-HYVNUMGLSA-N 1 0 342.399 2.575 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000599090747 479158226 /nfs/dbraw/zinc/15/82/26/479158226.db2.gz CHROUPLEZNFPCI-XFJVYGCCSA-N 1 0 346.387 2.727 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000599094328 479159484 /nfs/dbraw/zinc/15/94/84/479159484.db2.gz UEHDKAPUBRHLLN-CZUORRHYSA-N 1 0 331.416 2.659 10 5 EFBERO CC[C@H](CO)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596140079 479160604 /nfs/dbraw/zinc/16/06/04/479160604.db2.gz CYHOYSUVRXEPBZ-LLVKDONJSA-N 1 0 347.337 2.507 10 5 EFBERO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000596144462 479161834 /nfs/dbraw/zinc/16/18/34/479161834.db2.gz GIBPJRIQTPBTBM-MNOVXSKESA-N 1 0 325.796 2.930 10 5 EFBERO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593096434 479173160 /nfs/dbraw/zinc/17/31/60/479173160.db2.gz SNKDESFBKWZLHW-CYBMUJFWSA-N 1 0 339.395 2.856 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000599141099 479179092 /nfs/dbraw/zinc/17/90/92/479179092.db2.gz WSEGSYQHDYWGLM-OAHLLOKOSA-N 1 0 328.372 2.685 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000610769989 479181953 /nfs/dbraw/zinc/18/19/53/479181953.db2.gz VIAVPBHBYBOPTQ-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593115249 479183349 /nfs/dbraw/zinc/18/33/49/479183349.db2.gz BMSJHSYOQSONTR-CQSZACIVSA-N 1 0 325.315 2.655 10 5 EFBERO COc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180534 479184253 /nfs/dbraw/zinc/18/42/53/479184253.db2.gz UXGJHGYMEJVGQR-TZMCWYRMSA-N 1 0 345.852 2.739 10 5 EFBERO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599163557 479189526 /nfs/dbraw/zinc/18/95/26/479189526.db2.gz DJUXABYAHNQYQU-INIZCTEOSA-N 1 0 326.400 2.994 10 5 EFBERO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164024 479189928 /nfs/dbraw/zinc/18/99/28/479189928.db2.gz HWMWZZCUWMOVQC-CYBMUJFWSA-N 1 0 348.403 2.595 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602172156 479215832 /nfs/dbraw/zinc/21/58/32/479215832.db2.gz NSKYDPGRWZKIFZ-JJXSEGSLSA-N 1 0 331.416 2.543 10 5 EFBERO Cc1ccc(OC[C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000556831220 479218133 /nfs/dbraw/zinc/21/81/33/479218133.db2.gz GRXHAXCXGPLKKK-QGZVFWFLSA-N 1 0 344.411 2.817 10 5 EFBERO COC(=O)c1coc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000569968531 479218501 /nfs/dbraw/zinc/21/85/01/479218501.db2.gz IPVMBHRYRALNAU-UHFFFAOYSA-N 1 0 343.339 2.788 10 5 EFBERO COc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596241471 479219101 /nfs/dbraw/zinc/21/91/01/479219101.db2.gz FTAYPRGRIRMXTF-OAHLLOKOSA-N 1 0 325.796 2.789 10 5 EFBERO COc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)cc1[N+](=O)[O-] ZINC000596259651 479228113 /nfs/dbraw/zinc/22/81/13/479228113.db2.gz YKYDNIMRGHBJBW-PHIMTYICSA-N 1 0 341.795 2.532 10 5 EFBERO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596269665 479232050 /nfs/dbraw/zinc/23/20/50/479232050.db2.gz XHKNFDJSHFYAAZ-UHFFFAOYSA-N 1 0 325.434 2.656 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000596279282 479235311 /nfs/dbraw/zinc/23/53/11/479235311.db2.gz RXRXSVZTHRJQEY-JTQLQIEISA-N 1 0 341.795 2.565 10 5 EFBERO COc1cc(SC[C@H]2CN(C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284565 479237546 /nfs/dbraw/zinc/23/75/46/479237546.db2.gz APEOOBMEOCMJHV-SECBINFHSA-N 1 0 332.809 2.680 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000593203236 479237960 /nfs/dbraw/zinc/23/79/60/479237960.db2.gz IRUCAEBVZHRVSB-CYBMUJFWSA-N 1 0 339.411 2.932 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000556927601 479239461 /nfs/dbraw/zinc/23/94/61/479239461.db2.gz UNCKODLNLZODPQ-GYVFVFFDSA-N 1 0 345.443 2.793 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596301084 479245814 /nfs/dbraw/zinc/24/58/14/479245814.db2.gz YFRUPABHVYSMTA-AOOOYVTPSA-N 1 0 341.795 2.787 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000596307364 479248586 /nfs/dbraw/zinc/24/85/86/479248586.db2.gz LGALREDHUZKYDA-LBPRGKRZSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1cc(N2CC[C@H](Cn3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596323060 479254225 /nfs/dbraw/zinc/25/42/25/479254225.db2.gz ZKBPPIXOFWLHRO-ZDUSSCGKSA-N 1 0 338.371 2.569 10 5 EFBERO C[C@@H]1C[C@@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370494 479272690 /nfs/dbraw/zinc/27/26/90/479272690.db2.gz IXZRMFFUJLBFKK-CHWSQXEVSA-N 1 0 329.404 2.639 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593314029 479288474 /nfs/dbraw/zinc/28/84/74/479288474.db2.gz FFKRKGVRHXBWBK-AWEZNQCLSA-N 1 0 336.436 2.933 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000596422568 479288713 /nfs/dbraw/zinc/28/87/13/479288713.db2.gz FGWQOKJLWOGFFC-AWEZNQCLSA-N 1 0 333.413 2.835 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000596422581 479288905 /nfs/dbraw/zinc/28/89/05/479288905.db2.gz FRDROQBTTYLXAW-SFHVURJKSA-N 1 0 327.384 2.774 10 5 EFBERO O=[N+]([O-])c1ccccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422884 479289049 /nfs/dbraw/zinc/28/90/49/479289049.db2.gz JDWCHWXSROJZLO-INIZCTEOSA-N 1 0 327.384 2.774 10 5 EFBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324230 479296627 /nfs/dbraw/zinc/29/66/27/479296627.db2.gz ZEJIEGNPGVATSY-RDBSUJKOSA-N 1 0 325.434 2.517 10 5 EFBERO CC[C@@H](NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456929 479303118 /nfs/dbraw/zinc/30/31/18/479303118.db2.gz UZOKCRWXMFILQW-HZPDHXFCSA-N 1 0 334.420 2.782 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180309 479305561 /nfs/dbraw/zinc/30/55/61/479305561.db2.gz WQDNPYKLEWLLPG-JTQLQIEISA-N 1 0 343.330 2.519 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000596543311 479334097 /nfs/dbraw/zinc/33/40/97/479334097.db2.gz RKURKNYVJYWXFS-UHFFFAOYSA-N 1 0 338.408 2.617 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611287563 479338860 /nfs/dbraw/zinc/33/88/60/479338860.db2.gz RTBIFGDWPOXXHD-KBPBESRZSA-N 1 0 348.399 2.615 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000596564098 479341387 /nfs/dbraw/zinc/34/13/87/479341387.db2.gz CCRSREQVYPOVLX-MRXNPFEDSA-N 1 0 344.415 2.690 10 5 EFBERO CC1(C)CCC[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599597786 479347356 /nfs/dbraw/zinc/34/73/56/479347356.db2.gz YGYNOMVPWVTAGI-GOSISDBHSA-N 1 0 349.431 2.844 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593466722 479353998 /nfs/dbraw/zinc/35/39/98/479353998.db2.gz JRCUXASPTMFWSO-HNNXBMFYSA-N 1 0 342.399 2.808 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625637 479358075 /nfs/dbraw/zinc/35/80/75/479358075.db2.gz NXLMRLFGKJBKAP-AMDHYVTDSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625559 479358438 /nfs/dbraw/zinc/35/84/38/479358438.db2.gz NBWCXADTJOELBZ-JNIYBQFBSA-N 1 0 332.360 2.546 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599640286 479364354 /nfs/dbraw/zinc/36/43/54/479364354.db2.gz UDIULBNGAKFJSY-MAUKXSAKSA-N 1 0 334.416 2.976 10 5 EFBERO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611439120 479380460 /nfs/dbraw/zinc/38/04/60/479380460.db2.gz DATJAOLGWMEQQL-LBPRGKRZSA-N 1 0 344.367 2.792 10 5 EFBERO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599674849 479384222 /nfs/dbraw/zinc/38/42/22/479384222.db2.gz JJRGWGCZPDRUGL-KSSFIOAISA-N 1 0 329.400 2.748 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599693860 479394710 /nfs/dbraw/zinc/39/47/10/479394710.db2.gz NNFCIWFWJCQEAZ-CQSZACIVSA-N 1 0 348.403 2.742 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501902 479397376 /nfs/dbraw/zinc/39/73/76/479397376.db2.gz KJKWSRVIVARUIF-AAEUAGOBSA-N 1 0 339.367 2.612 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502429 479397844 /nfs/dbraw/zinc/39/78/44/479397844.db2.gz SEQUOTBPBHYATL-YPMHNXCESA-N 1 0 339.367 2.612 10 5 EFBERO CC[NH+](CC)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)CC(C)C ZINC000611525519 479405730 /nfs/dbraw/zinc/40/57/30/479405730.db2.gz YDARCHIDJLNOSZ-HNNXBMFYSA-N 1 0 338.452 2.838 10 5 EFBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC000611525556 479405816 /nfs/dbraw/zinc/40/58/16/479405816.db2.gz KKLCMGQCIOHEHO-INIZCTEOSA-N 1 0 348.378 2.523 10 5 EFBERO CC[N@H+](C)Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000611525472 479405942 /nfs/dbraw/zinc/40/59/42/479405942.db2.gz FQWDRSOIPBWDIG-UHFFFAOYSA-N 1 0 344.415 2.733 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000593693811 479424881 /nfs/dbraw/zinc/42/48/81/479424881.db2.gz FGKQEJCMFBJSQM-MRXNPFEDSA-N 1 0 327.384 2.769 10 5 EFBERO Cn1cc(C[NH2+]CCC2(CO)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593693511 479425794 /nfs/dbraw/zinc/42/57/94/479425794.db2.gz NOYMETGJZATITQ-UHFFFAOYSA-N 1 0 344.415 2.638 10 5 EFBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730187 479436082 /nfs/dbraw/zinc/43/60/82/479436082.db2.gz LKGAOXNEVNRQQV-DQYPLSBCSA-N 1 0 337.395 2.595 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCOC1 ZINC000593725839 479436254 /nfs/dbraw/zinc/43/62/54/479436254.db2.gz YTJNHYVNABAWQE-CZUORRHYSA-N 1 0 340.445 2.597 10 5 EFBERO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830040 479442759 /nfs/dbraw/zinc/44/27/59/479442759.db2.gz POAAJEVAEXWLKZ-UHFFFAOYSA-N 1 0 331.376 2.605 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830878 479443884 /nfs/dbraw/zinc/44/38/84/479443884.db2.gz XTQJBELJNHUHQT-UHFFFAOYSA-N 1 0 343.387 2.703 10 5 EFBERO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599833383 479444267 /nfs/dbraw/zinc/44/42/67/479444267.db2.gz RAJPPYUYWOOKQU-GFCCVEGCSA-N 1 0 343.387 2.701 10 5 EFBERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832457 479444834 /nfs/dbraw/zinc/44/48/34/479444834.db2.gz CHQWZUXWOMYNPL-LBPRGKRZSA-N 1 0 343.387 2.558 10 5 EFBERO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000614585365 479450180 /nfs/dbraw/zinc/45/01/80/479450180.db2.gz VIKULBHIJITAMW-INIZCTEOSA-N 1 0 329.381 2.752 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000611706425 479451643 /nfs/dbraw/zinc/45/16/43/479451643.db2.gz KIEVKEFLQRDXBB-HNNXBMFYSA-N 1 0 341.415 2.993 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000611706643 479451813 /nfs/dbraw/zinc/45/18/13/479451813.db2.gz KUMMCZVXRVLCPF-MLGOLLRUSA-N 1 0 329.404 2.705 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709102 479452758 /nfs/dbraw/zinc/45/27/58/479452758.db2.gz XMDPDJNRCSJAKZ-STQMWFEESA-N 1 0 329.404 2.635 10 5 EFBERO CCc1nn(C)cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588933632 479461062 /nfs/dbraw/zinc/46/10/62/479461062.db2.gz MGXNHGZTWWAHRP-UHFFFAOYSA-N 1 0 327.388 2.704 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599920201 479471030 /nfs/dbraw/zinc/47/10/30/479471030.db2.gz ICNBNNDNEQWHPW-XWIAVFTESA-N 1 0 346.431 2.605 10 5 EFBERO Cc1cc(N2CCC(OCCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930151 479525019 /nfs/dbraw/zinc/52/50/19/479525019.db2.gz WJSXWEDFSFFJRW-UHFFFAOYSA-N 1 0 345.399 2.819 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502348 479532895 /nfs/dbraw/zinc/53/28/95/479532895.db2.gz VCBDVLPJZFGJDZ-CJNGLKHVSA-N 1 0 349.431 2.544 10 5 EFBERO CCC[NH+]1CCC(N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497408 479533341 /nfs/dbraw/zinc/53/33/41/479533341.db2.gz TYSZRHQZTWNDIP-UHFFFAOYSA-N 1 0 349.431 2.688 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000589509532 479535761 /nfs/dbraw/zinc/53/57/61/479535761.db2.gz XODPCMALHXXPPG-MRXNPFEDSA-N 1 0 348.399 2.772 10 5 EFBERO C[C@]1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCS1 ZINC000600160826 479551853 /nfs/dbraw/zinc/55/18/53/479551853.db2.gz GKXGXKHORKOLBK-QGZVFWFLSA-N 1 0 349.456 2.638 10 5 EFBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040071 479561549 /nfs/dbraw/zinc/56/15/49/479561549.db2.gz CWWMBACPQPCFGF-CZUORRHYSA-N 1 0 335.404 2.861 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042339 479563170 /nfs/dbraw/zinc/56/31/70/479563170.db2.gz IHFDJACYWKREPC-UKRRQHHQSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045218 479564738 /nfs/dbraw/zinc/56/47/38/479564738.db2.gz UHVKGLXATKOMHA-GOEBONIOSA-N 1 0 338.404 2.920 10 5 EFBERO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCO1 ZINC000594043875 479564958 /nfs/dbraw/zinc/56/49/58/479564958.db2.gz PBBPTLWVMOBCJY-JKSUJKDBSA-N 1 0 336.388 2.899 10 5 EFBERO O=C(CC[NH2+]CCCC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000576220963 479567901 /nfs/dbraw/zinc/56/79/01/479567901.db2.gz NEYVDXMFLLPVKH-UHFFFAOYSA-N 1 0 335.404 2.720 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594103109 479589281 /nfs/dbraw/zinc/58/92/81/479589281.db2.gz WACJSKUYBFNJEY-BJHJDKERSA-N 1 0 337.445 2.777 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000590053069 479597318 /nfs/dbraw/zinc/59/73/18/479597318.db2.gz WIWMGAYCIPJWOS-RHSMWYFYSA-N 1 0 327.384 2.991 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000590052432 479597589 /nfs/dbraw/zinc/59/75/89/479597589.db2.gz BXPBQPVXVIYPNB-SUMWQHHRSA-N 1 0 327.384 2.991 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000590052425 479597636 /nfs/dbraw/zinc/59/76/36/479597636.db2.gz BXPBQPVXVIYPNB-DYVFJYSZSA-N 1 0 327.384 2.991 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC(CO)(CO)C2)s1 ZINC000597218836 479625456 /nfs/dbraw/zinc/62/54/56/479625456.db2.gz LYODSCANIUZNGZ-UHFFFAOYSA-N 1 0 348.424 2.500 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602918529 479629970 /nfs/dbraw/zinc/62/99/70/479629970.db2.gz SNHVJYHJWCNLHC-KGLIPLIRSA-N 1 0 336.779 2.602 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000590356187 479634524 /nfs/dbraw/zinc/63/45/24/479634524.db2.gz RMNBDOSTCDOOOC-UHFFFAOYSA-N 1 0 337.445 2.918 10 5 EFBERO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]1C(F)(F)F ZINC000590378643 479637326 /nfs/dbraw/zinc/63/73/26/479637326.db2.gz YTJVASLQAAUHSL-LBPRGKRZSA-N 1 0 340.261 2.557 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590441273 479647862 /nfs/dbraw/zinc/64/78/62/479647862.db2.gz CZHGDNPBHNXKDA-IUODEOHRSA-N 1 0 349.456 2.871 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(C1)CC[NH+](C)CC2 ZINC000590568033 479660493 /nfs/dbraw/zinc/66/04/93/479660493.db2.gz UYXOEBGAGGANCD-UHFFFAOYSA-N 1 0 347.415 2.612 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000590578306 479662702 /nfs/dbraw/zinc/66/27/02/479662702.db2.gz PQYYPAHBWNOYGG-JTQLQIEISA-N 1 0 341.795 2.565 10 5 EFBERO Cc1c(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000590604279 479667871 /nfs/dbraw/zinc/66/78/71/479667871.db2.gz VGUUOGYKEPNCPE-QGZVFWFLSA-N 1 0 344.415 2.630 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000616118958 479830743 /nfs/dbraw/zinc/83/07/43/479830743.db2.gz AAHXAUMLMYTSEI-UHFFFAOYSA-N 1 0 346.391 2.614 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000610368697 480291552 /nfs/dbraw/zinc/29/15/52/480291552.db2.gz CUNJIWSMJHWERY-CQSZACIVSA-N 1 0 346.387 2.516 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610446369 480308507 /nfs/dbraw/zinc/30/85/07/480308507.db2.gz VBUJTIOBEHLFCH-AWEZNQCLSA-N 1 0 342.399 2.660 10 5 EFBERO COc1cc(C[NH2+]C[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610517683 480327868 /nfs/dbraw/zinc/32/78/68/480327868.db2.gz DDAIQSGXSDNXKD-LBPRGKRZSA-N 1 0 331.372 2.900 10 5 EFBERO C[NH2+]C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1 ZINC000630003891 480506217 /nfs/dbraw/zinc/50/62/17/480506217.db2.gz INCAEXKXVDVTRR-UHFFFAOYSA-N 1 0 335.407 2.553 10 5 EFBERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230103 533793228 /nfs/dbraw/zinc/79/32/28/533793228.db2.gz NESYONRCNIJBOP-YPMHNXCESA-N 1 0 325.384 2.657 10 5 EFBERO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000184605984 533963982 /nfs/dbraw/zinc/96/39/82/533963982.db2.gz TWXMINPVBQLXDC-HNNXBMFYSA-N 1 0 332.404 2.995 10 5 EFBERO COc1ccc(NC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000177570392 534078341 /nfs/dbraw/zinc/07/83/41/534078341.db2.gz JBJPGXFYEBQUKM-STQMWFEESA-N 1 0 333.388 2.664 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000362518418 517727020 /nfs/dbraw/zinc/72/70/20/517727020.db2.gz GEMGTOASXDUBHA-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068223032 519337975 /nfs/dbraw/zinc/33/79/75/519337975.db2.gz MEHUKQUHDWFEOU-GFCCVEGCSA-N 1 0 327.812 2.954 10 5 EFBERO CC(C)[C@@H]([NH3+])CCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000232696318 519796460 /nfs/dbraw/zinc/79/64/60/519796460.db2.gz JGWKDECVODKMCD-JTQLQIEISA-N 1 0 331.214 2.562 10 5 EFBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000182137849 519922086 /nfs/dbraw/zinc/92/20/86/519922086.db2.gz LZPGHFYIDXTING-ZDUSSCGKSA-N 1 0 341.839 2.791 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178338408 520829583 /nfs/dbraw/zinc/82/95/83/520829583.db2.gz IDJOEVSKSLXLHT-ZDUSSCGKSA-N 1 0 336.436 2.875 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076490649 520891670 /nfs/dbraw/zinc/89/16/70/520891670.db2.gz LJSJGMJRNGKEHU-UKRRQHHQSA-N 1 0 349.431 2.796 10 5 EFBERO CCOc1ccc(C(=O)NCCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174118445 520906402 /nfs/dbraw/zinc/90/64/02/520906402.db2.gz IPTRSFNKACXGQZ-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000184769378 522304216 /nfs/dbraw/zinc/30/42/16/522304216.db2.gz YYSFSGCDMSCQEB-OAHLLOKOSA-N 1 0 333.432 2.716 10 5 EFBERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000195520278 523601479 /nfs/dbraw/zinc/60/14/79/523601479.db2.gz BYYKCQNXSZHNIY-CYBMUJFWSA-N 1 0 345.403 2.594 10 5 EFBERO CN1CCO[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180844432 523940762 /nfs/dbraw/zinc/94/07/62/523940762.db2.gz RGDPGBRIXPUTAX-OALUTQOASA-N 1 0 341.411 2.604 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180124992 523964223 /nfs/dbraw/zinc/96/42/23/523964223.db2.gz NFXFFHXFAODNOV-APWZRJJASA-N 1 0 339.395 2.699 10 5 EFBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246232097 523992148 /nfs/dbraw/zinc/99/21/48/523992148.db2.gz HZIHBVUPYCMUJN-NHYWBVRUSA-N 1 0 337.807 2.805 10 5 EFBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccco2)C1 ZINC000245573526 524290494 /nfs/dbraw/zinc/29/04/94/524290494.db2.gz CZUOWZAKXKBDAW-DZGCQCFKSA-N 1 0 331.372 2.823 10 5 EFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289812 534781655 /nfs/dbraw/zinc/78/16/55/534781655.db2.gz ZUNPWGVRAODJSQ-INIZCTEOSA-N 1 0 330.388 2.643 10 5 EFBERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157451238 524915533 /nfs/dbraw/zinc/91/55/33/524915533.db2.gz IBPLGWOGCAEQTM-MRXNPFEDSA-N 1 0 346.387 2.646 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811071 525556286 /nfs/dbraw/zinc/55/62/86/525556286.db2.gz HKVZNLZHQZILQA-DZGCQCFKSA-N 1 0 327.388 2.704 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000177047360 525561814 /nfs/dbraw/zinc/56/18/14/525561814.db2.gz VHSBWJOHJPLAAM-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000183290962 525562474 /nfs/dbraw/zinc/56/24/74/525562474.db2.gz WHZPLKOEFIVSSR-HNNXBMFYSA-N 1 0 333.432 2.588 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149155396 525988871 /nfs/dbraw/zinc/98/88/71/525988871.db2.gz KRAIZCFKPXYGSU-ZDUSSCGKSA-N 1 0 349.456 2.772 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245430995 526077698 /nfs/dbraw/zinc/07/76/98/526077698.db2.gz NVFAKEDLWBSHKP-QFBILLFUSA-N 1 0 346.475 2.758 10 5 EFBERO Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000049074368 526085748 /nfs/dbraw/zinc/08/57/48/526085748.db2.gz FGMNHMYKTRZQBB-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO CSc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186571317 526087789 /nfs/dbraw/zinc/08/77/89/526087789.db2.gz OLJDTQSLYIEVGM-RYUDHWBXSA-N 1 0 337.445 2.871 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343684289 534909661 /nfs/dbraw/zinc/90/96/61/534909661.db2.gz YZCNXJNCZIFUND-ZDUSSCGKSA-N 1 0 330.388 2.680 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000063812950 526249426 /nfs/dbraw/zinc/24/94/26/526249426.db2.gz XJMBWIAGCMPMFH-HNNXBMFYSA-N 1 0 348.447 2.778 10 5 EFBERO CN1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424330237 536450888 /nfs/dbraw/zinc/45/08/88/536450888.db2.gz RRCKPZBDYZXMTA-CXAGYDPISA-N 1 0 331.416 2.820 10 5 EFBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000077511092 526610548 /nfs/dbraw/zinc/61/05/48/526610548.db2.gz AMNGZLWBWBIFST-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195518293 526920702 /nfs/dbraw/zinc/92/07/02/526920702.db2.gz CXMCMLBEFXEIJV-AWEZNQCLSA-N 1 0 346.387 2.620 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177257294 527312768 /nfs/dbraw/zinc/31/27/68/527312768.db2.gz GPBZRDGVGSSSAF-UHFFFAOYSA-N 1 0 346.431 2.825 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193838814 527348976 /nfs/dbraw/zinc/34/89/76/527348976.db2.gz VNCJJYPYNOBFDT-MRXNPFEDSA-N 1 0 348.403 2.953 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)c1 ZINC000180853499 527394233 /nfs/dbraw/zinc/39/42/33/527394233.db2.gz IFJINPAEUYRJQV-APWZRJJASA-N 1 0 349.394 2.880 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120371772 527407413 /nfs/dbraw/zinc/40/74/13/527407413.db2.gz GBKXITQKZCQMHR-CQSZACIVSA-N 1 0 336.779 2.598 10 5 EFBERO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174030411 528165829 /nfs/dbraw/zinc/16/58/29/528165829.db2.gz CMINTNPNCLWBNO-LBPRGKRZSA-N 1 0 325.434 2.997 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126418 534942720 /nfs/dbraw/zinc/94/27/20/534942720.db2.gz KDYXVDNXYMHEAO-ZFWWWQNUSA-N 1 0 349.431 2.937 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418580386 535094315 /nfs/dbraw/zinc/09/43/15/535094315.db2.gz SQZRGLMCLTUBJI-BBRMVZONSA-N 1 0 334.420 2.513 10 5 EFBERO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000357000894 535898631 /nfs/dbraw/zinc/89/86/31/535898631.db2.gz WTCQAXHDOUIIGA-IJEWVQPXSA-N 1 0 334.420 2.681 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000360073986 535990460 /nfs/dbraw/zinc/99/04/60/535990460.db2.gz IBLWSNFOASOQNJ-UHFFFAOYSA-N 1 0 331.347 2.726 10 5 EFBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000425280723 536488763 /nfs/dbraw/zinc/48/87/63/536488763.db2.gz IHDNCWRGYSZISX-GXFFZTMASA-N 1 0 327.331 2.727 10 5 EFBERO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000355791728 536770845 /nfs/dbraw/zinc/77/08/45/536770845.db2.gz XOUNYSRWFMPUQR-JHJVBQTASA-N 1 0 335.404 2.908 10 5 EFBERO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000355791722 536770897 /nfs/dbraw/zinc/77/08/97/536770897.db2.gz XOUNYSRWFMPUQR-FRRDWIJNSA-N 1 0 335.404 2.908 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000754255469 575411559 /nfs/dbraw/zinc/41/15/59/575411559.db2.gz CBLRPHNZUKWQSA-MOJYJUKOSA-N 1 0 329.400 2.693 10 5 EFBERO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432526 575435735 /nfs/dbraw/zinc/43/57/35/575435735.db2.gz ZGZPKRUHDIWMBD-JKSUJKDBSA-N 1 0 332.404 2.719 10 5 EFBERO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432522 575435782 /nfs/dbraw/zinc/43/57/82/575435782.db2.gz ZGZPKRUHDIWMBD-HZPDHXFCSA-N 1 0 332.404 2.719 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000755055330 575535532 /nfs/dbraw/zinc/53/55/32/575535532.db2.gz VQAZMHXEPFLCHR-WYMLVPIESA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000755188024 575558540 /nfs/dbraw/zinc/55/85/40/575558540.db2.gz FCZSQHUOXSHDSI-DKGMDFAASA-N 1 0 331.416 2.845 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755197071 575559460 /nfs/dbraw/zinc/55/94/60/575559460.db2.gz DKHWJPNIRPCCHC-WSYSLRRZSA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000755308789 575572790 /nfs/dbraw/zinc/57/27/90/575572790.db2.gz ASRVQPLMUBNLML-MLFXKNMZSA-N 1 0 329.400 2.551 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@@H]1c1ccccc1 ZINC000758251266 575864879 /nfs/dbraw/zinc/86/48/79/575864879.db2.gz IPOOSSZYAIVCDG-DYVFJYSZSA-N 1 0 339.355 2.988 10 5 EFBERO C/C(=C/C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000760764894 576071652 /nfs/dbraw/zinc/07/16/52/576071652.db2.gz UBYBCQSDVYWICQ-FIPLFPIMSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C/C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000760764897 576071674 /nfs/dbraw/zinc/07/16/74/576071674.db2.gz UBYBCQSDVYWICQ-OMACXJQVSA-N 1 0 331.416 2.941 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514927 576173665 /nfs/dbraw/zinc/17/36/65/576173665.db2.gz OGNVJKGWRUKKNO-GXTWGEPZSA-N 1 0 337.807 2.739 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514930 576173779 /nfs/dbraw/zinc/17/37/79/576173779.db2.gz OGNVJKGWRUKKNO-JSGCOSHPSA-N 1 0 337.807 2.739 10 5 EFBERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000764466762 576461115 /nfs/dbraw/zinc/46/11/15/576461115.db2.gz QTAZDZDUAPMSCM-BXUZGUMPSA-N 1 0 337.807 2.739 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000765006842 576535565 /nfs/dbraw/zinc/53/55/65/576535565.db2.gz YYXAGZCMNZMRML-MAUKXSAKSA-N 1 0 327.384 2.588 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081866 577004803 /nfs/dbraw/zinc/00/48/03/577004803.db2.gz RDPKSMJUAXHQLV-CJNGLKHVSA-N 1 0 330.388 2.711 10 5 EFBERO CC[C@@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765408565 577038904 /nfs/dbraw/zinc/03/89/04/577038904.db2.gz AEFJQXRJKKABMM-QGZVFWFLSA-N 1 0 327.384 2.977 10 5 EFBERO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849311 577082487 /nfs/dbraw/zinc/08/24/87/577082487.db2.gz OCXUJOZZLLJAQM-HOTGVXAUSA-N 1 0 332.404 2.719 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC ZINC000768103469 577254549 /nfs/dbraw/zinc/25/45/49/577254549.db2.gz FPLAPGAPCGCTNW-XUSGNXJCSA-N 1 0 330.475 2.824 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3ccsc3)CC2)cc1 ZINC000769984321 577396501 /nfs/dbraw/zinc/39/65/01/577396501.db2.gz GSUSTISVFZIJKJ-QGZVFWFLSA-N 1 0 347.440 2.948 10 5 EFBERO Cc1cn2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc2n1 ZINC000726944523 577422569 /nfs/dbraw/zinc/42/25/69/577422569.db2.gz CNFWNCGWIWVYDQ-UHFFFAOYSA-N 1 0 344.302 2.708 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000772280637 581303576 /nfs/dbraw/zinc/30/35/76/581303576.db2.gz YYIGBHOIBMSWHI-LLVKDONJSA-N 1 0 325.796 2.580 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579665 581494597 /nfs/dbraw/zinc/49/45/97/581494597.db2.gz HKYPCINFYQQZEA-OLZOCXBDSA-N 1 0 336.461 2.604 10 5 EFBERO CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000774627717 581495628 /nfs/dbraw/zinc/49/56/28/581495628.db2.gz STYLZKSPBPYZKV-CYBMUJFWSA-N 1 0 349.822 2.724 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000774910510 581503991 /nfs/dbraw/zinc/50/39/91/581503991.db2.gz CFIMNSORQZUTMM-OCCSQVGLSA-N 1 0 335.360 2.752 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001691425026 1248784957 /nfs/dbraw/zinc/78/49/57/1248784957.db2.gz GEORQFYLGZKVBG-QNQQVFGPSA-N 1 0 343.427 2.936 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850494258 1250506849 /nfs/dbraw/zinc/50/68/49/1250506849.db2.gz ZVKYCZNCJYALSO-STFLBKPXSA-N 1 0 338.351 2.865 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccncc1Cl ZINC001691486826 1249428764 /nfs/dbraw/zinc/42/87/64/1249428764.db2.gz VXSQACKEQMEIFI-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO O=C(CCC1CC1)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691492485 1249616351 /nfs/dbraw/zinc/61/63/51/1249616351.db2.gz VMMDOHIBVUMPFZ-MQMHXKEQSA-N 1 0 337.445 2.831 10 5 EFBERO Cc1ccoc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001691201500 1248530974 /nfs/dbraw/zinc/53/09/74/1248530974.db2.gz MCFTZKAFVFUICP-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001691292635 1248610774 /nfs/dbraw/zinc/61/07/74/1248610774.db2.gz GVQBSNNCXRPRFU-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348511 1250443844 /nfs/dbraw/zinc/44/38/44/1250443844.db2.gz NRINBGFDUTWDIV-VYUBKGOISA-N 1 0 336.335 2.509 10 5 EFBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850539696 1250528577 /nfs/dbraw/zinc/52/85/77/1250528577.db2.gz FJGIODKBVHDYTD-NUTKFTJISA-N 1 0 343.431 2.973 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)C1(C2CC2)CC1 ZINC001484639553 1252769942 /nfs/dbraw/zinc/76/99/42/1252769942.db2.gz QZJKDMPLMIDNBF-UHFFFAOYSA-N 1 0 349.456 2.975 10 5 EFBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493142 1261777343 /nfs/dbraw/zinc/77/73/43/1261777343.db2.gz DUFYIVFCOBLOSV-PWSUYJOCSA-N 1 0 342.237 2.774 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)c1 ZINC000922725867 1266665696 /nfs/dbraw/zinc/66/56/96/1266665696.db2.gz QAZQPFWYZUJWNH-SKDZVZGDSA-N 1 0 344.367 2.748 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000922174376 1264750902 /nfs/dbraw/zinc/75/09/02/1264750902.db2.gz VFBZOLWAOFSXIX-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO Cc1cc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)nn1C ZINC000922689929 1266595760 /nfs/dbraw/zinc/59/57/60/1266595760.db2.gz QGOCGYBVOZBNBK-UHFFFAOYSA-N 1 0 340.330 2.570 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)cc1 ZINC000922726434 1266666252 /nfs/dbraw/zinc/66/62/52/1266666252.db2.gz UCJWWSXCWNHYST-SKDZVZGDSA-N 1 0 344.367 2.748 10 5 EFBERO CCCn1nccc1NC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001168733622 1266695160 /nfs/dbraw/zinc/69/51/60/1266695160.db2.gz MPXQRLKZFZZIHK-HNNXBMFYSA-N 1 0 345.403 2.881 10 5 EFBERO COC(=O)c1cnc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000922832447 1266953463 /nfs/dbraw/zinc/95/34/63/1266953463.db2.gz NWCFHFVIALKXGX-UHFFFAOYSA-N 1 0 349.412 2.787 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000828006064 1267561432 /nfs/dbraw/zinc/56/14/32/1267561432.db2.gz XYTLSFHFTYCTMG-JKSUJKDBSA-N 1 0 331.416 2.516 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000742412367 1270039937 /nfs/dbraw/zinc/03/99/37/1270039937.db2.gz PUNJFXNVONRXBM-RCOIXESOSA-N 1 0 333.388 2.676 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)CC2 ZINC000844160284 1278790428 /nfs/dbraw/zinc/79/04/28/1278790428.db2.gz GVKALAHZXKBQGS-HNNXBMFYSA-N 1 0 343.358 2.674 10 5 EFBERO O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338534 1278897189 /nfs/dbraw/zinc/89/71/89/1278897189.db2.gz QLUVDNPREBYHNY-PBHICJAKSA-N 1 0 345.399 2.757 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001143982882 1278989491 /nfs/dbraw/zinc/98/94/91/1278989491.db2.gz WBJIVMOOBJYNEU-GASCZTMLSA-N 1 0 348.447 2.728 10 5 EFBERO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669936 1276265413 /nfs/dbraw/zinc/26/54/13/1276265413.db2.gz GSSKMFULUQWRSY-LLVKDONJSA-N 1 0 327.388 2.738 10 5 EFBERO COc1cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922969992 1276432245 /nfs/dbraw/zinc/43/22/45/1276432245.db2.gz YNOPSKLONHIKQK-CYBMUJFWSA-N 1 0 336.388 2.890 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001136153817 1276544265 /nfs/dbraw/zinc/54/42/65/1276544265.db2.gz VTAMHNRNIIMZLI-LBPRGKRZSA-N 1 0 343.786 2.641 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000818968548 1276572549 /nfs/dbraw/zinc/57/25/49/1276572549.db2.gz UKIYJJOWNZLTMP-OAHLLOKOSA-N 1 0 338.310 2.705 10 5 EFBERO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819059801 1276587419 /nfs/dbraw/zinc/58/74/19/1276587419.db2.gz LBSFEDLOPBNEHE-SCLBCKFNSA-N 1 0 330.384 2.858 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819211884 1276691092 /nfs/dbraw/zinc/69/10/92/1276691092.db2.gz GGTYNUMSTXUENM-HNNXBMFYSA-N 1 0 339.754 2.648 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000819216368 1276694428 /nfs/dbraw/zinc/69/44/28/1276694428.db2.gz FOFDLDZAIQAPMV-OAHLLOKOSA-N 1 0 340.301 2.878 10 5 EFBERO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819262889 1276717515 /nfs/dbraw/zinc/71/75/15/1276717515.db2.gz YQPUKCWQQLFMAD-QAPCUYQASA-N 1 0 344.415 2.553 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2ccc([N+](=O)[O-])cc12 ZINC000789566069 1276816675 /nfs/dbraw/zinc/81/66/75/1276816675.db2.gz NVRNKZRREYJJGR-QGZVFWFLSA-N 1 0 330.388 2.713 10 5 EFBERO C[NH+](C)C[C@@H]1CCN(c2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC000585093016 1277186228 /nfs/dbraw/zinc/18/62/28/1277186228.db2.gz YHURDJYGBKJXRU-VIFPVBQESA-N 1 0 346.200 2.884 10 5 EFBERO O=[N+]([O-])c1cc(F)c(Cl)cc1NCCCC[NH+]1CCOCC1 ZINC000820629502 1277254295 /nfs/dbraw/zinc/25/42/95/1277254295.db2.gz LPFSLEXTEAHPQU-UHFFFAOYSA-N 1 0 331.775 2.912 10 5 EFBERO O=[N+]([O-])c1ccc(C2(c3nc([C@H]4CCC[NH2+]C4)no3)CCC2)cc1 ZINC000871787894 1287289063 /nfs/dbraw/zinc/28/90/63/1287289063.db2.gz GNSKYNQBVITEFJ-LBPRGKRZSA-N 1 0 328.372 2.915 10 5 EFBERO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)c1 ZINC000844915549 1279336500 /nfs/dbraw/zinc/33/65/00/1279336500.db2.gz GGKAUFOIPAXXBC-KGLIPLIRSA-N 1 0 344.371 2.780 10 5 EFBERO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844908903 1279358984 /nfs/dbraw/zinc/35/89/84/1279358984.db2.gz JVCYZYJLBKBFLS-OCCSQVGLSA-N 1 0 343.387 2.836 10 5 EFBERO C[NH+](C)CCN1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845465640 1279660315 /nfs/dbraw/zinc/66/03/15/1279660315.db2.gz MMNZENPUDUBBLQ-UHFFFAOYSA-N 1 0 344.818 2.825 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846016900 1279978072 /nfs/dbraw/zinc/97/80/72/1279978072.db2.gz KGMDDTJPUJNGHJ-KSSFIOAISA-N 1 0 335.448 2.950 10 5 EFBERO COc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846039689 1279996135 /nfs/dbraw/zinc/99/61/35/1279996135.db2.gz RBEXODODNLKAAY-FZKQIMNGSA-N 1 0 330.384 2.989 10 5 EFBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000846103626 1280035270 /nfs/dbraw/zinc/03/52/70/1280035270.db2.gz SFCXUSWSOSYRGA-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846216663 1280073446 /nfs/dbraw/zinc/07/34/46/1280073446.db2.gz SSPAOECXGMEKDM-XHDPSFHLSA-N 1 0 342.399 2.604 10 5 EFBERO CC(C)C[N@@H+]1CCO[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017817 1287400264 /nfs/dbraw/zinc/40/02/64/1287400264.db2.gz FHYSWOTYYNFRBZ-UONOGXRCSA-N 1 0 339.411 2.741 10 5 EFBERO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017858 1287401271 /nfs/dbraw/zinc/40/12/71/1287401271.db2.gz GDUPMRBVTGIRFL-QWHCGFSZSA-N 1 0 326.368 2.970 10 5 EFBERO C[C@H](NC[C@@H](O)COc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020233 1287401285 /nfs/dbraw/zinc/40/12/85/1287401285.db2.gz FXVUZJHDARROLF-QWHCGFSZSA-N 1 0 334.347 2.824 10 5 EFBERO C[C@@H](NC[C@@H](O)COc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020231 1287401613 /nfs/dbraw/zinc/40/16/13/1287401613.db2.gz FXVUZJHDARROLF-CHWSQXEVSA-N 1 0 334.347 2.824 10 5 EFBERO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872030251 1287405752 /nfs/dbraw/zinc/40/57/52/1287405752.db2.gz BTUZVMRJANVXON-QWRGUYRKSA-N 1 0 325.340 2.615 10 5 EFBERO C[C@H]([NH2+]CCCOC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049596 1287412276 /nfs/dbraw/zinc/41/22/76/1287412276.db2.gz UDQZKJJWEQSNNL-LBPRGKRZSA-N 1 0 326.368 2.970 10 5 EFBERO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063888 1287416152 /nfs/dbraw/zinc/41/61/52/1287416152.db2.gz UXFSUILOHHAKNI-LLVKDONJSA-N 1 0 332.397 2.599 10 5 EFBERO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062016 1287416799 /nfs/dbraw/zinc/41/67/99/1287416799.db2.gz JGHMDYGEMDSFTQ-RISCZKNCSA-N 1 0 326.368 2.562 10 5 EFBERO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872062684 1287416877 /nfs/dbraw/zinc/41/68/77/1287416877.db2.gz JEIXSMMYBLXQDR-JTQLQIEISA-N 1 0 336.392 2.929 10 5 EFBERO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062014 1287416932 /nfs/dbraw/zinc/41/69/32/1287416932.db2.gz JGHMDYGEMDSFTQ-BXUZGUMPSA-N 1 0 326.368 2.562 10 5 EFBERO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065564 1287417459 /nfs/dbraw/zinc/41/74/59/1287417459.db2.gz DNRUMIXCJJTFDS-UONOGXRCSA-N 1 0 339.411 2.885 10 5 EFBERO COC1([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872078602 1287422375 /nfs/dbraw/zinc/42/23/75/1287422375.db2.gz BYBAWBDNORCRPB-RYUDHWBXSA-N 1 0 326.368 2.969 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000872083397 1287423422 /nfs/dbraw/zinc/42/34/22/1287423422.db2.gz LSOSWWTWKSVBTP-IAQYHMDHSA-N 1 0 326.418 2.509 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000872083499 1287423784 /nfs/dbraw/zinc/42/37/84/1287423784.db2.gz LSOSWWTWKSVBTP-XHDPSFHLSA-N 1 0 326.418 2.509 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000805279461 1280501711 /nfs/dbraw/zinc/50/17/11/1280501711.db2.gz KOVDTCFOQQCNOX-UHFFFAOYSA-N 1 0 348.447 2.904 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872106313 1287430090 /nfs/dbraw/zinc/43/00/90/1287430090.db2.gz IHKHQNBQNTVUDH-IUODEOHRSA-N 1 0 335.404 2.717 10 5 EFBERO CC1(C)CO[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000872106671 1287430553 /nfs/dbraw/zinc/43/05/53/1287430553.db2.gz JTHJLOZJIBBZCU-QGZVFWFLSA-N 1 0 333.432 2.968 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872106314 1287430602 /nfs/dbraw/zinc/43/06/02/1287430602.db2.gz IHKHQNBQNTVUDH-SWLSCSKDSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872109755 1287431126 /nfs/dbraw/zinc/43/11/26/1287431126.db2.gz QTJQNVVIWJYBJN-OMNBBPDLSA-N 1 0 347.415 2.859 10 5 EFBERO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000872121630 1287435686 /nfs/dbraw/zinc/43/56/86/1287435686.db2.gz OFRGZPFMFLIQHN-KPGMEVQCSA-N 1 0 338.429 2.601 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000872223902 1287486017 /nfs/dbraw/zinc/48/60/17/1287486017.db2.gz OXKYWEJQYJQRNV-SJORKVTESA-N 1 0 334.416 2.957 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc([N+](=O)[O-])cc3ccccc31)C2 ZINC000872264418 1287507859 /nfs/dbraw/zinc/50/78/59/1287507859.db2.gz SMMXKLLWDNSRDW-KDURUIRLSA-N 1 0 339.395 2.820 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000872271022 1287513215 /nfs/dbraw/zinc/51/32/15/1287513215.db2.gz JGQULAHOHYLRRI-JTQLQIEISA-N 1 0 325.796 2.756 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000872280392 1287519143 /nfs/dbraw/zinc/51/91/43/1287519143.db2.gz RBFCQRLAKAYKMF-INIZCTEOSA-N 1 0 347.415 2.617 10 5 EFBERO Cn1c(Cl)cnc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808453096 1281717262 /nfs/dbraw/zinc/71/72/62/1281717262.db2.gz WMWCEZBLXOQARZ-UHFFFAOYSA-N 1 0 333.779 2.795 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872291779 1287525157 /nfs/dbraw/zinc/52/51/57/1287525157.db2.gz RNVXQNIFWYLQRC-GFCCVEGCSA-N 1 0 337.445 2.676 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808563287 1281797983 /nfs/dbraw/zinc/79/79/83/1281797983.db2.gz JZPMKBWIOXNLKU-NSHDSACASA-N 1 0 342.342 2.833 10 5 EFBERO COc1cc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000809734370 1282411319 /nfs/dbraw/zinc/41/13/19/1282411319.db2.gz BVFOEHACMGBPNE-UHFFFAOYSA-N 1 0 330.388 2.581 10 5 EFBERO [NH3+]CCN(Cc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000809734675 1282411685 /nfs/dbraw/zinc/41/16/85/1282411685.db2.gz NNFIPQXXMPKODD-UHFFFAOYSA-N 1 0 337.383 2.950 10 5 EFBERO [NH3+]CCN(Cc1ccnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735140 1282414167 /nfs/dbraw/zinc/41/41/67/1282414167.db2.gz YSFZXBGQLXTEBO-UHFFFAOYSA-N 1 0 337.383 2.746 10 5 EFBERO C[C@H](O)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000809792067 1282490635 /nfs/dbraw/zinc/49/06/35/1282490635.db2.gz GQMMGKOTEDPGSQ-JTQLQIEISA-N 1 0 346.412 2.918 10 5 EFBERO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001175991170 1287639375 /nfs/dbraw/zinc/63/93/75/1287639375.db2.gz CEQVEUTVNHGANM-NSHDSACASA-N 1 0 331.347 2.992 10 5 EFBERO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626555 1287644015 /nfs/dbraw/zinc/64/40/15/1287644015.db2.gz GZBUHTUQNASHDY-YGRLFVJLSA-N 1 0 331.347 2.970 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000810761698 1283607409 /nfs/dbraw/zinc/60/74/09/1283607409.db2.gz POTDBEORCRJURM-INIZCTEOSA-N 1 0 349.366 2.622 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCC2(SC)CC[NH+](C)CC2)c1 ZINC000811853662 1284693126 /nfs/dbraw/zinc/69/31/26/1284693126.db2.gz INNJWPNBTFJBNX-UHFFFAOYSA-N 1 0 343.424 2.982 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1CCOC1 ZINC000812290916 1285027933 /nfs/dbraw/zinc/02/79/33/1285027933.db2.gz IQZAISPKAKQKHZ-QGZVFWFLSA-N 1 0 330.388 2.915 10 5 EFBERO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000747818782 1285424954 /nfs/dbraw/zinc/42/49/54/1285424954.db2.gz MJWFYYUSCAAEPR-INIZCTEOSA-N 1 0 334.347 2.874 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831286 1285578405 /nfs/dbraw/zinc/57/84/05/1285578405.db2.gz LVICILGUUVPLQV-GJZGRUSLSA-N 1 0 344.415 2.959 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001133576394 1285634394 /nfs/dbraw/zinc/63/43/94/1285634394.db2.gz JOJXZCXMTQRTNC-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CSC[C@@]2(C)C1 ZINC001176803158 1288127351 /nfs/dbraw/zinc/12/73/51/1288127351.db2.gz CRQLAFDYVGRTLS-BLLLJJGKSA-N 1 0 335.429 2.527 10 5 EFBERO O=C(CC[N@@H+]1CCc2cc(O)ccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC001177015839 1288228114 /nfs/dbraw/zinc/22/81/14/1288228114.db2.gz QIORLWHGWVCODD-UHFFFAOYSA-N 1 0 341.367 2.687 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952712 1288336980 /nfs/dbraw/zinc/33/69/80/1288336980.db2.gz QKJOPOTYGPERTI-PRHODGIISA-N 1 0 344.198 2.678 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000816952711 1288337061 /nfs/dbraw/zinc/33/70/61/1288337061.db2.gz QKJOPOTYGPERTI-PELKAZGASA-N 1 0 344.198 2.678 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001136452969 1288737050 /nfs/dbraw/zinc/73/70/50/1288737050.db2.gz PBYAFLZZKMJJJY-CYBMUJFWSA-N 1 0 337.395 2.893 10 5 EFBERO CC(C)(CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N+](=O)[O-] ZINC000822231151 1288912301 /nfs/dbraw/zinc/91/23/01/1288912301.db2.gz BYXCRBGZXOXATQ-UHFFFAOYSA-N 1 0 333.432 2.734 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178870037 1288950709 /nfs/dbraw/zinc/95/07/09/1288950709.db2.gz XBFFOIJRDQDEFH-HNNXBMFYSA-N 1 0 337.395 2.513 10 5 EFBERO COc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823604900 1289381564 /nfs/dbraw/zinc/38/15/64/1289381564.db2.gz GDRILFOVGGUHNB-GOSISDBHSA-N 1 0 330.384 2.943 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001273501660 1290644299 /nfs/dbraw/zinc/64/42/99/1290644299.db2.gz NABRTMSXEQAHKD-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H]2C)cc1C ZINC001185565912 1290712307 /nfs/dbraw/zinc/71/23/07/1290712307.db2.gz WMNMTEWYIAYJDV-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001137108797 1290947949 /nfs/dbraw/zinc/94/79/49/1290947949.db2.gz NJNOWQWVTBDGFB-NSHDSACASA-N 1 0 325.796 2.805 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001186872769 1291030535 /nfs/dbraw/zinc/03/05/35/1291030535.db2.gz PVGRITZCFMROHG-HOTGVXAUSA-N 1 0 326.400 2.994 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534450 1312831959 /nfs/dbraw/zinc/83/19/59/1312831959.db2.gz FVIKBRAAFPVOHS-CHWSQXEVSA-N 1 0 347.337 2.705 10 5 EFBERO Cc1cccc([C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001167004919 1312879709 /nfs/dbraw/zinc/87/97/09/1312879709.db2.gz LXONHBILNFPIAB-IBGZPJMESA-N 1 0 341.411 2.759 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880506244 1292520636 /nfs/dbraw/zinc/52/06/36/1292520636.db2.gz ICBXDJIEKCXSAY-MJEQTWJJSA-N 1 0 333.388 2.613 10 5 EFBERO COC1([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC001195196400 1293843736 /nfs/dbraw/zinc/84/37/36/1293843736.db2.gz SFSFMSQKRCHJSR-LLVKDONJSA-N 1 0 332.360 2.692 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001274112761 1295463575 /nfs/dbraw/zinc/46/35/75/1295463575.db2.gz OULJKCNTFMVGOE-UPHRSURJSA-N 1 0 329.400 2.547 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001234568525 1313160497 /nfs/dbraw/zinc/16/04/97/1313160497.db2.gz FZGSPWRVBITLSO-QGZVFWFLSA-N 1 0 348.447 2.823 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000803854924 1313256293 /nfs/dbraw/zinc/25/62/93/1313256293.db2.gz ATSHTLSFPUPKFY-AWEZNQCLSA-N 1 0 336.388 2.781 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000803859938 1313266487 /nfs/dbraw/zinc/26/64/87/1313266487.db2.gz YZEADTBLEYLDGT-AWEZNQCLSA-N 1 0 336.388 2.781 10 5 EFBERO CC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000925764326 1296875456 /nfs/dbraw/zinc/87/54/56/1296875456.db2.gz YJVUXAQZJHYJBA-OLZOCXBDSA-N 1 0 342.237 2.978 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000930140943 1297239859 /nfs/dbraw/zinc/23/98/59/1297239859.db2.gz LOQKVRISACBIIW-KRWDZBQOSA-N 1 0 334.416 2.615 10 5 EFBERO Cc1ccc(OCC[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776275770 1297342043 /nfs/dbraw/zinc/34/20/43/1297342043.db2.gz KZJQXKORVHYNSK-SFHVURJKSA-N 1 0 330.384 2.947 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000931627306 1297358240 /nfs/dbraw/zinc/35/82/40/1297358240.db2.gz ZMIYUBZZHAYHGL-KOLCDFICSA-N 1 0 326.784 2.771 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903975305 1313522535 /nfs/dbraw/zinc/52/25/35/1313522535.db2.gz ZOASMQWRWKISJL-RDJZCZTQSA-N 1 0 347.459 2.664 10 5 EFBERO CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1[NH3+] ZINC000903985978 1313540706 /nfs/dbraw/zinc/54/07/06/1313540706.db2.gz DJCSCDLJLOTJHJ-CQSZACIVSA-N 1 0 332.429 2.887 10 5 EFBERO Cc1ccccc1[C@@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000796405328 1299329288 /nfs/dbraw/zinc/32/92/88/1299329288.db2.gz FTKVICVQIBIQSE-SFHVURJKSA-N 1 0 344.415 2.545 10 5 EFBERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851951625 1299482565 /nfs/dbraw/zinc/48/25/65/1299482565.db2.gz ZFPRNDZYJAZGHU-YPMHNXCESA-N 1 0 339.367 2.690 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351704 1299672406 /nfs/dbraw/zinc/67/24/06/1299672406.db2.gz SKVUJEKLYXOLTR-KCPJHIHWSA-N 1 0 342.823 2.904 10 5 EFBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590096 1299686976 /nfs/dbraw/zinc/68/69/76/1299686976.db2.gz CDXKCLZDFUJGLJ-FMEYXAORSA-N 1 0 342.395 2.952 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000776599373 1299705635 /nfs/dbraw/zinc/70/56/35/1299705635.db2.gz YJBMBNNHGBCLLK-GOSISDBHSA-N 1 0 327.384 2.903 10 5 EFBERO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242733 1300063553 /nfs/dbraw/zinc/06/35/53/1300063553.db2.gz WLAVYEXGVRYAPL-GHMZBOCLSA-N 1 0 341.795 2.532 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@@H](C2CCC2)C1 ZINC000853587880 1300181244 /nfs/dbraw/zinc/18/12/44/1300181244.db2.gz BBRAKIMKOKZALH-CYBMUJFWSA-N 1 0 331.372 2.972 10 5 EFBERO C[N@H+](C[C@H]1CC1(C)C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853627863 1300198831 /nfs/dbraw/zinc/19/88/31/1300198831.db2.gz IBAJISBOHILWIS-ZBFHGGJFSA-N 1 0 331.416 2.846 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000853906710 1300333990 /nfs/dbraw/zinc/33/39/90/1300333990.db2.gz ORLYGSKOOSQMGP-BRLPQQTGSA-N 1 0 333.388 2.677 10 5 EFBERO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853964865 1300367082 /nfs/dbraw/zinc/36/70/82/1300367082.db2.gz CMUKJBQEDAOCQJ-CYBMUJFWSA-N 1 0 339.823 2.592 10 5 EFBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548786 1300415139 /nfs/dbraw/zinc/41/51/39/1300415139.db2.gz ZOHCONONXFOYGA-SMDDNHRTSA-N 1 0 337.807 2.852 10 5 EFBERO CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000854184844 1300464425 /nfs/dbraw/zinc/46/44/25/1300464425.db2.gz JOHNAKUXSAGRFY-NSHDSACASA-N 1 0 326.784 2.806 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000795285763 1300618528 /nfs/dbraw/zinc/61/85/28/1300618528.db2.gz YVCPZYYUKQMTIC-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854735834 1300682486 /nfs/dbraw/zinc/68/24/86/1300682486.db2.gz YBPRCHNHWKQFIA-LJQBUTKESA-N 1 0 343.427 2.942 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000855363158 1300928983 /nfs/dbraw/zinc/92/89/83/1300928983.db2.gz ZCLAYOMZCQSZIA-LLVKDONJSA-N 1 0 325.796 2.723 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489874 1300978370 /nfs/dbraw/zinc/97/83/70/1300978370.db2.gz CDXRIVOVYZNSBY-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824660 1301589823 /nfs/dbraw/zinc/58/98/23/1301589823.db2.gz CMQYCJSIUYHJNB-SPTRTOBYSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824662 1301590458 /nfs/dbraw/zinc/59/04/58/1301590458.db2.gz CMQYCJSIUYHJNB-VGAUDOQQSA-N 1 0 341.795 2.588 10 5 EFBERO CCN(C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000861892097 1302234749 /nfs/dbraw/zinc/23/47/49/1302234749.db2.gz AXGKPTOYPHYHIG-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862020998 1302266292 /nfs/dbraw/zinc/26/62/92/1302266292.db2.gz ZKZISPGUEYAUDP-AWEZNQCLSA-N 1 0 327.384 2.914 10 5 EFBERO Cc1cccc2c1C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000863569279 1302654261 /nfs/dbraw/zinc/65/42/61/1302654261.db2.gz SZNWRRHJMVRQNI-WMLDXEAASA-N 1 0 328.368 2.530 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865693862 1303368130 /nfs/dbraw/zinc/36/81/30/1303368130.db2.gz RJNKDXXKDBZDAY-OADFYJJDSA-N 1 0 340.326 2.709 10 5 EFBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000865790526 1303401071 /nfs/dbraw/zinc/40/10/71/1303401071.db2.gz AGRSJXLAZFKEJX-UHFFFAOYSA-N 1 0 349.406 2.611 10 5 EFBERO C[NH+]1CCC2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CC1 ZINC000866054414 1303504783 /nfs/dbraw/zinc/50/47/83/1303504783.db2.gz AXWTYJOPXACSCS-UHFFFAOYSA-N 1 0 337.395 2.538 10 5 EFBERO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC1(C)C ZINC000866112706 1303529824 /nfs/dbraw/zinc/52/98/24/1303529824.db2.gz JWLAVZPFVAFXGQ-UHFFFAOYSA-N 1 0 332.326 2.929 10 5 EFBERO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000866209788 1303564228 /nfs/dbraw/zinc/56/42/28/1303564228.db2.gz WBCMGMYBPCIILH-UKRRQHHQSA-N 1 0 326.400 2.982 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@H]21 ZINC000866208854 1303564311 /nfs/dbraw/zinc/56/43/11/1303564311.db2.gz OZBHALXOJMAWPP-CMPLNLGQSA-N 1 0 327.331 2.727 10 5 EFBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOc1ncccc1F ZINC000866307438 1303598294 /nfs/dbraw/zinc/59/82/94/1303598294.db2.gz AFQKPBARIXGWGG-LLVKDONJSA-N 1 0 337.326 2.868 10 5 EFBERO COc1ccnc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1F ZINC000866390901 1303620553 /nfs/dbraw/zinc/62/05/53/1303620553.db2.gz VRFGGEQVHJPHLM-SNVBAGLBSA-N 1 0 337.326 2.997 10 5 EFBERO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000866413233 1303628537 /nfs/dbraw/zinc/62/85/37/1303628537.db2.gz QKDIZNOMETZNDH-GUYCJALGSA-N 1 0 347.459 2.752 10 5 EFBERO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866572524 1303692811 /nfs/dbraw/zinc/69/28/11/1303692811.db2.gz BTVNJTZVOWLZRW-LBPRGKRZSA-N 1 0 339.399 2.957 10 5 EFBERO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866572523 1303692857 /nfs/dbraw/zinc/69/28/57/1303692857.db2.gz BTVNJTZVOWLZRW-GFCCVEGCSA-N 1 0 339.399 2.957 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866724281 1303767062 /nfs/dbraw/zinc/76/70/62/1303767062.db2.gz MRAPOYFECHVAKP-OLZOCXBDSA-N 1 0 340.221 2.684 10 5 EFBERO Cc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000868164110 1304164319 /nfs/dbraw/zinc/16/43/19/1304164319.db2.gz JDXZEGVXGMXDFT-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868342059 1304252930 /nfs/dbraw/zinc/25/29/30/1304252930.db2.gz VJXQDJUUKDITBQ-CWRNSKLLSA-N 1 0 346.431 2.700 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000868385034 1304271759 /nfs/dbraw/zinc/27/17/59/1304271759.db2.gz ZYKVFPSCCNCRSA-ZDUSSCGKSA-N 1 0 336.436 2.679 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 ZINC000870506924 1305367494 /nfs/dbraw/zinc/36/74/94/1305367494.db2.gz FHAORASGQQLJTC-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870569559 1305403836 /nfs/dbraw/zinc/40/38/36/1305403836.db2.gz CESUQDOIXYUFBJ-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870571353 1305405050 /nfs/dbraw/zinc/40/50/50/1305405050.db2.gz YPDRUJWIMBPKCP-YFHOEESVSA-N 1 0 331.416 2.941 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870862317 1305636820 /nfs/dbraw/zinc/63/68/20/1305636820.db2.gz ORTIHDRWNLDRLE-UHFFFAOYSA-N 1 0 337.807 2.739 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871157472 1305853584 /nfs/dbraw/zinc/85/35/84/1305853584.db2.gz OKVWPYFYJAEPCX-UHFFFAOYSA-N 1 0 349.431 2.938 10 5 EFBERO C[N@@H+]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1(C)C ZINC000871159298 1305855304 /nfs/dbraw/zinc/85/53/04/1305855304.db2.gz QXAQXJDQRKJLOA-UHFFFAOYSA-N 1 0 345.443 2.959 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901017058 1309201461 /nfs/dbraw/zinc/20/14/61/1309201461.db2.gz PQKPFYWIUAPALB-SWLSCSKDSA-N 1 0 337.807 2.881 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC000901317384 1310129225 /nfs/dbraw/zinc/12/92/25/1310129225.db2.gz JCIVNMVGQUCPET-LSDHHAIUSA-N 1 0 329.400 2.809 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1-c1cc(C[NH+]3CCCCC3)on1)OCO2 ZINC000901397888 1310338906 /nfs/dbraw/zinc/33/89/06/1310338906.db2.gz GRGLSUHSOFTFBR-UHFFFAOYSA-N 1 0 331.328 2.964 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000749688135 1311037542 /nfs/dbraw/zinc/03/75/42/1311037542.db2.gz JQYBOSXLTRGKKM-IBGZPJMESA-N 1 0 341.411 2.887 10 5 EFBERO CC[NH+]1CCC(CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751460124 1311120285 /nfs/dbraw/zinc/12/02/85/1311120285.db2.gz HJDFJNNZAFNHPX-WYMLVPIESA-N 1 0 331.416 2.846 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752387532 1311154343 /nfs/dbraw/zinc/15/43/43/1311154343.db2.gz GSLYKWYLLXTNGB-WCRPCQDQSA-N 1 0 331.416 2.989 10 5 EFBERO O=C(CCC1CC1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001276955742 1311359125 /nfs/dbraw/zinc/35/91/25/1311359125.db2.gz KRTKZCOKEKZRBE-WKILWMFISA-N 1 0 331.416 2.769 10 5 EFBERO C/C(=C/C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000802135620 1311381680 /nfs/dbraw/zinc/38/16/80/1311381680.db2.gz ZSUJNANCMBXFAH-OOXMNIKJSA-N 1 0 348.399 2.651 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC001276991688 1311425565 /nfs/dbraw/zinc/42/55/65/1311425565.db2.gz LSOXAKBTLGLJPE-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC001159012686 1311433486 /nfs/dbraw/zinc/43/34/86/1311433486.db2.gz RXYITRYQQOPABY-UHFFFAOYSA-N 1 0 349.431 2.520 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001159143247 1311459502 /nfs/dbraw/zinc/45/95/02/1311459502.db2.gz YQPJWEZHDHOLPQ-WBVHZDCISA-N 1 0 346.431 2.633 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001159518887 1311532453 /nfs/dbraw/zinc/53/24/53/1311532453.db2.gz NVFXXPPZPDLSGU-UHFFFAOYSA-N 1 0 346.431 2.683 10 5 EFBERO CNc1nccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC001161419748 1311883655 /nfs/dbraw/zinc/88/36/55/1311883655.db2.gz NWBXAINBDDKQFS-UHFFFAOYSA-N 1 0 343.387 2.654 10 5 EFBERO CC[C@@H](c1ccccc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001162626624 1312139052 /nfs/dbraw/zinc/13/90/52/1312139052.db2.gz ZZYARIZLNRPKKI-HNNXBMFYSA-N 1 0 329.404 2.602 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@H]([NH+](C)C)C3(C)C)c2c1 ZINC001163572250 1312339963 /nfs/dbraw/zinc/33/99/63/1312339963.db2.gz VSPHHLVGLVESEE-CVEARBPZSA-N 1 0 344.415 2.714 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC001163885047 1312401914 /nfs/dbraw/zinc/40/19/14/1312401914.db2.gz OJHONGDQNNQNIW-FRRDWIJNSA-N 1 0 337.395 2.779 10 5 EFBERO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC001163926058 1312408678 /nfs/dbraw/zinc/40/86/78/1312408678.db2.gz YWLRZBWPZXREJW-OJXHRBAXSA-N 1 0 331.416 2.797 10 5 EFBERO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903156656 1312415778 /nfs/dbraw/zinc/41/57/78/1312415778.db2.gz WZZNXACCOHRDPM-VEAWUBTESA-N 1 0 340.445 2.849 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903179550 1312435283 /nfs/dbraw/zinc/43/52/83/1312435283.db2.gz QEMNJJPWHCRWCH-PLMOITTCSA-N 1 0 333.310 2.938 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001164124942 1312452482 /nfs/dbraw/zinc/45/24/82/1312452482.db2.gz ROYGLUDNUGPGIP-HOCLYGCPSA-N 1 0 344.440 2.557 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001164124943 1312452647 /nfs/dbraw/zinc/45/26/47/1312452647.db2.gz ROYGLUDNUGPGIP-ZBFHGGJFSA-N 1 0 344.440 2.557 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001164190576 1312465164 /nfs/dbraw/zinc/46/51/64/1312465164.db2.gz FOZDYNDZLSCKIY-OAHLLOKOSA-N 1 0 341.367 2.532 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903211085 1312466020 /nfs/dbraw/zinc/46/60/20/1312466020.db2.gz RACGIYLCJLJJKP-NEPJUHHUSA-N 1 0 337.445 2.836 10 5 EFBERO CN1C[C@H](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903215174 1312469918 /nfs/dbraw/zinc/46/99/18/1312469918.db2.gz ZEFPMUHDUJQXDA-WBMJQRKESA-N 1 0 331.416 2.775 10 5 EFBERO NC(=O)CC1CC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000903261646 1312517454 /nfs/dbraw/zinc/51/74/54/1312517454.db2.gz ZRYMNWDBFTULRO-ZVYVSMAVSA-N 1 0 339.395 2.928 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](CCF)C1 ZINC001261655406 1316422937 /nfs/dbraw/zinc/42/29/37/1316422937.db2.gz VSEGNBKPUNCFPD-PBHICJAKSA-N 1 0 349.406 2.940 10 5 EFBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262376998 1316464891 /nfs/dbraw/zinc/46/48/91/1316464891.db2.gz JCKRQRUMTVJJLD-KKUMJFAQSA-N 1 0 331.416 2.964 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001263630501 1316552733 /nfs/dbraw/zinc/55/27/33/1316552733.db2.gz OBLWBMUENYOALY-GAFUQQFSSA-N 1 0 338.795 2.710 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001263637772 1316553041 /nfs/dbraw/zinc/55/30/41/1316553041.db2.gz BFIJMRCNRWFIGY-UFGOTCBOSA-N 1 0 338.795 2.710 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264416305 1316614320 /nfs/dbraw/zinc/61/43/20/1316614320.db2.gz VFRBEBVIEWWWCB-HAQNSBGRSA-N 1 0 345.321 2.532 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC001264523340 1316628513 /nfs/dbraw/zinc/62/85/13/1316628513.db2.gz MTYMYTNTCJEALD-KRWDZBQOSA-N 1 0 348.447 2.785 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC001264523341 1316628565 /nfs/dbraw/zinc/62/85/65/1316628565.db2.gz MTYMYTNTCJEALD-QGZVFWFLSA-N 1 0 348.447 2.785 10 5 EFBERO CC(C)OCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001318625584 1328654971 /nfs/dbraw/zinc/65/49/71/1328654971.db2.gz CONWDBQMGFEJEM-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CC[N@H+](CCCNC(=O)C1CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001265106235 1316722036 /nfs/dbraw/zinc/72/20/36/1316722036.db2.gz IBVVXGPCVAUETK-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CCC(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001265466900 1316809579 /nfs/dbraw/zinc/80/95/79/1316809579.db2.gz BRRVQQJPMWYPKJ-JOCQHMNTSA-N 1 0 325.434 2.829 10 5 EFBERO Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001265875186 1316900058 /nfs/dbraw/zinc/90/00/58/1316900058.db2.gz YYDPLHCBVVZZGW-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001266025459 1316959115 /nfs/dbraw/zinc/95/91/15/1316959115.db2.gz MBPVCFXPTSGPSA-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC[N@H+](CCCNC(=O)c1[nH]ccc1C)Cc1ccccc1[N+](=O)[O-] ZINC001266037996 1316967895 /nfs/dbraw/zinc/96/78/95/1316967895.db2.gz BUDQZPBRDXIYSZ-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001281293315 1318150975 /nfs/dbraw/zinc/15/09/75/1318150975.db2.gz PBOYPPCCIMOBGY-QZTJIDSGSA-N 1 0 345.443 2.720 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001284530228 1320406199 /nfs/dbraw/zinc/40/61/99/1320406199.db2.gz RBCLDMWLUCKSSS-UHFFFAOYSA-N 1 0 346.387 2.565 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001293606900 1322297708 /nfs/dbraw/zinc/29/77/08/1322297708.db2.gz ORGVPEODBFEXDD-AWEZNQCLSA-N 1 0 349.406 2.990 10 5 EFBERO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001294339562 1322456122 /nfs/dbraw/zinc/45/61/22/1322456122.db2.gz UDFAYABBBCGHDV-UHFFFAOYSA-N 1 0 342.827 2.682 10 5 EFBERO C[NH+](C)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001294471201 1322490254 /nfs/dbraw/zinc/49/02/54/1322490254.db2.gz BMMMAIURSIYGQU-UHFFFAOYSA-N 1 0 342.399 2.717 10 5 EFBERO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001295035672 1322621856 /nfs/dbraw/zinc/62/18/56/1322621856.db2.gz BZPOKNIJCOHTOI-LBPRGKRZSA-N 1 0 339.823 2.986 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987707 1322836697 /nfs/dbraw/zinc/83/66/97/1322836697.db2.gz BQGPTASDWNAGNG-AWEZNQCLSA-N 1 0 331.376 2.530 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001296128955 1322856839 /nfs/dbraw/zinc/85/68/39/1322856839.db2.gz XGNSFKMFDGZGAF-CYBMUJFWSA-N 1 0 342.399 2.746 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001299821863 1323708614 /nfs/dbraw/zinc/70/86/14/1323708614.db2.gz MESACNNASQYALK-ZIAGYGMSSA-N 1 0 339.823 2.636 10 5 EFBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC001492226032 1324361996 /nfs/dbraw/zinc/36/19/96/1324361996.db2.gz IFGRZGPPPXWATR-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CC(C)c1nocc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492278615 1324395752 /nfs/dbraw/zinc/39/57/52/1324395752.db2.gz PSWZXQOFMJHCBP-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)cc1Cl ZINC001303479266 1324607152 /nfs/dbraw/zinc/60/71/52/1324607152.db2.gz WMYRNXLNVJDZCZ-GFCCVEGCSA-N 1 0 339.823 2.970 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC001306057587 1324696412 /nfs/dbraw/zinc/69/64/12/1324696412.db2.gz QIHVOMDSOHIPPE-LLVKDONJSA-N 1 0 325.796 2.723 10 5 EFBERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840681 1324723670 /nfs/dbraw/zinc/72/36/70/1324723670.db2.gz TZZSTUQBXAYTHV-XHDPSFHLSA-N 1 0 346.387 2.750 10 5 EFBERO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306931470 1324732693 /nfs/dbraw/zinc/73/26/93/1324732693.db2.gz XKRVRJYBBGXUMN-NXEZZACHSA-N 1 0 349.357 2.879 10 5 EFBERO COc1cccc(C[C@H]2CN(c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001307236751 1324753868 /nfs/dbraw/zinc/75/38/68/1324753868.db2.gz OPPDSCVAPNVBOJ-INIZCTEOSA-N 1 0 341.411 2.933 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)CCC2 ZINC001307635282 1324774222 /nfs/dbraw/zinc/77/42/22/1324774222.db2.gz LJUKBKGACULUFE-CYBMUJFWSA-N 1 0 327.384 2.596 10 5 EFBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307632496 1324774700 /nfs/dbraw/zinc/77/47/00/1324774700.db2.gz XFJYROFNNYSUKW-GHMZBOCLSA-N 1 0 342.237 2.882 10 5 EFBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001307709923 1324777833 /nfs/dbraw/zinc/77/78/33/1324777833.db2.gz IJLPZAYPIWADGV-SJCJKPOMSA-N 1 0 346.387 2.628 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308099355 1324793217 /nfs/dbraw/zinc/79/32/17/1324793217.db2.gz GBKZCCVEGUWNHU-OAHLLOKOSA-N 1 0 336.392 2.665 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308150994 1324797149 /nfs/dbraw/zinc/79/71/49/1324797149.db2.gz XJRWAICNWSGXRF-INIZCTEOSA-N 1 0 347.459 2.969 10 5 EFBERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000851908184 1324832894 /nfs/dbraw/zinc/83/28/94/1324832894.db2.gz ZWQOSXGUECHQCD-SMDDNHRTSA-N 1 0 346.320 2.830 10 5 EFBERO CCC[N@H+](CCNC(=O)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001317539545 1325006998 /nfs/dbraw/zinc/00/69/98/1325006998.db2.gz WQIBVQXZDFOXSV-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001313354292 1325013044 /nfs/dbraw/zinc/01/30/44/1325013044.db2.gz YNEIZORMYGGCEO-LSDHHAIUSA-N 1 0 348.447 2.824 10 5 EFBERO C[N@H+](CCCNC(=O)CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001316821216 1325173424 /nfs/dbraw/zinc/17/34/24/1325173424.db2.gz VBECNFACUJVEFD-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC001316823802 1325177126 /nfs/dbraw/zinc/17/71/26/1325177126.db2.gz PZUVRZHSBRNUKI-QZTJIDSGSA-N 1 0 345.443 2.557 10 5 EFBERO O=C(/C=C\c1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317072707 1325542130 /nfs/dbraw/zinc/54/21/30/1325542130.db2.gz YSMZBMGNIUGQRO-BDLDJCAYSA-N 1 0 341.367 2.638 10 5 EFBERO CCCSCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001317103741 1325573052 /nfs/dbraw/zinc/57/30/52/1325573052.db2.gz RZHQPZJGBHAUCB-TXEJJXNPSA-N 1 0 343.474 2.536 10 5 EFBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001320956881 1329324568 /nfs/dbraw/zinc/32/45/68/1329324568.db2.gz RFBGWMRLHCAYFB-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001320957084 1329324638 /nfs/dbraw/zinc/32/46/38/1329324638.db2.gz PYANTZOWBDXNQF-ONEGZZNKSA-N 1 0 343.358 2.810 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])oc1C ZINC001321025554 1329332657 /nfs/dbraw/zinc/33/26/57/1329332657.db2.gz SJAYWCSXIUAZRI-AATRIKPKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(CCC1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001317210252 1327749410 /nfs/dbraw/zinc/74/94/10/1327749410.db2.gz NYPBAGQZFMMWGW-DZFIZOCASA-N 1 0 343.427 2.722 10 5 EFBERO CCc1occc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001317584197 1328162860 /nfs/dbraw/zinc/16/28/60/1328162860.db2.gz XEVCOPGMRCUMOD-UHFFFAOYSA-N 1 0 337.401 2.674 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC001323385797 1329539872 /nfs/dbraw/zinc/53/98/72/1329539872.db2.gz XHALBMCDJPNMCQ-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO C/C=C(/C)C(=O)N(C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001327203835 1330442200 /nfs/dbraw/zinc/44/22/00/1330442200.db2.gz YGZULUZCKWOPHE-XGICHPGQSA-N 1 0 325.434 2.903 10 5 EFBERO CC/C=C\CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001328503356 1330597963 /nfs/dbraw/zinc/59/79/63/1330597963.db2.gz JWONULZQVXLQGX-NMBNSIPYSA-N 1 0 349.475 2.713 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001329348373 1330697268 /nfs/dbraw/zinc/69/72/68/1330697268.db2.gz FARIKJIHEAGRQE-IUCAKERBSA-N 1 0 335.330 2.632 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC001329578535 1330720297 /nfs/dbraw/zinc/72/02/97/1330720297.db2.gz NAOXFFKBFJDQCI-UHFFFAOYSA-N 1 0 349.406 2.611 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC001331867106 1330883008 /nfs/dbraw/zinc/88/30/08/1330883008.db2.gz BNTMGWNQYYEIEH-TZMCWYRMSA-N 1 0 327.384 2.961 10 5 EFBERO COC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001333095027 1331077421 /nfs/dbraw/zinc/07/74/21/1331077421.db2.gz ZEGFHNUNIXDMBT-GJZGRUSLSA-N 1 0 335.404 2.975 10 5 EFBERO CC(=O)c1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001333825901 1331220568 /nfs/dbraw/zinc/22/05/68/1331220568.db2.gz JNCIJNJQJRFWKX-KKUMJFAQSA-N 1 0 331.416 2.964 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3c4cc(Cl)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC001335527188 1331368109 /nfs/dbraw/zinc/36/81/09/1331368109.db2.gz KCTUHRPNAJMHKH-BMIGLBTASA-N 1 0 332.791 2.937 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N@@H+]1CCO[C@H](C)C1 ZINC001338203144 1331671814 /nfs/dbraw/zinc/67/18/14/1331671814.db2.gz SRHYAHQSZUZOGY-IKESIWSLSA-N 1 0 348.399 2.652 10 5 EFBERO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110374 1332600260 /nfs/dbraw/zinc/60/02/60/1332600260.db2.gz PXMFCBATMMNYQJ-IRXDYDNUSA-N 1 0 334.347 2.745 10 5 EFBERO C[N@@H+]1C[C@@H]2CCCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001347251233 1332728065 /nfs/dbraw/zinc/72/80/65/1332728065.db2.gz CCNUOAOEVHYKBU-IINYFYTJSA-N 1 0 347.806 2.722 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC3(CC3(F)F)C1)OCCO2 ZINC001347359516 1332737317 /nfs/dbraw/zinc/73/73/17/1332737317.db2.gz ZVGSRBJRMQSKHC-UHFFFAOYSA-N 1 0 326.299 2.643 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001347388379 1332739890 /nfs/dbraw/zinc/73/98/90/1332739890.db2.gz ORTBMOQLBAZYCK-ZDUSSCGKSA-N 1 0 347.415 2.692 10 5 EFBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C1CCCC1 ZINC001347388328 1332739982 /nfs/dbraw/zinc/73/99/82/1332739982.db2.gz NEZXKKGAILAXBM-GFCCVEGCSA-N 1 0 335.379 2.823 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001347718226 1332768573 /nfs/dbraw/zinc/76/85/73/1332768573.db2.gz YFPQUGGHMVZCKF-BFHYXJOUSA-N 1 0 332.404 2.673 10 5 EFBERO CC1(C)CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848482394 1334738600 /nfs/dbraw/zinc/73/86/00/1334738600.db2.gz OMOVBVJAQVMMOG-HNNXBMFYSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@H]1CCSCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485851 1334742237 /nfs/dbraw/zinc/74/22/37/1334742237.db2.gz YWNIFGQQPUEMAI-XJKSGUPXSA-N 1 0 349.456 2.696 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000848487002 1334742873 /nfs/dbraw/zinc/74/28/73/1334742873.db2.gz PDHXXZUZUSVSOM-AEFFLSMTSA-N 1 0 343.427 2.990 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000848489170 1334745773 /nfs/dbraw/zinc/74/57/73/1334745773.db2.gz QRLUPJNFBMQGMC-SJLPKXTDSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@H]1CC(C)(C)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489493 1334746090 /nfs/dbraw/zinc/74/60/90/1334746090.db2.gz VNEFHGOTMQMLLZ-BBRMVZONSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(C2CC2)CC1 ZINC000848491805 1334747946 /nfs/dbraw/zinc/74/79/46/1334747946.db2.gz ZJHXMOHBLBSFOX-GOSISDBHSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@@H]1CCCN(C(=[NH2+])NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000849081408 1335071852 /nfs/dbraw/zinc/07/18/52/1335071852.db2.gz XCYIAGOSMTTZRO-GFCCVEGCSA-N 1 0 329.404 2.875 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C ZINC001358022173 1335355292 /nfs/dbraw/zinc/35/52/92/1335355292.db2.gz JFHZSADDUSZZLL-GJZGRUSLSA-N 1 0 345.443 2.958 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492902165 1362688684 /nfs/dbraw/zinc/68/86/84/1362688684.db2.gz CASPXVBKEACDKD-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC001458220846 1395426230 /nfs/dbraw/zinc/42/62/30/1395426230.db2.gz QZFYCFQYLIRSPX-CQSZACIVSA-N 1 0 337.395 2.903 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)cc1C ZINC001458445704 1395470394 /nfs/dbraw/zinc/47/03/94/1395470394.db2.gz YFYRNBHLIFNEDY-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1(C)C ZINC001458449843 1395471437 /nfs/dbraw/zinc/47/14/37/1395471437.db2.gz FWRABMUJVOSAPY-WDEREUQCSA-N 1 0 343.225 2.893 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001458835404 1395614479 /nfs/dbraw/zinc/61/44/79/1395614479.db2.gz HLFOYFDAGACMNS-KBPBESRZSA-N 1 0 346.431 2.681 10 5 EFBERO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001459362538 1395825329 /nfs/dbraw/zinc/82/53/29/1395825329.db2.gz MMWZSHJNHKQSPD-UHFFFAOYSA-N 1 0 346.431 2.865 10 5 EFBERO CCN(CCCO)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001459574121 1395942536 /nfs/dbraw/zinc/94/25/36/1395942536.db2.gz BAXWTRJVIZFJGB-UHFFFAOYSA-N 1 0 340.767 2.503 10 5 EFBERO C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC001459841851 1395986474 /nfs/dbraw/zinc/98/64/74/1395986474.db2.gz IDPFOSZBMYNQPA-NSHDSACASA-N 1 0 327.340 2.891 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](CCO)CC2)o1 ZINC001460260055 1396016626 /nfs/dbraw/zinc/01/66/26/1396016626.db2.gz YAPCLHKCNMDYMU-CYBMUJFWSA-N 1 0 346.387 2.629 10 5 EFBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC001460575524 1396222718 /nfs/dbraw/zinc/22/27/18/1396222718.db2.gz PJJYREIOWSHLHA-NZVBXONLSA-N 1 0 332.360 2.775 10 5 EFBERO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001460736120 1396249185 /nfs/dbraw/zinc/24/91/85/1396249185.db2.gz OZEFTZOMWOMVTP-SNVBAGLBSA-N 1 0 347.350 2.512 10 5 EFBERO O=C(CC[NH2+]CC1(C2(O)CCC2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001460749885 1396250629 /nfs/dbraw/zinc/25/06/29/1396250629.db2.gz UMPXDVXQFVZONB-UHFFFAOYSA-N 1 0 347.415 2.598 10 5 EFBERO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001460759926 1396251500 /nfs/dbraw/zinc/25/15/00/1396251500.db2.gz VBJYPYSRSOSREU-GFCCVEGCSA-N 1 0 342.355 2.594 10 5 EFBERO CCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001463716507 1396515214 /nfs/dbraw/zinc/51/52/14/1396515214.db2.gz HWNYBLZMSJHCBV-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001464974121 1396635720 /nfs/dbraw/zinc/63/57/20/1396635720.db2.gz PVMQHONLNYWZMF-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001467828145 1396902423 /nfs/dbraw/zinc/90/24/23/1396902423.db2.gz BJLZBWCPZYKDJX-NSHDSACASA-N 1 0 343.786 2.992 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001468649627 1396975858 /nfs/dbraw/zinc/97/58/58/1396975858.db2.gz HTOYJLRFRYBNCV-LBPRGKRZSA-N 1 0 344.415 2.789 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001469604756 1397042208 /nfs/dbraw/zinc/04/22/08/1397042208.db2.gz DPOHQYQZFFCIGC-BETUJISGSA-N 1 0 346.431 2.724 10 5 EFBERO Cc1c(CC(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001469619393 1397044907 /nfs/dbraw/zinc/04/49/07/1397044907.db2.gz UJTBYMHCUFCEQY-INIZCTEOSA-N 1 0 333.432 2.634 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001470108222 1397074170 /nfs/dbraw/zinc/07/41/70/1397074170.db2.gz ZKXZAAMFOKXMHB-CYBMUJFWSA-N 1 0 337.395 2.893 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472055705 1397241125 /nfs/dbraw/zinc/24/11/25/1397241125.db2.gz BXYCSKHWINGZCA-INIZCTEOSA-N 1 0 346.431 2.629 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472055706 1397241307 /nfs/dbraw/zinc/24/13/07/1397241307.db2.gz BXYCSKHWINGZCA-MRXNPFEDSA-N 1 0 346.431 2.629 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001472350300 1397256683 /nfs/dbraw/zinc/25/66/83/1397256683.db2.gz USRKQHWCIQHIMD-BFHYXJOUSA-N 1 0 349.406 2.845 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC001472654833 1397266668 /nfs/dbraw/zinc/26/66/68/1397266668.db2.gz NCGJSCZJJPKDAQ-ZDUSSCGKSA-N 1 0 347.415 2.976 10 5 EFBERO C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001473784754 1397331952 /nfs/dbraw/zinc/33/19/52/1397331952.db2.gz FBVDOJFLQJZUHT-NSHDSACASA-N 1 0 327.340 2.891 10 5 EFBERO CC[N@H+](CCCNC(=O)c1nocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479857549 1397958827 /nfs/dbraw/zinc/95/88/27/1397958827.db2.gz GIOPUBUUCXDCIU-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480152298 1398128970 /nfs/dbraw/zinc/12/89/70/1398128970.db2.gz RNUSNNXZBKTPAI-OUJSNVSMSA-N 1 0 329.400 2.854 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001493466741 1398723452 /nfs/dbraw/zinc/72/34/52/1398723452.db2.gz IVLOQYRQVBEUMG-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c(C)c1 ZINC001507787624 1407160240 /nfs/dbraw/zinc/16/02/40/1407160240.db2.gz LYDQORWBQIZZQS-QZTJIDSGSA-N 1 0 347.459 2.637 10 5 EFBERO Cc1ccoc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001498514641 1402155178 /nfs/dbraw/zinc/15/51/78/1402155178.db2.gz VLLDMUBQWMLHNI-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC001499155075 1402499745 /nfs/dbraw/zinc/49/97/45/1402499745.db2.gz RMLMLAXTIXDCCA-UHFFFAOYSA-N 1 0 331.397 2.709 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1 ZINC001556236531 1415059818 /nfs/dbraw/zinc/05/98/18/1415059818.db2.gz KONMCVVWWFDBJC-UHFFFAOYSA-N 1 0 342.399 2.544 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001565872861 1415120504 /nfs/dbraw/zinc/12/05/04/1415120504.db2.gz VYKRUCFSQJKAGD-WKILWMFISA-N 1 0 343.427 2.936 10 5 EFBERO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001557510311 1415128996 /nfs/dbraw/zinc/12/89/96/1415128996.db2.gz RYOQHHWYDVXCSG-ZDUSSCGKSA-N 1 0 339.823 2.639 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001557581711 1415132690 /nfs/dbraw/zinc/13/26/90/1415132690.db2.gz WAEMJIYANNPRFM-STQMWFEESA-N 1 0 334.420 2.512 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001557695163 1415138735 /nfs/dbraw/zinc/13/87/35/1415138735.db2.gz QIXRRNNTGGGFLG-HUUCEWRRSA-N 1 0 335.379 2.645 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558767017 1415200426 /nfs/dbraw/zinc/20/04/26/1415200426.db2.gz FFGJEEANPXFIDT-KGLIPLIRSA-N 1 0 337.445 2.991 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558767018 1415200499 /nfs/dbraw/zinc/20/04/99/1415200499.db2.gz FFGJEEANPXFIDT-UONOGXRCSA-N 1 0 337.445 2.991 10 5 EFBERO CC[NH+](CC)CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC001558810245 1415203347 /nfs/dbraw/zinc/20/33/47/1415203347.db2.gz FQEMODAMSLIPNA-AWEZNQCLSA-N 1 0 345.403 2.521 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001558874182 1415207937 /nfs/dbraw/zinc/20/79/37/1415207937.db2.gz BIPMGZCNWJQWOE-ZDUSSCGKSA-N 1 0 337.395 2.564 10 5 EFBERO Cn1cc([N+](=O)[O-])c(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001559094399 1415223487 /nfs/dbraw/zinc/22/34/87/1415223487.db2.gz ONWOONNMVSRUDJ-UHFFFAOYSA-N 1 0 343.431 2.677 10 5 EFBERO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001559098629 1415224089 /nfs/dbraw/zinc/22/40/89/1415224089.db2.gz YAUDAGJVGUEEFL-UHFFFAOYSA-N 1 0 328.372 2.541 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001559266174 1415235019 /nfs/dbraw/zinc/23/50/19/1415235019.db2.gz RHHNYTUJYUPEKD-QGZVFWFLSA-N 1 0 339.395 2.818 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001559300211 1415238059 /nfs/dbraw/zinc/23/80/59/1415238059.db2.gz GUYXHTBYCPNFPQ-UHFFFAOYSA-N 1 0 337.395 2.551 10 5 EFBERO O=C(CC[NH2+]C1(CO)CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560082674 1415262533 /nfs/dbraw/zinc/26/25/33/1415262533.db2.gz GARADDSAMVDDHQ-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC001565956284 1415267415 /nfs/dbraw/zinc/26/74/15/1415267415.db2.gz SAOIUHJMDBPHHN-CHWSQXEVSA-N 1 0 337.395 2.987 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001560225007 1415268151 /nfs/dbraw/zinc/26/81/51/1415268151.db2.gz KPXMFOVJGVQHLD-INIZCTEOSA-N 1 0 338.310 2.575 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377016 1415376234 /nfs/dbraw/zinc/37/62/34/1415376234.db2.gz XSXLQLXAAKQAON-OIISXLGYSA-N 1 0 346.431 2.782 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001564717687 1415380889 /nfs/dbraw/zinc/38/08/89/1415380889.db2.gz PUYGHXALHVUSMX-GJZGRUSLSA-N 1 0 348.447 2.872 10 5 EFBERO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565561365 1415403437 /nfs/dbraw/zinc/40/34/37/1415403437.db2.gz IAMHGYXJLDXWCC-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc(C)no1)Cc1ccccc1[N+](=O)[O-] ZINC001566540557 1415626692 /nfs/dbraw/zinc/62/66/92/1415626692.db2.gz PQQWCYOABVGJLU-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=C(CCC1CCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566835218 1415793615 /nfs/dbraw/zinc/79/36/15/1415793615.db2.gz ZMBIJWRTGRQVFD-IYBDPMFKSA-N 1 0 331.416 2.912 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566848562 1415798391 /nfs/dbraw/zinc/79/83/91/1415798391.db2.gz QWQVUHHLIVKIQK-MXYRBXQYSA-N 1 0 329.400 2.854 10 5 EFBERO CCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001566851845 1415799120 /nfs/dbraw/zinc/79/91/20/1415799120.db2.gz BYYRXKIRMYHGRX-GASCZTMLSA-N 1 0 331.416 2.912 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(F)c1 ZINC001567508638 1416166035 /nfs/dbraw/zinc/16/60/35/1416166035.db2.gz DNLAXSQJJRGRKU-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO COc1cccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001567594698 1416202687 /nfs/dbraw/zinc/20/26/87/1416202687.db2.gz DXUHMCCJMLSSEG-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CC(C)(F)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001567992567 1416352844 /nfs/dbraw/zinc/35/28/44/1416352844.db2.gz WCMRJRWUGLYPFB-UHFFFAOYSA-N 1 0 337.395 2.862 10 5 EFBERO CCC(=O)NCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001568115576 1416415843 /nfs/dbraw/zinc/41/58/43/1416415843.db2.gz ITYPANYXURSHRV-UHFFFAOYSA-N 1 0 327.384 2.911 10 5 EFBERO CC1(CC(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C3)CC1 ZINC001685854093 1416774282 /nfs/dbraw/zinc/77/42/82/1416774282.db2.gz NDPREWYCWVUNDR-UHFFFAOYSA-N 1 0 343.427 2.819 10 5 EFBERO CC[C@H](NC(=O)N1CC[N@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001685996857 1416785330 /nfs/dbraw/zinc/78/53/30/1416785330.db2.gz ZODPEIWJARHHOH-CJNGLKHVSA-N 1 0 334.420 2.782 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001690326512 1417190986 /nfs/dbraw/zinc/19/09/86/1417190986.db2.gz GAHJFNSRMMFXBQ-HXSLRHSSSA-N 1 0 335.429 2.749 10 5 EFBERO O=C(CCC1CC1)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001700628955 1417591253 /nfs/dbraw/zinc/59/12/53/1417591253.db2.gz JBQMXYXIFLWARB-MQMHXKEQSA-N 1 0 337.445 2.831 10 5 EFBERO Cc1nscc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001707370691 1418233942 /nfs/dbraw/zinc/23/39/42/1418233942.db2.gz FEXFXVYDGVAHGS-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C1CC1 ZINC001716234772 1418731938 /nfs/dbraw/zinc/73/19/38/1418731938.db2.gz NSWDCOUCLVGZPP-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1ccoc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001716268850 1418749685 /nfs/dbraw/zinc/74/96/85/1418749685.db2.gz NLBGBHOBLVWVAE-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001716549609 1418911921 /nfs/dbraw/zinc/91/19/21/1418911921.db2.gz ZCXFXXUDHGBDDC-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO CC/C=C(\C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001717636894 1419482444 /nfs/dbraw/zinc/48/24/44/1419482444.db2.gz HJHFHKRIKQQYPJ-HRCCNRFSSA-N 1 0 337.445 2.997 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccs1 ZINC001722967609 1424388903 /nfs/dbraw/zinc/38/89/03/1424388903.db2.gz QEQOZFXMGSTTFP-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO Cc1ncc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001722986255 1424394783 /nfs/dbraw/zinc/39/47/83/1424394783.db2.gz ZPEXCMMJWDXNFF-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC001723492248 1424512904 /nfs/dbraw/zinc/51/29/04/1424512904.db2.gz UKBQXOSKSPJTOW-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(CCC1CC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001724782442 1425009920 /nfs/dbraw/zinc/00/99/20/1425009920.db2.gz IFMNWDBJWVQCBW-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC[N@H+](CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000254985451 713206744 /nfs/dbraw/zinc/20/67/44/713206744.db2.gz XMHKIBPSLSYKHI-UITAMQMPSA-N 1 0 333.388 2.677 10 5 EFBERO C[NH2+]C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000261589202 714276687 /nfs/dbraw/zinc/27/66/87/714276687.db2.gz KQFBFQFIVWFQHU-UHFFFAOYSA-N 1 0 328.210 2.541 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c(Cl)c1 ZINC000261900975 714595261 /nfs/dbraw/zinc/59/52/61/714595261.db2.gz WRQWMHBLHNVQER-MRXNPFEDSA-N 1 0 332.791 2.790 10 5 EFBERO CC(C)[N@H+](C)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000098052724 714908001 /nfs/dbraw/zinc/90/80/01/714908001.db2.gz JTMQZCBVIHNGBO-TWGQIWQCSA-N 1 0 331.416 2.939 10 5 EFBERO O=[N+]([O-])c1cn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1ccncc1 ZINC000176204184 715193232 /nfs/dbraw/zinc/19/32/32/715193232.db2.gz QRHQYTGHTHLHHK-GJZGRUSLSA-N 1 0 327.388 2.933 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925761130 717232241 /nfs/dbraw/zinc/23/22/41/717232241.db2.gz AHIDBJHSRSYKFT-FUNVUKJBSA-N 1 0 340.221 2.730 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000255650872 717341693 /nfs/dbraw/zinc/34/16/93/717341693.db2.gz LYJYPULTBLCVDZ-DJTUGOFGSA-N 1 0 333.388 2.676 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000311541569 718756636 /nfs/dbraw/zinc/75/66/36/718756636.db2.gz NMXGKBZCGAUXFS-MKPLZMMCSA-N 1 0 326.194 2.531 10 5 EFBERO C/C(=C\C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781193 719164629 /nfs/dbraw/zinc/16/46/29/719164629.db2.gz WOPVAVJVBQBYES-IYPOZPNPSA-N 1 0 329.400 2.599 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000178569532 719748600 /nfs/dbraw/zinc/74/86/00/719748600.db2.gz SKSTVODSRQGUCA-NHYWBVRUSA-N 1 0 330.340 2.708 10 5 EFBERO C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925855564 719850821 /nfs/dbraw/zinc/85/08/21/719850821.db2.gz PEFAXEVCTQPGFJ-RNCFNFMXSA-N 1 0 332.326 2.512 10 5 EFBERO C[C@@H]1C[N@H+](CCCOC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000893389454 721278135 /nfs/dbraw/zinc/27/81/35/721278135.db2.gz LSXXQRYSGSAROR-LLVKDONJSA-N 1 0 342.779 2.516 10 5 EFBERO COC(=O)c1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000894314333 722074129 /nfs/dbraw/zinc/07/41/29/722074129.db2.gz AVAQFVXYFYEKFI-UHFFFAOYSA-N 1 0 349.412 2.950 10 5 EFBERO Cn1nc2c(c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-])CSCC2 ZINC000894738616 722834082 /nfs/dbraw/zinc/83/40/82/722834082.db2.gz BZGWKRDPLFKZLJ-UHFFFAOYSA-N 1 0 346.456 2.792 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896509046 723321816 /nfs/dbraw/zinc/32/18/16/723321816.db2.gz PTZCBJYRLWPRMM-SFHVURJKSA-N 1 0 331.416 2.520 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000897013979 723945021 /nfs/dbraw/zinc/94/50/21/723945021.db2.gz SRVKFVWVDHDUPU-KAMYIIQDSA-N 1 0 345.399 2.963 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897021716 723953659 /nfs/dbraw/zinc/95/36/59/723953659.db2.gz ACPVACOPBFGKOT-VEMDQMBVSA-N 1 0 345.399 2.819 10 5 EFBERO Cc1sc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000895278269 723976406 /nfs/dbraw/zinc/97/64/06/723976406.db2.gz SARHDBARLGKMJR-NSHDSACASA-N 1 0 346.412 2.711 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000895345191 724053938 /nfs/dbraw/zinc/05/39/38/724053938.db2.gz PZYRROQNJVTUTB-HNNXBMFYSA-N 1 0 346.431 2.591 10 5 EFBERO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(F)(F)C1 ZINC000895531842 724181582 /nfs/dbraw/zinc/18/15/82/724181582.db2.gz ISIICKIOQSFPRV-UHFFFAOYSA-N 1 0 340.374 2.984 10 5 EFBERO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCOC1 ZINC000895664799 724246286 /nfs/dbraw/zinc/24/62/86/724246286.db2.gz WMOACQOBKPGJSZ-PBHICJAKSA-N 1 0 348.447 2.753 10 5 EFBERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)CO1 ZINC000895819380 724331281 /nfs/dbraw/zinc/33/12/81/724331281.db2.gz XDDPSZVHJAXNGS-ZUCKAHLUSA-N 1 0 347.371 2.552 10 5 EFBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000895854886 724353728 /nfs/dbraw/zinc/35/37/28/724353728.db2.gz NJEBVELUAAZGRP-JSGCOSHPSA-N 1 0 328.796 2.779 10 5 EFBERO C[C@@H]1CC[N@H+](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906872664 726809108 /nfs/dbraw/zinc/80/91/08/726809108.db2.gz OJWHIDMABCQFBJ-GFCCVEGCSA-N 1 0 339.823 2.639 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907193787 726890478 /nfs/dbraw/zinc/89/04/78/726890478.db2.gz WBAJKNGQLLXYGE-VXGBXAGGSA-N 1 0 339.823 2.732 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000915211479 726898821 /nfs/dbraw/zinc/89/88/21/726898821.db2.gz UAIHRPCERBSHSE-NMNMAYGDSA-N 1 0 345.399 2.677 10 5 EFBERO COC(=O)/C=C/c1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000915211862 726899070 /nfs/dbraw/zinc/89/90/70/726899070.db2.gz IBPRMKMNVPUDCX-VQHVLOKHSA-N 1 0 335.404 2.923 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000741491319 726911008 /nfs/dbraw/zinc/91/10/08/726911008.db2.gz ONIAVSAMSKDLHQ-SWLSCSKDSA-N 1 0 336.461 2.954 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731678704 726916709 /nfs/dbraw/zinc/91/67/09/726916709.db2.gz OENYYYSQOOAJQB-MRXNPFEDSA-N 1 0 331.328 2.635 10 5 EFBERO CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188920 727001972 /nfs/dbraw/zinc/00/19/72/727001972.db2.gz OKTRLNLPKOSGNN-GOSISDBHSA-N 1 0 341.415 2.584 10 5 EFBERO CC(C)(NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccccc1[N+](=O)[O-] ZINC000908360154 727169346 /nfs/dbraw/zinc/16/93/46/727169346.db2.gz OQGSFUVYKFUSBE-XJKSGUPXSA-N 1 0 331.416 2.963 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908500043 727197474 /nfs/dbraw/zinc/19/74/74/727197474.db2.gz CCIYPMGPGKBORM-UHFFFAOYSA-N 1 0 346.431 2.683 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000908500228 727197495 /nfs/dbraw/zinc/19/74/95/727197495.db2.gz ZDLSEVQNPLGCCG-UHFFFAOYSA-N 1 0 345.443 2.908 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000908502673 727204329 /nfs/dbraw/zinc/20/43/29/727204329.db2.gz WXYHCRQVCPHYGA-UHFFFAOYSA-N 1 0 345.443 2.908 10 5 EFBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000909020198 727310893 /nfs/dbraw/zinc/31/08/93/727310893.db2.gz GUJHXKJMTIJSGK-KRWDZBQOSA-N 1 0 332.404 2.840 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910285337 727427536 /nfs/dbraw/zinc/42/75/36/727427536.db2.gz XNHGYPVEVSVLGJ-ZSMUJPCHSA-N 1 0 331.416 2.941 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000911471973 727543312 /nfs/dbraw/zinc/54/33/12/727543312.db2.gz AJSIURZMSBWLEF-SMDDNHRTSA-N 1 0 339.342 2.506 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000912022941 727642107 /nfs/dbraw/zinc/64/21/07/727642107.db2.gz ARPSWOROZXDHLZ-PHIMTYICSA-N 1 0 325.796 2.803 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912284355 727687966 /nfs/dbraw/zinc/68/79/66/727687966.db2.gz PXFJJRVSPHCXNE-JTQLQIEISA-N 1 0 343.786 2.990 10 5 EFBERO C[C@@]1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912376615 727703266 /nfs/dbraw/zinc/70/32/66/727703266.db2.gz YVLVVHHOEAVFSI-OAHLLOKOSA-N 1 0 341.770 2.601 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912603376 727729356 /nfs/dbraw/zinc/72/93/56/727729356.db2.gz ZFUSFZHUPQXDKZ-KBPBESRZSA-N 1 0 335.379 2.645 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912872136 727753359 /nfs/dbraw/zinc/75/33/59/727753359.db2.gz PAZYLBMDPOSDAO-UHFFFAOYSA-N 1 0 337.807 2.867 10 5 EFBERO O=C(N1CCC([NH+]2CCC2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000912884873 727756826 /nfs/dbraw/zinc/75/68/26/727756826.db2.gz GFUXWUSGZKKZHY-UHFFFAOYSA-N 1 0 343.427 2.713 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000917067951 727763087 /nfs/dbraw/zinc/76/30/87/727763087.db2.gz DIVAFOASQWXTDM-XQRVVYSFSA-N 1 0 347.415 2.925 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000917082263 727764663 /nfs/dbraw/zinc/76/46/63/727764663.db2.gz NIZNFXTXGMEJOO-IORUMNFESA-N 1 0 345.399 2.820 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC000913275813 727812841 /nfs/dbraw/zinc/81/28/41/727812841.db2.gz DTSSYEQHBKGZAZ-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO CSc1cccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913281501 727814913 /nfs/dbraw/zinc/81/49/13/727814913.db2.gz QWIMBUXZRVHRCO-IAGOWNOFSA-N 1 0 349.456 2.731 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385694 727830935 /nfs/dbraw/zinc/83/09/35/727830935.db2.gz HUMQXMXAAJRZQX-LLVKDONJSA-N 1 0 343.786 2.876 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000913387675 727831420 /nfs/dbraw/zinc/83/14/20/727831420.db2.gz QGTRJEOFXPQKGM-UHFFFAOYSA-N 1 0 343.786 2.944 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000913404484 727833137 /nfs/dbraw/zinc/83/31/37/727833137.db2.gz GWUVMNXHUUNKED-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO CSc1cccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913393391 727833781 /nfs/dbraw/zinc/83/37/81/727833781.db2.gz OHRUTJPHUIAHBD-UHFFFAOYSA-N 1 0 337.445 2.873 10 5 EFBERO C/C(=C/C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000913394216 727834070 /nfs/dbraw/zinc/83/40/70/727834070.db2.gz QTQNJPFDDXXGBP-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000164937503 727998308 /nfs/dbraw/zinc/99/83/08/727998308.db2.gz RUNZCVSOFFZWDQ-RHSMWYFYSA-N 1 0 330.388 2.529 10 5 EFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834943 728590083 /nfs/dbraw/zinc/59/00/83/728590083.db2.gz BWBPQSKJLVLYPN-VHSXEESVSA-N 1 0 328.210 2.921 10 5 EFBERO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000172503660 728593791 /nfs/dbraw/zinc/59/37/91/728593791.db2.gz IZLJBBGJSKOBCM-GFCCVEGCSA-N 1 0 334.401 2.609 10 5 EFBERO O=[N+]([O-])c1cncc(Br)c1NCC[C@H]1CCC[NH2+]C1 ZINC000232478964 728664203 /nfs/dbraw/zinc/66/42/03/728664203.db2.gz IXLWZIHYYVJGAP-SECBINFHSA-N 1 0 329.198 2.554 10 5 EFBERO CC[NH+](CC)C[C@H](C)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000921054840 729256360 /nfs/dbraw/zinc/25/63/60/729256360.db2.gz CMSRENSYBPXLAY-KJJQSCHISA-N 1 0 335.404 2.923 10 5 EFBERO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC001569786044 1085604408 /nfs/dbraw/zinc/60/44/08/1085604408.db2.gz NRIOFLXTSNEKHT-AWEZNQCLSA-N 1 0 348.447 2.726 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001570102664 1085950334 /nfs/dbraw/zinc/95/03/34/1085950334.db2.gz MCHOAJRKGDUVAN-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001570619863 1086413179 /nfs/dbraw/zinc/41/31/79/1086413179.db2.gz VBXJNYLWPVRGTQ-HOTGVXAUSA-N 1 0 345.443 2.861 10 5 EFBERO O=C(CCC(F)F)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001571136459 1086669808 /nfs/dbraw/zinc/66/98/08/1086669808.db2.gz JBJHQRHMAUNWFI-JOCQHMNTSA-N 1 0 341.358 2.625 10 5 EFBERO CCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001571668860 1087033108 /nfs/dbraw/zinc/03/31/08/1087033108.db2.gz GNQMTIMQPJKVBV-HZPDHXFCSA-N 1 0 337.464 2.593 10 5 EFBERO COc1cc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001646536846 1087847974 /nfs/dbraw/zinc/84/79/74/1087847974.db2.gz KRHDIVOMLFZOCE-MRXNPFEDSA-N 1 0 339.411 2.905 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646593016 1087900306 /nfs/dbraw/zinc/90/03/06/1087900306.db2.gz QYSYELNTWDBURX-OAGGEKHMSA-N 1 0 331.416 2.545 10 5 EFBERO Cc1ccc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001647788442 1089877930 /nfs/dbraw/zinc/87/79/30/1089877930.db2.gz ZAUYYVOLJCLSCR-QGZVFWFLSA-N 1 0 347.459 2.978 10 5 EFBERO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648277946 1089970150 /nfs/dbraw/zinc/97/01/50/1089970150.db2.gz ZPNYTMGCDGOBFF-ZYHUDNBSSA-N 1 0 345.403 2.623 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001648617011 1092239966 /nfs/dbraw/zinc/23/99/66/1092239966.db2.gz IUBJMLKZORWACH-CQSZACIVSA-N 1 0 338.310 2.575 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC001648641558 1092243049 /nfs/dbraw/zinc/24/30/49/1092243049.db2.gz DDAIUTXPFHEKEP-GOSISDBHSA-N 1 0 347.415 2.877 10 5 EFBERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001585211112 1092405079 /nfs/dbraw/zinc/40/50/79/1092405079.db2.gz HZKLBNYXGHNBRJ-UHFFFAOYSA-N 1 0 348.447 2.761 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001585891530 1092611947 /nfs/dbraw/zinc/61/19/47/1092611947.db2.gz NBBGXKJPCUJZAD-HUUCEWRRSA-N 1 0 349.456 2.919 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001267116528 1092798783 /nfs/dbraw/zinc/79/87/83/1092798783.db2.gz BYCSLUMHSQYKQE-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001587516531 1092817293 /nfs/dbraw/zinc/81/72/93/1092817293.db2.gz CPMSVGOBUYUGIW-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001587795276 1092853479 /nfs/dbraw/zinc/85/34/79/1092853479.db2.gz DKFIFTNBZYPCLD-KRWDZBQOSA-N 1 0 339.395 2.908 10 5 EFBERO C[NH+](C)C1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001650619916 1093475400 /nfs/dbraw/zinc/47/54/00/1093475400.db2.gz CTMIKEUKLKCNBF-UHFFFAOYSA-N 1 0 345.359 2.582 10 5 EFBERO CCC[N@H+](CCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001267309978 1093549383 /nfs/dbraw/zinc/54/93/83/1093549383.db2.gz XNVVCNZFEIKVCY-UHFFFAOYSA-N 1 0 325.384 2.671 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C(C)(C)C1(C)C ZINC001267359131 1094301270 /nfs/dbraw/zinc/30/12/70/1094301270.db2.gz BGJTVEMCJYZQOW-UHFFFAOYSA-N 1 0 333.432 2.825 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(C[NH+](C)C)nc1)CC2 ZINC001597626918 1094607069 /nfs/dbraw/zinc/60/70/69/1094607069.db2.gz LJYKWZOEONYTPE-UHFFFAOYSA-N 1 0 340.383 2.563 10 5 EFBERO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001598081145 1094655037 /nfs/dbraw/zinc/65/50/37/1094655037.db2.gz CZEOSWMFCYIEGL-UHFFFAOYSA-N 1 0 348.322 2.681 10 5 EFBERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000785336961 1094834947 /nfs/dbraw/zinc/83/49/47/1094834947.db2.gz MNHCUXPLWALKPY-FZDCUMRKSA-N 1 0 329.400 2.741 10 5 EFBERO CC(F)(F)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001481886920 1096873104 /nfs/dbraw/zinc/87/31/04/1096873104.db2.gz BXFIBQWYSBRVDI-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1 ZINC001268511481 1097100862 /nfs/dbraw/zinc/10/08/62/1097100862.db2.gz KYPYSULYLWUSJH-UPHRSURJSA-N 1 0 349.774 2.917 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC001268776659 1097624163 /nfs/dbraw/zinc/62/41/63/1097624163.db2.gz ZSVFFDJMTGEPBN-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC001269362295 1098090056 /nfs/dbraw/zinc/09/00/56/1098090056.db2.gz XLNSNYDVDFMADX-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1Cl ZINC001269401422 1098115053 /nfs/dbraw/zinc/11/50/53/1098115053.db2.gz CSCBSGLVIJOKSU-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO CCC(=O)NCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267931830 1098725479 /nfs/dbraw/zinc/72/54/79/1098725479.db2.gz GAKKFUYXMCTCBB-UHFFFAOYSA-N 1 0 327.384 2.911 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001611165640 1098985671 /nfs/dbraw/zinc/98/56/71/1098985671.db2.gz QYGKZYXVGDHYGS-PBHICJAKSA-N 1 0 333.432 2.887 10 5 EFBERO C[NH+](C)CCCC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001612407542 1099055811 /nfs/dbraw/zinc/05/58/11/1099055811.db2.gz ZOLSWGGULOTUMR-UHFFFAOYSA-N 1 0 349.478 2.592 10 5 EFBERO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(C[NH+](C)C)c1 ZINC001617673083 1099252071 /nfs/dbraw/zinc/25/20/71/1099252071.db2.gz KITNYLBKKXTWSN-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO CCCN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001618546731 1099304074 /nfs/dbraw/zinc/30/40/74/1099304074.db2.gz WXOKQGAPNSKKKQ-UHFFFAOYSA-N 1 0 327.812 2.591 10 5 EFBERO CC[C@H]1COC(C)(C)CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001619854746 1099338216 /nfs/dbraw/zinc/33/82/16/1099338216.db2.gz UPFTYXVZYZQWPR-ZDUSSCGKSA-N 1 0 338.404 2.872 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC001620524139 1099359160 /nfs/dbraw/zinc/35/91/60/1099359160.db2.gz LUALHQVVLRTRBT-KURKYZTESA-N 1 0 334.416 2.989 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H](F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001623567594 1099601856 /nfs/dbraw/zinc/60/18/56/1099601856.db2.gz LZZUZJIRCLKZPI-AWEZNQCLSA-N 1 0 335.379 2.520 10 5 EFBERO CC(=O)CCCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001624056278 1099656394 /nfs/dbraw/zinc/65/63/94/1099656394.db2.gz GERLLQPAGQJQLK-UHFFFAOYSA-N 1 0 344.371 2.660 10 5 EFBERO CC[NH+](CC)Cc1cccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001624216660 1099673112 /nfs/dbraw/zinc/67/31/12/1099673112.db2.gz JAGYCVMBMKGOHM-UHFFFAOYSA-N 1 0 343.387 2.666 10 5 EFBERO CCC[N@@H+]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001624566318 1099707740 /nfs/dbraw/zinc/70/77/40/1099707740.db2.gz MJDDSHWAMXDHEY-NSHDSACASA-N 1 0 331.376 2.532 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001625493412 1099817461 /nfs/dbraw/zinc/81/74/61/1099817461.db2.gz SUQBWWUBUSZNII-GFCCVEGCSA-N 1 0 325.384 2.893 10 5 EFBERO Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1[N+](=O)[O-] ZINC001625754127 1099848492 /nfs/dbraw/zinc/84/84/92/1099848492.db2.gz DIGFRZFZFJLGNP-UHFFFAOYSA-N 1 0 330.344 2.618 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001626848583 1099925823 /nfs/dbraw/zinc/92/58/23/1099925823.db2.gz JIXBMTBXNYUDJI-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001626848585 1099926058 /nfs/dbraw/zinc/92/60/58/1099926058.db2.gz JIXBMTBXNYUDJI-NSHDSACASA-N 1 0 327.812 2.637 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001627285974 1099977563 /nfs/dbraw/zinc/97/75/63/1099977563.db2.gz WGFIWQLLDMHKQR-QWHCGFSZSA-N 1 0 341.358 2.532 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000931022797 1100010603 /nfs/dbraw/zinc/01/06/03/1100010603.db2.gz SPHLLKYCKYKOJT-STQMWFEESA-N 1 0 341.205 2.750 10 5 EFBERO C[NH+](C)CC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001628315485 1100087495 /nfs/dbraw/zinc/08/74/95/1100087495.db2.gz JHELXYBZHZHDHX-UHFFFAOYSA-N 1 0 325.796 2.662 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001629525506 1100219710 /nfs/dbraw/zinc/21/97/10/1100219710.db2.gz IUNVYCUOVPEBHT-UHFFFAOYSA-N 1 0 330.731 2.826 10 5 EFBERO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001629713259 1100239185 /nfs/dbraw/zinc/23/91/85/1100239185.db2.gz CUUHFCCBKPWFBS-UHFFFAOYSA-N 1 0 341.367 2.987 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001630471853 1100309107 /nfs/dbraw/zinc/30/91/07/1100309107.db2.gz WHQQFYFJZMAJMQ-UHFFFAOYSA-N 1 0 333.432 2.865 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001630769985 1100337788 /nfs/dbraw/zinc/33/77/88/1100337788.db2.gz AEFDHGBAFCQZHW-KBPBESRZSA-N 1 0 333.432 2.979 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001631375559 1100393297 /nfs/dbraw/zinc/39/32/97/1100393297.db2.gz CNKIDIGPUMBEMF-CYBMUJFWSA-N 1 0 339.823 2.639 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001631523872 1100407437 /nfs/dbraw/zinc/40/74/37/1100407437.db2.gz UHZFLVUPIUTFLP-MRXNPFEDSA-N 1 0 349.431 2.552 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001632478528 1100477696 /nfs/dbraw/zinc/47/76/96/1100477696.db2.gz ZJXHZJYZCISOBK-LBPRGKRZSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC001632724520 1100496310 /nfs/dbraw/zinc/49/63/10/1100496310.db2.gz AIPOVJSOJCIFMU-LLVKDONJSA-N 1 0 342.827 2.537 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001633375021 1100538834 /nfs/dbraw/zinc/53/88/34/1100538834.db2.gz OUMOLSYDSLHDBD-NSHDSACASA-N 1 0 331.376 2.530 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001633729894 1100561748 /nfs/dbraw/zinc/56/17/48/1100561748.db2.gz FOMIKECNOBDIQP-UHFFFAOYSA-N 1 0 345.443 2.860 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843782139 1100583989 /nfs/dbraw/zinc/58/39/89/1100583989.db2.gz QBNRKRSRNKOZCI-UHFFFAOYSA-N 1 0 337.395 2.894 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)n1 ZINC001635862199 1100684782 /nfs/dbraw/zinc/68/47/82/1100684782.db2.gz SKHBCKZTUFPCDO-UHFFFAOYSA-N 1 0 348.447 2.738 10 5 EFBERO Cc1c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001635954955 1100689580 /nfs/dbraw/zinc/68/95/80/1100689580.db2.gz VGYDSUMRZRHYMS-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001636261260 1100709584 /nfs/dbraw/zinc/70/95/84/1100709584.db2.gz VPEDQNCOFKFLDG-AWEZNQCLSA-N 1 0 349.431 2.701 10 5 EFBERO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001637067960 1100755482 /nfs/dbraw/zinc/75/54/82/1100755482.db2.gz OCIRAMWTNTZEPC-UHFFFAOYSA-N 1 0 349.406 2.753 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC001639070068 1100910202 /nfs/dbraw/zinc/91/02/02/1100910202.db2.gz FHSCWZHMYIFWBJ-UHFFFAOYSA-N 1 0 332.335 2.630 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001639405819 1100945716 /nfs/dbraw/zinc/94/57/16/1100945716.db2.gz IRDOTMMDVHGIKN-OKILXGFUSA-N 1 0 333.432 2.814 10 5 EFBERO C[NH+](C)[C@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C1CC1 ZINC001639430135 1100948211 /nfs/dbraw/zinc/94/82/11/1100948211.db2.gz MZBIWCSJQBBCGV-CYBMUJFWSA-N 1 0 334.807 2.970 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001639798455 1100985096 /nfs/dbraw/zinc/98/50/96/1100985096.db2.gz WUDBKEXNDSUCGN-CVEARBPZSA-N 1 0 348.447 2.632 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001640013806 1101004195 /nfs/dbraw/zinc/00/41/95/1101004195.db2.gz LHIKPZXGCIBDCS-HNNXBMFYSA-N 1 0 331.416 2.592 10 5 EFBERO CN(CCC[NH+](C)C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001640143556 1101018459 /nfs/dbraw/zinc/01/84/59/1101018459.db2.gz UEOQWHJNDRVDIJ-UHFFFAOYSA-N 1 0 348.369 2.909 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCC[N@H+](C)C1 ZINC001640160785 1101019236 /nfs/dbraw/zinc/01/92/36/1101019236.db2.gz AIBSVXDPYJQYGV-ZDUSSCGKSA-N 1 0 335.404 2.834 10 5 EFBERO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001640412379 1101044779 /nfs/dbraw/zinc/04/47/79/1101044779.db2.gz YOYCZPAUICITDF-LLVKDONJSA-N 1 0 335.433 2.757 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001640524724 1101055724 /nfs/dbraw/zinc/05/57/24/1101055724.db2.gz AZCNGQOARFGKII-CABCVRRESA-N 1 0 343.431 2.942 10 5 EFBERO C[C@H](CSCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001641307571 1101125301 /nfs/dbraw/zinc/12/53/01/1101125301.db2.gz QVHMKHASMIPTPI-AWEZNQCLSA-N 1 0 340.445 2.675 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)c2c1 ZINC001642053162 1101186221 /nfs/dbraw/zinc/18/62/21/1101186221.db2.gz XICVONTXTWVXAS-UHFFFAOYSA-N 1 0 332.404 2.716 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001642214724 1101199485 /nfs/dbraw/zinc/19/94/85/1101199485.db2.gz ONQMJZSPCFPVMT-GFCCVEGCSA-N 1 0 335.404 2.975 10 5 EFBERO CCC[N@H+](CC)CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001642356926 1101208485 /nfs/dbraw/zinc/20/84/85/1101208485.db2.gz WZAHIPDNJYLMDL-UHFFFAOYSA-N 1 0 347.375 2.617 10 5 EFBERO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)ccc1C[NH+](C)C ZINC001642430111 1101213445 /nfs/dbraw/zinc/21/34/45/1101213445.db2.gz DOLHDEGSXJMRAB-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO C[N@H+](CCSc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccccc1 ZINC001642641451 1101230335 /nfs/dbraw/zinc/23/03/35/1101230335.db2.gz OILZYHSGPCAFJN-UHFFFAOYSA-N 1 0 345.424 2.918 10 5 EFBERO Cc1cc(N2CC[N@@H+](C)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001642877204 1101252939 /nfs/dbraw/zinc/25/29/39/1101252939.db2.gz AMVCMYOOAJTCAZ-UHFFFAOYSA-N 1 0 341.415 2.891 10 5 EFBERO Cc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001642929110 1101257588 /nfs/dbraw/zinc/25/75/88/1101257588.db2.gz HEWRXOIHSCMSBK-UHFFFAOYSA-N 1 0 331.416 2.784 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001642976750 1101261796 /nfs/dbraw/zinc/26/17/96/1101261796.db2.gz GXJCWUCMPHAGOT-OAHLLOKOSA-N 1 0 341.415 2.678 10 5 EFBERO Cc1nc(NCc2ccc(Nc3cc[nH+]cc3)cc2)ncc1[N+](=O)[O-] ZINC001642996638 1101263126 /nfs/dbraw/zinc/26/31/26/1101263126.db2.gz BTCIKYZTFYTJQI-UHFFFAOYSA-N 1 0 336.355 2.866 10 5 EFBERO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)O ZINC001643020320 1101263908 /nfs/dbraw/zinc/26/39/08/1101263908.db2.gz FZEYUENDGGMLIP-AWEZNQCLSA-N 1 0 334.376 2.530 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC001651378754 1101319713 /nfs/dbraw/zinc/31/97/13/1101319713.db2.gz WSHJARMWVCCUFW-ZDUSSCGKSA-N 1 0 348.403 2.913 10 5 EFBERO CCc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651435124 1101328863 /nfs/dbraw/zinc/32/88/63/1101328863.db2.gz QOSUSOQUUWNPNP-LRDDRELGSA-N 1 0 341.415 2.541 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC001651532413 1101343391 /nfs/dbraw/zinc/34/33/91/1101343391.db2.gz ISZHLNCFGSBFOU-MRXNPFEDSA-N 1 0 341.411 2.933 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC001651531349 1101344754 /nfs/dbraw/zinc/34/47/54/1101344754.db2.gz YNFQCLAEYROBJD-SNVBAGLBSA-N 1 0 343.225 2.591 10 5 EFBERO CCN(CCC[NH+](C)C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651752741 1101377983 /nfs/dbraw/zinc/37/79/83/1101377983.db2.gz FGIHWRXDDAVILX-UHFFFAOYSA-N 1 0 347.375 2.829 10 5 EFBERO C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001651858295 1101394748 /nfs/dbraw/zinc/39/47/48/1101394748.db2.gz NAXAESNHKAODAK-PHIMTYICSA-N 1 0 347.337 2.505 10 5 EFBERO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc4c[nH+]cn4c3)cc2N1 ZINC001651925729 1101405396 /nfs/dbraw/zinc/40/53/96/1101405396.db2.gz KSEGTFIEDYKBNE-UHFFFAOYSA-N 1 0 337.339 2.739 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001652077026 1101429987 /nfs/dbraw/zinc/42/99/87/1101429987.db2.gz YCWDLFLIRITEQN-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001652300175 1101471321 /nfs/dbraw/zinc/47/13/21/1101471321.db2.gz PWBAMDAPQJBPDL-RYUDHWBXSA-N 1 0 334.326 2.515 10 5 EFBERO CCOC(=O)C[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC001653379880 1101614642 /nfs/dbraw/zinc/61/46/42/1101614642.db2.gz IGMBRQQZBYAHRA-QGZVFWFLSA-N 1 0 338.404 2.931 10 5 EFBERO COc1ccc(OCC[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001653640684 1101638806 /nfs/dbraw/zinc/63/88/06/1101638806.db2.gz BEFBABFVZGTPKR-NVXWUHKLSA-N 1 0 338.404 2.775 10 5 EFBERO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C(C)(C)C1 ZINC001653797207 1101651814 /nfs/dbraw/zinc/65/18/14/1101651814.db2.gz YFZVODJSXZUWTB-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCC[C@@H]1O ZINC001653948506 1101662393 /nfs/dbraw/zinc/66/23/93/1101662393.db2.gz JCAIBCXXGZIRMJ-DOMZBBRYSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC001654398280 1101713252 /nfs/dbraw/zinc/71/32/52/1101713252.db2.gz PHJDULWNRDUPIC-INIZCTEOSA-N 1 0 337.420 2.617 10 5 EFBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001654585183 1101737509 /nfs/dbraw/zinc/73/75/09/1101737509.db2.gz CIPAYAVMJQOLAB-UHFFFAOYSA-N 1 0 343.427 2.933 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCn2nccc21 ZINC001654611120 1101739907 /nfs/dbraw/zinc/73/99/07/1101739907.db2.gz XBANLRFGJVACCR-HNNXBMFYSA-N 1 0 343.387 2.553 10 5 EFBERO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001654751319 1101754724 /nfs/dbraw/zinc/75/47/24/1101754724.db2.gz ZVVPWLPCSSTEEE-LBPRGKRZSA-N 1 0 331.347 2.701 10 5 EFBERO CCOC(=O)[C@@]1(F)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC001654755706 1101755013 /nfs/dbraw/zinc/75/50/13/1101755013.db2.gz GLUZCJGMBNYFHF-WMLDXEAASA-N 1 0 338.379 2.751 10 5 EFBERO CCC[NH+]1CCN(c2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC001654880200 1101767748 /nfs/dbraw/zinc/76/77/48/1101767748.db2.gz UCFAQMBSOHWCFC-UHFFFAOYSA-N 1 0 335.404 2.612 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001655017280 1101776530 /nfs/dbraw/zinc/77/65/30/1101776530.db2.gz XUVISQSQPXFSAP-IIYDPXPESA-N 1 0 349.456 2.915 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001655016965 1101777914 /nfs/dbraw/zinc/77/79/14/1101777914.db2.gz LDOWRRFMJHRGGI-BFQNTYOBSA-N 1 0 335.429 2.607 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220221 1101795416 /nfs/dbraw/zinc/79/54/16/1101795416.db2.gz ANACFDDPVWLHKM-BMIGLBTASA-N 1 0 343.339 2.826 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220224 1101796390 /nfs/dbraw/zinc/79/63/90/1101796390.db2.gz ANACFDDPVWLHKM-ZUZCIYMTSA-N 1 0 343.339 2.826 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001655329854 1101810637 /nfs/dbraw/zinc/81/06/37/1101810637.db2.gz MIZAQUNKELYUFS-KRWDZBQOSA-N 1 0 349.479 2.686 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2(CCO)CCCCC2)o1 ZINC001655508958 1101837543 /nfs/dbraw/zinc/83/75/43/1101837543.db2.gz ZCMBKXWFBCTEMG-UHFFFAOYSA-N 1 0 346.387 2.820 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001266396739 1101852984 /nfs/dbraw/zinc/85/29/84/1101852984.db2.gz LMAAUCFXRIPDKR-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669763 1101867559 /nfs/dbraw/zinc/86/75/59/1101867559.db2.gz LKPYDEFJTROZFT-HZPDHXFCSA-N 1 0 326.400 2.850 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669761 1101868043 /nfs/dbraw/zinc/86/80/43/1101868043.db2.gz LKPYDEFJTROZFT-CVEARBPZSA-N 1 0 326.400 2.850 10 5 EFBERO COC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001655695464 1101872624 /nfs/dbraw/zinc/87/26/24/1101872624.db2.gz CVVXUEGNPXCNKZ-ZDUSSCGKSA-N 1 0 334.376 2.539 10 5 EFBERO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001655907839 1101910208 /nfs/dbraw/zinc/91/02/08/1101910208.db2.gz IIYMJDKYVUVVQF-FOLVSLTJSA-N 1 0 347.415 2.892 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=CC12CCCCC2 ZINC001655916159 1101910881 /nfs/dbraw/zinc/91/08/81/1101910881.db2.gz SSIQXWQLFQISLM-OAHLLOKOSA-N 1 0 332.400 2.909 10 5 EFBERO CN(C(=O)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001656307322 1102031056 /nfs/dbraw/zinc/03/10/56/1102031056.db2.gz RKLWMCPLNMQZKT-BDEJMISXSA-N 1 0 343.427 2.926 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)ccc1F ZINC001266726286 1102034314 /nfs/dbraw/zinc/03/43/14/1102034314.db2.gz OVFWXAIETLEWJS-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001656558934 1102122574 /nfs/dbraw/zinc/12/25/74/1102122574.db2.gz UUGWQWFZWHOGPB-SJLPKXTDSA-N 1 0 347.415 2.814 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001266808942 1102296812 /nfs/dbraw/zinc/29/68/12/1102296812.db2.gz QMCDBPODKAQIGV-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001648855225 1102520982 /nfs/dbraw/zinc/52/09/82/1102520982.db2.gz UZHTVWPPNLURPR-ZDUSSCGKSA-N 1 0 347.415 2.691 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000588444327 1102536348 /nfs/dbraw/zinc/53/63/48/1102536348.db2.gz YTGBXNIKTIAJTC-IKESIWSLSA-N 1 0 331.416 2.989 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC001659612850 1102554141 /nfs/dbraw/zinc/55/41/41/1102554141.db2.gz RCBGFVWFGYVBLD-NEPJUHHUSA-N 1 0 331.376 2.809 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCn2nccc21 ZINC001659917390 1102578241 /nfs/dbraw/zinc/57/82/41/1102578241.db2.gz DBVONZXAZXPVLG-CQSZACIVSA-N 1 0 343.387 2.553 10 5 EFBERO CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266898729 1102632702 /nfs/dbraw/zinc/63/27/02/1102632702.db2.gz XXCOFVNPNOXQIO-VQFNDLOPSA-N 1 0 331.416 2.722 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660627120 1102894976 /nfs/dbraw/zinc/89/49/76/1102894976.db2.gz ZURKWDBBVYBQFI-DLBZAZTESA-N 1 0 347.415 2.957 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001660662846 1102916786 /nfs/dbraw/zinc/91/67/86/1102916786.db2.gz PSCONOZGPIBUJL-OAHLLOKOSA-N 1 0 347.415 2.781 10 5 EFBERO O=C(CCc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266587090 1102918658 /nfs/dbraw/zinc/91/86/58/1102918658.db2.gz VJAODFXOEFDJEV-WKILWMFISA-N 1 0 343.383 2.557 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001660666992 1102920124 /nfs/dbraw/zinc/92/01/24/1102920124.db2.gz ASCOXAOTKHVQST-KRWDZBQOSA-N 1 0 333.388 2.568 10 5 EFBERO CC1(C(=O)NCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001660684874 1102926042 /nfs/dbraw/zinc/92/60/42/1102926042.db2.gz CREIBODDJJVGKW-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@]12CCC[C@H]1OCC2 ZINC001660683236 1102926610 /nfs/dbraw/zinc/92/66/10/1102926610.db2.gz RRKUXBOGSNRGAC-SJLPKXTDSA-N 1 0 347.415 2.814 10 5 EFBERO CN(CCN(C)C(=O)c1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001271949481 1103169991 /nfs/dbraw/zinc/16/99/91/1103169991.db2.gz AVMYYYQPXJADQN-UHFFFAOYSA-N 1 0 345.374 2.938 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661577653 1103326419 /nfs/dbraw/zinc/32/64/19/1103326419.db2.gz PHHGVKPFJSASLO-SIDSAAMKSA-N 1 0 337.445 2.995 10 5 EFBERO Cc1nn(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000905682111 1103498407 /nfs/dbraw/zinc/49/84/07/1103498407.db2.gz PGKKUVVRQIEWCJ-BEFAXECRSA-N 1 0 349.394 2.879 10 5 EFBERO Cn1ccc([C@H]2CCC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000905720317 1103538810 /nfs/dbraw/zinc/53/88/10/1103538810.db2.gz VJDODQKFILMMEC-AWEZNQCLSA-N 1 0 340.387 2.515 10 5 EFBERO Cn1ccc([C@@H]2CCC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000905720322 1103539318 /nfs/dbraw/zinc/53/93/18/1103539318.db2.gz VJDODQKFILMMEC-CQSZACIVSA-N 1 0 340.387 2.515 10 5 EFBERO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001662021137 1103566975 /nfs/dbraw/zinc/56/69/75/1103566975.db2.gz HYNXZSOZBJIVDD-FVQHAEBGSA-N 1 0 331.416 2.577 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001483449304 1103740178 /nfs/dbraw/zinc/74/01/78/1103740178.db2.gz UKVDXUWREPNGGG-HJWRWDBZSA-N 1 0 343.383 2.839 10 5 EFBERO O=C(CC[NH+]1CC(CC2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000905974554 1103767280 /nfs/dbraw/zinc/76/72/80/1103767280.db2.gz VJZGLHBIMLESIA-UHFFFAOYSA-N 1 0 347.415 2.672 10 5 EFBERO C[N@H+](CCNC(=O)C1CCC=CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663335744 1104059663 /nfs/dbraw/zinc/05/96/63/1104059663.db2.gz QRZHQADACNDACA-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO O=C(C=C1CCC1)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001663714824 1104197072 /nfs/dbraw/zinc/19/70/72/1104197072.db2.gz AAVXWPKRLXTONI-UHFFFAOYSA-N 1 0 329.400 2.786 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001663793259 1104213866 /nfs/dbraw/zinc/21/38/66/1104213866.db2.gz BHXKXIGLABUNJX-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001299188684 1104304813 /nfs/dbraw/zinc/30/48/13/1104304813.db2.gz BYLDCMKWVNJSTG-UHFFFAOYSA-N 1 0 347.346 2.927 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001299822314 1104316164 /nfs/dbraw/zinc/31/61/64/1104316164.db2.gz OWAUWGUPYFQXCB-NWDGAFQWSA-N 1 0 343.786 2.846 10 5 EFBERO C[C@H](CC[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906678585 1104426427 /nfs/dbraw/zinc/42/64/27/1104426427.db2.gz HYEVSVBDZREJHP-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO C[NH+](C)C[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906693743 1104456656 /nfs/dbraw/zinc/45/66/56/1104456656.db2.gz QPPNYMQSIQBNJE-LBPRGKRZSA-N 1 0 339.823 2.591 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC2(CCC2)C1 ZINC001670837168 1104614653 /nfs/dbraw/zinc/61/46/53/1104614653.db2.gz KZFDFTXAPGSMOJ-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CC(C)(C)/C=C\C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482991452 1105493776 /nfs/dbraw/zinc/49/37/76/1105493776.db2.gz RHWKJTSNOSPKQJ-MQZVTSARSA-N 1 0 331.416 2.959 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccoc1Cl ZINC001483005288 1105519945 /nfs/dbraw/zinc/51/99/45/1105519945.db2.gz WVUMHCZMOSHVPE-ARJAWSKDSA-N 1 0 349.774 2.917 10 5 EFBERO Cc1c[nH]cc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673238050 1105988461 /nfs/dbraw/zinc/98/84/61/1105988461.db2.gz KVFSYXWLOHHWKJ-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO O=C(CCC(F)F)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001675766983 1106420941 /nfs/dbraw/zinc/42/09/41/1106420941.db2.gz IIFSYRHXZDKCFU-AULYBMBSSA-N 1 0 341.358 2.625 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001483062973 1108003260 /nfs/dbraw/zinc/00/32/60/1108003260.db2.gz ADDCBUCQFLATLT-ARJAWSKDSA-N 1 0 342.399 2.616 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc(Cl)c[nH]1 ZINC001483714681 1108195447 /nfs/dbraw/zinc/19/54/47/1108195447.db2.gz CNVNVVRUOYFPBO-UHFFFAOYSA-N 1 0 348.790 2.629 10 5 EFBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001266255669 1108697543 /nfs/dbraw/zinc/69/75/43/1108697543.db2.gz YZHGODONOOEGDF-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO C[N@H+](CCNC(=O)c1ccoc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001266270510 1108748221 /nfs/dbraw/zinc/74/82/21/1108748221.db2.gz ULOVDOVUEIVOSW-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1C ZINC000898824992 1109099699 /nfs/dbraw/zinc/09/96/99/1109099699.db2.gz STEJWIXGEGNWPX-CABCVRRESA-N 1 0 331.416 2.814 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000898847405 1109103530 /nfs/dbraw/zinc/10/35/30/1109103530.db2.gz DMOGDVISIJOEKK-ZIAGYGMSSA-N 1 0 337.807 2.851 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000899224034 1109256855 /nfs/dbraw/zinc/25/68/55/1109256855.db2.gz LWFDQYKTZDHGLG-UHFFFAOYSA-N 1 0 331.416 2.912 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000899560458 1109391678 /nfs/dbraw/zinc/39/16/78/1109391678.db2.gz QUVGHMDSRTZQQD-UHFFFAOYSA-N 1 0 349.435 2.532 10 5 EFBERO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547963 1111547947 /nfs/dbraw/zinc/54/79/47/1111547947.db2.gz SCXDKLLOVYXOIZ-JOYOIKCWSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)ccc1F ZINC001168497723 1111775568 /nfs/dbraw/zinc/77/55/68/1111775568.db2.gz NKUZLTROZVCYJT-SNVBAGLBSA-N 1 0 339.754 2.900 10 5 EFBERO CC/C=C/CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483816057 1112485353 /nfs/dbraw/zinc/48/53/53/1112485353.db2.gz NAACJYYLTNUECO-GVKUHWBJSA-N 1 0 349.475 2.711 10 5 EFBERO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)CCCF)CC1 ZINC001484922598 1117839402 /nfs/dbraw/zinc/83/94/02/1117839402.db2.gz SDKFBBAWCPLAQS-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224252 282106878 /nfs/dbraw/zinc/10/68/78/282106878.db2.gz MVAKXBFODJFOOC-HZPDHXFCSA-N 1 0 341.415 2.941 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000130262831 529492948 /nfs/dbraw/zinc/49/29/48/529492948.db2.gz FQODQPDFDBSTOY-BBRMVZONSA-N 1 0 334.420 2.639 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000130263027 529612885 /nfs/dbraw/zinc/61/28/85/529612885.db2.gz FQODQPDFDBSTOY-XJKSGUPXSA-N 1 0 334.420 2.639 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000058524269 214593484 /nfs/dbraw/zinc/59/34/84/214593484.db2.gz PCWMBBAKJZIUDN-UHFFFAOYSA-N 1 0 349.431 2.684 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178021435 232061800 /nfs/dbraw/zinc/06/18/00/232061800.db2.gz NUWONUMJPRKEOH-CQSZACIVSA-N 1 0 327.384 2.984 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067271001 215130409 /nfs/dbraw/zinc/13/04/09/215130409.db2.gz YNQJSTJSISFADZ-NSHDSACASA-N 1 0 325.434 2.815 10 5 EFBERO C[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000104575206 219395686 /nfs/dbraw/zinc/39/56/86/219395686.db2.gz SNVUXHGZCXVVIF-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO CC[NH+](CC)CCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000040555348 213350475 /nfs/dbraw/zinc/35/04/75/213350475.db2.gz DWFKIIBHCBEAAY-UHFFFAOYSA-N 1 0 346.391 2.777 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000183393106 235046850 /nfs/dbraw/zinc/04/68/50/235046850.db2.gz CYVQAPWVOVJUOW-WBVHZDCISA-N 1 0 344.415 2.582 10 5 EFBERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000229021199 535273798 /nfs/dbraw/zinc/27/37/98/535273798.db2.gz PDCGVVRUIDFUFS-UHFFFAOYSA-N 1 0 331.210 2.996 10 5 EFBERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042114 213131251 /nfs/dbraw/zinc/13/12/51/213131251.db2.gz FCHJYVRLKSYGKQ-WRWORJQWSA-N 1 0 330.182 2.669 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529552 219786018 /nfs/dbraw/zinc/78/60/18/219786018.db2.gz DBPFZHUFFJUENE-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132449539 223332194 /nfs/dbraw/zinc/33/21/94/223332194.db2.gz SVYMIRBMAHWLQC-MNOVXSKESA-N 1 0 326.194 2.688 10 5 EFBERO O=C(CC[NH2+]C1(CCO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000411396450 242817816 /nfs/dbraw/zinc/81/78/16/242817816.db2.gz XIFNGJUFKVASCN-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411927345 243029624 /nfs/dbraw/zinc/02/96/24/243029624.db2.gz SBNUKHANVLMMHB-WBVHZDCISA-N 1 0 328.368 2.911 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739290 243306384 /nfs/dbraw/zinc/30/63/84/243306384.db2.gz MROKTJXXKFFMSF-DZGCQCFKSA-N 1 0 348.447 2.646 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246745603 243306985 /nfs/dbraw/zinc/30/69/85/243306985.db2.gz BEEHLDFAXVWCJU-XHDPSFHLSA-N 1 0 339.823 2.636 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246796428 243319561 /nfs/dbraw/zinc/31/95/61/243319561.db2.gz PHBNQBPSJKOPNO-GJZGRUSLSA-N 1 0 348.447 2.646 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414547349 244224721 /nfs/dbraw/zinc/22/47/21/244224721.db2.gz IJYAQEKYMBIBBN-INIZCTEOSA-N 1 0 331.416 2.880 10 5 EFBERO C[C@H]1C[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943852 244397684 /nfs/dbraw/zinc/39/76/84/244397684.db2.gz OLEWIGDODIRBGR-XHDPSFHLSA-N 1 0 332.429 2.806 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418580389 245202202 /nfs/dbraw/zinc/20/22/02/245202202.db2.gz SQZRGLMCLTUBJI-XJKSGUPXSA-N 1 0 334.420 2.513 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418598106 245206745 /nfs/dbraw/zinc/20/67/45/245206745.db2.gz QEZQDPRDWIYUGS-CZUORRHYSA-N 1 0 334.420 2.513 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000264308755 246330458 /nfs/dbraw/zinc/33/04/58/246330458.db2.gz NEIGQSAHDFPRHK-CQSZACIVSA-N 1 0 335.404 2.916 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)o1 ZINC000425355552 247055851 /nfs/dbraw/zinc/05/58/51/247055851.db2.gz MLFLFPMJFVTAMI-LBPRGKRZSA-N 1 0 339.355 2.962 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000425353510 247056511 /nfs/dbraw/zinc/05/65/11/247056511.db2.gz JEOPOROXEFEMBY-ZDUSSCGKSA-N 1 0 339.355 2.962 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cs1 ZINC000425368282 247061036 /nfs/dbraw/zinc/06/10/36/247061036.db2.gz DNJWMAYVQFTOKQ-OAHLLOKOSA-N 1 0 340.445 2.704 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425370782 247063302 /nfs/dbraw/zinc/06/33/02/247063302.db2.gz KFXKCFYPVXYPND-KRWDZBQOSA-N 1 0 334.416 2.642 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000087324256 217724516 /nfs/dbraw/zinc/72/45/16/217724516.db2.gz MLDXQJONWFSBLY-RHSMWYFYSA-N 1 0 333.432 2.716 10 5 EFBERO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000425515272 247116812 /nfs/dbraw/zinc/11/68/12/247116812.db2.gz RZCMQLCWUNJQPN-UHFFFAOYSA-N 1 0 338.795 2.978 10 5 EFBERO Cc1c(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000425548297 247129915 /nfs/dbraw/zinc/12/99/15/247129915.db2.gz UHUQWQDDGHIKTP-GOSISDBHSA-N 1 0 348.443 2.951 10 5 EFBERO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000426104534 247236699 /nfs/dbraw/zinc/23/66/99/247236699.db2.gz YVIOPXLHSQCHHB-GOSISDBHSA-N 1 0 342.399 2.707 10 5 EFBERO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000426104539 247236860 /nfs/dbraw/zinc/23/68/60/247236860.db2.gz YVIOPXLHSQCHHB-SFHVURJKSA-N 1 0 342.399 2.707 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433303040 248041223 /nfs/dbraw/zinc/04/12/23/248041223.db2.gz ZMEHQOZKCSQXDC-CQSZACIVSA-N 1 0 347.802 2.899 10 5 EFBERO CCOC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000434622393 248171417 /nfs/dbraw/zinc/17/14/17/248171417.db2.gz DIUMYMQKGUECIK-UHFFFAOYSA-N 1 0 346.387 2.827 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[C@@H]3O)cs2)c1 ZINC000266136187 248121823 /nfs/dbraw/zinc/12/18/23/248121823.db2.gz FTSXEHJQXKVNPT-DOMZBBRYSA-N 1 0 333.413 2.969 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266512238 248338977 /nfs/dbraw/zinc/33/89/77/248338977.db2.gz GYRFIAZUYMZOMW-MQVJKMGUSA-N 1 0 346.431 2.752 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000441212574 250008792 /nfs/dbraw/zinc/00/87/92/250008792.db2.gz UIKDWWBAYLIPGV-CHWSQXEVSA-N 1 0 331.372 2.985 10 5 EFBERO CC1(C)CCC[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000444605745 250315894 /nfs/dbraw/zinc/31/58/94/250315894.db2.gz DDXRXJMUHSQKAT-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449418704 251019860 /nfs/dbraw/zinc/01/98/60/251019860.db2.gz FBLJVFOFCCNHJC-GXFFZTMASA-N 1 0 330.331 2.789 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CF)CCOCC1 ZINC000449483637 251040462 /nfs/dbraw/zinc/04/04/62/251040462.db2.gz BOUIFGLTUZCUSP-UHFFFAOYSA-N 1 0 326.368 2.849 10 5 EFBERO COc1cc(C[NH2+]CCc2ncccc2C)c([N+](=O)[O-])cc1OC ZINC000449487987 251043384 /nfs/dbraw/zinc/04/33/84/251043384.db2.gz BMNJBIQYCKFDKO-UHFFFAOYSA-N 1 0 331.372 2.648 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000267440412 251059740 /nfs/dbraw/zinc/05/97/40/251059740.db2.gz YROUQKYSNGCHLO-QWRGUYRKSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676596 251113570 /nfs/dbraw/zinc/11/35/70/251113570.db2.gz IJLPYZUWBSHBMR-CXAGYDPISA-N 1 0 346.383 2.827 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000449776932 251151452 /nfs/dbraw/zinc/15/14/52/251151452.db2.gz PIDQNTXPRGNPCQ-CYBMUJFWSA-N 1 0 338.404 2.861 10 5 EFBERO O=[N+]([O-])c1ccc2c(ccnc2NC2CC([NH+]3CCCCC3)C2)c1 ZINC000450493267 251398644 /nfs/dbraw/zinc/39/86/44/251398644.db2.gz AWJRSTPULCVFHG-UHFFFAOYSA-N 1 0 326.400 2.994 10 5 EFBERO C[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453445464 252038761 /nfs/dbraw/zinc/03/87/61/252038761.db2.gz YLXLZUWGBSALOO-RBUKOAKNSA-N 1 0 339.395 2.943 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCc4ccccc43)CC2)nc1 ZINC000097055645 218936984 /nfs/dbraw/zinc/93/69/84/218936984.db2.gz IFPCLSHZMRNVBJ-MRXNPFEDSA-N 1 0 338.411 2.842 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)c2ccccc2)n1 ZINC000447582193 285169175 /nfs/dbraw/zinc/16/91/75/285169175.db2.gz YMSIZTWLZCNGAU-BRWVUGGUSA-N 1 0 344.415 2.641 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756455 221086897 /nfs/dbraw/zinc/08/68/97/221086897.db2.gz GMILBGGMRMHLGW-GFCCVEGCSA-N 1 0 339.823 2.781 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119212583 221267049 /nfs/dbraw/zinc/26/70/49/221267049.db2.gz PWOPUFVANDRFCS-OAHLLOKOSA-N 1 0 344.415 2.561 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1cccnc1 ZINC000342274942 533385364 /nfs/dbraw/zinc/38/53/64/533385364.db2.gz IFFFVHDXSZNRJT-XMCSSRMMSA-N 1 0 327.384 2.759 10 5 EFBERO Cn1ccnc1CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105876547 141356685 /nfs/dbraw/zinc/35/66/85/141356685.db2.gz CWIGNSCVVZRKST-UHFFFAOYSA-N 1 0 344.415 2.662 10 5 EFBERO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000344437141 142016751 /nfs/dbraw/zinc/01/67/51/142016751.db2.gz IJPCLSKHRXLUGS-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)cn1 ZINC000344440111 142017054 /nfs/dbraw/zinc/01/70/54/142017054.db2.gz UMALPTDECHEFNO-UHFFFAOYSA-N 1 0 346.416 2.534 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000344576628 142042779 /nfs/dbraw/zinc/04/27/79/142042779.db2.gz NDTZNVFXJCXOPO-UHFFFAOYSA-N 1 0 325.434 2.778 10 5 EFBERO COCCN1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799731 142080416 /nfs/dbraw/zinc/08/04/16/142080416.db2.gz ZFTSEWRUUCFJHA-OTMARIDSSA-N 1 0 333.432 2.699 10 5 EFBERO CCc1cc(CCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000347739750 142264808 /nfs/dbraw/zinc/26/48/08/142264808.db2.gz SYVHTJXKSPJYLX-UHFFFAOYSA-N 1 0 344.415 2.900 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccsc1 ZINC000349381686 142326718 /nfs/dbraw/zinc/32/67/18/142326718.db2.gz QLSKCZKOGPVAPK-XHDPSFHLSA-N 1 0 349.412 2.697 10 5 EFBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343622372 145255250 /nfs/dbraw/zinc/25/52/50/145255250.db2.gz WLXHXRSVUYBIPH-ZDUSSCGKSA-N 1 0 343.383 2.802 10 5 EFBERO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CC=CCC1 ZINC000344063903 145359249 /nfs/dbraw/zinc/35/92/49/145359249.db2.gz OFZFRDCOTCVWEC-AWEZNQCLSA-N 1 0 329.400 2.772 10 5 EFBERO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423514 145945360 /nfs/dbraw/zinc/94/53/60/145945360.db2.gz VGKMVTWUZFECCE-GJZGRUSLSA-N 1 0 340.445 2.783 10 5 EFBERO [NH3+]CCN(Cc1cc(-n2ccnc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000348918317 146024713 /nfs/dbraw/zinc/02/47/13/146024713.db2.gz BRSQHALGMQZHGV-UHFFFAOYSA-N 1 0 343.412 2.807 10 5 EFBERO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351526066 146138255 /nfs/dbraw/zinc/13/82/55/146138255.db2.gz VUTMJVXLGGHABE-CABCVRRESA-N 1 0 346.435 2.917 10 5 EFBERO COc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352037972 146273151 /nfs/dbraw/zinc/27/31/51/146273151.db2.gz BUWIMERARQTDCJ-UHFFFAOYSA-N 1 0 338.429 2.701 10 5 EFBERO COc1c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355803171 147068966 /nfs/dbraw/zinc/06/89/66/147068966.db2.gz RCHBTDOIOHZVDK-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO COc1c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355821910 147074798 /nfs/dbraw/zinc/07/47/98/147074798.db2.gz AQQRIHCWPLAACW-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356396944 147234114 /nfs/dbraw/zinc/23/41/14/147234114.db2.gz VJVMIQXGPKLAGC-ZDUSSCGKSA-N 1 0 337.445 2.921 10 5 EFBERO CC[N@H+](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000356807361 147340844 /nfs/dbraw/zinc/34/08/44/147340844.db2.gz KYRZYYAMRVEPTK-UHFFFAOYSA-N 1 0 342.193 2.780 10 5 EFBERO CC[C@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003004 147396162 /nfs/dbraw/zinc/39/61/62/147396162.db2.gz ZFWJILFUNJLWIH-QAPCUYQASA-N 1 0 333.432 2.922 10 5 EFBERO C[C@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000359563517 148124334 /nfs/dbraw/zinc/12/43/34/148124334.db2.gz SPECMNDMJPOQPG-LIRRHRJNSA-N 1 0 343.427 2.996 10 5 EFBERO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359635967 148146591 /nfs/dbraw/zinc/14/65/91/148146591.db2.gz OQSQAIBBBBMHGW-CHWSQXEVSA-N 1 0 349.431 2.905 10 5 EFBERO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359635966 148146980 /nfs/dbraw/zinc/14/69/80/148146980.db2.gz OQSQAIBBBBMHGW-BETUJISGSA-N 1 0 349.431 2.905 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361159648 148558697 /nfs/dbraw/zinc/55/86/97/148558697.db2.gz NXHVLLDRYSGTLZ-UHFFFAOYSA-N 1 0 348.447 2.831 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000363874446 149025174 /nfs/dbraw/zinc/02/51/74/149025174.db2.gz JFPFKDXXXDYLFF-HNNXBMFYSA-N 1 0 346.431 2.718 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000364358173 149134760 /nfs/dbraw/zinc/13/47/60/149134760.db2.gz JFGDZFPAEUCKPR-AWEZNQCLSA-N 1 0 328.372 2.773 10 5 EFBERO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368092091 150034463 /nfs/dbraw/zinc/03/44/63/150034463.db2.gz IWMMUFLBWBZNJZ-YWPYICTPSA-N 1 0 333.388 2.805 10 5 EFBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368092165 150034525 /nfs/dbraw/zinc/03/45/25/150034525.db2.gz JIHNZWBOSMYMEU-MRVPVSSYSA-N 1 0 335.751 2.650 10 5 EFBERO COCC[C@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368656641 150172638 /nfs/dbraw/zinc/17/26/38/150172638.db2.gz ZJRSTMMSZACZJD-OAHLLOKOSA-N 1 0 349.431 2.696 10 5 EFBERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374012916 151268084 /nfs/dbraw/zinc/26/80/84/151268084.db2.gz GKXMGZHTYPRVPI-VKJFTORMSA-N 1 0 334.416 2.796 10 5 EFBERO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374012912 151268174 /nfs/dbraw/zinc/26/81/74/151268174.db2.gz GKXMGZHTYPRVPI-RKVPGOIHSA-N 1 0 334.416 2.796 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374149801 151291821 /nfs/dbraw/zinc/29/18/21/151291821.db2.gz BXWRKCFLZNYNNH-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO Cc1cc(F)cc([C@@]2(F)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330083 151325058 /nfs/dbraw/zinc/32/50/58/151325058.db2.gz WGJIBWGSHCZIEK-MRXNPFEDSA-N 1 0 336.342 2.810 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000374633321 151385736 /nfs/dbraw/zinc/38/57/36/151385736.db2.gz VIUHONRATIRLKQ-SWLSCSKDSA-N 1 0 326.780 2.676 10 5 EFBERO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000378365015 152068216 /nfs/dbraw/zinc/06/82/16/152068216.db2.gz SSOQVZXPSPFGTN-RDJZCZTQSA-N 1 0 348.378 2.556 10 5 EFBERO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000378365013 152068275 /nfs/dbraw/zinc/06/82/75/152068275.db2.gz SSOQVZXPSPFGTN-DOTOQJQBSA-N 1 0 348.378 2.556 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000158423748 225012919 /nfs/dbraw/zinc/01/29/19/225012919.db2.gz CRFATLYMZVHSDA-JQWIXIFHSA-N 1 0 325.796 2.803 10 5 EFBERO CCC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000122881704 222176395 /nfs/dbraw/zinc/17/63/95/222176395.db2.gz BYTKYKOICQZWBO-KRWDZBQOSA-N 1 0 349.431 2.695 10 5 EFBERO CCC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000122881925 222176557 /nfs/dbraw/zinc/17/65/57/222176557.db2.gz BYTKYKOICQZWBO-QGZVFWFLSA-N 1 0 349.431 2.695 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123968111 222359524 /nfs/dbraw/zinc/35/95/24/222359524.db2.gz ODIJUXGRFMDPIS-YPMHNXCESA-N 1 0 339.823 2.732 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171641879 227192049 /nfs/dbraw/zinc/19/20/49/227192049.db2.gz KJLGQDLYGNEXPC-INIZCTEOSA-N 1 0 326.400 2.966 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184775730 265027156 /nfs/dbraw/zinc/02/71/56/265027156.db2.gz GHNKNESLCPMPRE-HNNXBMFYSA-N 1 0 346.358 2.532 10 5 EFBERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000191214262 265255830 /nfs/dbraw/zinc/25/58/30/265255830.db2.gz FTFJJRGOYCFMHV-XYPHTWIQSA-N 1 0 348.399 2.637 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)F ZINC000271173824 265906853 /nfs/dbraw/zinc/90/68/53/265906853.db2.gz UTQHFZUKEADJRC-SKDRFNHKSA-N 1 0 338.351 2.978 10 5 EFBERO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272264367 266208520 /nfs/dbraw/zinc/20/85/20/266208520.db2.gz AEAJPDIALMRUGZ-CZUORRHYSA-N 1 0 349.431 2.652 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272515880 266291783 /nfs/dbraw/zinc/29/17/83/266291783.db2.gz XNOODYQSVTUNCX-NSHDSACASA-N 1 0 346.330 2.516 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778246 266379880 /nfs/dbraw/zinc/37/98/80/266379880.db2.gz RCILCKIAMKEGMD-SUMWQHHRSA-N 1 0 346.431 2.996 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@H](C)C1 ZINC000277727521 267246123 /nfs/dbraw/zinc/24/61/23/267246123.db2.gz PWQFDYQVGSMZHV-IUODEOHRSA-N 1 0 337.395 2.845 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277781567 267262014 /nfs/dbraw/zinc/26/20/14/267262014.db2.gz VGYVUELOROMOBV-MRXNPFEDSA-N 1 0 343.431 2.704 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000277988741 267315671 /nfs/dbraw/zinc/31/56/71/267315671.db2.gz NARCOAAHMMKYMW-GFCCVEGCSA-N 1 0 339.823 2.970 10 5 EFBERO CC[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176140742 273031559 /nfs/dbraw/zinc/03/15/59/273031559.db2.gz OLBJUXKIYDMSJI-MRXNPFEDSA-N 1 0 334.420 2.687 10 5 EFBERO COC[C@H](O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039079 273043842 /nfs/dbraw/zinc/04/38/42/273043842.db2.gz RKLDRSKVUVNGJT-MSOLQXFVSA-N 1 0 330.384 2.671 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194319350 273068396 /nfs/dbraw/zinc/06/83/96/273068396.db2.gz YYIRAUZEWNAUET-JTQLQIEISA-N 1 0 326.784 2.854 10 5 EFBERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194517777 273069871 /nfs/dbraw/zinc/06/98/71/273069871.db2.gz TXNMHPNXZHAFRI-LBPRGKRZSA-N 1 0 340.383 2.979 10 5 EFBERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194517789 273069889 /nfs/dbraw/zinc/06/98/89/273069889.db2.gz TXNMHPNXZHAFRI-GFCCVEGCSA-N 1 0 340.383 2.979 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000271113304 273098540 /nfs/dbraw/zinc/09/85/40/273098540.db2.gz HUCPCLZOYTZTEO-DNOWBOINSA-N 1 0 349.431 2.949 10 5 EFBERO Cc1ccc(NCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000279361709 273206809 /nfs/dbraw/zinc/20/68/09/273206809.db2.gz GDWRSMZTINAWDW-GJZGRUSLSA-N 1 0 348.447 2.552 10 5 EFBERO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000279384511 273209478 /nfs/dbraw/zinc/20/94/78/273209478.db2.gz JNDZWGGZKZNDRC-GOSISDBHSA-N 1 0 341.367 2.567 10 5 EFBERO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CN1 ZINC000279523614 273224289 /nfs/dbraw/zinc/22/42/89/273224289.db2.gz YOBVOHGSRNUJKD-SFHVURJKSA-N 1 0 341.367 2.567 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497377 273571417 /nfs/dbraw/zinc/57/14/17/273571417.db2.gz XXLWNNIJVXWYSP-HUUCEWRRSA-N 1 0 330.388 2.908 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033823 273788652 /nfs/dbraw/zinc/78/86/52/273788652.db2.gz JLWUKNBIHUUPQP-ZBEGNZNMSA-N 1 0 331.372 2.570 10 5 EFBERO O=c1[nH]c(NCCC[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000285996347 274114141 /nfs/dbraw/zinc/11/41/41/274114141.db2.gz DBBJGVZIVBZEMK-UHFFFAOYSA-N 1 0 331.376 2.532 10 5 EFBERO Cc1cc(N2CCO[C@]3(CCCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286655965 274244839 /nfs/dbraw/zinc/24/48/39/274244839.db2.gz UYOYYYNGNFRDQO-GOSISDBHSA-N 1 0 343.383 2.837 10 5 EFBERO C[C@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCCC1 ZINC000286755927 274266847 /nfs/dbraw/zinc/26/68/47/274266847.db2.gz HEVKIKARMSKSLT-GFCCVEGCSA-N 1 0 345.403 2.920 10 5 EFBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000154906771 274292820 /nfs/dbraw/zinc/29/28/20/274292820.db2.gz DNOAMBPDXJDSTM-GFCCVEGCSA-N 1 0 334.376 2.956 10 5 EFBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419009600 274362983 /nfs/dbraw/zinc/36/29/83/274362983.db2.gz WIPJZUNBGRUFAC-GHMZBOCLSA-N 1 0 347.337 2.505 10 5 EFBERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287227690 274372827 /nfs/dbraw/zinc/37/28/27/274372827.db2.gz QLSHHHFHKPSERS-SJKOYZFVSA-N 1 0 342.399 2.775 10 5 EFBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288456342 274596784 /nfs/dbraw/zinc/59/67/84/274596784.db2.gz PSKRGGIQUGFBHZ-GXTWGEPZSA-N 1 0 342.399 2.775 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc2ccccn21)C1CC1 ZINC000183824977 275040012 /nfs/dbraw/zinc/04/00/12/275040012.db2.gz GOSGYFWJBZVVPU-HNNXBMFYSA-N 1 0 337.383 2.748 10 5 EFBERO CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000121026269 276053140 /nfs/dbraw/zinc/05/31/40/276053140.db2.gz LBFYUHDDARFIHQ-INIZCTEOSA-N 1 0 333.432 2.625 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262762 276225545 /nfs/dbraw/zinc/22/55/45/276225545.db2.gz MVIVXIBHTRUGFP-DOMZBBRYSA-N 1 0 339.411 2.905 10 5 EFBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451588114 277084796 /nfs/dbraw/zinc/08/47/96/277084796.db2.gz DKGZJWIMGPUIOB-YPMHNXCESA-N 1 0 340.351 2.564 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432162764 278076549 /nfs/dbraw/zinc/07/65/49/278076549.db2.gz LTJMDMPDJDRBNA-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375240016 278157088 /nfs/dbraw/zinc/15/70/88/278157088.db2.gz HFSNIROPFXUPCR-ZIAGYGMSSA-N 1 0 347.415 2.813 10 5 EFBERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191169588 279639913 /nfs/dbraw/zinc/63/99/13/279639913.db2.gz LMWQWJOQDXHTIB-RYUDHWBXSA-N 1 0 331.372 2.984 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000152708392 293345690 /nfs/dbraw/zinc/34/56/90/293345690.db2.gz BYYXZSISKAEZSQ-MRXNPFEDSA-N 1 0 334.420 2.514 10 5 EFBERO Cc1cccc(OC[C@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153356842 293371821 /nfs/dbraw/zinc/37/18/21/293371821.db2.gz NNLOVFNZVKRVKW-MRXNPFEDSA-N 1 0 342.395 2.701 10 5 EFBERO C[C@@H](C(=O)N1CCC(C)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355137 293372344 /nfs/dbraw/zinc/37/23/44/293372344.db2.gz KFJSOYGFUZAVGJ-AWEZNQCLSA-N 1 0 331.416 2.600 10 5 EFBERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000153890294 293399051 /nfs/dbraw/zinc/39/90/51/293399051.db2.gz WICFXUGWROHNAJ-OAHLLOKOSA-N 1 0 343.383 2.955 10 5 EFBERO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000378365014 294294811 /nfs/dbraw/zinc/29/48/11/294294811.db2.gz SSOQVZXPSPFGTN-NVXWUHKLSA-N 1 0 348.378 2.556 10 5 EFBERO COc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000291207275 294310279 /nfs/dbraw/zinc/31/02/79/294310279.db2.gz GSKHENSANLVGHG-MRXNPFEDSA-N 1 0 339.367 2.754 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291369416 294361366 /nfs/dbraw/zinc/36/13/66/294361366.db2.gz AGTAFMQOXHSEQQ-VIFPVBQESA-N 1 0 346.214 2.973 10 5 EFBERO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000291763994 294476633 /nfs/dbraw/zinc/47/66/33/294476633.db2.gz RXSTZBIRCAKMBL-UHFFFAOYSA-N 1 0 328.796 2.781 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H](O)C2)s1 ZINC000294902643 295243485 /nfs/dbraw/zinc/24/34/85/295243485.db2.gz XJUBFXGZTWURHF-LBPRGKRZSA-N 1 0 334.397 2.516 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295139918 295273526 /nfs/dbraw/zinc/27/35/26/295273526.db2.gz CAIKHPCMGONDJA-GXFFZTMASA-N 1 0 332.360 2.863 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295139920 295273555 /nfs/dbraw/zinc/27/35/55/295273555.db2.gz CAIKHPCMGONDJA-MFKMUULPSA-N 1 0 332.360 2.863 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295765428 295372938 /nfs/dbraw/zinc/37/29/38/295372938.db2.gz WHWKDFHVCVSMAZ-AYYGCFCKSA-N 1 0 343.427 2.941 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295776231 295374357 /nfs/dbraw/zinc/37/43/57/295374357.db2.gz TUXYWLIPWQSMLP-QGZVFWFLSA-N 1 0 334.416 2.645 10 5 EFBERO Cc1cc(N2CCCC[C@H]2C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235831563 301334209 /nfs/dbraw/zinc/33/42/09/301334209.db2.gz JXPWFRXHUZIKDK-JTQLQIEISA-N 1 0 328.210 2.983 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180415011 310799296 /nfs/dbraw/zinc/79/92/96/310799296.db2.gz ORCUYEBEJQHFHU-PBHICJAKSA-N 1 0 330.384 2.994 10 5 EFBERO CCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000299409311 311081717 /nfs/dbraw/zinc/08/17/17/311081717.db2.gz OLWPUZYPHITGCM-UHFFFAOYSA-N 1 0 334.401 2.999 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000299551477 311096084 /nfs/dbraw/zinc/09/60/84/311096084.db2.gz KZWPCYYYEQSPRI-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000301061813 311116646 /nfs/dbraw/zinc/11/66/46/311116646.db2.gz CHCXGMHVJKNHTB-ACJLOTCBSA-N 1 0 348.447 2.877 10 5 EFBERO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301472610 311139082 /nfs/dbraw/zinc/13/90/82/311139082.db2.gz LCHVRYNNILLLKV-LESCRADOSA-N 1 0 331.416 2.662 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000301477701 311139436 /nfs/dbraw/zinc/13/94/36/311139436.db2.gz PRFFHKAOEKAXGL-LNSITVRQSA-N 1 0 335.379 2.663 10 5 EFBERO COC(=O)c1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301768973 311157390 /nfs/dbraw/zinc/15/73/90/311157390.db2.gz IIWFEIHPKHPEQX-ZDUSSCGKSA-N 1 0 347.415 2.835 10 5 EFBERO Cc1ccc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301805098 311159287 /nfs/dbraw/zinc/15/92/87/311159287.db2.gz DWCDCTKFMMCBOD-INIZCTEOSA-N 1 0 332.448 2.510 10 5 EFBERO Cc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301815886 311160325 /nfs/dbraw/zinc/16/03/25/311160325.db2.gz IWYVAPNPKLWKIF-MRXNPFEDSA-N 1 0 333.432 2.984 10 5 EFBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000301847543 311162413 /nfs/dbraw/zinc/16/24/13/311162413.db2.gz UYDFOMUFONIGAX-ZDUSSCGKSA-N 1 0 332.408 2.560 10 5 EFBERO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301872115 311163944 /nfs/dbraw/zinc/16/39/44/311163944.db2.gz XAVHAZUJIQFFOX-BYICEURKSA-N 1 0 344.459 2.650 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301879335 311164270 /nfs/dbraw/zinc/16/42/70/311164270.db2.gz ZICPVOQPDQJBAE-QGZVFWFLSA-N 1 0 333.432 2.984 10 5 EFBERO C[C@@H]1CCC[N@H+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301923113 311167045 /nfs/dbraw/zinc/16/70/45/311167045.db2.gz LNRIBLDJDVQAER-CYBMUJFWSA-N 1 0 332.408 2.562 10 5 EFBERO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302002994 311171471 /nfs/dbraw/zinc/17/14/71/311171471.db2.gz REKOGGIBOZSPTO-ZDUSSCGKSA-N 1 0 332.408 2.704 10 5 EFBERO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+](C)Cc1ccccc1 ZINC000302005955 311171710 /nfs/dbraw/zinc/17/17/10/311171710.db2.gz TWVYDOOWWVPZBB-ZDUSSCGKSA-N 1 0 340.387 2.570 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000302093760 311177361 /nfs/dbraw/zinc/17/73/61/311177361.db2.gz NBWFBWKOENSQML-ZDUSSCGKSA-N 1 0 335.404 2.914 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]2CCC1CC2 ZINC000302761476 311199863 /nfs/dbraw/zinc/19/98/63/311199863.db2.gz KJVRZEWUXLZKPL-UHFFFAOYSA-N 1 0 326.194 2.642 10 5 EFBERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000313032905 311230818 /nfs/dbraw/zinc/23/08/18/311230818.db2.gz UILLTFUPUFXSQE-GFCCVEGCSA-N 1 0 329.194 2.872 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000330764061 311333663 /nfs/dbraw/zinc/33/36/63/311333663.db2.gz PFWWEQMQFVTJEU-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415115835 312096748 /nfs/dbraw/zinc/09/67/48/312096748.db2.gz ABQBEAHHTOLFQI-ZWKOTPCHSA-N 1 0 329.375 2.969 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415293199 312125780 /nfs/dbraw/zinc/12/57/80/312125780.db2.gz IOCULTIZCSTEJQ-PBWFPOADSA-N 1 0 332.404 2.958 10 5 EFBERO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415451579 312140900 /nfs/dbraw/zinc/14/09/00/312140900.db2.gz XMUFHXBBYICQDM-SECBINFHSA-N 1 0 346.309 2.877 10 5 EFBERO Cc1c(NC(=O)NCCCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415668292 312163065 /nfs/dbraw/zinc/16/30/65/312163065.db2.gz ZHYIQEOUEJFDJF-UHFFFAOYSA-N 1 0 345.197 2.526 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415767280 312170583 /nfs/dbraw/zinc/17/05/83/312170583.db2.gz UDVOPJRXLVERNA-QGZVFWFLSA-N 1 0 332.404 2.765 10 5 EFBERO C[NH2+]Cc1ccccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415909843 312180607 /nfs/dbraw/zinc/18/06/07/312180607.db2.gz GSAOQKVCQNDQRT-UHFFFAOYSA-N 1 0 340.383 2.904 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417845428 312280230 /nfs/dbraw/zinc/28/02/30/312280230.db2.gz IKGPEZWVCRXPGI-SWLSCSKDSA-N 1 0 332.404 2.500 10 5 EFBERO CC1(C)C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489721 312423904 /nfs/dbraw/zinc/42/39/04/312423904.db2.gz WXWFJFCULHRDMH-ZIAGYGMSSA-N 1 0 325.359 2.904 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423935468 312484501 /nfs/dbraw/zinc/48/45/01/312484501.db2.gz AFIIFJKYKQNKES-SMDDNHRTSA-N 1 0 337.807 2.852 10 5 EFBERO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423956106 312488964 /nfs/dbraw/zinc/48/89/64/312488964.db2.gz AGWBCOOCXQGPKP-HZPDHXFCSA-N 1 0 331.416 2.761 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253044 314292591 /nfs/dbraw/zinc/29/25/91/314292591.db2.gz JGDWRGKDYAHDEK-XJKSGUPXSA-N 1 0 346.431 2.842 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[NH+]2CCC1CC2 ZINC000505401939 315456669 /nfs/dbraw/zinc/45/66/69/315456669.db2.gz GZGSIHGEUHQCEQ-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510958555 315512352 /nfs/dbraw/zinc/51/23/52/315512352.db2.gz LYGYYWYPWDQYOA-CZUORRHYSA-N 1 0 349.431 2.843 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186291 315661006 /nfs/dbraw/zinc/66/10/06/315661006.db2.gz ZMGMNNUZJBKUQR-YGRLFVJLSA-N 1 0 343.811 2.573 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)c2ccccc2CC[NH3+])cc1[N+](=O)[O-] ZINC000517243308 315750445 /nfs/dbraw/zinc/75/04/45/315750445.db2.gz GZEOMGRKPVWVTR-ZDUSSCGKSA-N 1 0 327.384 2.895 10 5 EFBERO COC(=O)CC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000521226376 316009367 /nfs/dbraw/zinc/00/93/67/316009367.db2.gz MJHSMLXIVBWFNT-UHFFFAOYSA-N 1 0 331.372 2.550 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000524590525 316162003 /nfs/dbraw/zinc/16/20/03/316162003.db2.gz KLTLLWZOBXDYOH-QGZVFWFLSA-N 1 0 346.431 2.755 10 5 EFBERO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000531629428 317293561 /nfs/dbraw/zinc/29/35/61/317293561.db2.gz KXYPKMFEADUMPZ-UHFFFAOYSA-N 1 0 325.328 2.768 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531633421 317293846 /nfs/dbraw/zinc/29/38/46/317293846.db2.gz VTXAVBBRDBRNMP-QGZVFWFLSA-N 1 0 342.399 2.803 10 5 EFBERO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531633338 317294110 /nfs/dbraw/zinc/29/41/10/317294110.db2.gz GHORBJHAQRDYJE-UHFFFAOYSA-N 1 0 342.399 2.762 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000531898156 317329550 /nfs/dbraw/zinc/32/95/50/317329550.db2.gz XMIZSJSOYDGPDD-HNNXBMFYSA-N 1 0 348.428 2.864 10 5 EFBERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532138472 317360999 /nfs/dbraw/zinc/36/09/99/317360999.db2.gz NJKBCMBUKIIGKU-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C2 ZINC000549921250 318184956 /nfs/dbraw/zinc/18/49/56/318184956.db2.gz UYLILOBROWMXTQ-INIZCTEOSA-N 1 0 330.359 2.696 10 5 EFBERO CCC(C)(C)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564854120 318900623 /nfs/dbraw/zinc/90/06/23/318900623.db2.gz MDXZXYXTSSJVFT-KRWDZBQOSA-N 1 0 346.431 2.630 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566974339 319127512 /nfs/dbraw/zinc/12/75/12/319127512.db2.gz YQXRBLORCSWWKM-INIZCTEOSA-N 1 0 341.358 2.772 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000567448110 319171941 /nfs/dbraw/zinc/17/19/41/319171941.db2.gz AERGUODBQJEFSX-INIZCTEOSA-N 1 0 347.415 2.611 10 5 EFBERO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567691419 319198350 /nfs/dbraw/zinc/19/83/50/319198350.db2.gz XAGAAOWCRNNFIS-HIFRSBDPSA-N 1 0 348.399 2.847 10 5 EFBERO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567691420 319198523 /nfs/dbraw/zinc/19/85/23/319198523.db2.gz XAGAAOWCRNNFIS-UKRRQHHQSA-N 1 0 348.399 2.847 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000567750132 319207286 /nfs/dbraw/zinc/20/72/86/319207286.db2.gz IJYFBNTXMHBYSI-AWEZNQCLSA-N 1 0 330.432 2.791 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c([N+](=O)[O-])cc1OC ZINC000568782450 319318692 /nfs/dbraw/zinc/31/86/92/319318692.db2.gz QQWSCCYBQQJPNF-OAHLLOKOSA-N 1 0 343.383 2.971 10 5 EFBERO [NH3+]C[C@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000568866200 319325502 /nfs/dbraw/zinc/32/55/02/319325502.db2.gz KABSBGHEZMCLDG-KRWDZBQOSA-N 1 0 327.384 2.532 10 5 EFBERO CC1(C(N)=O)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000571522517 319582551 /nfs/dbraw/zinc/58/25/51/319582551.db2.gz DBUPWNWRIARHRZ-UHFFFAOYSA-N 1 0 331.397 2.631 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)nc2c1 ZINC000571730797 319601240 /nfs/dbraw/zinc/60/12/40/319601240.db2.gz SYTDXTDXGRDAGT-GOEBONIOSA-N 1 0 345.403 2.526 10 5 EFBERO CC(C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000572993132 319724453 /nfs/dbraw/zinc/72/44/53/319724453.db2.gz OQPKUBAHGMSVMJ-WMLDXEAASA-N 1 0 349.431 2.964 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000576905744 320059235 /nfs/dbraw/zinc/05/92/35/320059235.db2.gz RKXLZGUKAOQVBH-NSHDSACASA-N 1 0 325.796 2.628 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000576905743 320059260 /nfs/dbraw/zinc/05/92/60/320059260.db2.gz RKXLZGUKAOQVBH-LLVKDONJSA-N 1 0 325.796 2.628 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000581373040 324363638 /nfs/dbraw/zinc/36/36/38/324363638.db2.gz HXNDGFXHGRSIDE-BXUZGUMPSA-N 1 0 334.376 2.532 10 5 EFBERO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000581618347 324423028 /nfs/dbraw/zinc/42/30/28/324423028.db2.gz ZAADVRPUEAEUHQ-CYBMUJFWSA-N 1 0 331.397 2.663 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000583531290 324827321 /nfs/dbraw/zinc/82/73/21/324827321.db2.gz VOSHRBFTXBMQQZ-UHFFFAOYSA-N 1 0 341.411 2.968 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000137587883 473209756 /nfs/dbraw/zinc/20/97/56/473209756.db2.gz RRMJGHPFKIZGAR-GFCCVEGCSA-N 1 0 337.445 2.778 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000161387189 473231979 /nfs/dbraw/zinc/23/19/79/473231979.db2.gz RZWFGHKSOVXXJF-HZMBPMFUSA-N 1 0 325.796 2.707 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000124514472 473254306 /nfs/dbraw/zinc/25/43/06/473254306.db2.gz CHCQVIIJJAZKRD-GHMZBOCLSA-N 1 0 325.796 2.803 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000176968224 473277187 /nfs/dbraw/zinc/27/71/87/473277187.db2.gz LDAWKEVCATZGNC-OAHLLOKOSA-N 1 0 346.431 2.725 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290640 /nfs/dbraw/zinc/29/06/40/473290640.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 1 0 340.427 2.944 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171168011 473308268 /nfs/dbraw/zinc/30/82/68/473308268.db2.gz ZRXMYAUMAFTZEL-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000083026653 473312691 /nfs/dbraw/zinc/31/26/91/473312691.db2.gz CEMZIWNTPFONHM-GJZGRUSLSA-N 1 0 349.431 2.522 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162237562 473320097 /nfs/dbraw/zinc/32/00/97/473320097.db2.gz OIZZYBLSENKOLB-MWLCHTKSSA-N 1 0 329.194 2.872 10 5 EFBERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000112919367 473332204 /nfs/dbraw/zinc/33/22/04/473332204.db2.gz HQSYMBAWGARQJT-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000124971887 473334665 /nfs/dbraw/zinc/33/46/65/473334665.db2.gz UHBFIUKSCOYPPN-MRXNPFEDSA-N 1 0 341.411 2.806 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150738249 473343719 /nfs/dbraw/zinc/34/37/19/473343719.db2.gz FLNQKMUNYNUJMA-HNNXBMFYSA-N 1 0 331.416 2.994 10 5 EFBERO COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232533 473378429 /nfs/dbraw/zinc/37/84/29/473378429.db2.gz FJQHDCRLGADJNT-OCCSQVGLSA-N 1 0 345.403 2.827 10 5 EFBERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000311766241 474842390 /nfs/dbraw/zinc/84/23/90/474842390.db2.gz IYGSSWMGFBXMLD-ZDUSSCGKSA-N 1 0 328.210 2.841 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603053 471553892 /nfs/dbraw/zinc/55/38/92/471553892.db2.gz XFEQPLYOXMIRKI-LRDDRELGSA-N 1 0 334.347 2.824 10 5 EFBERO CC[N@@H+]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713427 472039913 /nfs/dbraw/zinc/03/99/13/472039913.db2.gz LOZAQRUWZAEYGJ-JTQLQIEISA-N 1 0 329.198 2.649 10 5 EFBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000067652916 472066351 /nfs/dbraw/zinc/06/63/51/472066351.db2.gz JBAGWCBCGWLYOI-KRWDZBQOSA-N 1 0 349.431 2.697 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068223025 472151837 /nfs/dbraw/zinc/15/18/37/472151837.db2.gz MEHUKQUHDWFEOU-LBPRGKRZSA-N 1 0 327.812 2.954 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000652 472276926 /nfs/dbraw/zinc/27/69/26/472276926.db2.gz UAEVDVCYEVAFIA-HZRUHFOJSA-N 1 0 333.388 2.676 10 5 EFBERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076120796 472278790 /nfs/dbraw/zinc/27/87/90/472278790.db2.gz AZSBLVYDBJHZPL-KCXAZCMYSA-N 1 0 348.403 2.527 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056347442 472309524 /nfs/dbraw/zinc/30/95/24/472309524.db2.gz MSXITPGEWMPXFC-MRXNPFEDSA-N 1 0 342.399 2.889 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076486772 472354301 /nfs/dbraw/zinc/35/43/01/472354301.db2.gz OIPFCRZJCWKAKF-GDBMZVCRSA-N 1 0 348.447 2.586 10 5 EFBERO Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000069528908 472363938 /nfs/dbraw/zinc/36/39/38/472363938.db2.gz IFFCTQGAMXMFFX-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000045124266 472374288 /nfs/dbraw/zinc/37/42/88/472374288.db2.gz UQTXHBFVBXKONM-CQSZACIVSA-N 1 0 347.440 2.867 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000097035156 472418238 /nfs/dbraw/zinc/41/82/38/472418238.db2.gz KDXAVLPGVJZXPN-AWEZNQCLSA-N 1 0 343.383 2.678 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000097035155 472418883 /nfs/dbraw/zinc/41/88/83/472418883.db2.gz KDXAVLPGVJZXPN-CQSZACIVSA-N 1 0 343.383 2.678 10 5 EFBERO Cc1sc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032448650 472437280 /nfs/dbraw/zinc/43/72/80/472437280.db2.gz NKKURZWGFMGYSH-CYBMUJFWSA-N 1 0 333.413 2.997 10 5 EFBERO Cc1sc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032448651 472437575 /nfs/dbraw/zinc/43/75/75/472437575.db2.gz NKKURZWGFMGYSH-ZDUSSCGKSA-N 1 0 333.413 2.997 10 5 EFBERO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513422 472453306 /nfs/dbraw/zinc/45/33/06/472453306.db2.gz JFNCTUZXSPBRRR-KDOFPFPSSA-N 1 0 339.395 2.874 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000070013306 472484488 /nfs/dbraw/zinc/48/44/88/472484488.db2.gz HAJQNSKVYZWCGW-UHFFFAOYSA-N 1 0 345.374 2.654 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000070039836 472490362 /nfs/dbraw/zinc/49/03/62/472490362.db2.gz YUSAPPMEURHKIQ-OAHLLOKOSA-N 1 0 347.415 2.694 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000119886348 472596875 /nfs/dbraw/zinc/59/68/75/472596875.db2.gz RGJGXCQLSVHNLC-UONOGXRCSA-N 1 0 332.404 2.912 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000058876941 472607663 /nfs/dbraw/zinc/60/76/63/472607663.db2.gz PRKPSSBUXRHWNO-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538529 472631863 /nfs/dbraw/zinc/63/18/63/472631863.db2.gz LHOXKWSZZUSKSR-CYBMUJFWSA-N 1 0 340.387 2.636 10 5 EFBERO CC[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560750 472637040 /nfs/dbraw/zinc/63/70/40/472637040.db2.gz OLBJUXKIYDMSJI-INIZCTEOSA-N 1 0 334.420 2.687 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000130977581 472641002 /nfs/dbraw/zinc/64/10/02/472641002.db2.gz SFUAAWYRSNURDU-JTQLQIEISA-N 1 0 339.193 2.905 10 5 EFBERO C[C@@H]1C[N@@H+](Cc2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)C[C@H](C)O1 ZINC000077983147 472647288 /nfs/dbraw/zinc/64/72/88/472647288.db2.gz CYCZCNFLLULBAW-BETUJISGSA-N 1 0 345.403 2.681 10 5 EFBERO CN(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000105791869 472775231 /nfs/dbraw/zinc/77/52/31/472775231.db2.gz HJBKZLBXGZLTMX-UHFFFAOYSA-N 1 0 347.394 2.531 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120977407 472776874 /nfs/dbraw/zinc/77/68/74/472776874.db2.gz SWRSRRSHBUJKEI-HNNXBMFYSA-N 1 0 346.431 2.753 10 5 EFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000105884896 472797005 /nfs/dbraw/zinc/79/70/05/472797005.db2.gz AEFULJGIFGQZAF-HNNXBMFYSA-N 1 0 329.404 2.715 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000105887082 472797468 /nfs/dbraw/zinc/79/74/68/472797468.db2.gz NUEFZRAQVRTSMD-UHFFFAOYSA-N 1 0 330.388 2.582 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000063693533 472801152 /nfs/dbraw/zinc/80/11/52/472801152.db2.gz JSZFABAZBWMBJE-LBPRGKRZSA-N 1 0 325.434 2.815 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000063781915 472813737 /nfs/dbraw/zinc/81/37/37/472813737.db2.gz NSZJVEKYJUJUTN-LLVKDONJSA-N 1 0 325.434 2.817 10 5 EFBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000065297037 472923445 /nfs/dbraw/zinc/92/34/45/472923445.db2.gz JBAGWCBCGWLYOI-QGZVFWFLSA-N 1 0 349.431 2.697 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000107316786 472941828 /nfs/dbraw/zinc/94/18/28/472941828.db2.gz MZQCCVFWFIFHNF-HUUCEWRRSA-N 1 0 333.432 2.841 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012930 472961036 /nfs/dbraw/zinc/96/10/36/472961036.db2.gz BITFXYOAUFUVQO-HIFRSBDPSA-N 1 0 336.436 2.931 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867581 473021099 /nfs/dbraw/zinc/02/10/99/473021099.db2.gz NUGHSCDBFLZFDZ-AWEZNQCLSA-N 1 0 344.415 2.540 10 5 EFBERO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093011400 473025873 /nfs/dbraw/zinc/02/58/73/473025873.db2.gz SUPJXMXZYDKUCM-QGZVFWFLSA-N 1 0 333.432 2.590 10 5 EFBERO Cc1c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751172 473117231 /nfs/dbraw/zinc/11/72/31/473117231.db2.gz ZYHVBMVMQJVVQI-SFHVURJKSA-N 1 0 346.475 2.505 10 5 EFBERO O=[N+]([O-])c1cnccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000066808489 473155619 /nfs/dbraw/zinc/15/56/19/473155619.db2.gz UQYYLRPNBPDFMY-UHFFFAOYSA-N 1 0 341.415 2.614 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890763 473182945 /nfs/dbraw/zinc/18/29/45/473182945.db2.gz SCIMCURMUISLJS-BLLLJJGKSA-N 1 0 344.367 2.750 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185335253 473397898 /nfs/dbraw/zinc/39/78/98/473397898.db2.gz WHWQZIFLRFZNLV-OAHLLOKOSA-N 1 0 337.420 2.571 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177706524 473421122 /nfs/dbraw/zinc/42/11/22/473421122.db2.gz HDKDAJQEZMVCJQ-INIZCTEOSA-N 1 0 348.447 2.648 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712877 473422621 /nfs/dbraw/zinc/42/26/21/473422621.db2.gz GXSPCJAXVARIGH-INIZCTEOSA-N 1 0 348.447 2.648 10 5 EFBERO CCC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300309 473440514 /nfs/dbraw/zinc/44/05/14/473440514.db2.gz YPHNVVDQEQZIOB-ZWKOTPCHSA-N 1 0 335.448 2.872 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000185544447 473453507 /nfs/dbraw/zinc/45/35/07/473453507.db2.gz HHIXJMBJJARPKS-LZWOXQAQSA-N 1 0 333.432 2.715 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000126562742 473528110 /nfs/dbraw/zinc/52/81/10/473528110.db2.gz KVQHICAIYHALSV-HZPDHXFCSA-N 1 0 331.416 2.531 10 5 EFBERO COC[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170603115 473561972 /nfs/dbraw/zinc/56/19/72/473561972.db2.gz NFUZWLBWNBYSKM-AWEZNQCLSA-N 1 0 344.415 2.548 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1CC ZINC000153720290 473638597 /nfs/dbraw/zinc/63/85/97/473638597.db2.gz OLWIKDIUTVNCAV-CYBMUJFWSA-N 1 0 342.827 2.580 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179146402 473639262 /nfs/dbraw/zinc/63/92/62/473639262.db2.gz LEYJEEPLRFEGMT-MRXNPFEDSA-N 1 0 334.420 2.514 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170970058 473657670 /nfs/dbraw/zinc/65/76/70/473657670.db2.gz XKRWYFQCOMKVQB-NSHDSACASA-N 1 0 333.413 2.881 10 5 EFBERO Cn1cc(C[N@H+](C)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127982605 473669775 /nfs/dbraw/zinc/66/97/75/473669775.db2.gz SGTPINWMNKJXDM-INIZCTEOSA-N 1 0 330.388 2.606 10 5 EFBERO CSc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000192471644 473683468 /nfs/dbraw/zinc/68/34/68/473683468.db2.gz PCHBQALYBJZECB-LBPRGKRZSA-N 1 0 337.445 2.921 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000172866372 473695114 /nfs/dbraw/zinc/69/51/14/473695114.db2.gz LMZZURHKYVZTQV-NEPJUHHUSA-N 1 0 349.412 2.654 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810236 473729991 /nfs/dbraw/zinc/72/99/91/473729991.db2.gz YBOIYMWIXVPBHL-UKRRQHHQSA-N 1 0 327.388 2.704 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000192869979 473741189 /nfs/dbraw/zinc/74/11/89/473741189.db2.gz BWDDKSJRAKEEKL-JTQLQIEISA-N 1 0 335.385 2.954 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180125943 473805041 /nfs/dbraw/zinc/80/50/41/473805041.db2.gz NLFXWDOJZHOEAC-WBVHZDCISA-N 1 0 343.358 2.909 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000246260708 473808644 /nfs/dbraw/zinc/80/86/44/473808644.db2.gz LCKQWLIFSAZZIF-CVEARBPZSA-N 1 0 347.415 2.520 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180169385 473816649 /nfs/dbraw/zinc/81/66/49/473816649.db2.gz GMGGGULPMSXVNC-MJGOQNOKSA-N 1 0 339.395 2.699 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340327 473833240 /nfs/dbraw/zinc/83/32/40/473833240.db2.gz USJKNQCICVDYKR-SJLPKXTDSA-N 1 0 333.432 2.579 10 5 EFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246351117 473837486 /nfs/dbraw/zinc/83/74/86/473837486.db2.gz WBLDEQAKNZKCRJ-DLBZAZTESA-N 1 0 344.415 2.816 10 5 EFBERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363756 473840555 /nfs/dbraw/zinc/84/05/55/473840555.db2.gz XQQGMZHNAXQTKC-DLBZAZTESA-N 1 0 344.415 2.724 10 5 EFBERO CC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187281005 473850837 /nfs/dbraw/zinc/85/08/37/473850837.db2.gz XJOCPLTZLNMBBE-MLGOLLRUSA-N 1 0 340.445 2.849 10 5 EFBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263939870 473912234 /nfs/dbraw/zinc/91/22/34/473912234.db2.gz PPAGCAVUJOUYBW-NSHDSACASA-N 1 0 326.784 2.806 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000246835006 473977355 /nfs/dbraw/zinc/97/73/55/473977355.db2.gz AZWDLXKMQPSZLK-WNEOQSQQSA-N 1 0 329.400 2.693 10 5 EFBERO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)cc1 ZINC000195066850 474000154 /nfs/dbraw/zinc/00/01/54/474000154.db2.gz ZLDWUMCTEYPACZ-QGZVFWFLSA-N 1 0 342.399 2.639 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000195075300 474001612 /nfs/dbraw/zinc/00/16/12/474001612.db2.gz SVHKMBHTTACZFN-OAHLLOKOSA-N 1 0 346.387 2.704 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000195108496 474007223 /nfs/dbraw/zinc/00/72/23/474007223.db2.gz RNBUYCDACTUSQD-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000246981054 474025172 /nfs/dbraw/zinc/02/51/72/474025172.db2.gz GIDBOTILOIMKEC-IAQYHMDHSA-N 1 0 332.404 2.620 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181560050 474048027 /nfs/dbraw/zinc/04/80/27/474048027.db2.gz QAWAJDWTWVSSQW-MRXNPFEDSA-N 1 0 331.416 2.940 10 5 EFBERO Cc1sc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174531068 474058189 /nfs/dbraw/zinc/05/81/89/474058189.db2.gz HMCRCVCSRNVUSO-ZDUSSCGKSA-N 1 0 337.445 2.913 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247106062 474065614 /nfs/dbraw/zinc/06/56/14/474065614.db2.gz QUHVYDULXAFACE-UKRRQHHQSA-N 1 0 334.420 2.748 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247206755 474087309 /nfs/dbraw/zinc/08/73/09/474087309.db2.gz LUEOEPHBISKJQC-JQWIXIFHSA-N 1 0 338.795 2.949 10 5 EFBERO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275164506 474091190 /nfs/dbraw/zinc/09/11/90/474091190.db2.gz JRTBAZHBWIRIMP-IUCAKERBSA-N 1 0 337.767 2.649 10 5 EFBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000188476921 474105353 /nfs/dbraw/zinc/10/53/53/474105353.db2.gz DXGKHGFNFKPMAR-HNNXBMFYSA-N 1 0 328.796 2.779 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000247289055 474110183 /nfs/dbraw/zinc/11/01/83/474110183.db2.gz KSSNUYPTNQRDDY-BLLLJJGKSA-N 1 0 346.431 2.628 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282604065 474127479 /nfs/dbraw/zinc/12/74/79/474127479.db2.gz DDLQIIXUWTYILI-DOTOQJQBSA-N 1 0 334.416 2.561 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)cc1C(F)(F)F ZINC000175013458 474131229 /nfs/dbraw/zinc/13/12/29/474131229.db2.gz VAGZRMLQWFLTMR-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(=O)N(CC)CC ZINC000175133301 474147019 /nfs/dbraw/zinc/14/70/19/474147019.db2.gz AYRYAPUHKXTQJI-MRXNPFEDSA-N 1 0 349.431 2.826 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247440050 474147494 /nfs/dbraw/zinc/14/74/94/474147494.db2.gz RXUXPRRYEHLRSW-HUUCEWRRSA-N 1 0 349.431 2.517 10 5 EFBERO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000222140562 474164487 /nfs/dbraw/zinc/16/44/87/474164487.db2.gz HMZRGKHIUYOPBT-XXAQJILISA-N 1 0 340.445 2.773 10 5 EFBERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000222140502 474164604 /nfs/dbraw/zinc/16/46/04/474164604.db2.gz HMZRGKHIUYOPBT-CSTKLKAISA-N 1 0 340.445 2.773 10 5 EFBERO COc1cccc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390826 474168480 /nfs/dbraw/zinc/16/84/80/474168480.db2.gz CJKXADUMXSUDBO-UKRRQHHQSA-N 1 0 337.445 2.619 10 5 EFBERO CC[C@H](NC(=O)NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275398096 474171987 /nfs/dbraw/zinc/17/19/87/474171987.db2.gz DLSMTMHRFZCKLQ-HNNXBMFYSA-N 1 0 334.420 2.829 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175333171 474191537 /nfs/dbraw/zinc/19/15/37/474191537.db2.gz DNLBREBFNOURBA-OAHLLOKOSA-N 1 0 345.403 2.561 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175436670 474219911 /nfs/dbraw/zinc/21/99/11/474219911.db2.gz GTZBFYKVRRLKSY-CHWSQXEVSA-N 1 0 337.807 2.947 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000182748898 474246836 /nfs/dbraw/zinc/24/68/36/474246836.db2.gz KFWRKHBSKSLSJK-OAHLLOKOSA-N 1 0 341.415 2.967 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248033118 474247912 /nfs/dbraw/zinc/24/79/12/474247912.db2.gz KOMWSVIVRMOUJY-DZGCQCFKSA-N 1 0 331.397 2.832 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000289429316 474267064 /nfs/dbraw/zinc/26/70/64/474267064.db2.gz RTANJHUCJATXRW-FHWLQOOXSA-N 1 0 341.411 2.663 10 5 EFBERO CC[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175649021 474274547 /nfs/dbraw/zinc/27/45/47/474274547.db2.gz PKTUPTQWRJSKRD-MRXNPFEDSA-N 1 0 334.420 2.831 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000275745325 474304173 /nfs/dbraw/zinc/30/41/73/474304173.db2.gz COQNXZXVYVYWCS-DGCLKSJQSA-N 1 0 339.823 2.969 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175773306 474304251 /nfs/dbraw/zinc/30/42/51/474304251.db2.gz DXRNMVOISZPMRZ-UONOGXRCSA-N 1 0 336.436 2.994 10 5 EFBERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216875 474351995 /nfs/dbraw/zinc/35/19/95/474351995.db2.gz GHTAURKRZXZRRI-SKDRFNHKSA-N 1 0 346.330 2.862 10 5 EFBERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651801 474362624 /nfs/dbraw/zinc/36/26/24/474362624.db2.gz YJIYKRYMMTUYCH-HQJQHLMTSA-N 1 0 332.141 2.697 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289659415 474365362 /nfs/dbraw/zinc/36/53/62/474365362.db2.gz UGHFKTJXCMFBNU-QGZVFWFLSA-N 1 0 337.395 2.766 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000248598165 474371633 /nfs/dbraw/zinc/37/16/33/474371633.db2.gz INBGFUDPARHABL-TXPKVOOTSA-N 1 0 347.459 2.977 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000189383024 474378810 /nfs/dbraw/zinc/37/88/10/474378810.db2.gz YOHRCDWNVCQTJE-LBPRGKRZSA-N 1 0 348.321 2.751 10 5 EFBERO Cc1sc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608900340 480103295 /nfs/dbraw/zinc/10/32/95/480103295.db2.gz KGEFDAJGOGSSJS-UHFFFAOYSA-N 1 0 329.341 2.798 10 5 EFBERO COC(=O)c1cc(NC[C@@H](C)C[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000189454046 474403117 /nfs/dbraw/zinc/40/31/17/474403117.db2.gz DTBNKMBCZDKXLX-GFCCVEGCSA-N 1 0 335.404 2.834 10 5 EFBERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678272 474411179 /nfs/dbraw/zinc/41/11/79/474411179.db2.gz LEUJRELDBMIAHW-CYBMUJFWSA-N 1 0 340.387 2.636 10 5 EFBERO COc1ccc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176223228 474413685 /nfs/dbraw/zinc/41/36/85/474413685.db2.gz RTGMWKBARUPTHO-UHFFFAOYSA-N 1 0 344.415 2.755 10 5 EFBERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248830728 474449765 /nfs/dbraw/zinc/44/97/65/474449765.db2.gz LMWQWJOQDXHTIB-DRXBFXEBSA-N 1 0 331.372 2.984 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189710856 474468623 /nfs/dbraw/zinc/46/86/23/474468623.db2.gz PLUTTWVITDCIRE-HNNXBMFYSA-N 1 0 349.431 2.559 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000248998282 474502270 /nfs/dbraw/zinc/50/22/70/474502270.db2.gz NGXHJTBKJFFFOA-ZFWWWQNUSA-N 1 0 332.404 2.994 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000266866086 474508018 /nfs/dbraw/zinc/50/80/18/474508018.db2.gz MEGSUHMVKZEMDM-GXTWGEPZSA-N 1 0 334.347 2.824 10 5 EFBERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000271390924 474523837 /nfs/dbraw/zinc/52/38/37/474523837.db2.gz TYAXQLCBMLLEMY-LBPRGKRZSA-N 1 0 346.412 2.566 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249589522 474597025 /nfs/dbraw/zinc/59/70/25/474597025.db2.gz UZYUJSDCKFANQA-FZKQIMNGSA-N 1 0 349.431 2.715 10 5 EFBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@H](C)C1 ZINC000249723438 474606187 /nfs/dbraw/zinc/60/61/87/474606187.db2.gz DTALBEBTDQRBBH-QWHCGFSZSA-N 1 0 344.415 2.926 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609130190 480115457 /nfs/dbraw/zinc/11/54/57/480115457.db2.gz KNKOVCKDOXIPFI-HNNXBMFYSA-N 1 0 348.447 2.662 10 5 EFBERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000249918575 474625276 /nfs/dbraw/zinc/62/52/76/474625276.db2.gz YCISQWRTCRLQON-STQMWFEESA-N 1 0 344.415 2.926 10 5 EFBERO C[NH+](C)CCN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291625320 474634288 /nfs/dbraw/zinc/63/42/88/474634288.db2.gz KWSOPJJTNONYCE-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000251940397 474652799 /nfs/dbraw/zinc/65/27/99/474652799.db2.gz UPZSDNMONMSYFL-LRDDRELGSA-N 1 0 335.404 2.589 10 5 EFBERO CS[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000291787271 474686136 /nfs/dbraw/zinc/68/61/36/474686136.db2.gz CWYGASVNYKTNPF-LSDHHAIUSA-N 1 0 332.429 2.625 10 5 EFBERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252511602 474688551 /nfs/dbraw/zinc/68/85/51/474688551.db2.gz IONWCFWAQFLRBK-IUODEOHRSA-N 1 0 334.420 2.961 10 5 EFBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000252705410 474709876 /nfs/dbraw/zinc/70/98/76/474709876.db2.gz QEYYBVKEKWAEHR-IINYFYTJSA-N 1 0 342.237 2.739 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000252704892 474710080 /nfs/dbraw/zinc/71/00/80/474710080.db2.gz OQVHNLULCROPLZ-LBPRGKRZSA-N 1 0 340.221 2.637 10 5 EFBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1[NH3+] ZINC000252841584 474714203 /nfs/dbraw/zinc/71/42/03/474714203.db2.gz CFIOBZVIQWTKFO-NXEZZACHSA-N 1 0 343.225 2.624 10 5 EFBERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000305286388 474728182 /nfs/dbraw/zinc/72/81/82/474728182.db2.gz DRKDIUXUMONSAS-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000267978730 474733632 /nfs/dbraw/zinc/73/36/32/474733632.db2.gz XHDASHZJRADCGZ-RYUDHWBXSA-N 1 0 342.827 2.945 10 5 EFBERO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344416359 474734532 /nfs/dbraw/zinc/73/45/32/474734532.db2.gz IQIQVYJOYAUKIQ-UHFFFAOYSA-N 1 0 330.388 2.585 10 5 EFBERO CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291885746 474735167 /nfs/dbraw/zinc/73/51/67/474735167.db2.gz QMCHSHVZLAHRBD-GFCCVEGCSA-N 1 0 341.795 2.686 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344576611 474766230 /nfs/dbraw/zinc/76/62/30/474766230.db2.gz MZJZWPGUGKNXOO-ZDUSSCGKSA-N 1 0 332.404 2.782 10 5 EFBERO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000337326926 474899949 /nfs/dbraw/zinc/89/99/49/474899949.db2.gz WQEDIXILXUWEFP-UHFFFAOYSA-N 1 0 335.404 2.813 10 5 EFBERO Cc1nccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000273450317 474903215 /nfs/dbraw/zinc/90/32/15/474903215.db2.gz DGHSOWSRZALJBB-UHFFFAOYSA-N 1 0 333.779 2.673 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000285170730 474913937 /nfs/dbraw/zinc/91/39/37/474913937.db2.gz UWXZGLUNFBBXDP-ZIAGYGMSSA-N 1 0 345.321 2.523 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232210 474916544 /nfs/dbraw/zinc/91/65/44/474916544.db2.gz VYKKGTHJTMYNFU-GOSISDBHSA-N 1 0 333.432 2.910 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056096 474923176 /nfs/dbraw/zinc/92/31/76/474923176.db2.gz IHCRABVGFXFBIT-HUUCEWRRSA-N 1 0 348.447 2.776 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322305461 474938003 /nfs/dbraw/zinc/93/80/03/474938003.db2.gz AMJMNORBDPEHJW-XHDPSFHLSA-N 1 0 337.807 2.852 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341069237 474939083 /nfs/dbraw/zinc/93/90/83/474939083.db2.gz OKAVDUXSGSPUAS-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO CNC(=O)c1ccc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341126229 475001904 /nfs/dbraw/zinc/00/19/04/475001904.db2.gz NNKSBCGJYMOQMU-STQMWFEESA-N 1 0 334.420 2.629 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268479377 475005243 /nfs/dbraw/zinc/00/52/43/475005243.db2.gz KLKNEGHTWDKTLW-SNVBAGLBSA-N 1 0 329.198 2.647 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000341127610 475005290 /nfs/dbraw/zinc/00/52/90/475005290.db2.gz TXDNGBKYFTXTJF-LBPRGKRZSA-N 1 0 338.408 2.617 10 5 EFBERO Cc1ccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000328460736 475030577 /nfs/dbraw/zinc/03/05/77/475030577.db2.gz UJWWNXLUJJWWST-ZDUSSCGKSA-N 1 0 325.368 2.681 10 5 EFBERO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292474628 475045341 /nfs/dbraw/zinc/04/53/41/475045341.db2.gz AIFSUBZWCOLTDM-LLVKDONJSA-N 1 0 327.812 2.890 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534949 475104510 /nfs/dbraw/zinc/10/45/10/475104510.db2.gz XGJHZLLFNXWGQM-WFASDCNBSA-N 1 0 326.418 2.555 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000341588534 475169823 /nfs/dbraw/zinc/16/98/23/475169823.db2.gz KZYFXOPXBKPZRG-LLVKDONJSA-N 1 0 343.339 2.613 10 5 EFBERO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000287536670 475187489 /nfs/dbraw/zinc/18/74/89/475187489.db2.gz VSXRFDQQRBSQNF-CQSZACIVSA-N 1 0 346.391 2.669 10 5 EFBERO O=C(C[NH2+][C@H](c1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000347334968 475240944 /nfs/dbraw/zinc/24/09/44/475240944.db2.gz DTJNCRJWODMSSZ-KRWDZBQOSA-N 1 0 326.356 2.669 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000354556457 475251390 /nfs/dbraw/zinc/25/13/90/475251390.db2.gz VKOUNNFECWZQOY-UHFFFAOYSA-N 1 0 348.447 2.635 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000347354073 475259112 /nfs/dbraw/zinc/25/91/12/475259112.db2.gz GECHJGJEGCRUBI-UIRWJGRMSA-N 1 0 345.443 2.795 10 5 EFBERO CNc1c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361221458 475280168 /nfs/dbraw/zinc/28/01/68/475280168.db2.gz QZMLGLODLYTZOA-AWEZNQCLSA-N 1 0 346.431 2.727 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000361254126 475305748 /nfs/dbraw/zinc/30/57/48/475305748.db2.gz WEEBYIJYIPGDTG-AWEZNQCLSA-N 1 0 343.358 2.937 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339596442 475330155 /nfs/dbraw/zinc/33/01/55/475330155.db2.gz UEGWQNYQIJFWNQ-UAGQMJEPSA-N 1 0 330.388 2.608 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@H]1n1cccn1 ZINC000339598964 475336201 /nfs/dbraw/zinc/33/62/01/475336201.db2.gz RLYYKJLKIAEEHS-GVDBMIGSSA-N 1 0 330.388 2.608 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000339600732 475338022 /nfs/dbraw/zinc/33/80/22/475338022.db2.gz YZKVPPDEPJSXHZ-QPZHOTKFSA-N 1 0 342.399 2.813 10 5 EFBERO CNC(=O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352556203 475409793 /nfs/dbraw/zinc/40/97/93/475409793.db2.gz WQBXBNICVBIKLQ-GOSISDBHSA-N 1 0 327.384 2.800 10 5 EFBERO C[NH+](C)Cc1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000345780414 475445049 /nfs/dbraw/zinc/44/50/49/475445049.db2.gz POTYSYRFUHVDAO-UHFFFAOYSA-N 1 0 342.399 2.717 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348210069 475490622 /nfs/dbraw/zinc/49/06/22/475490622.db2.gz BLFSXDRQMQZPCQ-PBHICJAKSA-N 1 0 329.400 2.677 10 5 EFBERO NC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000354930833 475530884 /nfs/dbraw/zinc/53/08/84/475530884.db2.gz ZGTUNDNKUZWOCB-UHFFFAOYSA-N 1 0 329.356 2.743 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCCC[C@@H]3CCO)o2)cc1 ZINC000342063840 475542098 /nfs/dbraw/zinc/54/20/98/475542098.db2.gz PAWHQGJTKQRIBR-CQSZACIVSA-N 1 0 346.387 2.772 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000358305156 475576471 /nfs/dbraw/zinc/57/64/71/475576471.db2.gz YJULKHUMXSPBQZ-ZDUSSCGKSA-N 1 0 340.445 2.769 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000297304569 475700149 /nfs/dbraw/zinc/70/01/49/475700149.db2.gz YUVLGMVSNJUZMU-ZDUSSCGKSA-N 1 0 329.404 2.783 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207486 475744088 /nfs/dbraw/zinc/74/40/88/475744088.db2.gz OCUFMGPFEZZYKO-ZIAGYGMSSA-N 1 0 348.399 2.710 10 5 EFBERO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000338290321 475752657 /nfs/dbraw/zinc/75/26/57/475752657.db2.gz RIYLANJZQBGMMF-GFCCVEGCSA-N 1 0 339.351 2.542 10 5 EFBERO COc1cccc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000361803789 475767876 /nfs/dbraw/zinc/76/78/76/475767876.db2.gz LRDUUPWNIFDQMV-UHFFFAOYSA-N 1 0 328.372 2.589 10 5 EFBERO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355281496 475797254 /nfs/dbraw/zinc/79/72/54/475797254.db2.gz WOSSPCDGIVFVHI-SFHVURJKSA-N 1 0 339.395 2.941 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000340375657 475991281 /nfs/dbraw/zinc/99/12/81/475991281.db2.gz SZFKNBXNEYRSBI-IAGOWNOFSA-N 1 0 343.358 2.909 10 5 EFBERO C[C@]12CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298221697 476025018 /nfs/dbraw/zinc/02/50/18/476025018.db2.gz GDGPAVDGLYIWKR-HIFRSBDPSA-N 1 0 339.342 2.901 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340510258 476075573 /nfs/dbraw/zinc/07/55/73/476075573.db2.gz VHAGFTBLCKJCOW-NFAWXSAZSA-N 1 0 346.431 2.776 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340530497 476088430 /nfs/dbraw/zinc/08/84/30/476088430.db2.gz DHFSZSIUPDQLFC-ZFVVBOAOSA-N 1 0 330.388 2.861 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000340538931 476094165 /nfs/dbraw/zinc/09/41/65/476094165.db2.gz HDQXMGNJTWMGOV-ZFVVBOAOSA-N 1 0 330.388 2.861 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358996391 476099588 /nfs/dbraw/zinc/09/95/88/476099588.db2.gz WXXRGYFZSFIODB-JTQLQIEISA-N 1 0 345.346 2.656 10 5 EFBERO COCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000353639770 476147558 /nfs/dbraw/zinc/14/75/58/476147558.db2.gz FKQNWSVAIWJIPH-DJIMGWMZSA-N 1 0 336.432 2.947 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000359099893 476188227 /nfs/dbraw/zinc/18/82/27/476188227.db2.gz OXXUMOYAQMEJID-HUUCEWRRSA-N 1 0 336.436 2.908 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000347229013 476188437 /nfs/dbraw/zinc/18/84/37/476188437.db2.gz ZYRXIICUSNBBRF-MRXNPFEDSA-N 1 0 343.383 2.790 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357105107 476235108 /nfs/dbraw/zinc/23/51/08/476235108.db2.gz XDXVDOAQHSMZLU-KDOFPFPSSA-N 1 0 347.415 2.814 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c2c(c1)COCO2 ZINC000353743298 476235613 /nfs/dbraw/zinc/23/56/13/476235613.db2.gz CFNKSBQUWUTBNH-GOSISDBHSA-N 1 0 348.399 2.854 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)n2)c1 ZINC000362453262 476262444 /nfs/dbraw/zinc/26/24/44/476262444.db2.gz WWVNWVYNXRVRIW-UKRRQHHQSA-N 1 0 344.371 2.646 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000353775967 476265205 /nfs/dbraw/zinc/26/52/05/476265205.db2.gz JMQMQTXBVSWBSE-LBPRGKRZSA-N 1 0 336.388 2.815 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000353805223 476280737 /nfs/dbraw/zinc/28/07/37/476280737.db2.gz OBVHDFOSCVXLQF-ZALBZXLWSA-N 1 0 348.399 2.815 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000353805222 476280951 /nfs/dbraw/zinc/28/09/51/476280951.db2.gz OBVHDFOSCVXLQF-PESDSKBTSA-N 1 0 348.399 2.815 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccs1 ZINC000357219236 476294357 /nfs/dbraw/zinc/29/43/57/476294357.db2.gz JOZVDXKZOPMZTQ-XHDPSFHLSA-N 1 0 348.428 2.797 10 5 EFBERO O=[N+]([O-])c1ccc(OCc2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000351049777 476327496 /nfs/dbraw/zinc/32/74/96/476327496.db2.gz PJNIJWSCHSEBEA-UHFFFAOYSA-N 1 0 337.295 2.872 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[C@@H]3CCCO3)no2)cc1-n1ccnc1 ZINC000351056738 476328010 /nfs/dbraw/zinc/32/80/10/476328010.db2.gz XOVQDOGXTGRMJR-LBPRGKRZSA-N 1 0 341.327 2.552 10 5 EFBERO CCC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353984435 476347276 /nfs/dbraw/zinc/34/72/76/476347276.db2.gz YTWGOLWUPJSJTB-IUODEOHRSA-N 1 0 340.445 2.991 10 5 EFBERO Cc1c([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000353994969 476351389 /nfs/dbraw/zinc/35/13/89/476351389.db2.gz FETIWEWXXLMTTJ-RYUDHWBXSA-N 1 0 326.418 2.520 10 5 EFBERO Cc1c([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000353994967 476351418 /nfs/dbraw/zinc/35/14/18/476351418.db2.gz FETIWEWXXLMTTJ-NEPJUHHUSA-N 1 0 326.418 2.520 10 5 EFBERO CC[NH+](CC)CCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762533 476394855 /nfs/dbraw/zinc/39/48/55/476394855.db2.gz KDVDYZPRFWLBGS-UHFFFAOYSA-N 1 0 343.374 2.654 10 5 EFBERO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000362764092 476395220 /nfs/dbraw/zinc/39/52/20/476395220.db2.gz YYLHZLAZUYZJMA-GFCCVEGCSA-N 1 0 335.429 2.625 10 5 EFBERO CC[NH+](CC)CCO[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097772 476423226 /nfs/dbraw/zinc/42/32/26/476423226.db2.gz SMEILDZANOIGBJ-AWEZNQCLSA-N 1 0 327.450 2.589 10 5 EFBERO CSc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000362840346 476435112 /nfs/dbraw/zinc/43/51/12/476435112.db2.gz KJVWIUCVDPNFSZ-GFCCVEGCSA-N 1 0 337.445 2.921 10 5 EFBERO C[NH+]1CCC(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000362845242 476437770 /nfs/dbraw/zinc/43/77/70/476437770.db2.gz YFDZHIQTKQKFSH-QGZVFWFLSA-N 1 0 349.456 2.901 10 5 EFBERO C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361003115 476536302 /nfs/dbraw/zinc/53/63/02/476536302.db2.gz RQKHRWZWBXQOJV-HOCLYGCPSA-N 1 0 326.400 2.877 10 5 EFBERO C[N@H+](Cc1ccccc1)[C@H](CNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000361006171 476538312 /nfs/dbraw/zinc/53/83/12/476538312.db2.gz AWTQNEWBFNFMCH-QGZVFWFLSA-N 1 0 326.400 2.734 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357700301 476547018 /nfs/dbraw/zinc/54/70/18/476547018.db2.gz WNJJUKPAKBFWLA-INIZCTEOSA-N 1 0 333.432 2.860 10 5 EFBERO COc1cc(C[N@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000361044146 476562063 /nfs/dbraw/zinc/56/20/63/476562063.db2.gz HGGNJJMBMUIMNZ-UHFFFAOYSA-N 1 0 330.384 2.906 10 5 EFBERO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000374964771 476613773 /nfs/dbraw/zinc/61/37/73/476613773.db2.gz RGVJXFMPPAZKPH-FUDCBSFHSA-N 1 0 349.406 2.969 10 5 EFBERO COc1ccc(OC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000377947332 476651400 /nfs/dbraw/zinc/65/14/00/476651400.db2.gz JQCQLEUWQHJHKI-MRXNPFEDSA-N 1 0 340.351 2.721 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000354424304 476654376 /nfs/dbraw/zinc/65/43/76/476654376.db2.gz IYDKRBNVRNMNTP-ZYHUDNBSSA-N 1 0 325.434 2.910 10 5 EFBERO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000354431157 476657199 /nfs/dbraw/zinc/65/71/99/476657199.db2.gz LVCHQGZSYILSOT-NSHDSACASA-N 1 0 343.811 2.932 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354438036 476662097 /nfs/dbraw/zinc/66/20/97/476662097.db2.gz UKLXGFXENBHLNR-ZFWWWQNUSA-N 1 0 349.431 2.938 10 5 EFBERO CO[C@@H](C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000354450268 476669259 /nfs/dbraw/zinc/66/92/59/476669259.db2.gz KBJMGPQPFLGKAM-LBPRGKRZSA-N 1 0 334.376 2.890 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354501895 476690395 /nfs/dbraw/zinc/69/03/95/476690395.db2.gz PHHLKWCECAEJNU-HNNXBMFYSA-N 1 0 331.416 2.829 10 5 EFBERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375160291 476695802 /nfs/dbraw/zinc/69/58/02/476695802.db2.gz OIUBIVWLIWGKRJ-MRXNPFEDSA-N 1 0 331.372 2.991 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365821345 476715844 /nfs/dbraw/zinc/71/58/44/476715844.db2.gz QCGLXSZDFKDILL-ZDUSSCGKSA-N 1 0 328.372 2.989 10 5 EFBERO CC(C)(C)CC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451907124 476717617 /nfs/dbraw/zinc/71/76/17/476717617.db2.gz WWACVTLZYQFVAR-UHFFFAOYSA-N 1 0 337.468 2.624 10 5 EFBERO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452076942 476808205 /nfs/dbraw/zinc/80/82/05/476808205.db2.gz CBOTWSCVWJVGBB-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO COC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452079470 476810258 /nfs/dbraw/zinc/81/02/58/476810258.db2.gz HYRNGNSWHCVBHX-AWEZNQCLSA-N 1 0 335.404 2.590 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000452083161 476811831 /nfs/dbraw/zinc/81/18/31/476811831.db2.gz LQBNOLCJAWCHIG-ZDUSSCGKSA-N 1 0 346.387 2.893 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446070543 476821084 /nfs/dbraw/zinc/82/10/84/476821084.db2.gz HKKUIKXMLXEOHZ-FPMFFAJLSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452096281 476821499 /nfs/dbraw/zinc/82/14/99/476821499.db2.gz YBKOCKIWUYBLFQ-ZIAGYGMSSA-N 1 0 335.404 2.670 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446075453 476822243 /nfs/dbraw/zinc/82/22/43/476822243.db2.gz YQQXGEDGTIAKQH-BFHYXJOUSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000452098813 476823148 /nfs/dbraw/zinc/82/31/48/476823148.db2.gz GAESCQAGWFRVTC-GFCCVEGCSA-N 1 0 326.368 2.991 10 5 EFBERO CC(C)(C[NH+]1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457059001 476852710 /nfs/dbraw/zinc/85/27/10/476852710.db2.gz WCTOTJURSJSQJK-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2ccccn2)n1 ZINC000447578926 477016023 /nfs/dbraw/zinc/01/60/23/477016023.db2.gz ICDJLMRQHSAPRH-CVEARBPZSA-N 1 0 329.404 2.892 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](Cc4cccs4)CC3)nc2c1 ZINC000447684767 477036691 /nfs/dbraw/zinc/03/66/91/477036691.db2.gz DOUBGEBTGZTIBT-UHFFFAOYSA-N 1 0 343.412 2.855 10 5 EFBERO CC1(C)C[C@H](N[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489718 477046854 /nfs/dbraw/zinc/04/68/54/477046854.db2.gz WXWFJFCULHRDMH-KBPBESRZSA-N 1 0 325.359 2.904 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000375900182 477070961 /nfs/dbraw/zinc/07/09/61/477070961.db2.gz GNOWFGATXHFLRI-DZGCQCFKSA-N 1 0 347.415 2.692 10 5 EFBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000423651636 477101158 /nfs/dbraw/zinc/10/11/58/477101158.db2.gz VYDUYADFKYVPON-WFASDCNBSA-N 1 0 340.383 2.900 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000366627652 477103299 /nfs/dbraw/zinc/10/32/99/477103299.db2.gz FTIULVJRYFIDQV-ZIAGYGMSSA-N 1 0 349.456 2.921 10 5 EFBERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000376001987 477126992 /nfs/dbraw/zinc/12/69/92/477126992.db2.gz AIRDSQAWXHTWLK-ZBFHGGJFSA-N 1 0 331.416 2.866 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000411384996 477213090 /nfs/dbraw/zinc/21/30/90/477213090.db2.gz OJRHCBIDLPVJDB-UHFFFAOYSA-N 1 0 335.404 2.548 10 5 EFBERO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411462153 477243830 /nfs/dbraw/zinc/24/38/30/477243830.db2.gz XLAZPPQCDBKXOS-QGZVFWFLSA-N 1 0 343.383 2.901 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424043953 477271987 /nfs/dbraw/zinc/27/19/87/477271987.db2.gz ZWLAWNWXQZBLLW-DOTOQJQBSA-N 1 0 343.358 2.609 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448914198 477338342 /nfs/dbraw/zinc/33/83/42/477338342.db2.gz AXLSMZQRJPSSRI-NSHDSACASA-N 1 0 345.321 2.828 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424334829 477372783 /nfs/dbraw/zinc/37/27/83/477372783.db2.gz XCTIEJSDXFUUGV-CHWSQXEVSA-N 1 0 335.404 2.513 10 5 EFBERO COc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1[N+](=O)[O-] ZINC000411828998 477384545 /nfs/dbraw/zinc/38/45/45/477384545.db2.gz RYOIIIWLUAMPAG-UHFFFAOYSA-N 1 0 328.372 2.773 10 5 EFBERO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413193268 477563954 /nfs/dbraw/zinc/56/39/54/477563954.db2.gz HDHOPOZHWHZGCN-CQSZACIVSA-N 1 0 330.363 2.840 10 5 EFBERO CCn1ccnc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000459016830 477700355 /nfs/dbraw/zinc/70/03/55/477700355.db2.gz RLABMBRRMOYPEO-UHFFFAOYSA-N 1 0 331.376 2.546 10 5 EFBERO Cc1ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000367834600 477711204 /nfs/dbraw/zinc/71/12/04/477711204.db2.gz VYQWKFQAHCQRDF-HNNXBMFYSA-N 1 0 340.445 2.692 10 5 EFBERO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000427980780 477798739 /nfs/dbraw/zinc/79/87/39/477798739.db2.gz CPZSWYXYVSDIOH-INIZCTEOSA-N 1 0 343.362 2.747 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3ccco3)[NH+]3CCCC3)nc2c1 ZINC000427981154 477798824 /nfs/dbraw/zinc/79/88/24/477798824.db2.gz NPXZFQPUOLFEPW-HNNXBMFYSA-N 1 0 341.371 2.735 10 5 EFBERO CC(C)[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000438484629 477850253 /nfs/dbraw/zinc/85/02/53/477850253.db2.gz RPIZMFZSKIBGRR-ZDUSSCGKSA-N 1 0 333.388 2.871 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CCC(O)CC4)CC3)nc2c1 ZINC000451154537 477850517 /nfs/dbraw/zinc/85/05/17/477850517.db2.gz MFBLMFNKXDBNCG-UHFFFAOYSA-N 1 0 344.415 2.988 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438509103 477855850 /nfs/dbraw/zinc/85/58/50/477855850.db2.gz XRZWUKZUKVXYOT-ZDUSSCGKSA-N 1 0 335.404 2.910 10 5 EFBERO C[NH+](C)CC1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000460286922 477857928 /nfs/dbraw/zinc/85/79/28/477857928.db2.gz XFGLCBZALWIVLR-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456354389 477882023 /nfs/dbraw/zinc/88/20/23/477882023.db2.gz PDWHPWCSTVJZRF-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576592 477889434 /nfs/dbraw/zinc/88/94/34/477889434.db2.gz JMLAJXQKWKRZMY-QGZVFWFLSA-N 1 0 344.415 2.609 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000438932141 477906513 /nfs/dbraw/zinc/90/65/13/477906513.db2.gz BEUIDOWBEDELNP-OLZOCXBDSA-N 1 0 337.807 2.913 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439093743 477927948 /nfs/dbraw/zinc/92/79/48/477927948.db2.gz AISRYXDEYQGUOI-ZDUSSCGKSA-N 1 0 337.807 2.865 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451299927 477939649 /nfs/dbraw/zinc/93/96/49/477939649.db2.gz KVKIXXHQMCLRGM-BPLDGKMQSA-N 1 0 340.807 2.610 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000516955973 478021623 /nfs/dbraw/zinc/02/16/23/478021623.db2.gz WSUMACZOKUUFGE-MRXNPFEDSA-N 1 0 347.415 2.611 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c([N+](=O)[O-])cc1O ZINC000421352560 478047363 /nfs/dbraw/zinc/04/73/63/478047363.db2.gz OKYHWXHYTJNKEH-LBPRGKRZSA-N 1 0 338.429 2.932 10 5 EFBERO COc1ccc([C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000459722944 478057621 /nfs/dbraw/zinc/05/76/21/478057621.db2.gz AGRHFEFAAPPTJB-INIZCTEOSA-N 1 0 330.384 2.778 10 5 EFBERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000421371862 478059413 /nfs/dbraw/zinc/05/94/13/478059413.db2.gz DBBVDLGJCHMUDQ-CYBMUJFWSA-N 1 0 345.424 2.891 10 5 EFBERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421377730 478064459 /nfs/dbraw/zinc/06/44/59/478064459.db2.gz HZWPYLQWSQCVMT-LBPRGKRZSA-N 1 0 345.424 2.891 10 5 EFBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495062348 478114548 /nfs/dbraw/zinc/11/45/48/478114548.db2.gz FFVWSJSZNNYCKS-ZDUSSCGKSA-N 1 0 336.388 2.637 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488753603 478180599 /nfs/dbraw/zinc/18/05/99/478180599.db2.gz RQFMXFFOJAWTBL-CYBMUJFWSA-N 1 0 347.415 2.692 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000519759516 478257060 /nfs/dbraw/zinc/25/70/60/478257060.db2.gz KDWOGNXJUQRQNH-MRXNPFEDSA-N 1 0 334.416 2.895 10 5 EFBERO CC1([NH+]2CCOCC2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600201318 478278876 /nfs/dbraw/zinc/27/88/76/478278876.db2.gz HIAKMJNJNWVTSV-GQCTYLIASA-N 1 0 345.443 2.795 10 5 EFBERO CC1([NH+]2CCOCC2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000600201319 478279329 /nfs/dbraw/zinc/27/93/29/478279329.db2.gz HIAKMJNJNWVTSV-XQRVVYSFSA-N 1 0 345.443 2.795 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590663905 478280309 /nfs/dbraw/zinc/28/03/09/478280309.db2.gz YVWNBQSAHUZHBZ-CYBMUJFWSA-N 1 0 336.388 2.630 10 5 EFBERO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(C)CCCC1 ZINC000489874473 478282617 /nfs/dbraw/zinc/28/26/17/478282617.db2.gz LVIGIXHVSFFMJJ-UHFFFAOYSA-N 1 0 335.360 2.527 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000600214553 478290231 /nfs/dbraw/zinc/29/02/31/478290231.db2.gz ATEKJPDRFWZJFY-UHFFFAOYSA-N 1 0 348.399 2.913 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000537214397 478291974 /nfs/dbraw/zinc/29/19/74/478291974.db2.gz BKYRVWTYMLVUKG-UHFFFAOYSA-N 1 0 333.310 2.637 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600227358 478297509 /nfs/dbraw/zinc/29/75/09/478297509.db2.gz AUOADJMWVZUFAP-HNNXBMFYSA-N 1 0 335.379 2.871 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000538315018 478354478 /nfs/dbraw/zinc/35/44/78/478354478.db2.gz CDEKTRAINYBZCS-UHFFFAOYSA-N 1 0 333.310 2.637 10 5 EFBERO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472485 478382297 /nfs/dbraw/zinc/38/22/97/478382297.db2.gz ZNYSRDLASZDAAT-GUYCJALGSA-N 1 0 331.416 2.831 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600473126 478383677 /nfs/dbraw/zinc/38/36/77/478383677.db2.gz QZYWHYCOYNNXSN-ZDUSSCGKSA-N 1 0 342.399 2.823 10 5 EFBERO CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000590928050 478401587 /nfs/dbraw/zinc/40/15/87/478401587.db2.gz OZRKNBQAZPHNFC-GOEBONIOSA-N 1 0 334.420 2.782 10 5 EFBERO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511663 478419597 /nfs/dbraw/zinc/41/95/97/478419597.db2.gz GGBIMTYLWOMRCX-ZNROSVKFSA-N 1 0 333.432 2.695 10 5 EFBERO CO[C@](C)(CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000594513863 478421928 /nfs/dbraw/zinc/42/19/28/478421928.db2.gz UCJUIGYPFAJJLU-ROUUACIJSA-N 1 0 330.384 2.671 10 5 EFBERO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000594583221 478449560 /nfs/dbraw/zinc/44/95/60/478449560.db2.gz CEGOVYQXMGXYGR-CYBMUJFWSA-N 1 0 329.278 2.834 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594596551 478455102 /nfs/dbraw/zinc/45/51/02/478455102.db2.gz AOCVVFYDKBPKJJ-UKRRQHHQSA-N 1 0 333.388 2.810 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701328 478475175 /nfs/dbraw/zinc/47/51/75/478475175.db2.gz OOYRCOXCZHROKK-CYBMUJFWSA-N 1 0 336.367 2.872 10 5 EFBERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597717106 478476870 /nfs/dbraw/zinc/47/68/70/478476870.db2.gz ZAERLVJEJBVLMW-GOSISDBHSA-N 1 0 342.399 2.634 10 5 EFBERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597717107 478478150 /nfs/dbraw/zinc/47/81/50/478478150.db2.gz ZAERLVJEJBVLMW-SFHVURJKSA-N 1 0 342.399 2.634 10 5 EFBERO [NH3+]C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000600737657 478498820 /nfs/dbraw/zinc/49/88/20/478498820.db2.gz HOPQHAGACBOBHR-ZANVPECISA-N 1 0 335.301 2.836 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776737 478514821 /nfs/dbraw/zinc/51/48/21/478514821.db2.gz RMHSTFDJYZNKQS-JSGCOSHPSA-N 1 0 331.338 2.862 10 5 EFBERO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC[NH2+]CC1 ZINC000600786780 478521161 /nfs/dbraw/zinc/52/11/61/478521161.db2.gz SRQWLUMMXLWLRC-UHFFFAOYSA-N 1 0 326.356 2.595 10 5 EFBERO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145724 478521830 /nfs/dbraw/zinc/52/18/30/478521830.db2.gz SDDJHVZEVPZTKF-XIKOKIGWSA-N 1 0 328.416 2.691 10 5 EFBERO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794920 478525472 /nfs/dbraw/zinc/52/54/72/478525472.db2.gz UVKJUSYFOVTNFY-ORAYPTAESA-N 1 0 342.395 2.846 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597856860 478542057 /nfs/dbraw/zinc/54/20/57/478542057.db2.gz BNBBYVIZPRNYQG-ZDUSSCGKSA-N 1 0 339.823 2.780 10 5 EFBERO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856847 478542923 /nfs/dbraw/zinc/54/29/23/478542923.db2.gz BFUINLXGWMESLG-YPMHNXCESA-N 1 0 337.395 2.826 10 5 EFBERO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858741 478543663 /nfs/dbraw/zinc/54/36/63/478543663.db2.gz OQYGAIQDUOHZHD-GFCCVEGCSA-N 1 0 337.445 2.919 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597858100 478543893 /nfs/dbraw/zinc/54/38/93/478543893.db2.gz JJAHMAZSZKVXKI-SNVBAGLBSA-N 1 0 325.796 2.851 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597857310 478544354 /nfs/dbraw/zinc/54/43/54/478544354.db2.gz CYIITKFGQYZQKX-LLVKDONJSA-N 1 0 337.445 2.919 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597858160 478544861 /nfs/dbraw/zinc/54/48/61/478544861.db2.gz KWHMUMQAOOEIJM-CQSZACIVSA-N 1 0 346.431 2.772 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597859695 478546765 /nfs/dbraw/zinc/54/67/65/478546765.db2.gz FUAQATMSUDXXGV-HRCADAONSA-N 1 0 331.416 2.687 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597860204 478546944 /nfs/dbraw/zinc/54/69/44/478546944.db2.gz LVJUCRPAYPOROL-ZDUSSCGKSA-N 1 0 333.432 2.861 10 5 EFBERO Cc1c(Br)c(N[C@H]2CC[C@H](C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000600962894 478586966 /nfs/dbraw/zinc/58/69/66/478586966.db2.gz OVJCQFPEWLGHNH-MGCOHNPYSA-N 1 0 343.225 2.990 10 5 EFBERO C[NH+](C)CC(C)(C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600964484 478587299 /nfs/dbraw/zinc/58/72/99/478587299.db2.gz BNJYXXBBOSIFLG-UHFFFAOYSA-N 1 0 333.432 2.721 10 5 EFBERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939932 478594972 /nfs/dbraw/zinc/59/49/72/478594972.db2.gz VVMNQLCQKVGRMV-AQUOVQTQSA-N 1 0 346.305 2.901 10 5 EFBERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945286 478599505 /nfs/dbraw/zinc/59/95/05/478599505.db2.gz XUZQJXATOUXEFM-OASPWFOLSA-N 1 0 326.780 2.578 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000594948917 478600926 /nfs/dbraw/zinc/60/09/26/478600926.db2.gz BMNZGRASWNZKAB-KDOFPFPSSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C3CCC3)cs2)c1 ZINC000594957927 478604777 /nfs/dbraw/zinc/60/47/77/478604777.db2.gz XDQMGOXIPOTSBN-OAHLLOKOSA-N 1 0 333.413 2.969 10 5 EFBERO CC1CC[NH+](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600997429 478605282 /nfs/dbraw/zinc/60/52/82/478605282.db2.gz AQBOJBRPHNVPDG-UHFFFAOYSA-N 1 0 345.443 2.865 10 5 EFBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600999477 478606369 /nfs/dbraw/zinc/60/63/69/478606369.db2.gz CIJJEYKVYPKDSP-RDJZCZTQSA-N 1 0 343.427 2.760 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000594969186 478611151 /nfs/dbraw/zinc/61/11/51/478611151.db2.gz ODXUTJZYDBNPEQ-KOMQPUFPSA-N 1 0 330.388 2.652 10 5 EFBERO O=[N+]([O-])c1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000594973586 478613585 /nfs/dbraw/zinc/61/35/85/478613585.db2.gz GOTZGLMQPCLHHQ-INIZCTEOSA-N 1 0 347.440 2.513 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594974477 478614230 /nfs/dbraw/zinc/61/42/30/478614230.db2.gz MEFIPASHMTTZAY-SIRQDLBWSA-N 1 0 338.429 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC000594983465 478616816 /nfs/dbraw/zinc/61/68/16/478616816.db2.gz MREDGBZUOIROOJ-UHFFFAOYSA-N 1 0 342.342 2.837 10 5 EFBERO CC1(C)[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(F)F ZINC000594991857 478620503 /nfs/dbraw/zinc/62/05/03/478620503.db2.gz LNCCPRVQRQHBHE-CYBMUJFWSA-N 1 0 328.315 2.747 10 5 EFBERO CC(C)[N@@H+]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601034843 478624674 /nfs/dbraw/zinc/62/46/74/478624674.db2.gz MVQCZMLGLJIYEE-UHFFFAOYSA-N 1 0 345.443 2.959 10 5 EFBERO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598039866 478626801 /nfs/dbraw/zinc/62/68/01/478626801.db2.gz AWASTIAUHXGOJW-OAHLLOKOSA-N 1 0 349.431 2.615 10 5 EFBERO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598041816 478628620 /nfs/dbraw/zinc/62/86/20/478628620.db2.gz NJNKKFCSIUOBBV-HNNXBMFYSA-N 1 0 346.431 2.725 10 5 EFBERO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598041266 478628772 /nfs/dbraw/zinc/62/87/72/478628772.db2.gz KTJVRNDXODSVNE-AWEZNQCLSA-N 1 0 337.445 2.630 10 5 EFBERO CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](CC)C1 ZINC000598044162 478630963 /nfs/dbraw/zinc/63/09/63/478630963.db2.gz YVIREOPUTDZZGE-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000595079047 478652440 /nfs/dbraw/zinc/65/24/40/478652440.db2.gz HIXVBIYWDIEBFZ-QMTHXVAHSA-N 1 0 327.331 2.947 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](C)C ZINC000601100535 478655642 /nfs/dbraw/zinc/65/56/42/478655642.db2.gz TXEKLNFBUDRANA-MRVPVSSYSA-N 1 0 347.297 2.655 10 5 EFBERO Cc1cncc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595090340 478656472 /nfs/dbraw/zinc/65/64/72/478656472.db2.gz NMFPQTUPYICHKP-KRWDZBQOSA-N 1 0 326.400 2.847 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106845 478661991 /nfs/dbraw/zinc/66/19/91/478661991.db2.gz NFMGJGMVEGYQLG-CHWSQXEVSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108012 478662436 /nfs/dbraw/zinc/66/24/36/478662436.db2.gz YSEBVDKDDOVIFA-CJNGLKHVSA-N 1 0 332.404 2.536 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601109755 478662523 /nfs/dbraw/zinc/66/25/23/478662523.db2.gz YAXXBLOKOLJWIU-JTQLQIEISA-N 1 0 349.357 2.879 10 5 EFBERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108014 478663843 /nfs/dbraw/zinc/66/38/43/478663843.db2.gz YSEBVDKDDOVIFA-XJKSGUPXSA-N 1 0 332.404 2.536 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601119820 478667892 /nfs/dbraw/zinc/66/78/92/478667892.db2.gz WSLJQEFEVXAIJK-VHSXEESVSA-N 1 0 349.357 2.514 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCC(C[NH+](C)C)CC1 ZINC000601132234 478677358 /nfs/dbraw/zinc/67/73/58/478677358.db2.gz BZOXNQFBIDJPDH-UHFFFAOYSA-N 1 0 349.357 2.879 10 5 EFBERO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000591891546 478678999 /nfs/dbraw/zinc/67/89/99/478678999.db2.gz JXEMUALEUCIMSP-ZFWWWQNUSA-N 1 0 347.415 2.516 10 5 EFBERO C[C@@H](C1CC[NH+](C)CC1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601138194 478681565 /nfs/dbraw/zinc/68/15/65/478681565.db2.gz QNYJULDZVFZMLT-VIFPVBQESA-N 1 0 349.357 2.514 10 5 EFBERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000601152561 478691526 /nfs/dbraw/zinc/69/15/26/478691526.db2.gz FVKZUAJELYPIMR-LJQANCHMSA-N 1 0 344.411 2.995 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000595222176 478692959 /nfs/dbraw/zinc/69/29/59/478692959.db2.gz SQMJEDGXZZVKOO-GDBMZVCRSA-N 1 0 325.368 2.552 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224412 478693519 /nfs/dbraw/zinc/69/35/19/478693519.db2.gz GENGDRMXLJWWPT-GOEBONIOSA-N 1 0 346.431 2.631 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595231933 478696055 /nfs/dbraw/zinc/69/60/55/478696055.db2.gz IWEMNPDNJVGBIU-UHFFFAOYSA-N 1 0 332.404 2.766 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000601174434 478705799 /nfs/dbraw/zinc/70/57/99/478705799.db2.gz CFOVLKWUQVSMCV-UHFFFAOYSA-N 1 0 335.330 2.632 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+]1CCCC1(C)C ZINC000601173109 478706036 /nfs/dbraw/zinc/70/60/36/478706036.db2.gz QYQGCRPKTXIFRH-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000591923436 478709220 /nfs/dbraw/zinc/70/92/20/478709220.db2.gz CKBHVVHQGOIMLL-HNNXBMFYSA-N 1 0 346.431 2.534 10 5 EFBERO C[N@@H+]1CCC[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@H]21 ZINC000591923333 478709461 /nfs/dbraw/zinc/70/94/61/478709461.db2.gz LORWMJHRBJNPHO-GOEBONIOSA-N 1 0 330.432 2.789 10 5 EFBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000601188506 478713309 /nfs/dbraw/zinc/71/33/09/478713309.db2.gz IFVFVDMZTWDRAB-AWEZNQCLSA-N 1 0 347.337 2.507 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000601190462 478714774 /nfs/dbraw/zinc/71/47/74/478714774.db2.gz ZGLSPESHTJSUOD-NXEZZACHSA-N 1 0 347.341 2.776 10 5 EFBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000601189337 478714816 /nfs/dbraw/zinc/71/48/16/478714816.db2.gz PWIYWLIKKRTPDV-AWEZNQCLSA-N 1 0 347.337 2.507 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601191171 478716334 /nfs/dbraw/zinc/71/63/34/478716334.db2.gz JGVAGAPWLMYPBW-VIFPVBQESA-N 1 0 349.357 2.879 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000601216377 478728269 /nfs/dbraw/zinc/72/82/69/478728269.db2.gz QLFSFCMYUBMLOC-UHFFFAOYSA-N 1 0 346.431 2.539 10 5 EFBERO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000595316453 478729085 /nfs/dbraw/zinc/72/90/85/478729085.db2.gz FQSDPAUECXUENP-AWEZNQCLSA-N 1 0 335.379 2.568 10 5 EFBERO C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000601233231 478739329 /nfs/dbraw/zinc/73/93/29/478739329.db2.gz ZTGLTOWXSOGZMY-DZGCQCFKSA-N 1 0 331.416 2.615 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000543578599 478753778 /nfs/dbraw/zinc/75/37/78/478753778.db2.gz PHVMSTLYHYZOOR-LLVKDONJSA-N 1 0 325.796 2.710 10 5 EFBERO CC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000583118565 478766625 /nfs/dbraw/zinc/76/66/25/478766625.db2.gz XLKRCQLCVXQVKA-UHFFFAOYSA-N 1 0 335.404 2.834 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000601299038 478773249 /nfs/dbraw/zinc/77/32/49/478773249.db2.gz MJQSEPDKZPCLQX-WHOFXGATSA-N 1 0 328.359 2.912 10 5 EFBERO CC1(C)C[C@H]([NH2+]C2CN(c3ccncn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000601303486 478775070 /nfs/dbraw/zinc/77/50/70/478775070.db2.gz DDMKPQAPQRRQJU-INIZCTEOSA-N 1 0 339.399 2.586 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000601344104 478796185 /nfs/dbraw/zinc/79/61/85/478796185.db2.gz WDFCYYWNTLRCQN-DLBZAZTESA-N 1 0 331.416 2.816 10 5 EFBERO CCC[NH+]1CCC(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000543900210 478796945 /nfs/dbraw/zinc/79/69/45/478796945.db2.gz XYAKPQKPLDYLDR-UHFFFAOYSA-N 1 0 335.404 2.915 10 5 EFBERO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000595476463 478807732 /nfs/dbraw/zinc/80/77/32/478807732.db2.gz RCUXYHITMOCIJE-PBFPGSCMSA-N 1 0 338.379 2.892 10 5 EFBERO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC=CC1 ZINC000592178017 478814204 /nfs/dbraw/zinc/81/42/04/478814204.db2.gz UOPRWAPADNLNSA-KRWDZBQOSA-N 1 0 344.415 2.914 10 5 EFBERO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178365 478815900 /nfs/dbraw/zinc/81/59/00/478815900.db2.gz BYGKZPMDPWOTPB-QGZVFWFLSA-N 1 0 334.416 2.917 10 5 EFBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592185581 478817155 /nfs/dbraw/zinc/81/71/55/478817155.db2.gz ZXOLEDZEWLDKTE-QMTHXVAHSA-N 1 0 345.321 2.656 10 5 EFBERO C[NH+]1CCC2(CC1)CN(Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592184399 478817404 /nfs/dbraw/zinc/81/74/04/478817404.db2.gz KDNPZNUVPOSARG-UHFFFAOYSA-N 1 0 339.823 2.545 10 5 EFBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592185580 478817731 /nfs/dbraw/zinc/81/77/31/478817731.db2.gz ZXOLEDZEWLDKTE-IINYFYTJSA-N 1 0 345.321 2.656 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000598466803 478837955 /nfs/dbraw/zinc/83/79/55/478837955.db2.gz WAGBXONCKDSEOR-UHFFFAOYSA-N 1 0 337.420 2.844 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255130 478842442 /nfs/dbraw/zinc/84/24/42/478842442.db2.gz MJEBLZSNJFIEHG-HUUCEWRRSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1noc(C[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595556757 478852480 /nfs/dbraw/zinc/85/24/80/478852480.db2.gz FTWBWUDLNNOANX-JKSUJKDBSA-N 1 0 345.399 2.849 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592374781 478871437 /nfs/dbraw/zinc/87/14/37/478871437.db2.gz IXMXXYTWGAWWID-GIIHOQTISA-N 1 0 334.416 2.765 10 5 EFBERO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@]1(O)CCOC1 ZINC000592374400 478871771 /nfs/dbraw/zinc/87/17/71/478871771.db2.gz FBNAEXVWAXGRLV-HNNXBMFYSA-N 1 0 328.796 2.515 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560981 478879636 /nfs/dbraw/zinc/87/96/36/478879636.db2.gz ZOQXDEGYRUUTAQ-FZMZJTMJSA-N 1 0 329.356 2.555 10 5 EFBERO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592396710 478883138 /nfs/dbraw/zinc/88/31/38/478883138.db2.gz JHCVWHCNUCFGJZ-AEFFLSMTSA-N 1 0 334.416 2.739 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592395516 478883534 /nfs/dbraw/zinc/88/35/34/478883534.db2.gz CNXGGUZWUSAVMI-KDOFPFPSSA-N 1 0 336.432 2.683 10 5 EFBERO CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000598535926 478884869 /nfs/dbraw/zinc/88/48/69/478884869.db2.gz LOCWLYMCWHLAME-RWMBFGLXSA-N 1 0 337.445 2.674 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595616999 478889674 /nfs/dbraw/zinc/88/96/74/478889674.db2.gz UEJNXGGVTCONOV-OAHLLOKOSA-N 1 0 346.383 2.807 10 5 EFBERO CCOc1cc(C[NH2+][C@H](COC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000595615859 478889698 /nfs/dbraw/zinc/88/96/98/478889698.db2.gz NTWJOVVTFCASDM-OAHLLOKOSA-N 1 0 338.404 2.525 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592427311 478891978 /nfs/dbraw/zinc/89/19/78/478891978.db2.gz ZGWSDFAURYLOFJ-OAHLLOKOSA-N 1 0 332.404 2.953 10 5 EFBERO C[N@@H+]1CCC[C@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601633055 478918317 /nfs/dbraw/zinc/91/83/17/478918317.db2.gz OJKPRMRVKSMWNL-OAHLLOKOSA-N 1 0 345.443 2.865 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571346 478944539 /nfs/dbraw/zinc/94/45/39/478944539.db2.gz XITVQTDQVIGNGO-IUODEOHRSA-N 1 0 349.456 2.866 10 5 EFBERO CC(C)(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]cn1 ZINC000598686152 478969562 /nfs/dbraw/zinc/96/95/62/478969562.db2.gz XLFWTLBKEGBUKX-UHFFFAOYSA-N 1 0 330.388 2.735 10 5 EFBERO O=C1[C@H]([N@@H+]2CCC[C@H](CCF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595756300 478978745 /nfs/dbraw/zinc/97/87/45/478978745.db2.gz SMROFWORNSVOSY-CZUORRHYSA-N 1 0 335.379 2.772 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601740965 478979815 /nfs/dbraw/zinc/97/98/15/478979815.db2.gz YDSMVMVTIRKKEJ-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000595771401 478988932 /nfs/dbraw/zinc/98/89/32/478988932.db2.gz PAIJINMAIFTWDO-QAPCUYQASA-N 1 0 344.415 2.708 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595771481 478988987 /nfs/dbraw/zinc/98/89/87/478988987.db2.gz PRAHICZDDHYYMT-MAUKXSAKSA-N 1 0 344.415 2.708 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595779892 478992689 /nfs/dbraw/zinc/99/26/89/478992689.db2.gz GSCFIEZALMOBEX-OLZOCXBDSA-N 1 0 341.205 2.750 10 5 EFBERO Cc1cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc([N+](=O)[O-])c1 ZINC000601768411 478993023 /nfs/dbraw/zinc/99/30/23/478993023.db2.gz BIPNMRHGMJAITO-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000601790830 479006401 /nfs/dbraw/zinc/00/64/01/479006401.db2.gz CXEQFWWLTVTJJX-UHFFFAOYSA-N 1 0 349.431 2.697 10 5 EFBERO CCOc1ccc(C(=O)N2CCC(CC)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601791108 479006837 /nfs/dbraw/zinc/00/68/37/479006837.db2.gz GTHCNXRCSUAQJJ-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000601792358 479007895 /nfs/dbraw/zinc/00/78/95/479007895.db2.gz WQGKQQMAYJJPOD-UHFFFAOYSA-N 1 0 348.447 2.730 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000601791958 479007972 /nfs/dbraw/zinc/00/79/72/479007972.db2.gz SCEGTFLGEFRYGZ-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000601792571 479008037 /nfs/dbraw/zinc/00/80/37/479008037.db2.gz YAINJIRNWCXDCT-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818361 479015005 /nfs/dbraw/zinc/01/50/05/479015005.db2.gz HRWADFYUUKSOAW-PPWQZUPISA-N 1 0 340.395 2.841 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826965 479020580 /nfs/dbraw/zinc/02/05/80/479020580.db2.gz BMKKQIPVDUBGNC-BNOWGMLFSA-N 1 0 344.371 2.674 10 5 EFBERO CC1=CCN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573754 479034123 /nfs/dbraw/zinc/03/41/23/479034123.db2.gz ALCGMUOKBBFHDB-HNNXBMFYSA-N 1 0 346.431 2.554 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595874030 479044776 /nfs/dbraw/zinc/04/47/76/479044776.db2.gz REHYXYBEXBDUGC-UHFFFAOYSA-N 1 0 336.436 2.552 10 5 EFBERO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000573402758 479058292 /nfs/dbraw/zinc/05/82/92/479058292.db2.gz OOGQJDFUXZTWRQ-TZMCWYRMSA-N 1 0 328.416 2.833 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000595902692 479060897 /nfs/dbraw/zinc/06/08/97/479060897.db2.gz GGYQODVXNSAKDP-INIZCTEOSA-N 1 0 327.384 2.884 10 5 EFBERO C[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595920271 479074142 /nfs/dbraw/zinc/07/41/42/479074142.db2.gz PUMQGDLWMAEIJO-NSHDSACASA-N 1 0 344.371 2.541 10 5 EFBERO Cc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595932595 479077026 /nfs/dbraw/zinc/07/70/26/479077026.db2.gz AUMMFXXKDLXXRE-INIZCTEOSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1c(CC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595936041 479078930 /nfs/dbraw/zinc/07/89/30/479078930.db2.gz MJYGPZTWJIBUPQ-KRWDZBQOSA-N 1 0 345.443 2.684 10 5 EFBERO Cc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000595935751 479079021 /nfs/dbraw/zinc/07/90/21/479079021.db2.gz USQJXHRCZCDFKH-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595934591 479079490 /nfs/dbraw/zinc/07/94/90/479079490.db2.gz PFULMUHUDWARSI-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000595949189 479080784 /nfs/dbraw/zinc/08/07/84/479080784.db2.gz YURHBXPSFGLQDT-CYBMUJFWSA-N 1 0 348.447 2.640 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595950806 479081779 /nfs/dbraw/zinc/08/17/79/479081779.db2.gz MUDWVULUCFHTKP-CYBMUJFWSA-N 1 0 348.428 2.822 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)nc1 ZINC000546984087 479083126 /nfs/dbraw/zinc/08/31/26/479083126.db2.gz QLGVDTUCUUSFDI-UHFFFAOYSA-N 1 0 348.322 2.952 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000598914493 479083338 /nfs/dbraw/zinc/08/33/38/479083338.db2.gz GMTMPKNQNQKURJ-HNNXBMFYSA-N 1 0 338.795 2.856 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000598917026 479084957 /nfs/dbraw/zinc/08/49/57/479084957.db2.gz PLNYFIJCKSMYOT-BXUZGUMPSA-N 1 0 336.367 2.730 10 5 EFBERO C[N@@H+]1C[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592883190 479088607 /nfs/dbraw/zinc/08/86/07/479088607.db2.gz YUKBGXFBMPPIEC-CABCVRRESA-N 1 0 345.424 2.732 10 5 EFBERO COc1cc(N2CCc3[nH+]ccc(N)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000598944173 479094724 /nfs/dbraw/zinc/09/47/24/479094724.db2.gz YEOMOPWASIJYFA-UHFFFAOYSA-N 1 0 334.763 2.797 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(Cc2cccs2)C1 ZINC000601966050 479099320 /nfs/dbraw/zinc/09/93/20/479099320.db2.gz XTAAXOQTKFKLPY-CQSZACIVSA-N 1 0 348.424 2.571 10 5 EFBERO [NH3+]C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000601965728 479099966 /nfs/dbraw/zinc/09/99/66/479099966.db2.gz YGWVBQPGWBFBMA-CQSZACIVSA-N 1 0 327.384 2.926 10 5 EFBERO Cc1scc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000601969512 479102025 /nfs/dbraw/zinc/10/20/25/479102025.db2.gz UCBGMUZJQJANEE-AWEZNQCLSA-N 1 0 336.413 2.803 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601973073 479103691 /nfs/dbraw/zinc/10/36/91/479103691.db2.gz HBLRHBSHEUBIDV-HNNXBMFYSA-N 1 0 345.443 2.911 10 5 EFBERO CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601975293 479104320 /nfs/dbraw/zinc/10/43/20/479104320.db2.gz MXVKJOUXXHQIPF-AWEZNQCLSA-N 1 0 333.432 2.767 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000601976334 479105168 /nfs/dbraw/zinc/10/51/68/479105168.db2.gz POQRHWLRZDRASK-AWEZNQCLSA-N 1 0 330.331 2.720 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601974497 479105273 /nfs/dbraw/zinc/10/52/73/479105273.db2.gz JQBBJOGSOPCENR-AFAVFJNCSA-N 1 0 349.456 2.533 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000601978647 479107003 /nfs/dbraw/zinc/10/70/03/479107003.db2.gz ZOBUXMMTHNRIRP-OAHLLOKOSA-N 1 0 348.447 2.681 10 5 EFBERO Cn1cc(C[NH2+]CC[C@@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598985610 479115302 /nfs/dbraw/zinc/11/53/02/479115302.db2.gz WBTGITBPSNOLMZ-AWEZNQCLSA-N 1 0 344.415 2.902 10 5 EFBERO CCc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000592998350 479119203 /nfs/dbraw/zinc/11/92/03/479119203.db2.gz RHZDEUQQYDTALX-MRXNPFEDSA-N 1 0 330.384 2.687 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000599000056 479120511 /nfs/dbraw/zinc/12/05/11/479120511.db2.gz RVJRSLLKPFNDDW-QGZVFWFLSA-N 1 0 325.368 2.820 10 5 EFBERO COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000598999125 479120922 /nfs/dbraw/zinc/12/09/22/479120922.db2.gz JRENTJVVRBTMEG-OAHLLOKOSA-N 1 0 349.431 2.719 10 5 EFBERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000599004491 479123573 /nfs/dbraw/zinc/12/35/73/479123573.db2.gz RLVDEARLARRHFD-XYPYZODXSA-N 1 0 331.397 2.677 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599008643 479124143 /nfs/dbraw/zinc/12/41/43/479124143.db2.gz ZVQMOINQIARFPJ-RISCZKNCSA-N 1 0 328.315 2.853 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596077435 479124957 /nfs/dbraw/zinc/12/49/57/479124957.db2.gz WGKPKTXAMGIHCW-UHFFFAOYSA-N 1 0 341.795 2.933 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C(C)C)C2CCOCC2)c1 ZINC000593018067 479126986 /nfs/dbraw/zinc/12/69/86/479126986.db2.gz JWBWTDSEJVDASA-UHFFFAOYSA-N 1 0 336.388 2.771 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000593030031 479132897 /nfs/dbraw/zinc/13/28/97/479132897.db2.gz HVERUNFCONXGAQ-UAGQMJEPSA-N 1 0 348.399 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000593030916 479133515 /nfs/dbraw/zinc/13/35/15/479133515.db2.gz QEVNKMIOEPYILR-OAHLLOKOSA-N 1 0 336.388 2.508 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000593029593 479133723 /nfs/dbraw/zinc/13/37/23/479133723.db2.gz CRAXJOTUGCXTNM-NUEKZKHPSA-N 1 0 348.399 2.675 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040573 479135000 /nfs/dbraw/zinc/13/50/00/479135000.db2.gz KEKZSSQNKSJIRD-CQSZACIVSA-N 1 0 330.388 2.666 10 5 EFBERO C[N@@H+]1CCC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000593036268 479136158 /nfs/dbraw/zinc/13/61/58/479136158.db2.gz WUKYLFMJULGIMG-KZNAEPCWSA-N 1 0 347.459 2.795 10 5 EFBERO C[NH+](C)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC000599044363 479136794 /nfs/dbraw/zinc/13/67/94/479136794.db2.gz PTPDTAAMMOTPDC-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000599055311 479140848 /nfs/dbraw/zinc/14/08/48/479140848.db2.gz DLSIZDGHNRSIEH-KGLIPLIRSA-N 1 0 335.404 2.718 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCCOC1 ZINC000599054553 479141097 /nfs/dbraw/zinc/14/10/97/479141097.db2.gz BMXUVVHVAPNYKS-UONOGXRCSA-N 1 0 335.404 2.718 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599074021 479151482 /nfs/dbraw/zinc/15/14/82/479151482.db2.gz JFTKQUHWCJICJA-LAIFWZPXSA-N 1 0 335.404 2.713 10 5 EFBERO CN1CCOC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082675 479154101 /nfs/dbraw/zinc/15/41/01/479154101.db2.gz XWZNJBRQKXJTHN-RTBURBONSA-N 1 0 341.411 2.604 10 5 EFBERO CC(=O)NCC[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086037 479155436 /nfs/dbraw/zinc/15/54/36/479155436.db2.gz XSYDRESFXAOPRD-AWEZNQCLSA-N 1 0 342.399 2.886 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599093705 479158814 /nfs/dbraw/zinc/15/88/14/479158814.db2.gz QDVQNHQDBRUPQK-WFASDCNBSA-N 1 0 347.415 2.798 10 5 EFBERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599094167 479159010 /nfs/dbraw/zinc/15/90/10/479159010.db2.gz YZEWKWOBRKSKIM-KFWWJZLASA-N 1 0 332.360 2.857 10 5 EFBERO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCC1 ZINC000599093691 479159040 /nfs/dbraw/zinc/15/90/40/479159040.db2.gz PVHWAWPRESYMQJ-SJORKVTESA-N 1 0 329.400 2.715 10 5 EFBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000599093569 479159634 /nfs/dbraw/zinc/15/96/34/479159634.db2.gz RWSOVRXPQCHNMM-OWCLPIDISA-N 1 0 344.371 2.783 10 5 EFBERO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596140080 479160241 /nfs/dbraw/zinc/16/02/41/479160241.db2.gz CYHOYSUVRXEPBZ-NSHDSACASA-N 1 0 347.337 2.507 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593078116 479160309 /nfs/dbraw/zinc/16/03/09/479160309.db2.gz UQVWOEGZPGLQLX-AWEZNQCLSA-N 1 0 329.404 2.968 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593093020 479170952 /nfs/dbraw/zinc/17/09/52/479170952.db2.gz QVKZURGYBSZCNM-AWEZNQCLSA-N 1 0 347.415 2.875 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000584540205 479171832 /nfs/dbraw/zinc/17/18/32/479171832.db2.gz QQKATCQRIZQPQV-CJNGLKHVSA-N 1 0 339.399 2.631 10 5 EFBERO COc1cc(N2CCC([NH2+]C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167882 479176746 /nfs/dbraw/zinc/17/67/46/479176746.db2.gz PPLCVSYXXFIZQO-UHFFFAOYSA-N 1 0 325.796 2.978 10 5 EFBERO C[NH+]1CCC(N(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000610774434 479183473 /nfs/dbraw/zinc/18/34/73/479183473.db2.gz NTRKYQZSIQJZQL-UHFFFAOYSA-N 1 0 340.383 2.731 10 5 EFBERO COc1ccc(OCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117114 479185538 /nfs/dbraw/zinc/18/55/38/479185538.db2.gz OWBOMIIIASCHFV-CQSZACIVSA-N 1 0 328.315 2.713 10 5 EFBERO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3C3CCCC3)cc2N1 ZINC000599165256 479189881 /nfs/dbraw/zinc/18/98/81/479189881.db2.gz PEJWIAGOTWXYPX-CQSZACIVSA-N 1 0 344.415 2.908 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000599186455 479201488 /nfs/dbraw/zinc/20/14/88/479201488.db2.gz HHRJYCGCYAOJIN-UHFFFAOYSA-N 1 0 325.434 2.738 10 5 EFBERO C[NH+](C)[C@H]1CCOc2c(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cccc21 ZINC000596214733 479204581 /nfs/dbraw/zinc/20/45/81/479204581.db2.gz KMOVRNSOCWLKJA-ZDUSSCGKSA-N 1 0 330.344 2.824 10 5 EFBERO CCOc1cccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267969 479232765 /nfs/dbraw/zinc/23/27/65/479232765.db2.gz DSTIFCGUMVSNDF-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574191856 479237825 /nfs/dbraw/zinc/23/78/25/479237825.db2.gz KBWNNFFMUKGBPI-HUUCEWRRSA-N 1 0 348.447 2.776 10 5 EFBERO CN1CCO[C@@H](CSc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596284541 479238309 /nfs/dbraw/zinc/23/83/09/479238309.db2.gz AFOIMTDQURULFA-SECBINFHSA-N 1 0 347.234 2.780 10 5 EFBERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc(C)c1[N+](=O)[O-] ZINC000596309361 479247769 /nfs/dbraw/zinc/24/77/69/479247769.db2.gz ZKORQDOHQKXOLT-ZDUSSCGKSA-N 1 0 335.404 2.975 10 5 EFBERO O=[N+]([O-])c1ccsc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315565 479250744 /nfs/dbraw/zinc/25/07/44/479250744.db2.gz YAFXBRLRCRJGSC-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO Cc1cc(N2CC[C@@H](Cn3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596323059 479254017 /nfs/dbraw/zinc/25/40/17/479254017.db2.gz ZKBPPIXOFWLHRO-CYBMUJFWSA-N 1 0 338.371 2.569 10 5 EFBERO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596358244 479265220 /nfs/dbraw/zinc/26/52/20/479265220.db2.gz ZDSWZTWFSTXUNL-QGZVFWFLSA-N 1 0 348.447 2.653 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000603144073 479272355 /nfs/dbraw/zinc/27/23/55/479272355.db2.gz VQXKEHREMIAGMZ-MRXNPFEDSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@H]1C[C@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370497 479273728 /nfs/dbraw/zinc/27/37/28/479273728.db2.gz IXZRMFFUJLBFKK-STQMWFEESA-N 1 0 329.404 2.639 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000611104201 479283983 /nfs/dbraw/zinc/28/39/83/479283983.db2.gz MNWOMNTUOSUAQP-CYBMUJFWSA-N 1 0 325.434 2.738 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000611104337 479284142 /nfs/dbraw/zinc/28/41/42/479284142.db2.gz QBJIFBOSRLDRPF-INIZCTEOSA-N 1 0 333.432 2.984 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000596424606 479288531 /nfs/dbraw/zinc/28/85/31/479288531.db2.gz UAQRPXRAMKIVGC-INIZCTEOSA-N 1 0 345.374 2.913 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179384 479303205 /nfs/dbraw/zinc/30/32/05/479303205.db2.gz CADRALRXBDZFBM-NSHDSACASA-N 1 0 327.331 2.819 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180686 479305114 /nfs/dbraw/zinc/30/51/14/479305114.db2.gz PJZULDDTBQTSHY-UHFFFAOYSA-N 1 0 339.342 2.963 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195734 479308477 /nfs/dbraw/zinc/30/84/77/479308477.db2.gz VZSLHTLJNLQKSZ-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO COCCC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000599506517 479315597 /nfs/dbraw/zinc/31/55/97/479315597.db2.gz KZJMEKWNFJSRGN-UHFFFAOYSA-N 1 0 336.388 2.630 10 5 EFBERO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc2ccccc2s1 ZINC000599533573 479323744 /nfs/dbraw/zinc/32/37/44/479323744.db2.gz NVLQEJNQNUXQLY-UHFFFAOYSA-N 1 0 331.401 2.926 10 5 EFBERO O=C1[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599552805 479331890 /nfs/dbraw/zinc/33/18/90/479331890.db2.gz IYRIWPKQSDTYDT-OWCLPIDISA-N 1 0 347.440 2.670 10 5 EFBERO CC1(C)CCC[C@@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599592910 479344435 /nfs/dbraw/zinc/34/44/35/479344435.db2.gz CNVVIMXCBSYVJF-QGZVFWFLSA-N 1 0 332.404 2.892 10 5 EFBERO CC1(C)CCC[C@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599592909 479344919 /nfs/dbraw/zinc/34/49/19/479344919.db2.gz CNVVIMXCBSYVJF-KRWDZBQOSA-N 1 0 332.404 2.892 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599605101 479349067 /nfs/dbraw/zinc/34/90/67/479349067.db2.gz SAJVKWAOVVLCQD-CALCHBBNSA-N 1 0 332.404 2.675 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599604968 479349206 /nfs/dbraw/zinc/34/92/06/479349206.db2.gz GVHFXCGYYZLKBB-CALCHBBNSA-N 1 0 332.404 2.621 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599605719 479350293 /nfs/dbraw/zinc/35/02/93/479350293.db2.gz DRRVOZUOGTUPEX-CALCHBBNSA-N 1 0 332.404 2.675 10 5 EFBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000593463684 479352157 /nfs/dbraw/zinc/35/21/57/479352157.db2.gz CESSLUGHDRRBNG-UHFFFAOYSA-N 1 0 349.406 2.611 10 5 EFBERO CS[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000593465165 479353312 /nfs/dbraw/zinc/35/33/12/479353312.db2.gz KBSCBUPEUKVVFA-HOTGVXAUSA-N 1 0 332.429 2.625 10 5 EFBERO CC1(C)Cc2n[nH]cc2C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000596598446 479353410 /nfs/dbraw/zinc/35/34/10/479353410.db2.gz GIHRQYDCIUIOPH-UHFFFAOYSA-N 1 0 330.388 2.781 10 5 EFBERO CC1(C)Cc2n[nH]cc2C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000596598374 479353433 /nfs/dbraw/zinc/35/34/33/479353433.db2.gz DIZZVTBVXDXMQS-UHFFFAOYSA-N 1 0 330.388 2.781 10 5 EFBERO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469152 479355732 /nfs/dbraw/zinc/35/57/32/479355732.db2.gz MGZWADNCKRTZGK-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624369 479356894 /nfs/dbraw/zinc/35/68/94/479356894.db2.gz CYJNIDFBHIFZTF-XGNSQUDCSA-N 1 0 335.404 2.632 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625642 479358371 /nfs/dbraw/zinc/35/83/71/479358371.db2.gz NXLMRLFGKJBKAP-VGAUDOQQSA-N 1 0 341.795 2.588 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599626483 479358857 /nfs/dbraw/zinc/35/88/57/479358857.db2.gz WXVYUXPJKLQDRG-HEKSYOIISA-N 1 0 335.404 2.633 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000611377191 479362212 /nfs/dbraw/zinc/36/22/12/479362212.db2.gz WISPKYOOAXRMHN-CYBMUJFWSA-N 1 0 331.372 2.506 10 5 EFBERO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000596624134 479362747 /nfs/dbraw/zinc/36/27/47/479362747.db2.gz FJDZRTAUGCVCRS-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCC[C@@H]21 ZINC000599651467 479369613 /nfs/dbraw/zinc/36/96/13/479369613.db2.gz BTZSVEFYIFFBPZ-RBSFLKMASA-N 1 0 348.399 2.767 10 5 EFBERO C[C@H]1CCC[N@H+](CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587240128 479370417 /nfs/dbraw/zinc/37/04/17/479370417.db2.gz ODQQWIHSAAPPPX-ZDUSSCGKSA-N 1 0 336.436 2.593 10 5 EFBERO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587626452 479373054 /nfs/dbraw/zinc/37/30/54/479373054.db2.gz ULWUHXLDSPZWTF-OAHLLOKOSA-N 1 0 336.436 2.736 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599661166 479376594 /nfs/dbraw/zinc/37/65/94/479376594.db2.gz SKWYYFYTBXWVPY-RBSFLKMASA-N 1 0 348.399 2.767 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599661100 479377279 /nfs/dbraw/zinc/37/72/79/479377279.db2.gz SCWOOSQOUZYVOS-BBWFWOEESA-N 1 0 348.399 2.637 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599661103 479377493 /nfs/dbraw/zinc/37/74/93/479377493.db2.gz SCWOOSQOUZYVOS-BRWVUGGUSA-N 1 0 348.399 2.637 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccccc1 ZINC000588007911 479382903 /nfs/dbraw/zinc/38/29/03/479382903.db2.gz MKEXCIORZODVHB-SJLPKXTDSA-N 1 0 342.399 2.527 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccccc1 ZINC000588007909 479383115 /nfs/dbraw/zinc/38/31/15/479383115.db2.gz MKEXCIORZODVHB-AEFFLSMTSA-N 1 0 342.399 2.527 10 5 EFBERO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599675571 479385515 /nfs/dbraw/zinc/38/55/15/479385515.db2.gz RYCKAZFTXAUNMK-KSSFIOAISA-N 1 0 329.400 2.748 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000611515337 479402480 /nfs/dbraw/zinc/40/24/80/479402480.db2.gz JYGDNIZYKOYBQJ-CQSZACIVSA-N 1 0 328.372 2.773 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC1CCC1 ZINC000575174183 479414546 /nfs/dbraw/zinc/41/45/46/479414546.db2.gz AGPALMDPLZTKPM-ZDUSSCGKSA-N 1 0 335.404 2.718 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000593670493 479417390 /nfs/dbraw/zinc/41/73/90/479417390.db2.gz RLVDEARLARRHFD-PHIMTYICSA-N 1 0 331.397 2.677 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000593670109 479417546 /nfs/dbraw/zinc/41/75/46/479417546.db2.gz LGMBLVUIZORDLD-TXEJJXNPSA-N 1 0 331.397 2.677 10 5 EFBERO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599769853 479419520 /nfs/dbraw/zinc/41/95/20/479419520.db2.gz BYXOUTGRVSPHML-CQSZACIVSA-N 1 0 348.403 2.742 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593676507 479420350 /nfs/dbraw/zinc/42/03/50/479420350.db2.gz LWIOFOKDPJOKCQ-HYXAFXHYSA-N 1 0 327.388 2.612 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593676506 479420410 /nfs/dbraw/zinc/42/04/10/479420410.db2.gz LWIOFOKDPJOKCQ-HWKANZROSA-N 1 0 327.388 2.612 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000611616832 479431074 /nfs/dbraw/zinc/43/10/74/479431074.db2.gz NWEIYJNNDBSMIU-AWEZNQCLSA-N 1 0 334.420 2.519 10 5 EFBERO CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717012 479432735 /nfs/dbraw/zinc/43/27/35/479432735.db2.gz XARUPGCEULQOOT-HZPDHXFCSA-N 1 0 337.468 2.843 10 5 EFBERO CCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829818 479442474 /nfs/dbraw/zinc/44/24/74/479442474.db2.gz MGCWADWCFMGGIK-UHFFFAOYSA-N 1 0 343.387 2.703 10 5 EFBERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596827223 479443101 /nfs/dbraw/zinc/44/31/01/479443101.db2.gz AADAABKTQZSTDD-UHFFFAOYSA-N 1 0 346.309 2.639 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@@H+]1C ZINC000599832241 479443427 /nfs/dbraw/zinc/44/34/27/479443427.db2.gz TYGBZTVHQACPKJ-RYUDHWBXSA-N 1 0 343.387 2.747 10 5 EFBERO C[NH+](C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831683 479443450 /nfs/dbraw/zinc/44/34/50/479443450.db2.gz WDXBPAKMADXMKR-UHFFFAOYSA-N 1 0 343.387 2.701 10 5 EFBERO CCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830886 479443783 /nfs/dbraw/zinc/44/37/83/479443783.db2.gz YDYZORUPZPRNLD-UHFFFAOYSA-N 1 0 345.403 2.996 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000611700263 479449080 /nfs/dbraw/zinc/44/90/80/479449080.db2.gz FMHRXGATADPPKL-UHFFFAOYSA-N 1 0 341.415 2.850 10 5 EFBERO C[C@H](CCn1cccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959174 479462422 /nfs/dbraw/zinc/46/24/22/479462422.db2.gz AOQNFEBEPXZAGK-CYBMUJFWSA-N 1 0 327.388 2.884 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000611749009 479466332 /nfs/dbraw/zinc/46/63/32/479466332.db2.gz MRTIUSIZNOVIJD-UHFFFAOYSA-N 1 0 339.311 2.706 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599920710 479470567 /nfs/dbraw/zinc/47/05/67/479470567.db2.gz LXUKYVYYIOXYCN-WFASDCNBSA-N 1 0 332.404 2.548 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cnccc43)CC2)cn1 ZINC000611956153 479532208 /nfs/dbraw/zinc/53/22/08/479532208.db2.gz BASACKLQPCORQQ-UHFFFAOYSA-N 1 0 349.394 2.860 10 5 EFBERO CCOC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589500011 479533850 /nfs/dbraw/zinc/53/38/50/479533850.db2.gz OYOXBTJPICYFQM-ZDUSSCGKSA-N 1 0 336.388 2.630 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502202 479534101 /nfs/dbraw/zinc/53/41/01/479534101.db2.gz OOIRZGHVAFAALA-BBRMVZONSA-N 1 0 349.431 2.686 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042337 479562873 /nfs/dbraw/zinc/56/28/73/479562873.db2.gz IHFDJACYWKREPC-DZGCQCFKSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044154 479564260 /nfs/dbraw/zinc/56/42/60/479564260.db2.gz PPOIYXYIXVZVSO-GOEBONIOSA-N 1 0 336.388 2.819 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091665 479568957 /nfs/dbraw/zinc/56/89/57/479568957.db2.gz BXXNQDLACYGDOJ-VIFPVBQESA-N 1 0 343.815 2.682 10 5 EFBERO Cn1ncc(C2CCC2)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597118123 479581473 /nfs/dbraw/zinc/58/14/73/479581473.db2.gz KFZWNMNXZFLEEK-UHFFFAOYSA-N 1 0 344.419 2.629 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000594102998 479588860 /nfs/dbraw/zinc/58/88/60/479588860.db2.gz RQFCRCQHCOULKS-WVSHTKLVSA-N 1 0 345.321 2.684 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590052936 479596831 /nfs/dbraw/zinc/59/68/31/479596831.db2.gz QRWBQCKEUGZGRP-CJNGLKHVSA-N 1 0 344.440 2.854 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000597172761 479605202 /nfs/dbraw/zinc/60/52/02/479605202.db2.gz CCBPAYLHHATVRL-MBSJSRAVSA-N 1 0 327.388 2.612 10 5 EFBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597211368 479622181 /nfs/dbraw/zinc/62/21/81/479622181.db2.gz MYJOBPYKXNNTAT-KPZWWZAWSA-N 1 0 344.367 2.820 10 5 EFBERO CC(C)NC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597231092 479632808 /nfs/dbraw/zinc/63/28/08/479632808.db2.gz IJIIFDHXXJQTJU-CDVVCGDMSA-N 1 0 331.416 2.845 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000590376104 479635962 /nfs/dbraw/zinc/63/59/62/479635962.db2.gz UUNGVCHNUYVPPB-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236528 479636109 /nfs/dbraw/zinc/63/61/09/479636109.db2.gz ROFCLXBIJDYPDZ-LSSBLYJVSA-N 1 0 345.443 2.529 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236526 479637045 /nfs/dbraw/zinc/63/70/45/479637045.db2.gz ROFCLXBIJDYPDZ-HVEPWOEZSA-N 1 0 345.443 2.529 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248026 479643206 /nfs/dbraw/zinc/64/32/06/479643206.db2.gz JOVJUODMGLRAFB-JZLODUJNSA-N 1 0 333.432 2.651 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619451591 479796679 /nfs/dbraw/zinc/79/66/79/479796679.db2.gz BOQOYOQLQCINHM-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(CC[NH+]1CC(CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000619705914 479862808 /nfs/dbraw/zinc/86/28/08/479862808.db2.gz DEZNCKYDWNKMKX-UHFFFAOYSA-N 1 0 331.294 2.808 10 5 EFBERO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000609465984 480164367 /nfs/dbraw/zinc/16/43/67/480164367.db2.gz VMQNQNAIPAADJP-KRWDZBQOSA-N 1 0 325.368 2.532 10 5 EFBERO CN1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000609598853 480185229 /nfs/dbraw/zinc/18/52/29/480185229.db2.gz ZILCKOREZPBFTE-ZDUSSCGKSA-N 1 0 332.429 2.902 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000610371634 480293263 /nfs/dbraw/zinc/29/32/63/480293263.db2.gz VZICVVGFBCYHTH-CVEARBPZSA-N 1 0 333.432 2.843 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000643364537 481436300 /nfs/dbraw/zinc/43/63/00/481436300.db2.gz IGMQBSICSOHSET-CQSZACIVSA-N 1 0 349.434 2.848 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047039033 518193227 /nfs/dbraw/zinc/19/32/27/518193227.db2.gz RLWZDPFNOIUPEX-KBPBESRZSA-N 1 0 348.447 2.786 10 5 EFBERO CC(=O)NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180036577 519659962 /nfs/dbraw/zinc/65/99/62/519659962.db2.gz GNVZOIJATNWNJU-SFHVURJKSA-N 1 0 327.384 2.800 10 5 EFBERO C[C@@H]1C[N@@H+](CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153932753 534463814 /nfs/dbraw/zinc/46/38/14/534463814.db2.gz WAQPDHAHHLGBGI-TXEJJXNPSA-N 1 0 342.827 2.945 10 5 EFBERO Cc1nsc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183373332 534504307 /nfs/dbraw/zinc/50/43/07/534504307.db2.gz IDGAGLQCQVRDAU-UHFFFAOYSA-N 1 0 347.444 2.775 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000077729616 520914248 /nfs/dbraw/zinc/91/42/48/520914248.db2.gz PLJWOMGAYOKTLK-AWEZNQCLSA-N 1 0 337.420 2.700 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245477838 521633733 /nfs/dbraw/zinc/63/37/33/521633733.db2.gz USRKBEHFKYTOQG-HUUCEWRRSA-N 1 0 348.447 2.646 10 5 EFBERO COc1cc(C[NH2+]C[C@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1O ZINC000077455756 522461774 /nfs/dbraw/zinc/46/17/74/522461774.db2.gz YIKOADWXQNGQFS-MRXNPFEDSA-N 1 0 326.393 2.586 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614314 522524065 /nfs/dbraw/zinc/52/40/65/522524065.db2.gz XNRUPOCJXYKSMC-STQMWFEESA-N 1 0 329.404 2.723 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000245434230 523485657 /nfs/dbraw/zinc/48/56/57/523485657.db2.gz REDNAJYMMKOGTM-CABCVRRESA-N 1 0 332.404 2.994 10 5 EFBERO COCCN(C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180404301 523614339 /nfs/dbraw/zinc/61/43/39/523614339.db2.gz KHKYKZPUJAVQAD-LJQANCHMSA-N 1 0 343.427 2.852 10 5 EFBERO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000245444104 523665060 /nfs/dbraw/zinc/66/50/60/523665060.db2.gz JISASMIMHLIMMK-CABCVRRESA-N 1 0 347.415 2.691 10 5 EFBERO CN1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000180585778 524025556 /nfs/dbraw/zinc/02/55/56/524025556.db2.gz VAUWWCAIWANVGM-VQIMIIECSA-N 1 0 339.395 2.895 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192710192 525405023 /nfs/dbraw/zinc/40/50/23/525405023.db2.gz PFLDAZHCMXJHEY-CYBMUJFWSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152666498 525988239 /nfs/dbraw/zinc/98/82/39/525988239.db2.gz XHOYHIARSGKWEU-CHWSQXEVSA-N 1 0 337.445 2.581 10 5 EFBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154656202 526025802 /nfs/dbraw/zinc/02/58/02/526025802.db2.gz NIZHOWNXOMLXDV-FMEYXAORSA-N 1 0 342.395 2.952 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605003 526079443 /nfs/dbraw/zinc/07/94/43/526079443.db2.gz QULMLKZCMQLAPQ-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178510851 526504859 /nfs/dbraw/zinc/50/48/59/526504859.db2.gz DCFNJIWEJDMFFY-CYBMUJFWSA-N 1 0 336.388 2.637 10 5 EFBERO [NH3+]CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000036813381 527181250 /nfs/dbraw/zinc/18/12/50/527181250.db2.gz BAXKKIGOUIAFNC-UHFFFAOYSA-N 1 0 325.166 2.666 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)co2)cc1 ZINC000179177171 527342264 /nfs/dbraw/zinc/34/22/64/527342264.db2.gz RZCNSGBWQKTPDG-UHFFFAOYSA-N 1 0 342.399 2.920 10 5 EFBERO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194502569 527351427 /nfs/dbraw/zinc/35/14/27/527351427.db2.gz PUHLAAWCKHTJET-UHFFFAOYSA-N 1 0 348.403 3.000 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000245734910 527383740 /nfs/dbraw/zinc/38/37/40/527383740.db2.gz KNOHBPINDUEGHA-INIZCTEOSA-N 1 0 344.440 2.998 10 5 EFBERO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000262141885 527519638 /nfs/dbraw/zinc/51/96/38/527519638.db2.gz XYQWWYSVPFRBML-UHFFFAOYSA-N 1 0 332.385 2.771 10 5 EFBERO Cn1nccc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000195504459 527599999 /nfs/dbraw/zinc/59/99/99/527599999.db2.gz HFEZCFUZMJFPIC-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174657567 528658204 /nfs/dbraw/zinc/65/82/04/528658204.db2.gz NGXNCEABRVUTQT-KBXCAEBGSA-N 1 0 346.431 2.702 10 5 EFBERO CCC[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000159708876 528835917 /nfs/dbraw/zinc/83/59/17/528835917.db2.gz PKDDQKZXAPWPQK-AWEZNQCLSA-N 1 0 327.812 2.937 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154569296 529068339 /nfs/dbraw/zinc/06/83/39/529068339.db2.gz RLMBHEMDQHCCAJ-CYBMUJFWSA-N 1 0 342.399 2.699 10 5 EFBERO CC1(C2CC2)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000352176616 535109023 /nfs/dbraw/zinc/10/90/23/535109023.db2.gz RNMIHBPEKINXSO-HNNXBMFYSA-N 1 0 334.416 2.847 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000345915366 535703233 /nfs/dbraw/zinc/70/32/33/535703233.db2.gz YGDMQFUZBSEHQA-CHWSQXEVSA-N 1 0 335.404 2.548 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000345915369 535703641 /nfs/dbraw/zinc/70/36/41/535703641.db2.gz YGDMQFUZBSEHQA-STQMWFEESA-N 1 0 335.404 2.548 10 5 EFBERO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352058722 535956355 /nfs/dbraw/zinc/95/63/55/535956355.db2.gz FYCDTKWXFSJVHK-INIZCTEOSA-N 1 0 331.416 2.568 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000360084123 535990768 /nfs/dbraw/zinc/99/07/68/535990768.db2.gz IPAXOUZYOONCFH-UHFFFAOYSA-N 1 0 331.347 2.726 10 5 EFBERO COc1cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433057282 536747611 /nfs/dbraw/zinc/74/76/11/536747611.db2.gz GJOPYQPXCZQTSS-MRXNPFEDSA-N 1 0 330.384 2.639 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000351977726 536752407 /nfs/dbraw/zinc/75/24/07/536752407.db2.gz JZQWUMHPWVIXRV-CYBMUJFWSA-N 1 0 332.360 2.674 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000412054600 536757330 /nfs/dbraw/zinc/75/73/30/536757330.db2.gz IXMYQUXLHRKQFG-HNNXBMFYSA-N 1 0 347.415 2.580 10 5 EFBERO COc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000341265213 536892109 /nfs/dbraw/zinc/89/21/09/536892109.db2.gz HJMQRTLMHIRDHM-UHFFFAOYSA-N 1 0 326.356 2.812 10 5 EFBERO CNC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761520660 576174170 /nfs/dbraw/zinc/17/41/70/576174170.db2.gz DDDNWTHAMMEKDU-UHFFFAOYSA-N 1 0 325.796 2.643 10 5 EFBERO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432514 575435659 /nfs/dbraw/zinc/43/56/59/575435659.db2.gz ZGZPKRUHDIWMBD-CVEARBPZSA-N 1 0 332.404 2.719 10 5 EFBERO CCC[NH+]1CCC(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754882032 575508945 /nfs/dbraw/zinc/50/89/45/575508945.db2.gz HJMLAWHMYICMPF-YPKPFQOOSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000755308792 575572810 /nfs/dbraw/zinc/57/28/10/575572810.db2.gz ASRVQPLMUBNLML-QAAVPBIRSA-N 1 0 329.400 2.551 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993385 575808629 /nfs/dbraw/zinc/80/86/29/575808629.db2.gz SMPKKFOIBVVRPS-AWEZNQCLSA-N 1 0 325.796 2.739 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993386 575808700 /nfs/dbraw/zinc/80/87/00/575808700.db2.gz SMPKKFOIBVVRPS-CQSZACIVSA-N 1 0 325.796 2.739 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH+](C)C)CC1 ZINC000757704003 575850912 /nfs/dbraw/zinc/85/09/12/575850912.db2.gz RZVPEYOYLRTSLO-UHFFFAOYSA-N 1 0 341.795 2.565 10 5 EFBERO CN(C)c1cc[nH+]cc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000759928250 575957165 /nfs/dbraw/zinc/95/71/65/575957165.db2.gz LIZRMFQTJWXYAH-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000764466765 576461071 /nfs/dbraw/zinc/46/10/71/576461071.db2.gz QTAZDZDUAPMSCM-FZMZJTMJSA-N 1 0 337.807 2.739 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691436606 1248919778 /nfs/dbraw/zinc/91/97/78/1248919778.db2.gz CXZBGFQPYIHPFB-SKZVUCBASA-N 1 0 337.445 2.997 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691497532 1249703706 /nfs/dbraw/zinc/70/37/06/1249703706.db2.gz CXZBGFQPYIHPFB-HRCCNRFSSA-N 1 0 337.445 2.997 10 5 EFBERO C[C@@H]1Cc2cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000922308056 1265435043 /nfs/dbraw/zinc/43/50/43/1265435043.db2.gz VHHVIRHQDPBDGF-BFUOFWGJSA-N 1 0 342.395 2.916 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)c2ccccc2)n1 ZINC001125500288 1248239086 /nfs/dbraw/zinc/23/90/86/1248239086.db2.gz VFJLCQXPIXEWOH-UHFFFAOYSA-N 1 0 328.372 2.507 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691090439 1248391952 /nfs/dbraw/zinc/39/19/52/1248391952.db2.gz OEZAENAWEVDCJA-IYBDPMFKSA-N 1 0 329.400 2.690 10 5 EFBERO CCC[N@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001691188953 1248519286 /nfs/dbraw/zinc/51/92/86/1248519286.db2.gz KRPXZELOAYDNKE-FVQHAEBGSA-N 1 0 345.443 2.969 10 5 EFBERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000850345095 1250442657 /nfs/dbraw/zinc/44/26/57/1250442657.db2.gz JGWLWEORCJCLHB-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850485709 1250503185 /nfs/dbraw/zinc/50/31/85/1250503185.db2.gz MVDRTRJEPZSZEW-QMMMGPOBSA-N 1 0 341.293 2.837 10 5 EFBERO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850533455 1250525318 /nfs/dbraw/zinc/52/53/18/1250525318.db2.gz ZBXWQXMCLHRPMB-FZZIBODNSA-N 1 0 327.331 2.642 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C ZINC000850571877 1250542333 /nfs/dbraw/zinc/54/23/33/1250542333.db2.gz DINPGQJCWIZVFA-CYBMUJFWSA-N 1 0 329.404 2.648 10 5 EFBERO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000851715492 1251217448 /nfs/dbraw/zinc/21/74/48/1251217448.db2.gz WJYXBQIWZXBTGE-CQSZACIVSA-N 1 0 346.320 2.611 10 5 EFBERO CC(C)n1cccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001691606192 1251818309 /nfs/dbraw/zinc/81/83/09/1251818309.db2.gz VCZIZVBJJWKPPP-UHFFFAOYSA-N 1 0 344.415 2.839 10 5 EFBERO C[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1ccc([N+](=O)[O-])cc1 ZINC000922542798 1266235163 /nfs/dbraw/zinc/23/51/63/1266235163.db2.gz YRCONFRJBSIYAM-LLVKDONJSA-N 1 0 332.429 2.968 10 5 EFBERO C[C@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000922557332 1266253572 /nfs/dbraw/zinc/25/35/72/1266253572.db2.gz OEHUDWNIUGSRKS-XHDPSFHLSA-N 1 0 332.429 2.901 10 5 EFBERO Cn1nc2c(c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)COCC2 ZINC000921779264 1261398455 /nfs/dbraw/zinc/39/84/55/1261398455.db2.gz GDHVSRFAWGDNRZ-UHFFFAOYSA-N 1 0 344.415 2.514 10 5 EFBERO [NH3+]CC[C@H]1Cc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923546529 1261884162 /nfs/dbraw/zinc/88/41/62/1261884162.db2.gz VRGAYJPANLHVCS-IFXJQAMLSA-N 1 0 341.411 2.656 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000824655848 1278222449 /nfs/dbraw/zinc/22/24/49/1278222449.db2.gz ZZFJNYFVYNJYOM-XJKCOSOUSA-N 1 0 340.807 2.610 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)o1 ZINC001273256891 1265014052 /nfs/dbraw/zinc/01/40/52/1265014052.db2.gz XZQWOSPQBNZDED-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCOc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000823366337 1265317754 /nfs/dbraw/zinc/31/77/54/1265317754.db2.gz HMIYBPCQLKBHDC-RYUDHWBXSA-N 1 0 336.392 2.550 10 5 EFBERO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922291947 1265358241 /nfs/dbraw/zinc/35/82/41/1265358241.db2.gz OCOZDOCTAGCMRB-BZOOQXSSSA-N 1 0 346.431 2.972 10 5 EFBERO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922768065 1266758042 /nfs/dbraw/zinc/75/80/42/1266758042.db2.gz AUZQHXODVKCJEP-CYBMUJFWSA-N 1 0 346.431 2.972 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000743540041 1270640965 /nfs/dbraw/zinc/64/09/65/1270640965.db2.gz ILKYFADUQUIOGR-UHFFFAOYSA-N 1 0 348.447 2.679 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844282976 1278861966 /nfs/dbraw/zinc/86/19/66/1278861966.db2.gz YDBZQFLAZCSPAP-MRXNPFEDSA-N 1 0 333.388 2.788 10 5 EFBERO O=C1O[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338536 1278896659 /nfs/dbraw/zinc/89/66/59/1278896659.db2.gz QLUVDNPREBYHNY-RHSMWYFYSA-N 1 0 345.399 2.757 10 5 EFBERO O=C1O[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338538 1278896808 /nfs/dbraw/zinc/89/68/08/1278896808.db2.gz QLUVDNPREBYHNY-WMLDXEAASA-N 1 0 345.399 2.757 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378605 1278955353 /nfs/dbraw/zinc/95/53/53/1278955353.db2.gz LKHSBQYLSSYSBP-ZWNOBZJWSA-N 1 0 343.811 2.573 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788469552 1276188205 /nfs/dbraw/zinc/18/82/05/1276188205.db2.gz GASDLDCVYOWRBK-WBMJQRKESA-N 1 0 330.388 2.825 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000788816729 1276335604 /nfs/dbraw/zinc/33/56/04/1276335604.db2.gz RGVXQDXCZRGTFG-GOSISDBHSA-N 1 0 333.432 2.658 10 5 EFBERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817959971 1276401381 /nfs/dbraw/zinc/40/13/81/1276401381.db2.gz JIAJDCJPTMIFLT-CYBMUJFWSA-N 1 0 325.796 2.643 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000923028300 1276565204 /nfs/dbraw/zinc/56/52/04/1276565204.db2.gz WJEVACFHRBAHRM-OAHLLOKOSA-N 1 0 334.372 2.653 10 5 EFBERO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000819045759 1276579417 /nfs/dbraw/zinc/57/94/17/1276579417.db2.gz IVMJFSNLYHLNTA-KRWDZBQOSA-N 1 0 334.347 2.744 10 5 EFBERO Cc1noc(C2CCC([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000819141629 1276627802 /nfs/dbraw/zinc/62/78/02/1276627802.db2.gz KEPORKKIRROKHD-PXCJXSSVSA-N 1 0 346.387 2.636 10 5 EFBERO Cc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000819257773 1276687580 /nfs/dbraw/zinc/68/75/80/1276687580.db2.gz XSZJURSFGBTTLF-KRWDZBQOSA-N 1 0 330.384 2.783 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000819216366 1276693683 /nfs/dbraw/zinc/69/36/83/1276693683.db2.gz FOFDLDZAIQAPMV-HNNXBMFYSA-N 1 0 340.301 2.878 10 5 EFBERO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819261478 1276717021 /nfs/dbraw/zinc/71/70/21/1276717021.db2.gz KQLCHPMJKXTAJR-YJBOKZPZSA-N 1 0 344.415 2.553 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000819354247 1276740038 /nfs/dbraw/zinc/74/00/38/1276740038.db2.gz FYJLVMDZAFLSSD-UXUKBGGZSA-N 1 0 330.331 2.768 10 5 EFBERO O=[N+]([O-])c1ccc(C2(c3nc([C@@H]4CCC[NH2+]C4)no3)CCC2)cc1 ZINC000871787893 1287289625 /nfs/dbraw/zinc/28/96/25/1287289625.db2.gz GNSKYNQBVITEFJ-GFCCVEGCSA-N 1 0 328.372 2.915 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000844655510 1279139962 /nfs/dbraw/zinc/13/99/62/1279139962.db2.gz FGIJSCNPHUNJNA-UHFFFAOYSA-N 1 0 329.347 2.581 10 5 EFBERO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)c1 ZINC000844915555 1279336548 /nfs/dbraw/zinc/33/65/48/1279336548.db2.gz GGKAUFOIPAXXBC-ZIAGYGMSSA-N 1 0 344.371 2.780 10 5 EFBERO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182123 1280060670 /nfs/dbraw/zinc/06/06/70/1280060670.db2.gz VJIRIERIPXRUBA-ORAYPTAESA-N 1 0 341.411 2.704 10 5 EFBERO CC(C)[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000872017718 1287400538 /nfs/dbraw/zinc/40/05/38/1287400538.db2.gz FBSBCAOCVXCGQQ-BBRMVZONSA-N 1 0 339.411 2.741 10 5 EFBERO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038233 1287408314 /nfs/dbraw/zinc/40/83/14/1287408314.db2.gz LWAGAKXPOCTEBS-STQMWFEESA-N 1 0 326.368 2.828 10 5 EFBERO COc1cc(C(=O)Nc2ccn3ccnc3c2)c([N+](=O)[O-])cc1F ZINC001129594559 1280280203 /nfs/dbraw/zinc/28/02/03/1280280203.db2.gz SKOMNMARHWKBMJ-UHFFFAOYSA-N 1 0 330.275 2.643 10 5 EFBERO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048604 1287411969 /nfs/dbraw/zinc/41/19/69/1287411969.db2.gz KFKLBCUNMPWULF-SRVKXCTJSA-N 1 0 344.408 2.740 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001129667807 1280296492 /nfs/dbraw/zinc/29/64/92/1280296492.db2.gz JSWJKDIPABPYLC-UHFFFAOYSA-N 1 0 328.303 2.620 10 5 EFBERO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065565 1287417327 /nfs/dbraw/zinc/41/73/27/1287417327.db2.gz DNRUMIXCJJTFDS-ZIAGYGMSSA-N 1 0 339.411 2.885 10 5 EFBERO COCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872073032 1287420498 /nfs/dbraw/zinc/42/04/98/1287420498.db2.gz LRNXZONVWCYFOM-LBPRGKRZSA-N 1 0 326.368 2.828 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872086004 1287424670 /nfs/dbraw/zinc/42/46/70/1287424670.db2.gz SUMULKAKMHQNDC-RMRHIDDWSA-N 1 0 340.395 2.951 10 5 EFBERO COC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872085898 1287424807 /nfs/dbraw/zinc/42/48/07/1287424807.db2.gz RUFNLQXZIDYYNL-FZMZJTMJSA-N 1 0 326.368 2.826 10 5 EFBERO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089020 1287425720 /nfs/dbraw/zinc/42/57/20/1287425720.db2.gz SLVMPYDTAHWCIB-SJKOYZFVSA-N 1 0 340.395 2.952 10 5 EFBERO O=C1OCC[C@H]1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872112472 1287432456 /nfs/dbraw/zinc/43/24/56/1287432456.db2.gz BXJPBOHCUVUINB-ZBFHGGJFSA-N 1 0 332.400 2.849 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000872118368 1287433888 /nfs/dbraw/zinc/43/38/88/1287433888.db2.gz YLUCHERIMYKQTL-STQMWFEESA-N 1 0 336.388 2.987 10 5 EFBERO Cc1ccnc([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000846972658 1280640217 /nfs/dbraw/zinc/64/02/17/1280640217.db2.gz XLZHWWSTGZSPNT-QAPCUYQASA-N 1 0 327.384 2.821 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC000872147526 1287444328 /nfs/dbraw/zinc/44/43/28/1287444328.db2.gz BVIUGODFLAAQNL-MWLCHTKSSA-N 1 0 337.729 2.817 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(F)(F)F ZINC000872147527 1287444595 /nfs/dbraw/zinc/44/45/95/1287444595.db2.gz BVIUGODFLAAQNL-ONGXEEELSA-N 1 0 337.729 2.817 10 5 EFBERO O=[N+]([O-])c1ccc(C2(c3nc(C4CC[NH2+]CC4)no3)CCC2)cc1 ZINC000872171875 1287460165 /nfs/dbraw/zinc/46/01/65/1287460165.db2.gz VMIBHVDMRHNEAW-UHFFFAOYSA-N 1 0 328.372 2.915 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000872223901 1287485926 /nfs/dbraw/zinc/48/59/26/1287485926.db2.gz OXKYWEJQYJQRNV-IRXDYDNUSA-N 1 0 334.416 2.957 10 5 EFBERO O=C(CC[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000872230906 1287487680 /nfs/dbraw/zinc/48/76/80/1287487680.db2.gz LKVJFCABELYIPP-GJZGRUSLSA-N 1 0 347.415 2.576 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCSCCC(F)(F)F)c1 ZINC000872231999 1287488923 /nfs/dbraw/zinc/48/89/23/1287488923.db2.gz WMIFWUUJZWVLCY-LBPRGKRZSA-N 1 0 338.351 2.903 10 5 EFBERO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000872230995 1287489131 /nfs/dbraw/zinc/48/91/31/1287489131.db2.gz CDYFIPGIHJELGT-NSHDSACASA-N 1 0 332.347 2.606 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001175642934 1287499963 /nfs/dbraw/zinc/49/99/63/1287499963.db2.gz GCTDEGGAEVKHJQ-GXTWGEPZSA-N 1 0 343.387 2.551 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2C=CCC2)cc1 ZINC000872248813 1287501091 /nfs/dbraw/zinc/50/10/91/1287501091.db2.gz WSUCULDXLCPJPB-CQSZACIVSA-N 1 0 338.429 2.705 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000808230020 1281598920 /nfs/dbraw/zinc/59/89/20/1281598920.db2.gz FQOCQFMGFSBCIC-OAHLLOKOSA-N 1 0 327.388 2.933 10 5 EFBERO CC[NH+]1CCN(c2cc(N(C)C(=O)C=C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001132058405 1282827502 /nfs/dbraw/zinc/82/75/02/1282827502.db2.gz GFUREOXIVJBFJK-UHFFFAOYSA-N 1 0 346.431 2.666 10 5 EFBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601194 1287625702 /nfs/dbraw/zinc/62/57/02/1287625702.db2.gz PWJDYPVACZMJJJ-LLVKDONJSA-N 1 0 331.420 2.811 10 5 EFBERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574498 1287629840 /nfs/dbraw/zinc/62/98/40/1287629840.db2.gz RWACAUIPNPWCJR-LLVKDONJSA-N 1 0 333.392 2.967 10 5 EFBERO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627436 1287646026 /nfs/dbraw/zinc/64/60/26/1287646026.db2.gz APOJCLUUALDCNQ-NSHDSACASA-N 1 0 329.404 2.640 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001176036353 1287667359 /nfs/dbraw/zinc/66/73/59/1287667359.db2.gz KJAWXUZSIMQOBL-JTQLQIEISA-N 1 0 334.763 2.933 10 5 EFBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000811483973 1284343411 /nfs/dbraw/zinc/34/34/11/1284343411.db2.gz NIWGMJVRFZCTII-CQSZACIVSA-N 1 0 349.214 2.780 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000811500747 1284382804 /nfs/dbraw/zinc/38/28/04/1284382804.db2.gz MDTJWRZUYKCIKP-AWEZNQCLSA-N 1 0 341.367 2.766 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000747828702 1285552565 /nfs/dbraw/zinc/55/25/65/1285552565.db2.gz HPGFWKCZLQXIGS-GJZGRUSLSA-N 1 0 330.388 2.651 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001133796382 1285965735 /nfs/dbraw/zinc/96/57/35/1285965735.db2.gz YMYDQOBCMVOBJF-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001179398718 1289121901 /nfs/dbraw/zinc/12/19/01/1289121901.db2.gz MDWGXVWXXGOKJV-LSDHHAIUSA-N 1 0 333.432 2.935 10 5 EFBERO Cc1c(NC(=O)CC[NH+]2CCC(O)(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001176920771 1288172791 /nfs/dbraw/zinc/17/27/91/1288172791.db2.gz DRKSADCIHGPIAM-UHFFFAOYSA-N 1 0 349.431 2.715 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001176927496 1288176231 /nfs/dbraw/zinc/17/62/31/1288176231.db2.gz SLENAVGMHCNJHN-IRXDYDNUSA-N 1 0 347.415 2.957 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCOCC34CCCC4)nc2c1 ZINC001176964454 1288197369 /nfs/dbraw/zinc/19/73/69/1288197369.db2.gz BYVXNNUGEZOLDL-HNNXBMFYSA-N 1 0 330.388 2.910 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178856159 1288945053 /nfs/dbraw/zinc/94/50/53/1288945053.db2.gz IBLDITRAIZHGOV-ZDUSSCGKSA-N 1 0 325.796 2.708 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)o1 ZINC001136811498 1289516497 /nfs/dbraw/zinc/51/64/97/1289516497.db2.gz IBXKQUYKOGGTON-UHFFFAOYSA-N 1 0 329.356 2.714 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000824086750 1289537259 /nfs/dbraw/zinc/53/72/59/1289537259.db2.gz OJFOXRDBRROJAH-QWHCGFSZSA-N 1 0 325.796 2.707 10 5 EFBERO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(F)F ZINC000824637222 1289733536 /nfs/dbraw/zinc/73/35/36/1289733536.db2.gz WXEPECBVZPVNLH-CABCVRRESA-N 1 0 343.374 2.558 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001181968793 1290042046 /nfs/dbraw/zinc/04/20/46/1290042046.db2.gz OGNMHDNOKLQKLG-UHFFFAOYSA-N 1 0 342.399 2.942 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCCC1 ZINC001184650543 1290487453 /nfs/dbraw/zinc/48/74/53/1290487453.db2.gz HFXJAUBTPFLUIM-UHFFFAOYSA-N 1 0 341.795 2.933 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001186872770 1291030791 /nfs/dbraw/zinc/03/07/91/1291030791.db2.gz PVGRITZCFMROHG-HZPDHXFCSA-N 1 0 326.400 2.994 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)CN1CCOCC1 ZINC001190527910 1292200501 /nfs/dbraw/zinc/20/05/01/1292200501.db2.gz IXQNRYCKBFWKHK-INIZCTEOSA-N 1 0 335.448 2.774 10 5 EFBERO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000880183162 1292409476 /nfs/dbraw/zinc/40/94/76/1292409476.db2.gz AOXYMUVMSMJZMM-WBVHZDCISA-N 1 0 334.372 2.521 10 5 EFBERO CCCn1nccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001192626842 1292963328 /nfs/dbraw/zinc/96/33/28/1292963328.db2.gz QOBYZRQTVXPASB-CYBMUJFWSA-N 1 0 345.403 2.799 10 5 EFBERO CCc1ccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882505639 1293230299 /nfs/dbraw/zinc/23/02/99/1293230299.db2.gz NMYUFGOAVKIPQA-UHFFFAOYSA-N 1 0 331.416 2.858 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nnc(N)o2)CC1 ZINC001195719164 1294010884 /nfs/dbraw/zinc/01/08/84/1294010884.db2.gz CNOPHLNQYLKOTM-NSHDSACASA-N 1 0 331.376 2.809 10 5 EFBERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197646776 1294643346 /nfs/dbraw/zinc/64/33/46/1294643346.db2.gz JYKATJCDKJLOIZ-GFCCVEGCSA-N 1 0 329.356 2.893 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886238590 1294782022 /nfs/dbraw/zinc/78/20/22/1294782022.db2.gz CYNOBNKFZRRMKU-QGZVFWFLSA-N 1 0 348.374 2.826 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)O2 ZINC000886341101 1294875127 /nfs/dbraw/zinc/87/51/27/1294875127.db2.gz PRISUAXYUPZDIQ-NDPMZMCLSA-N 1 0 326.418 2.719 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198704979 1295217997 /nfs/dbraw/zinc/21/79/97/1295217997.db2.gz FSIDZGYXICUHJD-MRXNPFEDSA-N 1 0 330.388 2.563 10 5 EFBERO CC(C)(C)n1cncc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789908 1295232214 /nfs/dbraw/zinc/23/22/14/1295232214.db2.gz APCDBTQBBDGNNA-AWEZNQCLSA-N 1 0 346.435 2.622 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000803857499 1313260716 /nfs/dbraw/zinc/26/07/16/1313260716.db2.gz XFLHSRYTNSYZTF-AWEZNQCLSA-N 1 0 334.372 2.585 10 5 EFBERO COc1cc(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000803859472 1313265081 /nfs/dbraw/zinc/26/50/81/1313265081.db2.gz PVUOVRMCGZSCDT-AWEZNQCLSA-N 1 0 336.388 2.911 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CC2)C1 ZINC001276220857 1296661315 /nfs/dbraw/zinc/66/13/15/1296661315.db2.gz IOFZUDAMQMXUJT-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927110908 1296992068 /nfs/dbraw/zinc/99/20/68/1296992068.db2.gz WDTKBRNVGICMER-PBHICJAKSA-N 1 0 333.432 2.807 10 5 EFBERO C[C@](CO)([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000931468789 1297340283 /nfs/dbraw/zinc/34/02/83/1297340283.db2.gz FIZXPHXDZNQNST-AQNFWKISSA-N 1 0 326.343 2.683 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000931626077 1297358737 /nfs/dbraw/zinc/35/87/37/1297358737.db2.gz NOYDXSHQIVWBEN-YGRLFVJLSA-N 1 0 338.795 2.724 10 5 EFBERO CC[N@H+](CCCNC(=O)c1[nH]ccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490326004 1298773108 /nfs/dbraw/zinc/77/31/08/1298773108.db2.gz QIROWOTUBQRKCF-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO Cc1ccccc1[C@H](O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000796410532 1299442934 /nfs/dbraw/zinc/44/29/34/1299442934.db2.gz XQPLJDKSZASWLG-GOSISDBHSA-N 1 0 344.415 2.545 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@H](c3cccs3)C2)cc1 ZINC000776585986 1299648570 /nfs/dbraw/zinc/64/85/70/1299648570.db2.gz GLRXHNBAJWTKDF-CABCVRRESA-N 1 0 334.397 2.763 10 5 EFBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585842 1299652922 /nfs/dbraw/zinc/65/29/22/1299652922.db2.gz ANCNKVZUMVKQRG-ACJLOTCBSA-N 1 0 330.384 2.897 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000852561618 1299757853 /nfs/dbraw/zinc/75/78/53/1299757853.db2.gz QOFGCRVXXCTLEA-GOEBONIOSA-N 1 0 332.379 2.968 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001490873688 1300053645 /nfs/dbraw/zinc/05/36/45/1300053645.db2.gz OUVPKQNPPMNGFV-NICVJUJWSA-N 1 0 329.400 2.688 10 5 EFBERO C[N@H+](C[C@@H]1CC1(C)C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853627861 1300199807 /nfs/dbraw/zinc/19/98/07/1300199807.db2.gz IBAJISBOHILWIS-GOEBONIOSA-N 1 0 331.416 2.846 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000853906711 1300333888 /nfs/dbraw/zinc/33/38/88/1300333888.db2.gz ORLYGSKOOSQMGP-DYLGSBMWSA-N 1 0 333.388 2.677 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853965271 1300366262 /nfs/dbraw/zinc/36/62/62/1300366262.db2.gz GFBSECPHUIUIIP-AWEZNQCLSA-N 1 0 339.823 2.592 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000853990310 1300379094 /nfs/dbraw/zinc/37/90/94/1300379094.db2.gz LHLUYWCPORRKCN-ZDUSSCGKSA-N 1 0 327.812 2.795 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)s1 ZINC000854149959 1300448377 /nfs/dbraw/zinc/44/83/77/1300448377.db2.gz AQKVQYHBKMOQNO-UHFFFAOYSA-N 1 0 347.356 2.828 10 5 EFBERO Cc1cc(F)cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000854498203 1300592625 /nfs/dbraw/zinc/59/26/25/1300592625.db2.gz NVXCUYHTVLHQLU-UHFFFAOYSA-N 1 0 335.379 2.600 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000854498193 1300592729 /nfs/dbraw/zinc/59/27/29/1300592729.db2.gz NMHNLDWAHLYLDK-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286363 1300889072 /nfs/dbraw/zinc/88/90/72/1300889072.db2.gz PQCUGHOYIDNTJR-HVCHUGMYSA-N 1 0 331.416 2.987 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000855490627 1300978938 /nfs/dbraw/zinc/97/89/38/1300978938.db2.gz NCJJZQAKGLZTOB-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859284794 1301418877 /nfs/dbraw/zinc/41/88/77/1301418877.db2.gz PSCDHBCTRVFUCH-OAHLLOKOSA-N 1 0 339.395 2.962 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824658 1301589726 /nfs/dbraw/zinc/58/97/26/1301589726.db2.gz CMQYCJSIUYHJNB-DRNSDYETSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826013 1301589939 /nfs/dbraw/zinc/58/99/39/1301589939.db2.gz UHOXXMCAQVKDES-DRNSDYETSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010670 1301672999 /nfs/dbraw/zinc/67/29/99/1301672999.db2.gz GUENBNGMTAAALA-KZULUSFZSA-N 1 0 339.395 2.961 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347203 1302093396 /nfs/dbraw/zinc/09/33/96/1302093396.db2.gz HHOORPMJJAUPSM-QOEWNVPUSA-N 1 0 348.399 2.651 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)OCC12CCC[NH+](CCC1)C2 ZINC000861359603 1302104256 /nfs/dbraw/zinc/10/42/56/1302104256.db2.gz OLJYHHGKKRTVAL-UHFFFAOYSA-N 1 0 332.400 2.947 10 5 EFBERO Cc1cccc2c1C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CO2 ZINC000863568488 1302653354 /nfs/dbraw/zinc/65/33/54/1302653354.db2.gz MWTBBYNPRRPYAZ-YOEHRIQHSA-N 1 0 328.368 2.530 10 5 EFBERO Cc1cccc2c1C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CO2 ZINC000863568485 1302654104 /nfs/dbraw/zinc/65/41/04/1302654104.db2.gz MWTBBYNPRRPYAZ-WMLDXEAASA-N 1 0 328.368 2.530 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000865587212 1303322392 /nfs/dbraw/zinc/32/23/92/1303322392.db2.gz LZJZTOXHYJWSJK-RKDXNWHRSA-N 1 0 335.330 2.632 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865655521 1303354106 /nfs/dbraw/zinc/35/41/06/1303354106.db2.gz HXXCMDFONRSLBF-HNNXBMFYSA-N 1 0 335.448 2.653 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1O ZINC000865805890 1303410345 /nfs/dbraw/zinc/41/03/45/1303410345.db2.gz CSPBHPYEQLTSOO-MRXNPFEDSA-N 1 0 343.383 2.585 10 5 EFBERO C[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000866016946 1303489953 /nfs/dbraw/zinc/48/99/53/1303489953.db2.gz YYVISSSBAZVMAT-UHFFFAOYSA-N 1 0 342.399 2.771 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cn1)Cc1ccccc12 ZINC000866016764 1303490185 /nfs/dbraw/zinc/49/01/85/1303490185.db2.gz UZTGIDGQICFASP-UHFFFAOYSA-N 1 0 338.411 2.973 10 5 EFBERO CCC1([NH+](C)C)CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000866061430 1303507820 /nfs/dbraw/zinc/50/78/20/1303507820.db2.gz RRQUPPLMTFSZDT-UHFFFAOYSA-N 1 0 349.431 2.621 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@@H+]3C3CCCCCC3)nn21 ZINC000866192332 1303556808 /nfs/dbraw/zinc/55/68/08/1303556808.db2.gz IYBHEIVNYXCSGP-AWEZNQCLSA-N 1 0 344.419 2.847 10 5 EFBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000866233178 1303573477 /nfs/dbraw/zinc/57/34/77/1303573477.db2.gz SCPBJBPJJBXGKZ-LBPRGKRZSA-N 1 0 332.379 2.916 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccnn1C ZINC000866612411 1303710947 /nfs/dbraw/zinc/71/09/47/1303710947.db2.gz IFRHVDFGCGCAEJ-CYBMUJFWSA-N 1 0 329.404 2.648 10 5 EFBERO C[C@]([NH3+])(C(=O)NCCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867942857 1304031453 /nfs/dbraw/zinc/03/14/53/1304031453.db2.gz HEGCIZQZFZAEFA-GOSISDBHSA-N 1 0 345.374 2.657 10 5 EFBERO C[C@@H](Cc1ccccc1F)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943794 1304031703 /nfs/dbraw/zinc/03/17/03/1304031703.db2.gz GMJGCLFZLHCTAI-SGTLLEGYSA-N 1 0 345.374 2.655 10 5 EFBERO C[C@@]([NH3+])(C(=O)NCCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867942858 1304031788 /nfs/dbraw/zinc/03/17/88/1304031788.db2.gz HEGCIZQZFZAEFA-SFHVURJKSA-N 1 0 345.374 2.657 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000868069107 1304107904 /nfs/dbraw/zinc/10/79/04/1304107904.db2.gz HRRGKQYZCBTZFA-UHFFFAOYSA-N 1 0 346.431 2.577 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000868430387 1304293050 /nfs/dbraw/zinc/29/30/50/1304293050.db2.gz PJFWTILBSDYQNU-CABCVRRESA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000868544439 1304348197 /nfs/dbraw/zinc/34/81/97/1304348197.db2.gz DUTBDYHDOGLPDI-MRXNPFEDSA-N 1 0 346.431 2.719 10 5 EFBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000869396930 1304758766 /nfs/dbraw/zinc/75/87/66/1304758766.db2.gz CNFSDNKPMBQUSY-HNNXBMFYSA-N 1 0 349.406 2.800 10 5 EFBERO C[C@@H]1[C@H](COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000870452704 1305328068 /nfs/dbraw/zinc/32/80/68/1305328068.db2.gz XZTFJTZFBMVTNA-KGLIPLIRSA-N 1 0 332.400 2.900 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000870573091 1305406169 /nfs/dbraw/zinc/40/61/69/1305406169.db2.gz FUJWOSIIRLLFGP-UHFFFAOYSA-N 1 0 337.395 2.609 10 5 EFBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000748820081 1314137292 /nfs/dbraw/zinc/13/72/92/1314137292.db2.gz BJTPSHFBTBKAAW-GFCCVEGCSA-N 1 0 349.412 2.817 10 5 EFBERO O=C(CCc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001490883076 1308668429 /nfs/dbraw/zinc/66/84/29/1308668429.db2.gz UYSPWEIYWTYOPP-HDJSIYSDSA-N 1 0 349.412 2.619 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901017059 1309202200 /nfs/dbraw/zinc/20/22/00/1309202200.db2.gz PQKPFYWIUAPALB-WFASDCNBSA-N 1 0 337.807 2.881 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1-c1cc(C[C@H]3CCC[NH2+]C3)on1)OCO2 ZINC000901398751 1310343206 /nfs/dbraw/zinc/34/32/06/1310343206.db2.gz YDJRADUIXIFOHO-SNVBAGLBSA-N 1 0 331.328 2.521 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000749441695 1311029315 /nfs/dbraw/zinc/02/93/15/1311029315.db2.gz GZKIGGOFHHDTJI-SOIVGHGOSA-N 1 0 347.415 2.925 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000749441696 1311029365 /nfs/dbraw/zinc/02/93/65/1311029365.db2.gz GZKIGGOFHHDTJI-VIHMKRCTSA-N 1 0 347.415 2.925 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751672719 1311130846 /nfs/dbraw/zinc/13/08/46/1311130846.db2.gz IFPWAJBXRZKLEY-BAAYTWLHSA-N 1 0 331.416 2.845 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802140931 1311388967 /nfs/dbraw/zinc/38/89/67/1311388967.db2.gz OCKFMTZSXONNPK-QXSWTLKVSA-N 1 0 348.399 2.651 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001159143246 1311459732 /nfs/dbraw/zinc/45/97/32/1311459732.db2.gz YQPJWEZHDHOLPQ-RDJZCZTQSA-N 1 0 346.431 2.633 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCC[NH+]1CCCCC1 ZINC001162015907 1312030146 /nfs/dbraw/zinc/03/01/46/1312030146.db2.gz WKIODBSLGORINP-UHFFFAOYSA-N 1 0 332.379 2.992 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[NH+]1CCCCCC1 ZINC001162119820 1312051322 /nfs/dbraw/zinc/05/13/22/1312051322.db2.gz HAVSTWVECLOREA-UHFFFAOYSA-N 1 0 332.379 2.992 10 5 EFBERO CC[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+]1CCCC1 ZINC001162131930 1312053059 /nfs/dbraw/zinc/05/30/59/1312053059.db2.gz BSONQWYCCJPKHT-AWEZNQCLSA-N 1 0 346.431 2.773 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC000902806853 1312123538 /nfs/dbraw/zinc/12/35/38/1312123538.db2.gz PKHOVBSIORJASN-IYBDPMFKSA-N 1 0 336.367 2.539 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001162658816 1312145476 /nfs/dbraw/zinc/14/54/76/1312145476.db2.gz AUNXIRGGNLZJCW-STQMWFEESA-N 1 0 335.404 2.975 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001163571061 1312340303 /nfs/dbraw/zinc/34/03/03/1312340303.db2.gz FFQFJMZMNIBTOG-CABCVRRESA-N 1 0 332.379 2.845 10 5 EFBERO Nc1cc(CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC001164234663 1312475039 /nfs/dbraw/zinc/47/50/39/1312475039.db2.gz STZOEVQYUNGGRJ-UHFFFAOYSA-N 1 0 331.332 2.915 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001164412963 1312510537 /nfs/dbraw/zinc/51/05/37/1312510537.db2.gz UECSXCQABAVHNL-OAHLLOKOSA-N 1 0 345.374 2.763 10 5 EFBERO NC(=O)CC1CC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000903260259 1312515313 /nfs/dbraw/zinc/51/53/13/1312515313.db2.gz MZVYYRGLJJFFPG-FYAIKVRKSA-N 1 0 331.416 2.550 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CC(N)=O)C1 ZINC000903260289 1312515404 /nfs/dbraw/zinc/51/54/04/1312515404.db2.gz NQZYSWHGJGKLOS-OTTFEQOBSA-N 1 0 337.445 2.709 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000903271029 1312526470 /nfs/dbraw/zinc/52/64/70/1312526470.db2.gz GLMBINPRFWVVSA-UXLLHSPISA-N 1 0 333.457 2.752 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000903271030 1312526640 /nfs/dbraw/zinc/52/66/40/1312526640.db2.gz GLMBINPRFWVVSA-YQQAZPJKSA-N 1 0 333.457 2.752 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000903271031 1312526770 /nfs/dbraw/zinc/52/67/70/1312526770.db2.gz GLMBINPRFWVVSA-ZMSDIMECSA-N 1 0 333.457 2.752 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(OC)CCSC1 ZINC000903314884 1312563399 /nfs/dbraw/zinc/56/33/99/1312563399.db2.gz CUOJVBFKTBNCGV-XHDPSFHLSA-N 1 0 326.418 2.776 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000903349135 1312588568 /nfs/dbraw/zinc/58/85/68/1312588568.db2.gz CRJWWNXUVKQTEX-CQSZACIVSA-N 1 0 334.416 2.876 10 5 EFBERO Cc1ccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001254241755 1315686389 /nfs/dbraw/zinc/68/63/89/1315686389.db2.gz SDHLUCLNYOCGJE-UHFFFAOYSA-N 1 0 339.355 2.550 10 5 EFBERO C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001254952875 1315764153 /nfs/dbraw/zinc/76/41/53/1315764153.db2.gz XPCHZQZLEHOTPG-GFCCVEGCSA-N 1 0 343.387 2.616 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC001261655408 1316423013 /nfs/dbraw/zinc/42/30/13/1316423013.db2.gz VSEGNBKPUNCFPD-WMLDXEAASA-N 1 0 349.406 2.940 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263868054 1316570781 /nfs/dbraw/zinc/57/07/81/1316570781.db2.gz ULGGILPIHXPCKE-IAGOWNOFSA-N 1 0 343.427 2.691 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001264012306 1316580265 /nfs/dbraw/zinc/58/02/65/1316580265.db2.gz LGLCTQZLDIRKCC-LBPRGKRZSA-N 1 0 337.420 2.762 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001264399523 1316612365 /nfs/dbraw/zinc/61/23/65/1316612365.db2.gz CSPREIBYGZITOB-GASCZTMLSA-N 1 0 331.416 2.769 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001264997858 1316683735 /nfs/dbraw/zinc/68/37/35/1316683735.db2.gz WTJOMSCFCQAXRD-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001265096627 1316719561 /nfs/dbraw/zinc/71/95/61/1316719561.db2.gz GTVWWNNNSWLZGG-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CC[N@H+](CCCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001265096559 1316719714 /nfs/dbraw/zinc/71/97/14/1316719714.db2.gz DMCHBGREXJRWSY-UHFFFAOYSA-N 1 0 325.384 2.671 10 5 EFBERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001265245528 1316764332 /nfs/dbraw/zinc/76/43/32/1316764332.db2.gz NUUOIPPJLWFVMZ-HZPDHXFCSA-N 1 0 349.350 2.918 10 5 EFBERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001265245526 1316764559 /nfs/dbraw/zinc/76/45/59/1316764559.db2.gz NUUOIPPJLWFVMZ-CVEARBPZSA-N 1 0 349.350 2.918 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001265940626 1316921955 /nfs/dbraw/zinc/92/19/55/1316921955.db2.gz FPJDVJMLXUXNKX-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC/C(C)=C/C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001279363800 1317245575 /nfs/dbraw/zinc/24/55/75/1317245575.db2.gz WKROBSDBTIXNAK-ULFOHVRDSA-N 1 0 343.427 2.841 10 5 EFBERO CCOCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001318948228 1328748035 /nfs/dbraw/zinc/74/80/35/1328748035.db2.gz PCTOSUGGQMWJCY-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001292096634 1322037177 /nfs/dbraw/zinc/03/71/77/1322037177.db2.gz DXDHDDSWOQTLJU-CHWSQXEVSA-N 1 0 348.447 2.663 10 5 EFBERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001292323647 1322054517 /nfs/dbraw/zinc/05/45/17/1322054517.db2.gz CVFSCUCDNQXIJV-AWEZNQCLSA-N 1 0 334.420 2.683 10 5 EFBERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001293349642 1322235339 /nfs/dbraw/zinc/23/53/39/1322235339.db2.gz DRPVLLLEWURBNP-ZDUSSCGKSA-N 1 0 348.447 2.807 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001296127059 1322856775 /nfs/dbraw/zinc/85/67/75/1322856775.db2.gz MDJJEFUWEZANPO-CYBMUJFWSA-N 1 0 335.404 2.596 10 5 EFBERO C[N@H+](CCNC(=O)CCc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492280269 1324397998 /nfs/dbraw/zinc/39/79/98/1324397998.db2.gz TWIVLCJPGFSFTQ-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)c2c1 ZINC001306923690 1324732152 /nfs/dbraw/zinc/73/21/52/1324732152.db2.gz DZGHXDJPMOWNFE-CYBMUJFWSA-N 1 0 346.431 2.962 10 5 EFBERO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001306931473 1324732855 /nfs/dbraw/zinc/73/28/55/1324732855.db2.gz XKRVRJYBBGXUMN-ZJUUUORDSA-N 1 0 349.357 2.879 10 5 EFBERO COCCC[N@H+](C)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001306982403 1324736462 /nfs/dbraw/zinc/73/64/62/1324736462.db2.gz CVESKQMIIPJNID-UHFFFAOYSA-N 1 0 335.326 2.994 10 5 EFBERO C[NH+]1CCC(n2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)CC1 ZINC001307185119 1324747766 /nfs/dbraw/zinc/74/77/66/1324747766.db2.gz IRPRGADORRVYQC-UHFFFAOYSA-N 1 0 346.347 2.710 10 5 EFBERO CS[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC001307662753 1324775403 /nfs/dbraw/zinc/77/54/03/1324775403.db2.gz WPLUZYGNANQKKA-DLBZAZTESA-N 1 0 335.473 2.915 10 5 EFBERO C[C@H](CO)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC001307685024 1324776536 /nfs/dbraw/zinc/77/65/36/1324776536.db2.gz QGJPUENFPJWNLS-GFCCVEGCSA-N 1 0 346.387 2.770 10 5 EFBERO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC001308028669 1324789892 /nfs/dbraw/zinc/78/98/92/1324789892.db2.gz GAPPUBYZESYEBC-HIFRSBDPSA-N 1 0 346.387 2.940 10 5 EFBERO COC(=O)[C@]12CCC[C@H]1[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001308056333 1324790860 /nfs/dbraw/zinc/79/08/60/1324790860.db2.gz KRXBNNPKWUKXMW-AEFFLSMTSA-N 1 0 348.399 2.781 10 5 EFBERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308067966 1324791625 /nfs/dbraw/zinc/79/16/25/1324791625.db2.gz SPLFIKXURDDYIN-RISCZKNCSA-N 1 0 346.320 2.830 10 5 EFBERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000851908182 1324833135 /nfs/dbraw/zinc/83/31/35/1324833135.db2.gz ZWQOSXGUECHQCD-FZMZJTMJSA-N 1 0 346.320 2.830 10 5 EFBERO C[N@H+](CCCNC(=O)/C=C/c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316817857 1325073075 /nfs/dbraw/zinc/07/30/75/1325073075.db2.gz BPVOYLRKHMNNRH-JXMROGBWSA-N 1 0 342.399 2.574 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ncoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316885911 1325265479 /nfs/dbraw/zinc/26/54/79/1325265479.db2.gz NRHQKXPNVOVHFM-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=C(CCCC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001317212731 1327754873 /nfs/dbraw/zinc/75/48/73/1327754873.db2.gz IDHIWOVAYRHOIO-MNZLEMJZSA-N 1 0 343.427 2.722 10 5 EFBERO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001317441678 1328030182 /nfs/dbraw/zinc/03/01/82/1328030182.db2.gz ARDSNPKYSJWFRV-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CC[N@H+](CCNC(=O)c1coc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317475596 1328060705 /nfs/dbraw/zinc/06/07/05/1328060705.db2.gz YZQKPISHKPQHAD-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317540091 1328126251 /nfs/dbraw/zinc/12/62/51/1328126251.db2.gz FOTGNKQMYXIARF-UHFFFAOYSA-N 1 0 330.388 2.565 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317541522 1328126687 /nfs/dbraw/zinc/12/66/87/1328126687.db2.gz XNAYDGYPIUJSBT-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(Cl)c1 ZINC001317639120 1328222781 /nfs/dbraw/zinc/22/27/81/1328222781.db2.gz INXRJPHOTUEPKF-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1=CCCC1 ZINC001326809135 1330367860 /nfs/dbraw/zinc/36/78/60/1330367860.db2.gz JVJCNOJWUSDILB-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001326822647 1330369036 /nfs/dbraw/zinc/36/90/36/1330369036.db2.gz OJASDXXNRIYGBP-IAGOWNOFSA-N 1 0 345.443 2.604 10 5 EFBERO CC(F)(F)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326889121 1330379783 /nfs/dbraw/zinc/37/97/83/1330379783.db2.gz HNANYMKLGYNEJP-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1 ZINC001327187376 1330438538 /nfs/dbraw/zinc/43/85/38/1330438538.db2.gz HJUODLXQVPRAKM-UHFFFAOYSA-N 1 0 331.372 2.782 10 5 EFBERO C[NH+]1CCN(C(C)(C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001329174649 1330677223 /nfs/dbraw/zinc/67/72/23/1330677223.db2.gz XGLFSUYGVCTPOH-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)CC[C@H]21 ZINC001329748436 1330733420 /nfs/dbraw/zinc/73/34/20/1330733420.db2.gz KGFFUJNMDIAPTP-IINYFYTJSA-N 1 0 347.806 2.722 10 5 EFBERO COc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC001331531876 1330849077 /nfs/dbraw/zinc/84/90/77/1330849077.db2.gz IOJOUXITVYRFAC-LBPRGKRZSA-N 1 0 331.372 2.900 10 5 EFBERO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[N@H+](C)C1CC1 ZINC001331865459 1330882346 /nfs/dbraw/zinc/88/23/46/1330882346.db2.gz GINMGHRJLYSTNE-GFCCVEGCSA-N 1 0 327.384 2.961 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001332178140 1330934649 /nfs/dbraw/zinc/93/46/49/1330934649.db2.gz PPJLSMGLMRYOQP-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001333027839 1331068983 /nfs/dbraw/zinc/06/89/83/1331068983.db2.gz AXQMZQDMHGFGRD-TVQRCGJNSA-N 1 0 329.194 2.872 10 5 EFBERO CC(=O)c1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001333825908 1331220794 /nfs/dbraw/zinc/22/07/94/1331220794.db2.gz JNCIJNJQJRFWKX-SOUVJXGZSA-N 1 0 331.416 2.964 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001335690466 1331391588 /nfs/dbraw/zinc/39/15/88/1331391588.db2.gz JCKKBCQTHRYECY-GJZGRUSLSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001335690470 1331391743 /nfs/dbraw/zinc/39/17/43/1331391743.db2.gz JCKKBCQTHRYECY-LSDHHAIUSA-N 1 0 334.420 2.575 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001335770791 1331400383 /nfs/dbraw/zinc/40/03/83/1331400383.db2.gz JHBLBSBWJSPWKC-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001335941979 1331418777 /nfs/dbraw/zinc/41/87/77/1331418777.db2.gz KTRCKGVLAGKJKN-SKDRFNHKSA-N 1 0 329.194 2.872 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337540430 1331583179 /nfs/dbraw/zinc/58/31/79/1331583179.db2.gz GPTQAOQIOJAQPQ-UHFFFAOYSA-N 1 0 347.415 2.535 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC001338203146 1331671828 /nfs/dbraw/zinc/67/18/28/1331671828.db2.gz SRHYAHQSZUZOGY-ZQHYZAEZSA-N 1 0 348.399 2.652 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340992780 1332225416 /nfs/dbraw/zinc/22/54/16/1332225416.db2.gz VZNBBKQVWKYUMA-XYPHTWIQSA-N 1 0 331.416 2.689 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340992777 1332225538 /nfs/dbraw/zinc/22/55/38/1332225538.db2.gz VZNBBKQVWKYUMA-XOKHGSTOSA-N 1 0 331.416 2.689 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001341392952 1332256839 /nfs/dbraw/zinc/25/68/39/1332256839.db2.gz NJSDEHPPNXXSSQ-NEPJUHHUSA-N 1 0 348.325 2.538 10 5 EFBERO C[C@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347531135 1332753271 /nfs/dbraw/zinc/75/32/71/1332753271.db2.gz RCODYDOVASYDLR-CBBWQLFWSA-N 1 0 331.416 2.892 10 5 EFBERO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001347813900 1332775309 /nfs/dbraw/zinc/77/53/09/1332775309.db2.gz OASNNOVJYSXNHL-CQSZACIVSA-N 1 0 331.416 2.613 10 5 EFBERO COc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001347813627 1332775377 /nfs/dbraw/zinc/77/53/77/1332775377.db2.gz LOVFMDDIPXINDI-ZDUSSCGKSA-N 1 0 347.415 2.692 10 5 EFBERO Cc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001348349279 1332827477 /nfs/dbraw/zinc/82/74/77/1332827477.db2.gz OLMBLXVDKFRDQP-CQSZACIVSA-N 1 0 331.416 2.992 10 5 EFBERO Cc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC001348348355 1332827661 /nfs/dbraw/zinc/82/76/61/1332827661.db2.gz CEXIBERDIANDSW-CYBMUJFWSA-N 1 0 346.431 2.574 10 5 EFBERO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001348349864 1332828055 /nfs/dbraw/zinc/82/80/55/1332828055.db2.gz TXPGWRMILMLVHI-CYBMUJFWSA-N 1 0 349.406 2.752 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001348899172 1332882013 /nfs/dbraw/zinc/88/20/13/1332882013.db2.gz HZCRRPUDPRYIAF-UHFFFAOYSA-N 1 0 335.379 2.648 10 5 EFBERO CC(C)(NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc([N+](=O)[O-])cc1 ZINC001350590224 1333100451 /nfs/dbraw/zinc/10/04/51/1333100451.db2.gz UTIVHZUXYKZGNI-GDBMZVCRSA-N 1 0 331.416 2.963 10 5 EFBERO CC(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001352097208 1333385061 /nfs/dbraw/zinc/38/50/61/1333385061.db2.gz BJQWKKNPGPQINK-ARFHVFGLSA-N 1 0 331.416 2.964 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC001354483904 1334325937 /nfs/dbraw/zinc/32/59/37/1334325937.db2.gz GEHCGRLBSAHTLH-KGLIPLIRSA-N 1 0 349.431 2.580 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC001354483914 1334325993 /nfs/dbraw/zinc/32/59/93/1334325993.db2.gz GEHCGRLBSAHTLH-ZIAGYGMSSA-N 1 0 349.431 2.580 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001472867602 1334575274 /nfs/dbraw/zinc/57/52/74/1334575274.db2.gz IYJKFOJPHDBNGF-MRXNPFEDSA-N 1 0 341.367 2.654 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000848369165 1334697665 /nfs/dbraw/zinc/69/76/65/1334697665.db2.gz CMYOILHYICKBQN-WSYSLRRZSA-N 1 0 331.416 2.987 10 5 EFBERO CC[C@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475118 1334734756 /nfs/dbraw/zinc/73/47/56/1334734756.db2.gz LYKNPIFZFDAOLU-YOEHRIQHSA-N 1 0 331.416 2.990 10 5 EFBERO CC(C)[C@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475708 1334735305 /nfs/dbraw/zinc/73/53/05/1334735305.db2.gz STEKXDMPUPUAQV-IAGOWNOFSA-N 1 0 331.416 2.989 10 5 EFBERO CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000848478244 1334735763 /nfs/dbraw/zinc/73/57/63/1334735763.db2.gz IVGQYTXODPAQOY-INIZCTEOSA-N 1 0 341.415 2.584 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+](CC1CC1)CC1CC1 ZINC000848478023 1334735850 /nfs/dbraw/zinc/73/58/50/1334735850.db2.gz ASWILZZZUKTFFY-SFHVURJKSA-N 1 0 343.427 2.990 10 5 EFBERO CCCC[N@H+](CCOC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478085 1334735893 /nfs/dbraw/zinc/73/58/93/1334735893.db2.gz GBDFQPDIJUMKAI-KRWDZBQOSA-N 1 0 349.431 2.617 10 5 EFBERO C[C@@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476973 1334736352 /nfs/dbraw/zinc/73/63/52/1334736352.db2.gz JKZKGGUQJZKGLU-RHSMWYFYSA-N 1 0 331.416 2.990 10 5 EFBERO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C(C1CC1)C1CC1 ZINC000848477245 1334736446 /nfs/dbraw/zinc/73/64/46/1334736446.db2.gz NRJBGYTUTVZTBP-KRWDZBQOSA-N 1 0 343.427 2.989 10 5 EFBERO C[C@@H]([N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1(C)CC1 ZINC000848481404 1334737509 /nfs/dbraw/zinc/73/75/09/1334737509.db2.gz CENYPWFEBDJLSY-CZUORRHYSA-N 1 0 331.416 2.989 10 5 EFBERO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481261 1334738049 /nfs/dbraw/zinc/73/80/49/1334738049.db2.gz XLVJTKUVNPDCRU-LXZKKBNFSA-N 1 0 331.416 2.989 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000848482667 1334740523 /nfs/dbraw/zinc/74/05/23/1334740523.db2.gz SSYGXKHNZDQUDB-RHSMWYFYSA-N 1 0 342.399 2.917 10 5 EFBERO C[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848484808 1334741489 /nfs/dbraw/zinc/74/14/89/1334741489.db2.gz FEPFPWYOEGTKDP-BBRMVZONSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848484811 1334741661 /nfs/dbraw/zinc/74/16/61/1334741661.db2.gz FEPFPWYOEGTKDP-CZUORRHYSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@@H]1CSCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485842 1334742089 /nfs/dbraw/zinc/74/20/89/1334742089.db2.gz YTLWWNNWBFKUKL-BBRMVZONSA-N 1 0 349.456 2.553 10 5 EFBERO C[C@@H]1CCSCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485850 1334742203 /nfs/dbraw/zinc/74/22/03/1334742203.db2.gz YWNIFGQQPUEMAI-CZUORRHYSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@@H]1CCSCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485849 1334742591 /nfs/dbraw/zinc/74/25/91/1334742591.db2.gz YWNIFGQQPUEMAI-CJNGLKHVSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489093 1334745745 /nfs/dbraw/zinc/74/57/45/1334745745.db2.gz PZYBNLSACXAENN-UMPJEAMMSA-N 1 0 331.416 2.845 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000848489166 1334745807 /nfs/dbraw/zinc/74/58/07/1334745807.db2.gz QRLUPJNFBMQGMC-AEFFLSMTSA-N 1 0 343.427 2.990 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000848489465 1334746552 /nfs/dbraw/zinc/74/65/52/1334746552.db2.gz VAGWJOSUFUWLIU-SFHVURJKSA-N 1 0 342.399 2.918 10 5 EFBERO Cn1c(Cl)ncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000848552852 1334791085 /nfs/dbraw/zinc/79/10/85/1334791085.db2.gz OSMUZPVFOYXYLF-UHFFFAOYSA-N 1 0 333.779 2.795 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569310 1334799114 /nfs/dbraw/zinc/79/91/14/1334799114.db2.gz DGBNRUXPLGQHAP-CZUORRHYSA-N 1 0 345.399 2.890 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848570986 1334799285 /nfs/dbraw/zinc/79/92/85/1334799285.db2.gz OEADXHORSJMPMD-BXUZGUMPSA-N 1 0 349.387 2.627 10 5 EFBERO O=C1O[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571655 1334801364 /nfs/dbraw/zinc/80/13/64/1334801364.db2.gz GGDZROASMQVFTP-NVXWUHKLSA-N 1 0 345.399 2.935 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848645650 1334824103 /nfs/dbraw/zinc/82/41/03/1334824103.db2.gz UUCWNETZLWXBNO-AWEZNQCLSA-N 1 0 335.404 2.659 10 5 EFBERO COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535679 1335049944 /nfs/dbraw/zinc/04/99/44/1335049944.db2.gz VKTFWVNCXWYDAH-SJORKVTESA-N 1 0 334.347 2.745 10 5 EFBERO CC1CCN(C(=[NH2+])NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000849079247 1335071213 /nfs/dbraw/zinc/07/12/13/1335071213.db2.gz BUQGJBILJRQYEN-UHFFFAOYSA-N 1 0 329.404 2.875 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C ZINC001358022175 1335355334 /nfs/dbraw/zinc/35/53/34/1335355334.db2.gz JFHZSADDUSZZLL-LSDHHAIUSA-N 1 0 345.443 2.958 10 5 EFBERO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C[NH+](C)C)c1 ZINC001360369082 1335939836 /nfs/dbraw/zinc/93/98/36/1335939836.db2.gz XGNRSEZWHCQUNA-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO CC/C=C(/C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001506875356 1406394146 /nfs/dbraw/zinc/39/41/46/1406394146.db2.gz PXSYDACCRMGWCC-ICFOCBMYSA-N 1 0 331.416 2.936 10 5 EFBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001441480518 1391330669 /nfs/dbraw/zinc/33/06/69/1391330669.db2.gz LGEGCIKSSAGIMB-ZIAGYGMSSA-N 1 0 348.447 2.665 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001448229480 1392037573 /nfs/dbraw/zinc/03/75/73/1392037573.db2.gz LQFKOERLEYLXDS-QGZVFWFLSA-N 1 0 333.432 2.716 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@H]2C1 ZINC001458401500 1395459697 /nfs/dbraw/zinc/45/96/97/1395459697.db2.gz MPMJVQDOSLHCHA-CJNGLKHVSA-N 1 0 342.374 2.936 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1(C)C ZINC001458449834 1395471444 /nfs/dbraw/zinc/47/14/44/1395471444.db2.gz FWRABMUJVOSAPY-MNOVXSKESA-N 1 0 343.225 2.893 10 5 EFBERO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC001458716181 1395561642 /nfs/dbraw/zinc/56/16/42/1395561642.db2.gz HEHZAKYXDNJYLP-CQSZACIVSA-N 1 0 336.754 2.933 10 5 EFBERO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001459863463 1395987762 /nfs/dbraw/zinc/98/77/62/1395987762.db2.gz HMKIWZHSALXGRU-AWEZNQCLSA-N 1 0 333.348 2.749 10 5 EFBERO C[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460128199 1396006657 /nfs/dbraw/zinc/00/66/57/1396006657.db2.gz INHKBKQUGZZIIP-AEFFLSMTSA-N 1 0 347.459 2.743 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001460745485 1396250845 /nfs/dbraw/zinc/25/08/45/1396250845.db2.gz RCNZKGQGWVCHPS-UHFFFAOYSA-N 1 0 330.731 2.826 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001462995959 1396464879 /nfs/dbraw/zinc/46/48/79/1396464879.db2.gz BKTPVEBUYNMYMD-OAHLLOKOSA-N 1 0 348.447 2.586 10 5 EFBERO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001462993462 1396464957 /nfs/dbraw/zinc/46/49/57/1396464957.db2.gz LXYOZSISUGWCFJ-INIZCTEOSA-N 1 0 333.432 2.634 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC001463771972 1396520114 /nfs/dbraw/zinc/52/01/14/1396520114.db2.gz UIRAIEFRNRLTCT-UHFFFAOYSA-N 1 0 337.420 2.842 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001464557437 1396585931 /nfs/dbraw/zinc/58/59/31/1396585931.db2.gz UGOMRSUEGJVLLH-OAHLLOKOSA-N 1 0 346.387 2.704 10 5 EFBERO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)C ZINC001466056644 1396734332 /nfs/dbraw/zinc/73/43/32/1396734332.db2.gz RFYYDMYKJDDNHK-UHFFFAOYSA-N 1 0 327.812 2.842 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC001467531029 1396865776 /nfs/dbraw/zinc/86/57/76/1396865776.db2.gz ANDHXORXGMDYOR-UHFFFAOYSA-N 1 0 349.406 2.990 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001472350302 1397256690 /nfs/dbraw/zinc/25/66/90/1397256690.db2.gz USRKQHWCIQHIMD-MELADBBJSA-N 1 0 349.406 2.845 10 5 EFBERO C[C@]1(CCCO)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473283085 1397293401 /nfs/dbraw/zinc/29/34/01/1397293401.db2.gz XOWBYCONWZZMRS-QGZVFWFLSA-N 1 0 346.387 2.772 10 5 EFBERO CO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001473485532 1397304995 /nfs/dbraw/zinc/30/49/95/1397304995.db2.gz XZKAZDDQQNCERL-STQMWFEESA-N 1 0 332.360 2.548 10 5 EFBERO Cc1cccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473879909 1397342898 /nfs/dbraw/zinc/34/28/98/1397342898.db2.gz ZFRGXRLXFUDEKK-CYBMUJFWSA-N 1 0 328.372 2.978 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479280474 1397664626 /nfs/dbraw/zinc/66/46/26/1397664626.db2.gz HQMPPQJJSJKDDU-GKLWICNWSA-N 1 0 343.427 2.936 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479321311 1397683670 /nfs/dbraw/zinc/68/36/70/1397683670.db2.gz QMINHGHRKLRIPR-BETUJISGSA-N 1 0 341.358 2.625 10 5 EFBERO O=C(CCC(F)F)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479383241 1397709863 /nfs/dbraw/zinc/70/98/63/1397709863.db2.gz HUWPJFKHPGFFKN-JOCQHMNTSA-N 1 0 341.358 2.625 10 5 EFBERO CC(C)[C@H]1CN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001479445821 1397727604 /nfs/dbraw/zinc/72/76/04/1397727604.db2.gz JHACVJNRMAKVED-RHSMWYFYSA-N 1 0 348.447 2.680 10 5 EFBERO CC[N@H+](CCCNC(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001479839528 1397937544 /nfs/dbraw/zinc/93/75/44/1397937544.db2.gz WKFCNMALBFRZPK-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480197416 1398162525 /nfs/dbraw/zinc/16/25/25/1398162525.db2.gz VCIYZFRCHAPTNS-ZMWOBVFASA-N 1 0 331.416 2.934 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1F ZINC001493781127 1398882137 /nfs/dbraw/zinc/88/21/37/1398882137.db2.gz XYFVYKIJELYWOE-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cnco1)Cc1ccccc1[N+](=O)[O-] ZINC001493865676 1398935584 /nfs/dbraw/zinc/93/55/84/1398935584.db2.gz NYROTZHHWUVIKH-UHFFFAOYSA-N 1 0 346.387 2.613 10 5 EFBERO CC(C)OCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001495900402 1400342138 /nfs/dbraw/zinc/34/21/38/1400342138.db2.gz XQTXCLIMNMXTKD-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(F)(F)C1 ZINC001496688350 1400921272 /nfs/dbraw/zinc/92/12/72/1400921272.db2.gz ZEJAWNPTPVAOPC-UHFFFAOYSA-N 1 0 341.358 2.530 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001497344320 1401317483 /nfs/dbraw/zinc/31/74/83/1401317483.db2.gz DQRLHLAUIFYUPW-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccncc1C ZINC001497383130 1401340017 /nfs/dbraw/zinc/34/00/17/1401340017.db2.gz RUXFCSNZHUHKNS-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO Cc1ccoc1CC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497672024 1401538980 /nfs/dbraw/zinc/53/89/80/1401538980.db2.gz DHWXODZPHMELGK-NSCUHMNNSA-N 1 0 343.383 2.501 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccc[nH]1 ZINC001498536304 1402165069 /nfs/dbraw/zinc/16/50/69/1402165069.db2.gz IOCKGUPVJKIGBM-MDZDMXLPSA-N 1 0 342.399 2.574 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsn1 ZINC001502346568 1404087302 /nfs/dbraw/zinc/08/73/02/1404087302.db2.gz VZDZAWKCLSIRBO-UHFFFAOYSA-N 1 0 348.428 2.645 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001556549959 1415075379 /nfs/dbraw/zinc/07/53/79/1415075379.db2.gz FXIZVGUNLZQFJZ-STQMWFEESA-N 1 0 335.379 2.741 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001557371398 1415123036 /nfs/dbraw/zinc/12/30/36/1415123036.db2.gz FMWAGANCCYXWTD-UHFFFAOYSA-N 1 0 348.447 2.952 10 5 EFBERO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001557675331 1415137372 /nfs/dbraw/zinc/13/73/72/1415137372.db2.gz BFVLLMBTSQHVRL-GDBMZVCRSA-N 1 0 348.447 2.586 10 5 EFBERO Cc1nc(C)c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001558462699 1415181306 /nfs/dbraw/zinc/18/13/06/1415181306.db2.gz JAXQFVBTRKKGGN-UHFFFAOYSA-N 1 0 340.742 2.586 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C ZINC001559304240 1415239050 /nfs/dbraw/zinc/23/90/50/1415239050.db2.gz QGDNSXRTWSZBIH-AEGPPILISA-N 1 0 347.415 2.832 10 5 EFBERO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001560175799 1415265463 /nfs/dbraw/zinc/26/54/63/1415265463.db2.gz DTTYJTZRISEVOI-LLVKDONJSA-N 1 0 325.796 2.548 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC001565956286 1415267249 /nfs/dbraw/zinc/26/72/49/1415267249.db2.gz SAOIUHJMDBPHHN-QWHCGFSZSA-N 1 0 337.395 2.987 10 5 EFBERO CC(C)C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC001565605957 1415407089 /nfs/dbraw/zinc/40/70/89/1415407089.db2.gz MCDRWJRYSCULTQ-LLVKDONJSA-N 1 0 327.812 2.954 10 5 EFBERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565913623 1415448645 /nfs/dbraw/zinc/44/86/45/1415448645.db2.gz GYEPOVVWQZEAOH-FZMZJTMJSA-N 1 0 339.823 2.589 10 5 EFBERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565913624 1415448675 /nfs/dbraw/zinc/44/86/75/1415448675.db2.gz GYEPOVVWQZEAOH-RISCZKNCSA-N 1 0 339.823 2.589 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001566169396 1415533138 /nfs/dbraw/zinc/53/31/38/1415533138.db2.gz ONBNQLGRSBXJNW-UHFFFAOYSA-N 1 0 339.395 2.855 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001566383996 1415544227 /nfs/dbraw/zinc/54/42/27/1415544227.db2.gz FMBAEGMHLFUPHJ-CMPLNLGQSA-N 1 0 337.807 2.532 10 5 EFBERO CC[N@H+](CCCNC(=O)c1c[nH]cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001566574886 1415657617 /nfs/dbraw/zinc/65/76/17/1415657617.db2.gz LXXKAMCMSLBQOU-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cc[nH]c1 ZINC001566588733 1415673918 /nfs/dbraw/zinc/67/39/18/1415673918.db2.gz ZRCVFTFPXCZNBU-UHFFFAOYSA-N 1 0 342.399 2.707 10 5 EFBERO CC1(CCC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001566808352 1415781827 /nfs/dbraw/zinc/78/18/27/1415781827.db2.gz PTWRLMMNVSGIGY-SHTZXODSSA-N 1 0 331.416 2.912 10 5 EFBERO C[N@H+](CCNC(=O)C(F)=C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567276746 1416052697 /nfs/dbraw/zinc/05/26/97/1416052697.db2.gz CGCGMEGSHDWSHL-UHFFFAOYSA-N 1 0 335.379 2.940 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567421716 1416130828 /nfs/dbraw/zinc/13/08/28/1416130828.db2.gz BDCGKQITTVJZBM-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccns1)Cc1cccc([N+](=O)[O-])c1 ZINC001567425798 1416132591 /nfs/dbraw/zinc/13/25/91/1416132591.db2.gz DALJWUJRILGQEG-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO C[C@H](CC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001568490247 1416542972 /nfs/dbraw/zinc/54/29/72/1416542972.db2.gz JCGBEGWKLUJBJC-SNVBAGLBSA-N 1 0 347.337 2.818 10 5 EFBERO CO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001646084920 1416611151 /nfs/dbraw/zinc/61/11/51/1416611151.db2.gz ILAWHOMPRUFCEN-ZIAGYGMSSA-N 1 0 344.371 2.692 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001646289370 1416643429 /nfs/dbraw/zinc/64/34/29/1416643429.db2.gz VRZCVYKARSTESZ-LBPRGKRZSA-N 1 0 337.807 2.628 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc[nH]c1C)Cc1ccccc1[N+](=O)[O-] ZINC001689925437 1417095816 /nfs/dbraw/zinc/09/58/16/1417095816.db2.gz PISRUNCBMJGJCW-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO C[N@H+](CCCNC(=O)C(C)(C)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001707398922 1418238065 /nfs/dbraw/zinc/23/80/65/1418238065.db2.gz BADAGQAGADPPCV-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001713153273 1418341554 /nfs/dbraw/zinc/34/15/54/1418341554.db2.gz APYFESBUQCFZNI-PUHXBFOGSA-N 1 0 329.400 2.688 10 5 EFBERO O=C(CCC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713156985 1418343287 /nfs/dbraw/zinc/34/32/87/1418343287.db2.gz TYMBRHVSUXNIQQ-HAQNSBGRSA-N 1 0 345.321 2.674 10 5 EFBERO CCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001713283111 1418451784 /nfs/dbraw/zinc/45/17/84/1418451784.db2.gz PPMSJFLZJJEBJY-QLPKVWCKSA-N 1 0 345.443 2.968 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cn1 ZINC001714786810 1418638530 /nfs/dbraw/zinc/63/85/30/1418638530.db2.gz PDZDPSBMRLNWTM-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1occc1C ZINC001716239737 1418733603 /nfs/dbraw/zinc/73/36/03/1418733603.db2.gz MCYYNYPJLJYBQO-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001717008450 1419144531 /nfs/dbraw/zinc/14/45/31/1419144531.db2.gz MFBJOSAERWOYSV-DKFSEWANSA-N 1 0 343.427 2.841 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001717211379 1419268651 /nfs/dbraw/zinc/26/86/51/1419268651.db2.gz NUBOGELAPONKMD-UHFFFAOYSA-N 1 0 343.374 2.920 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC001723116480 1424429153 /nfs/dbraw/zinc/42/91/53/1424429153.db2.gz RIXPAWJTSHIHCB-UHFFFAOYSA-N 1 0 349.403 2.886 10 5 EFBERO CC1(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001725359758 1425505725 /nfs/dbraw/zinc/50/57/25/1425505725.db2.gz HOEJEVQWUDRMLD-SHTZXODSSA-N 1 0 331.416 2.769 10 5 EFBERO Cc1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC000804669306 713324255 /nfs/dbraw/zinc/32/42/55/713324255.db2.gz ZPEZKFKLRYTUNQ-PHIMTYICSA-N 1 0 340.221 2.664 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000926101409 714183498 /nfs/dbraw/zinc/18/34/98/714183498.db2.gz MDIYCIQVWIUNQK-NVXWUHKLSA-N 1 0 332.404 2.865 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@]2(C)C1 ZINC000933736571 715032662 /nfs/dbraw/zinc/03/26/62/715032662.db2.gz WTPDRRLDLQMCAO-KDOFPFPSSA-N 1 0 342.399 2.633 10 5 EFBERO CC[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000893449877 715526594 /nfs/dbraw/zinc/52/65/94/715526594.db2.gz KBHAGSFAWMSATR-BBRMVZONSA-N 1 0 334.420 2.829 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000893452681 715560798 /nfs/dbraw/zinc/56/07/98/715560798.db2.gz WRZWCLKIFYDPOC-YESZJQIVSA-N 1 0 346.431 2.924 10 5 EFBERO C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000031623233 717120620 /nfs/dbraw/zinc/12/06/20/717120620.db2.gz NEFZSDAFBFJUNW-QUCCMNQESA-N 1 0 332.464 2.846 10 5 in-man EFBERO CCOC(=O)[C@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 ZINC000936069745 717194986 /nfs/dbraw/zinc/19/49/86/717194986.db2.gz KUUJTAUBFSBFAA-XMTFNYHQSA-N 1 0 346.447 2.646 10 5 in-man EFBERO C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000925762991 717350053 /nfs/dbraw/zinc/35/00/53/717350053.db2.gz PTJOXLHUIDUNDN-MFKMUULPSA-N 1 0 342.237 2.978 10 5 EFBERO C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[NH+]2CCC1CC2 ZINC000892762390 719134850 /nfs/dbraw/zinc/13/48/50/719134850.db2.gz HCDNTOCFVIJRLY-IBGZPJMESA-N 1 0 339.395 2.962 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892775919 719156949 /nfs/dbraw/zinc/15/69/49/719156949.db2.gz DUCJCXLNASWLKA-YLZCUGDYSA-N 1 0 329.400 2.599 10 5 EFBERO Cc1c(Br)c(NC[C@@H]2CC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000311934115 719274843 /nfs/dbraw/zinc/27/48/43/719274843.db2.gz GVKCGAKPSUBTQY-BDAKNGLRSA-N 1 0 329.198 2.600 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893025476 719477953 /nfs/dbraw/zinc/47/79/53/719477953.db2.gz KTOQIRHKSFKGJE-HUUCEWRRSA-N 1 0 349.431 2.695 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000178569552 719748577 /nfs/dbraw/zinc/74/85/77/719748577.db2.gz SKSTVODSRQGUCA-XHDPSFHLSA-N 1 0 330.340 2.708 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841103938 720362709 /nfs/dbraw/zinc/36/27/09/720362709.db2.gz SZLHOEOYXUXGSB-HNNXBMFYSA-N 1 0 338.795 2.856 10 5 EFBERO C[C@@H]1CC[C@H](O)CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930749446 720483649 /nfs/dbraw/zinc/48/36/49/720483649.db2.gz HSGLWJKJXDMZLH-SKDRFNHKSA-N 1 0 329.194 2.703 10 5 EFBERO CC[NH+]1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162768402 721089468 /nfs/dbraw/zinc/08/94/68/721089468.db2.gz UAMAGQXFUTURSA-UHFFFAOYSA-N 1 0 342.237 2.931 10 5 EFBERO O=C(C[NH2+][C@H]1CCOC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000925191136 724739611 /nfs/dbraw/zinc/73/96/11/724739611.db2.gz GAQOZBRKSQVTEY-HNNXBMFYSA-N 1 0 333.388 2.615 10 5 EFBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931390642 721310491 /nfs/dbraw/zinc/31/04/91/721310491.db2.gz KLVWCWOXEUZGEW-PHIMTYICSA-N 1 0 340.221 2.636 10 5 EFBERO C[C@@H]1CN(CCCOC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893394765 721363535 /nfs/dbraw/zinc/36/35/35/721363535.db2.gz XGSGYLAQLSXIOS-LLVKDONJSA-N 1 0 342.779 2.516 10 5 EFBERO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(F)F ZINC000894316511 722079051 /nfs/dbraw/zinc/07/90/51/722079051.db2.gz MFUZRQJLXBHVMW-XWIASGKRSA-N 1 0 328.315 2.608 10 5 EFBERO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(F)F ZINC000894316490 722079059 /nfs/dbraw/zinc/07/90/59/722079059.db2.gz MFUZRQJLXBHVMW-CDMKHQONSA-N 1 0 328.315 2.608 10 5 EFBERO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(F)c1OC ZINC000894760655 722836114 /nfs/dbraw/zinc/83/61/14/722836114.db2.gz IGWQTZGTWIHTHN-UHFFFAOYSA-N 1 0 349.362 2.716 10 5 EFBERO C[C@@H]1[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435134 722862439 /nfs/dbraw/zinc/86/24/39/722862439.db2.gz RAKLCNAUDILTST-RDDDGLTNSA-N 1 0 332.187 2.724 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000727096927 723810561 /nfs/dbraw/zinc/81/05/61/723810561.db2.gz RPMRRHYHHKWCML-UHFFFAOYSA-N 1 0 327.275 2.567 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000727112253 723819799 /nfs/dbraw/zinc/81/97/99/723819799.db2.gz FFBNTDAJSPPTQK-FNOHHLHBSA-N 1 0 335.404 2.923 10 5 EFBERO COc1cc(C[NH2+]CC2CSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895421495 724131006 /nfs/dbraw/zinc/13/10/06/724131006.db2.gz LJMIVIDVIYVIKE-UHFFFAOYSA-N 1 0 348.371 2.700 10 5 EFBERO C[C@](CO)([NH2+]Cc1cccc2c1NCCC2)c1cccc([N+](=O)[O-])c1 ZINC000895445253 724137200 /nfs/dbraw/zinc/13/72/00/724137200.db2.gz YJURXHZLCPAIIJ-LJQANCHMSA-N 1 0 341.411 2.950 10 5 EFBERO CC1(C)CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)OC1 ZINC000895528932 724179246 /nfs/dbraw/zinc/17/92/46/724179246.db2.gz CAYFGPVFQLMAKI-INIZCTEOSA-N 1 0 348.447 2.753 10 5 EFBERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000895540021 724188598 /nfs/dbraw/zinc/18/85/98/724188598.db2.gz QFGJRAVMPJDYMS-ZKCHVHJHSA-N 1 0 335.223 2.933 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(CN3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000151827778 725841429 /nfs/dbraw/zinc/84/14/29/725841429.db2.gz PAZUUIWLRYUCEC-UHFFFAOYSA-N 1 0 343.431 2.710 10 5 EFBERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907204652 726884352 /nfs/dbraw/zinc/88/43/52/726884352.db2.gz FKWCVXCSCDAGBC-RYUDHWBXSA-N 1 0 339.823 2.732 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908127011 727105558 /nfs/dbraw/zinc/10/55/58/727105558.db2.gz VYIQPGJOXOLBGP-WBVHZDCISA-N 1 0 331.416 2.613 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000908276992 727149121 /nfs/dbraw/zinc/14/91/21/727149121.db2.gz ALRARHZLTYSBKX-UHFFFAOYSA-N 1 0 344.371 2.708 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000908500977 727194481 /nfs/dbraw/zinc/19/44/81/727194481.db2.gz ILMTVHBAYGTFEM-UHFFFAOYSA-N 1 0 331.416 2.979 10 5 EFBERO Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000912598288 727728083 /nfs/dbraw/zinc/72/80/83/727728083.db2.gz FEILQJKFUYTPRC-ZIAGYGMSSA-N 1 0 335.379 2.645 10 5 EFBERO CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000912731403 727739374 /nfs/dbraw/zinc/73/93/74/727739374.db2.gz VKNKQELWBKOHAN-WCBMZHEXSA-N 1 0 329.759 2.600 10 5 EFBERO C[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913280759 727810802 /nfs/dbraw/zinc/81/08/02/727810802.db2.gz GOHJBZJTDVMZIX-PJSAGSTRSA-N 1 0 349.406 2.638 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1C ZINC000913275371 727812514 /nfs/dbraw/zinc/81/25/14/727812514.db2.gz UPNRUPRYOCVAKT-ROUUACIJSA-N 1 0 331.416 2.625 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913276310 727812810 /nfs/dbraw/zinc/81/28/10/727812810.db2.gz HUJRKRATIXEKPO-RTBURBONSA-N 1 0 345.443 2.673 10 5 EFBERO C/C(=C\C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913281805 727814952 /nfs/dbraw/zinc/81/49/52/727814952.db2.gz SUBSOLLFTMOHOM-NIKHWINYSA-N 1 0 343.427 2.798 10 5 EFBERO CCc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913282913 727815146 /nfs/dbraw/zinc/81/51/46/727815146.db2.gz KQYWJZDIGUMGFQ-HDICACEKSA-N 1 0 331.416 2.571 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913282703 727815185 /nfs/dbraw/zinc/81/51/85/727815185.db2.gz INQPSGDMRQZWNA-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000913389507 727827565 /nfs/dbraw/zinc/82/75/65/727827565.db2.gz FLNDOYMKLVVRRP-UHFFFAOYSA-N 1 0 349.431 2.938 10 5 EFBERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384702 727830514 /nfs/dbraw/zinc/83/05/14/727830514.db2.gz CEEKFXSSWSQICU-UWVGGRQHSA-N 1 0 343.786 2.876 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000913399050 727832423 /nfs/dbraw/zinc/83/24/23/727832423.db2.gz UCYJKTHJOKOOEL-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000163938468 727897296 /nfs/dbraw/zinc/89/72/96/727897296.db2.gz CVZRRUNYMVPYFB-ZJUUUORDSA-N 1 0 328.210 2.778 10 5 EFBERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102574 728316424 /nfs/dbraw/zinc/31/64/24/728316424.db2.gz FIAMMOQHVPAUCW-CABZTGNLSA-N 1 0 326.784 2.982 10 5 EFBERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000920659702 729217155 /nfs/dbraw/zinc/21/71/55/729217155.db2.gz OLSARCIXNXRJOC-JATKITJMSA-N 1 0 346.431 2.970 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001570232982 1086071434 /nfs/dbraw/zinc/07/14/34/1086071434.db2.gz HBESWNDCYLZISZ-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(F)c1 ZINC001570312840 1086141226 /nfs/dbraw/zinc/14/12/26/1086141226.db2.gz ZWWUPHMIWMSHJH-UHFFFAOYSA-N 1 0 332.335 2.630 10 5 EFBERO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001570620036 1086413360 /nfs/dbraw/zinc/41/33/60/1086413360.db2.gz YZWFVDKMGJOFDH-HZPDHXFCSA-N 1 0 349.431 2.841 10 5 EFBERO CC(C)=CC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001647047992 1088771060 /nfs/dbraw/zinc/77/10/60/1088771060.db2.gz HMEFMDYOEXRTOY-UHFFFAOYSA-N 1 0 331.416 2.984 10 5 EFBERO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001647591429 1089586885 /nfs/dbraw/zinc/58/68/85/1089586885.db2.gz ZSPMTPSSSGPUHT-TZMCWYRMSA-N 1 0 346.387 2.628 10 5 EFBERO C[C@@](CO)([NH2+]Cc1cccc2nsnc21)c1cccc([N+](=O)[O-])c1 ZINC001648017077 1089932540 /nfs/dbraw/zinc/93/25/40/1089932540.db2.gz HUHAYLAEUIRZSZ-INIZCTEOSA-N 1 0 344.396 2.597 10 5 EFBERO Cc1ccccc1[C@@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001648333354 1089986679 /nfs/dbraw/zinc/98/66/79/1089986679.db2.gz OZACKUMTBCAWPI-GOSISDBHSA-N 1 0 330.384 2.947 10 5 EFBERO O=C(CN1CCCC[C@]12CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001620684709 1091149534 /nfs/dbraw/zinc/14/95/34/1091149534.db2.gz RRKSMUKBCYZUBF-QGZVFWFLSA-N 1 0 333.388 2.568 10 5 EFBERO O=C(CN1CCCC[C@@]12CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001620684708 1091149980 /nfs/dbraw/zinc/14/99/80/1091149980.db2.gz RRKSMUKBCYZUBF-KRWDZBQOSA-N 1 0 333.388 2.568 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@]12CCOC2 ZINC001648641520 1092243754 /nfs/dbraw/zinc/24/37/54/1092243754.db2.gz BSQAFSQLQSZWKA-SFHVURJKSA-N 1 0 347.415 2.877 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650107 1092245170 /nfs/dbraw/zinc/24/51/70/1092245170.db2.gz UFMNERPAAFIJMG-STQMWFEESA-N 1 0 337.445 2.991 10 5 EFBERO CCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001649439444 1092463621 /nfs/dbraw/zinc/46/36/21/1092463621.db2.gz XOCQYLOKFMAOAP-HAQNSBGRSA-N 1 0 325.434 2.829 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCC=CCC1 ZINC001267088802 1092632859 /nfs/dbraw/zinc/63/28/59/1092632859.db2.gz CBWGLHUVWKFJOC-UHFFFAOYSA-N 1 0 337.445 2.951 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001587990218 1092879610 /nfs/dbraw/zinc/87/96/10/1092879610.db2.gz KSVQTKBRFVZSBR-KBPBESRZSA-N 1 0 347.415 2.550 10 5 EFBERO CCc1occc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267193626 1093148411 /nfs/dbraw/zinc/14/84/11/1093148411.db2.gz UJRODHDTLRUUIF-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO COc1ccsc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267227021 1093277688 /nfs/dbraw/zinc/27/76/88/1093277688.db2.gz ZTCLFKIBUJDLJV-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001267231962 1093298776 /nfs/dbraw/zinc/29/87/76/1093298776.db2.gz SOUOWTNGSGAWEO-UHFFFAOYSA-N 1 0 344.415 2.953 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001267235436 1093309891 /nfs/dbraw/zinc/30/98/91/1093309891.db2.gz AIEBFNRCZGKNCE-UHFFFAOYSA-N 1 0 346.387 2.613 10 5 EFBERO CC1(C)CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC001650975837 1093515696 /nfs/dbraw/zinc/51/56/96/1093515696.db2.gz UXLOEIMAUGRBEK-UHFFFAOYSA-N 1 0 347.337 2.507 10 5 EFBERO COC(=O)c1cc(C)nc(NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001651081651 1093523435 /nfs/dbraw/zinc/52/34/35/1093523435.db2.gz HOAVQIIKZBFOMM-UHFFFAOYSA-N 1 0 338.408 2.617 10 5 EFBERO C[NH+](C)CCCC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001651081652 1093523815 /nfs/dbraw/zinc/52/38/15/1093523815.db2.gz HOMCFNQGUVKBKO-UHFFFAOYSA-N 1 0 343.449 2.531 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001651192565 1093538029 /nfs/dbraw/zinc/53/80/29/1093538029.db2.gz HWFJJBKEHSAPKT-PHIMTYICSA-N 1 0 334.807 2.970 10 5 EFBERO CCC1(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001267332160 1093598996 /nfs/dbraw/zinc/59/89/96/1093598996.db2.gz FCHHCOOMFUMOIC-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C1CCC1 ZINC001267408596 1094494153 /nfs/dbraw/zinc/49/41/53/1094494153.db2.gz LIXZFJCPQWLZGL-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001596173903 1094518250 /nfs/dbraw/zinc/51/82/50/1094518250.db2.gz UGUJLFKPPXONKP-CQSZACIVSA-N 1 0 334.420 2.683 10 5 EFBERO C/C(=C\C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785226818 1094667256 /nfs/dbraw/zinc/66/72/56/1094667256.db2.gz YONHYJJNVMTHNC-OKFGHLOFSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785354438 1095076335 /nfs/dbraw/zinc/07/63/35/1095076335.db2.gz KGQATPVFRVHAIR-OWBHPGMISA-N 1 0 329.400 2.552 10 5 EFBERO C/C(=C\C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357815 1095116057 /nfs/dbraw/zinc/11/60/57/1095116057.db2.gz KHJASAIFPFKYSU-WYMLVPIESA-N 1 0 343.427 2.989 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001268240102 1096161614 /nfs/dbraw/zinc/16/16/14/1096161614.db2.gz HGOOBEDGVXKZHR-UHFFFAOYSA-N 1 0 341.411 2.728 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cocc1C ZINC001268470874 1096832164 /nfs/dbraw/zinc/83/21/64/1096832164.db2.gz HQDDGLVZDYSNMI-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001268504290 1097029555 /nfs/dbraw/zinc/02/95/55/1097029555.db2.gz DLAGMRCKLAABKC-SNAWJCMRSA-N 1 0 325.368 2.671 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001268514240 1097111232 /nfs/dbraw/zinc/11/12/32/1097111232.db2.gz UNDVEUKBGGMMSZ-OWOJBTEDSA-N 1 0 348.790 2.652 10 5 EFBERO C/C(=C\C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001268515369 1097116288 /nfs/dbraw/zinc/11/62/88/1097116288.db2.gz AVUMPLFWLSISJK-GJFJKGJZSA-N 1 0 329.400 2.713 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(F)F)CC1 ZINC001268790399 1097637389 /nfs/dbraw/zinc/63/73/89/1097637389.db2.gz DUKSXPNNMPBKGB-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(F)CCCC1 ZINC001268802057 1097650303 /nfs/dbraw/zinc/65/03/03/1097650303.db2.gz LLLOIDAJVORFAX-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C(C1CC1)C1CC1 ZINC001269518980 1098204464 /nfs/dbraw/zinc/20/44/64/1098204464.db2.gz UKKFHPYUGJKKMC-UHFFFAOYSA-N 1 0 343.427 2.769 10 5 EFBERO COCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269965460 1098549189 /nfs/dbraw/zinc/54/91/89/1098549189.db2.gz LSEHTXCCODHAFX-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2c(OCC)cccc2[N+](=O)[O-])CC1 ZINC001611203209 1098991288 /nfs/dbraw/zinc/99/12/88/1098991288.db2.gz UWHBMNRLKRZTIL-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)[N@H+](C)C1CC1 ZINC001611932745 1099037909 /nfs/dbraw/zinc/03/79/09/1099037909.db2.gz OQLPXNZKUMEPPI-SECBINFHSA-N 1 0 341.795 2.929 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001612443420 1099058832 /nfs/dbraw/zinc/05/88/32/1099058832.db2.gz FITBTAPOWIWFND-CYBMUJFWSA-N 1 0 337.420 2.843 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCC[N@H+](C)C1CC1 ZINC001612457298 1099059093 /nfs/dbraw/zinc/05/90/93/1099059093.db2.gz RBYFIXISJLHPIQ-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001613060480 1099089000 /nfs/dbraw/zinc/08/90/00/1099089000.db2.gz VFEBJLQOCPJAPC-HUUCEWRRSA-N 1 0 335.452 2.819 10 5 EFBERO CCCCCN(CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001615484018 1099159970 /nfs/dbraw/zinc/15/99/70/1099159970.db2.gz ANYNJHIXYCGMNS-UHFFFAOYSA-N 1 0 334.376 2.629 10 5 EFBERO Cc1nc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001481312693 1099229417 /nfs/dbraw/zinc/22/94/17/1099229417.db2.gz YMICGZDSXFQNOY-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CC[C@@H]1COC(C)(C)CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001619854745 1099337540 /nfs/dbraw/zinc/33/75/40/1099337540.db2.gz UPFTYXVZYZQWPR-CYBMUJFWSA-N 1 0 338.404 2.872 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001620561314 1099361270 /nfs/dbraw/zinc/36/12/70/1099361270.db2.gz SOTCZQUEOLXOSA-MAEOIBBWSA-N 1 0 328.368 2.613 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ncccn3)CC2)c1 ZINC001620595833 1099362339 /nfs/dbraw/zinc/36/23/39/1099362339.db2.gz PERVAYTUWYRSQQ-UHFFFAOYSA-N 1 0 328.372 2.643 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001620671385 1099368621 /nfs/dbraw/zinc/36/86/21/1099368621.db2.gz LPZNSNDQGHHXNR-MRXNPFEDSA-N 1 0 347.415 2.923 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001481350868 1099420422 /nfs/dbraw/zinc/42/04/22/1099420422.db2.gz RDHZNCZPUMDQOE-UHFFFAOYSA-N 1 0 344.415 2.953 10 5 EFBERO O=C(CC1CC1)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001267830008 1099495881 /nfs/dbraw/zinc/49/58/81/1099495881.db2.gz JGMPBVQTXJWPKK-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO C[NH+](C)Cc1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001623746148 1099620801 /nfs/dbraw/zinc/62/08/01/1099620801.db2.gz PMAPZTGXZDJZOE-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001624483927 1099696765 /nfs/dbraw/zinc/69/67/65/1099696765.db2.gz DVOZSYANBUHFFA-UHFFFAOYSA-N 1 0 347.762 2.702 10 5 EFBERO CC(C)(C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC001624566480 1099707811 /nfs/dbraw/zinc/70/78/11/1099707811.db2.gz RPVVBCCRTMGAJB-UHFFFAOYSA-N 1 0 331.376 2.674 10 5 EFBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](c1ccccc1)[NH+](C)C ZINC001625652015 1099835430 /nfs/dbraw/zinc/83/54/30/1099835430.db2.gz RUBAKHSRVMZOJZ-YVEFUNNKSA-N 1 0 342.399 2.598 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC001627975617 1100046653 /nfs/dbraw/zinc/04/66/53/1100046653.db2.gz FDAJFCZHXLJSQV-PHIMTYICSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001629984067 1100265933 /nfs/dbraw/zinc/26/59/33/1100265933.db2.gz OCVOSXWGRBHEOS-SNVBAGLBSA-N 1 0 343.786 2.849 10 5 EFBERO Cc1nc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]c1C ZINC001630881936 1100348754 /nfs/dbraw/zinc/34/87/54/1100348754.db2.gz DOBMBBKZHHFVBQ-UHFFFAOYSA-N 1 0 346.390 2.951 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001631375560 1100393450 /nfs/dbraw/zinc/39/34/50/1100393450.db2.gz CNKIDIGPUMBEMF-ZDUSSCGKSA-N 1 0 339.823 2.639 10 5 EFBERO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001631655402 1100417066 /nfs/dbraw/zinc/41/70/66/1100417066.db2.gz QXPSMFFTOLNLEU-UHFFFAOYSA-N 1 0 337.395 2.989 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001632473877 1100476303 /nfs/dbraw/zinc/47/63/03/1100476303.db2.gz YWIXXJCVGUIHOS-CQSZACIVSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001632477440 1100477312 /nfs/dbraw/zinc/47/73/12/1100477312.db2.gz LVWPFUNQWBSRBG-NSHDSACASA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001633375020 1100539041 /nfs/dbraw/zinc/53/90/41/1100539041.db2.gz OUMOLSYDSLHDBD-LLVKDONJSA-N 1 0 331.376 2.530 10 5 EFBERO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001635896473 1100686743 /nfs/dbraw/zinc/68/67/43/1100686743.db2.gz UCMUZCMHGNANJC-CQSZACIVSA-N 1 0 346.431 2.704 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001636725813 1100734188 /nfs/dbraw/zinc/73/41/88/1100734188.db2.gz JVTNYJLJGZHETM-GFCCVEGCSA-N 1 0 339.823 2.733 10 5 EFBERO Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c(N)c1[N+](=O)[O-] ZINC001636723887 1100734453 /nfs/dbraw/zinc/73/44/53/1100734453.db2.gz FKFAGSNUCKSYJE-OAHLLOKOSA-N 1 0 334.420 2.934 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001637288158 1100770630 /nfs/dbraw/zinc/77/06/30/1100770630.db2.gz GVRNOAFPCCRFKI-GJZGRUSLSA-N 1 0 331.416 2.913 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001638032952 1100827326 /nfs/dbraw/zinc/82/73/26/1100827326.db2.gz SOPOGKLAWJTUQE-CQSZACIVSA-N 1 0 331.416 2.992 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001638769807 1100885727 /nfs/dbraw/zinc/88/57/27/1100885727.db2.gz NXFXFVJFRWOMRK-KGLIPLIRSA-N 1 0 337.445 2.532 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001639265815 1100931333 /nfs/dbraw/zinc/93/13/33/1100931333.db2.gz AKDZWLXOQFXLMP-HNNXBMFYSA-N 1 0 333.432 2.719 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001639266167 1100931825 /nfs/dbraw/zinc/93/18/25/1100931825.db2.gz IEODICYGNXTBSE-LBPRGKRZSA-N 1 0 325.796 2.708 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001639271935 1100932402 /nfs/dbraw/zinc/93/24/02/1100932402.db2.gz DVSBTLNMDUZWBN-STQMWFEESA-N 1 0 335.404 2.914 10 5 EFBERO CC1(C)CCC[N@@H+]1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001640018828 1101005052 /nfs/dbraw/zinc/00/50/52/1101005052.db2.gz QSEZSKKKPBDYGE-UHFFFAOYSA-N 1 0 332.379 2.990 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000840340898 1101012520 /nfs/dbraw/zinc/01/25/20/1101012520.db2.gz QRGZKRNFEPGNCV-PMGBHYCQSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001640217956 1101024345 /nfs/dbraw/zinc/02/43/45/1101024345.db2.gz UWNNQGMYNQCZMG-IUODEOHRSA-N 1 0 335.379 2.741 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C ZINC001640360196 1101039302 /nfs/dbraw/zinc/03/93/02/1101039302.db2.gz ULCZFCTULBMEFY-GASCZTMLSA-N 1 0 345.443 2.958 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001640524726 1101055441 /nfs/dbraw/zinc/05/54/41/1101055441.db2.gz AZCNGQOARFGKII-HUUCEWRRSA-N 1 0 343.431 2.942 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001640525555 1101056197 /nfs/dbraw/zinc/05/61/97/1101056197.db2.gz PENAWPIHGLMICB-CQSZACIVSA-N 1 0 347.415 2.834 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)CC)C2)cc1C ZINC001640549016 1101058152 /nfs/dbraw/zinc/05/81/52/1101058152.db2.gz LWLCEYLFIFTKJI-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC001642407991 1101212099 /nfs/dbraw/zinc/21/20/99/1101212099.db2.gz IFPDGBGBHOHPEY-GFCCVEGCSA-N 1 0 325.368 2.965 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(F)c1 ZINC001642612073 1101227743 /nfs/dbraw/zinc/22/77/43/1101227743.db2.gz MWHSLAHIDPNJMX-UHFFFAOYSA-N 1 0 332.335 2.630 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001642913595 1101255019 /nfs/dbraw/zinc/25/50/19/1101255019.db2.gz UVNZKDUKVSBNQN-OAHLLOKOSA-N 1 0 346.431 2.704 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@H]1C ZINC001643203398 1101279339 /nfs/dbraw/zinc/27/93/39/1101279339.db2.gz RXMRTYSTALCSII-UFBFGSQYSA-N 1 0 327.768 2.539 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001643203396 1101279493 /nfs/dbraw/zinc/27/94/93/1101279493.db2.gz RXMRTYSTALCSII-PRHODGIISA-N 1 0 327.768 2.539 10 5 EFBERO C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001651418554 1101325708 /nfs/dbraw/zinc/32/57/08/1101325708.db2.gz MCWJXBUPPWYHEI-ZDUSSCGKSA-N 1 0 329.404 2.696 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001651512125 1101341438 /nfs/dbraw/zinc/34/14/38/1101341438.db2.gz KHTUJIQYERXECO-HNNXBMFYSA-N 1 0 333.388 2.586 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001651512126 1101342640 /nfs/dbraw/zinc/34/26/40/1101342640.db2.gz KHTUJIQYERXECO-OAHLLOKOSA-N 1 0 333.388 2.586 10 5 EFBERO C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001651672218 1101364417 /nfs/dbraw/zinc/36/44/17/1101364417.db2.gz NUCXDTVOPIEBBY-NSHDSACASA-N 1 0 325.796 2.662 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCCC[N@H+](C)CC(C)C)c2c1 ZINC001652007120 1101419170 /nfs/dbraw/zinc/41/91/70/1101419170.db2.gz HPYZKPCJWVUACR-UHFFFAOYSA-N 1 0 346.431 2.963 10 5 EFBERO Cc1nn(C)c(NCc2ccc(Nc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC001652087317 1101431865 /nfs/dbraw/zinc/43/18/65/1101431865.db2.gz BOTCDFYOKXOPDJ-UHFFFAOYSA-N 1 0 338.371 2.809 10 5 EFBERO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C[C@H](C)[NH2+]1 ZINC001652130614 1101438667 /nfs/dbraw/zinc/43/86/67/1101438667.db2.gz BWJQYDRUSHDOAN-VHSXEESVSA-N 1 0 341.795 2.612 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266612368 1101459372 /nfs/dbraw/zinc/45/93/72/1101459372.db2.gz PTBOWLADJULDHK-NMSWQPQWSA-N 1 0 335.429 2.916 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001670667291 1101463133 /nfs/dbraw/zinc/46/31/33/1101463133.db2.gz FLDAEFNZORWGLY-MWQQHZPXSA-N 1 0 346.431 2.685 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001652491552 1101500071 /nfs/dbraw/zinc/50/00/71/1101500071.db2.gz LJNVOVJUBVARBK-GOEBONIOSA-N 1 0 333.432 2.620 10 5 EFBERO C[C@H](CN1CCOCC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001654011912 1101669513 /nfs/dbraw/zinc/66/95/13/1101669513.db2.gz YHNPYIXAYSVZDZ-OAHLLOKOSA-N 1 0 333.432 2.528 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081494 1101679807 /nfs/dbraw/zinc/67/98/07/1101679807.db2.gz YIJICDYWIBTGEC-VXGBXAGGSA-N 1 0 344.371 2.655 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCCC[C@H]2CCO)o1 ZINC001654440311 1101717883 /nfs/dbraw/zinc/71/78/83/1101717883.db2.gz BQBYHVUGDCXFTQ-ZDUSSCGKSA-N 1 0 346.387 2.772 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001654750000 1101753776 /nfs/dbraw/zinc/75/37/76/1101753776.db2.gz IHZZNYWTSVOQCI-JTQLQIEISA-N 1 0 334.763 2.933 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001655100258 1101786195 /nfs/dbraw/zinc/78/61/95/1101786195.db2.gz COKMJNWHEFEQBE-HNNXBMFYSA-N 1 0 333.388 2.533 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@]12CCOC2 ZINC001655123341 1101788106 /nfs/dbraw/zinc/78/81/06/1101788106.db2.gz IMBVKPIYIAUQEH-GOSISDBHSA-N 1 0 347.415 2.877 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220223 1101796441 /nfs/dbraw/zinc/79/64/41/1101796441.db2.gz ANACFDDPVWLHKM-MEBBXXQBSA-N 1 0 343.339 2.826 10 5 EFBERO C[N@H+]1CC=C(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001655319579 1101810805 /nfs/dbraw/zinc/81/08/05/1101810805.db2.gz SFYZSLPFCPBCQK-UHFFFAOYSA-N 1 0 332.791 2.892 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001655554311 1101847252 /nfs/dbraw/zinc/84/72/52/1101847252.db2.gz CWDBCMIUHBWLMU-NSHDSACASA-N 1 0 344.327 2.792 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001655669475 1101867792 /nfs/dbraw/zinc/86/77/92/1101867792.db2.gz GZWAEIIXAOKPRX-LSDHHAIUSA-N 1 0 333.388 2.666 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669441 1101868090 /nfs/dbraw/zinc/86/80/90/1101868090.db2.gz GRCKGOFXRHOBEH-CVEARBPZSA-N 1 0 344.390 2.989 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001655811480 1101895084 /nfs/dbraw/zinc/89/50/84/1101895084.db2.gz RQGHTQYEDLNDMP-SUMWQHHRSA-N 1 0 349.456 2.917 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2cc(F)ccc2F)c1 ZINC001655880707 1101904604 /nfs/dbraw/zinc/90/46/04/1101904604.db2.gz QCGFFDCDXRDAGR-INIZCTEOSA-N 1 0 338.310 2.575 10 5 EFBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001655919236 1101910652 /nfs/dbraw/zinc/91/06/52/1101910652.db2.gz PSPFEJDEFDYSIB-KRWDZBQOSA-N 1 0 344.415 2.804 10 5 EFBERO CC/C=C(/C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656122724 1101966042 /nfs/dbraw/zinc/96/60/42/1101966042.db2.gz XAXFDMPNUKSMIH-UXIWWSGNSA-N 1 0 331.416 2.936 10 5 EFBERO CC1(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001656147569 1101976069 /nfs/dbraw/zinc/97/60/69/1101976069.db2.gz XBRBNNYLKVKSDE-BJHJDKERSA-N 1 0 337.445 2.831 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)c1 ZINC001656469798 1102101650 /nfs/dbraw/zinc/10/16/50/1102101650.db2.gz PISKBSKRCGHUNQ-OAHLLOKOSA-N 1 0 330.388 2.594 10 5 EFBERO Cc1oc(C)c(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001266765837 1102161482 /nfs/dbraw/zinc/16/14/82/1102161482.db2.gz ATHGONXWSJSWMY-UHFFFAOYSA-N 1 0 345.399 2.975 10 5 EFBERO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC001658193844 1102444035 /nfs/dbraw/zinc/44/40/35/1102444035.db2.gz CBPAZLSXBRZQEG-NEPJUHHUSA-N 1 0 332.360 2.550 10 5 EFBERO C[N@H+](CCOc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC001658612166 1102473134 /nfs/dbraw/zinc/47/31/34/1102473134.db2.gz HJBOYZWIDPRLCE-UHFFFAOYSA-N 1 0 344.367 2.877 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000588440853 1102524402 /nfs/dbraw/zinc/52/44/02/1102524402.db2.gz VBFJLNIEKHNYBG-VWILAXROSA-N 1 0 331.416 2.797 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC001659612852 1102553650 /nfs/dbraw/zinc/55/36/50/1102553650.db2.gz RCBGFVWFGYVBLD-RYUDHWBXSA-N 1 0 331.376 2.809 10 5 EFBERO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001660167752 1102624690 /nfs/dbraw/zinc/62/46/90/1102624690.db2.gz YSMSJQPZMVMJCU-HNNXBMFYSA-N 1 0 333.432 2.922 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ncoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001660498708 1102798543 /nfs/dbraw/zinc/79/85/43/1102798543.db2.gz ZYPZHLNOUBDSHL-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001660658866 1102913819 /nfs/dbraw/zinc/91/38/19/1102913819.db2.gz ZIEGWAZYSWUKCX-RTBURBONSA-N 1 0 342.395 2.612 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001660658864 1102914547 /nfs/dbraw/zinc/91/45/47/1102914547.db2.gz ZIEGWAZYSWUKCX-OALUTQOASA-N 1 0 342.395 2.612 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1Cc1ccnn1C ZINC001660700023 1102935737 /nfs/dbraw/zinc/93/57/37/1102935737.db2.gz AEOFARLQZOVVPK-HNNXBMFYSA-N 1 0 330.388 2.544 10 5 EFBERO CCNc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001126625161 1102988821 /nfs/dbraw/zinc/98/88/21/1102988821.db2.gz JLMPRMSOABQHMW-UONOGXRCSA-N 1 0 334.420 2.629 10 5 EFBERO CC[NH+]1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905382666 1103114166 /nfs/dbraw/zinc/11/41/66/1103114166.db2.gz XJCAXKVGTUSJSC-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001662063548 1103575420 /nfs/dbraw/zinc/57/54/20/1103575420.db2.gz HDQROHQTHVGPDL-ZSHCYNCHSA-N 1 0 331.416 2.577 10 5 EFBERO Cc1ccncc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001483457583 1103752372 /nfs/dbraw/zinc/75/23/72/1103752372.db2.gz ORLPXGCVVLPYCY-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO C[N@H+](CCNC(=O)c1ccc(F)cc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001663323554 1104057341 /nfs/dbraw/zinc/05/73/41/1104057341.db2.gz JXZACKWZMYRGKM-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001126675997 1104274957 /nfs/dbraw/zinc/27/49/57/1104274957.db2.gz ODLVVSJLCDRHLC-MRXNPFEDSA-N 1 0 349.406 2.657 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001299822316 1104315857 /nfs/dbraw/zinc/31/58/57/1104315857.db2.gz OWAUWGUPYFQXCB-VXGBXAGGSA-N 1 0 343.786 2.846 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CF)cc1 ZINC001664398980 1104378051 /nfs/dbraw/zinc/37/80/51/1104378051.db2.gz GFZCLCSQODUBHS-UHFFFAOYSA-N 1 0 345.374 2.926 10 5 EFBERO CCN(CC)[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127677586 1105050758 /nfs/dbraw/zinc/05/07/58/1105050758.db2.gz HWEXOFWLGSRFDC-OAHLLOKOSA-N 1 0 334.464 2.884 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)oc1C ZINC001493516789 1105107301 /nfs/dbraw/zinc/10/73/01/1105107301.db2.gz SGVJVKZMKWSFHM-UHFFFAOYSA-N 1 0 337.401 2.728 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001482908254 1105156616 /nfs/dbraw/zinc/15/66/16/1105156616.db2.gz LNSAHLUFMXWUHL-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(CCF)CC1 ZINC001667603863 1105166180 /nfs/dbraw/zinc/16/61/80/1105166180.db2.gz RKCWVRJYDVNIIH-UHFFFAOYSA-N 1 0 337.395 2.625 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1C ZINC001482923352 1105180434 /nfs/dbraw/zinc/18/04/34/1105180434.db2.gz PKWINVXDXHBETE-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccnc1C ZINC001482949187 1105244803 /nfs/dbraw/zinc/24/48/03/1105244803.db2.gz TVHDXOARWDJKLJ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001482978172 1105287690 /nfs/dbraw/zinc/28/76/90/1105287690.db2.gz GKRPTHSBBCEPHG-WAYWQWQTSA-N 1 0 343.358 2.810 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001668472447 1105304008 /nfs/dbraw/zinc/30/40/08/1105304008.db2.gz CIUHRMLKEROMTN-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001482982947 1105321453 /nfs/dbraw/zinc/32/14/53/1105321453.db2.gz SWRJBTUFNPHELL-ARJAWSKDSA-N 1 0 331.397 2.732 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1sccc1F ZINC001668811037 1105377157 /nfs/dbraw/zinc/37/71/57/1105377157.db2.gz YASYKJGREUWOGA-ONEGZZNKSA-N 1 0 349.387 2.871 10 5 EFBERO O=C(Cc1ccccc1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668887283 1105393794 /nfs/dbraw/zinc/39/37/94/1105393794.db2.gz HYOJJJFUGKAAMK-SNAWJCMRSA-N 1 0 339.395 2.600 10 5 EFBERO Cc1coc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001668988828 1105412511 /nfs/dbraw/zinc/41/25/11/1105412511.db2.gz HQFBTEYKMZOWST-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001482997659 1105503183 /nfs/dbraw/zinc/50/31/83/1105503183.db2.gz QSFAKJNALIQNHE-ARJAWSKDSA-N 1 0 343.383 2.880 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483001753 1105511919 /nfs/dbraw/zinc/51/19/19/1105511919.db2.gz BNEOCRPTDQOFEI-AATRIKPKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NCC1CC1)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000085936245 1105724337 /nfs/dbraw/zinc/72/43/37/1105724337.db2.gz SMQXZANLBSXTRU-UHFFFAOYSA-N 1 0 331.416 2.566 10 5 EFBERO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685775 1106495663 /nfs/dbraw/zinc/49/56/63/1106495663.db2.gz FXRWOFYAFXVGCD-INIZCTEOSA-N 1 0 334.420 2.783 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001483058489 1107798271 /nfs/dbraw/zinc/79/82/71/1107798271.db2.gz VLBXSECMNUDYKH-ONEGZZNKSA-N 1 0 329.400 2.547 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001681237090 1108175066 /nfs/dbraw/zinc/17/50/66/1108175066.db2.gz DNGMZJUQXQTDJE-QGZVFWFLSA-N 1 0 348.447 2.509 10 5 EFBERO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000905026458 1108361247 /nfs/dbraw/zinc/36/12/47/1108361247.db2.gz BMUUTKATHVRILP-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)s1 ZINC001483100929 1108660562 /nfs/dbraw/zinc/66/05/62/1108660562.db2.gz QTURNEYKZAYJDG-OWOJBTEDSA-N 1 0 349.387 2.871 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC001126878425 1109007587 /nfs/dbraw/zinc/00/75/87/1109007587.db2.gz YPXKLKUTKANCFB-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898608764 1109029049 /nfs/dbraw/zinc/02/90/49/1109029049.db2.gz DVUBQWFILOUCSU-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000898833435 1109097119 /nfs/dbraw/zinc/09/71/19/1109097119.db2.gz SSQUONPRBZJQKN-RCBQFDQVSA-N 1 0 331.416 2.687 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C12CCC2 ZINC000898847039 1109103539 /nfs/dbraw/zinc/10/35/39/1109103539.db2.gz XVUORRDUOFRKTD-JKSUJKDBSA-N 1 0 342.399 2.679 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000899561929 1109387260 /nfs/dbraw/zinc/38/72/60/1109387260.db2.gz LIIJGEAJOHGETN-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914443741 1111148272 /nfs/dbraw/zinc/14/82/72/1111148272.db2.gz NRUUDYGQWJGRPJ-TZMCWYRMSA-N 1 0 334.420 2.512 10 5 EFBERO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547964 1111547914 /nfs/dbraw/zinc/54/79/14/1111547914.db2.gz SCXDKLLOVYXOIZ-SKDRFNHKSA-N 1 0 329.194 2.872 10 5 EFBERO Cc1coc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001483760178 1112039836 /nfs/dbraw/zinc/03/98/36/1112039836.db2.gz JWGAGQZYLPSTHD-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO CC(C)C(=O)NCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001484130802 1112806119 /nfs/dbraw/zinc/80/61/19/1112806119.db2.gz CQACAWAMMNWSOX-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000009216592 201770008 /nfs/dbraw/zinc/77/00/08/201770008.db2.gz QEJZUTMOWHESMQ-ZDUSSCGKSA-N 1 0 349.412 2.698 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000183375601 235034724 /nfs/dbraw/zinc/03/47/24/235034724.db2.gz TUNRGPABBIFBJI-UHFFFAOYSA-N 1 0 331.416 2.880 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183650639 235182150 /nfs/dbraw/zinc/18/21/50/235182150.db2.gz RDJVMLNQRNYZOT-BBRMVZONSA-N 1 0 343.383 2.553 10 5 EFBERO CC1(C)CC(NC(=O)CCCCC[N+](C)(C)C)CC(C)(C)N1O ZINC000022067232 202078342 /nfs/dbraw/zinc/07/83/42/202078342.db2.gz HKDAGKWBVLTXKH-UHFFFAOYSA-O 1 0 328.521 2.780 10 5 in-vitro EFBERO C[NH+](C)CCN1C(=O)c2cccc3c(N)c4ccccc4c(c32)C1=O ZINC000029348027 202185290 /nfs/dbraw/zinc/18/52/90/202185290.db2.gz BVJYKGQPRKCYMA-UHFFFAOYSA-N 1 0 333.391 2.733 10 5 EFBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187985201 236371783 /nfs/dbraw/zinc/37/17/83/236371783.db2.gz GMJVPPIOXOWWMY-SJKOYZFVSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187967248 236361605 /nfs/dbraw/zinc/36/16/05/236361605.db2.gz VZGLXQHAYMBTLY-SCLBCKFNSA-N 1 0 349.431 2.715 10 5 EFBERO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 ZINC000077221018 202391477 /nfs/dbraw/zinc/39/14/77/202391477.db2.gz RMEUGHOQYBZINJ-UHFFFAOYSA-N 1 0 330.340 2.664 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000264743380 201211773 /nfs/dbraw/zinc/21/17/73/201211773.db2.gz KUBCVGARECFVGZ-MQVJKMGUSA-N 1 0 341.415 2.936 10 5 EFBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000172306354 239167022 /nfs/dbraw/zinc/16/70/22/239167022.db2.gz HRNMJSCVBONMBZ-INIZCTEOSA-N 1 0 349.434 2.791 10 5 EFBERO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000229339135 242157081 /nfs/dbraw/zinc/15/70/81/242157081.db2.gz QTGDPSDIACEXHL-MSOLQXFVSA-N 1 0 344.415 2.606 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412136984 243163042 /nfs/dbraw/zinc/16/30/42/243163042.db2.gz VQZZLWYIUKZOAZ-OSMBCOQSSA-N 1 0 331.416 2.639 10 5 EFBERO CNc1ccc(C[NH2+]CC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000069653342 203031484 /nfs/dbraw/zinc/03/14/84/203031484.db2.gz QLQCNJCRNIXFHA-QHCPKHFHSA-N 1 0 333.413 2.534 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000413502287 243703946 /nfs/dbraw/zinc/70/39/46/243703946.db2.gz MYWWQYYVEAAKPZ-RUGDWHBFSA-N 1 0 345.443 2.887 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414519417 244207676 /nfs/dbraw/zinc/20/76/76/244207676.db2.gz BCBFDSCEJURGBI-LBPRGKRZSA-N 1 0 336.388 2.767 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000414659393 244279945 /nfs/dbraw/zinc/27/99/45/244279945.db2.gz MUTXMDGJSGJBTB-UHFFFAOYSA-N 1 0 343.387 2.600 10 5 EFBERO CNc1ccc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000075126699 203305058 /nfs/dbraw/zinc/30/50/58/203305058.db2.gz LNAXCTARZNJUAQ-UHFFFAOYSA-N 1 0 332.335 2.504 10 5 EFBERO CNc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000075126333 203305166 /nfs/dbraw/zinc/30/51/66/203305166.db2.gz PXTBKOOIZYRXDT-UHFFFAOYSA-N 1 0 345.399 2.986 10 5 EFBERO Cc1ccc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)nn1 ZINC000105801602 204159712 /nfs/dbraw/zinc/15/97/12/204159712.db2.gz RHELUUUYXPAFEP-UHFFFAOYSA-N 1 0 341.415 2.714 10 5 EFBERO Cc1c(C[NH+]2CCC(Nc3cccnn3)CC2)cccc1[N+](=O)[O-] ZINC000105805673 204163136 /nfs/dbraw/zinc/16/31/36/204163136.db2.gz IKZMWWHXWFBSMU-UHFFFAOYSA-N 1 0 327.388 2.770 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107530232 204240938 /nfs/dbraw/zinc/24/09/38/204240938.db2.gz TWHZYWSNZVVNGN-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111318351 204349900 /nfs/dbraw/zinc/34/99/00/204349900.db2.gz ZIWSGGBXLYDKLE-ZEIJEMSESA-N 1 0 344.371 2.694 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000111399585 204355565 /nfs/dbraw/zinc/35/55/65/204355565.db2.gz AXKVHPKBSLMSPS-SNVBAGLBSA-N 1 0 337.763 2.636 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000126534890 205060351 /nfs/dbraw/zinc/06/03/51/205060351.db2.gz LNLDFUQJUDDKAT-SNVBAGLBSA-N 1 0 345.321 2.685 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](C4CC4)CC3)cs2)c1 ZINC000127879640 205121940 /nfs/dbraw/zinc/12/19/40/205121940.db2.gz XLNOLCCFUDIHFE-UHFFFAOYSA-N 1 0 344.440 2.998 10 5 EFBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000128224763 205138297 /nfs/dbraw/zinc/13/82/97/205138297.db2.gz WCBLUHVTOQBNIL-QGZVFWFLSA-N 1 0 345.399 2.617 10 5 EFBERO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000128225051 205138564 /nfs/dbraw/zinc/13/85/64/205138564.db2.gz WCBLUHVTOQBNIL-KRWDZBQOSA-N 1 0 345.399 2.617 10 5 EFBERO CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000245776750 205155890 /nfs/dbraw/zinc/15/58/90/205155890.db2.gz SUIDUBCXRVWDFZ-HNAYVOBHSA-N 1 0 347.459 2.871 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000130262601 205230702 /nfs/dbraw/zinc/23/07/02/205230702.db2.gz FQODQPDFDBSTOY-CZUORRHYSA-N 1 0 334.420 2.639 10 5 EFBERO CNc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131554094 205294754 /nfs/dbraw/zinc/29/47/54/205294754.db2.gz XRMWXNPLQKAUEX-INIZCTEOSA-N 1 0 346.431 2.660 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132731717 205338338 /nfs/dbraw/zinc/33/83/38/205338338.db2.gz UCAIVBHGPZBGSH-CQSZACIVSA-N 1 0 348.447 2.999 10 5 EFBERO Cc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000425376645 247065934 /nfs/dbraw/zinc/06/59/34/247065934.db2.gz YGTXKDORQQWATN-SFHVURJKSA-N 1 0 348.443 2.951 10 5 EFBERO C[NH+](C)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425400735 247072050 /nfs/dbraw/zinc/07/20/50/247072050.db2.gz DFAVPIYNJQMSLL-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425541455 247127221 /nfs/dbraw/zinc/12/72/21/247127221.db2.gz MQXQYTYDSAJRJS-SFHVURJKSA-N 1 0 348.443 2.685 10 5 EFBERO CCOC(=O)CC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000434621862 248171167 /nfs/dbraw/zinc/17/11/67/248171167.db2.gz XXAPCZKEQPZAMH-UHFFFAOYSA-N 1 0 336.388 2.829 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266276759 248217279 /nfs/dbraw/zinc/21/72/79/248217279.db2.gz CSSQKGCLCFIYBJ-UHFFFAOYSA-N 1 0 333.310 2.685 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170970055 206641511 /nfs/dbraw/zinc/64/15/11/206641511.db2.gz XKRWYFQCOMKVQB-LLVKDONJSA-N 1 0 333.413 2.881 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441214035 250008993 /nfs/dbraw/zinc/00/89/93/250008993.db2.gz WXDVBUXYAMLUCP-HUUCEWRRSA-N 1 0 347.415 2.590 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441274770 250012788 /nfs/dbraw/zinc/01/27/88/250012788.db2.gz GALQIEGYWUZACB-HUUCEWRRSA-N 1 0 347.415 2.590 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000441285893 250015175 /nfs/dbraw/zinc/01/51/75/250015175.db2.gz ZKVZUYTZNMMJMO-GJZGRUSLSA-N 1 0 347.415 2.672 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000441285896 250016033 /nfs/dbraw/zinc/01/60/33/250016033.db2.gz ZKVZUYTZNMMJMO-LSDHHAIUSA-N 1 0 347.415 2.672 10 5 EFBERO C[NH+](C)C1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000444854708 250357794 /nfs/dbraw/zinc/35/77/94/250357794.db2.gz WIKUXRIWORVVHY-UHFFFAOYSA-N 1 0 349.434 2.848 10 5 EFBERO CC(C)(C)[NH2+]CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005530 250373414 /nfs/dbraw/zinc/37/34/14/250373414.db2.gz RVTQCPOWBYSNDC-UHFFFAOYSA-N 1 0 337.423 2.799 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153676431 296311825 /nfs/dbraw/zinc/31/18/25/296311825.db2.gz OKCLJCHRJBYAEL-CYBMUJFWSA-N 1 0 344.415 2.609 10 5 EFBERO COC[C@](C)(O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449383305 251004622 /nfs/dbraw/zinc/00/46/22/251004622.db2.gz GKNXCQNYJXHNBS-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000174986554 207079899 /nfs/dbraw/zinc/07/98/99/207079899.db2.gz KQYQPWFPABCBTP-CABCVRRESA-N 1 0 331.416 2.991 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000175239958 207106469 /nfs/dbraw/zinc/10/64/69/207106469.db2.gz ZGNPFQFUDIWXAA-ZDUSSCGKSA-N 1 0 330.388 2.717 10 5 EFBERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679064 251113557 /nfs/dbraw/zinc/11/35/57/251113557.db2.gz QULGHDCWCNCCCC-BBRMVZONSA-N 1 0 346.383 2.827 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175361654 207120587 /nfs/dbraw/zinc/12/05/87/207120587.db2.gz ICEKBHAKROOAAI-OAHLLOKOSA-N 1 0 345.403 2.561 10 5 EFBERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000175736509 207155066 /nfs/dbraw/zinc/15/50/66/207155066.db2.gz WQHPDHLESMXZFC-OHRKKDJYSA-N 1 0 346.431 2.970 10 5 EFBERO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450436876 251386883 /nfs/dbraw/zinc/38/68/83/251386883.db2.gz RVCFPJTWAFGTCU-CHWSQXEVSA-N 1 0 343.431 2.958 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176726247 207254648 /nfs/dbraw/zinc/25/46/48/207254648.db2.gz HMQQBLBIRRUDHL-GDBMZVCRSA-N 1 0 346.431 2.844 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177024245 207283744 /nfs/dbraw/zinc/28/37/44/207283744.db2.gz CBBWTCXJHPMQQZ-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000177496796 207344295 /nfs/dbraw/zinc/34/42/95/207344295.db2.gz REDNAJYMMKOGTM-HUUCEWRRSA-N 1 0 332.404 2.994 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000452097327 251784704 /nfs/dbraw/zinc/78/47/04/251784704.db2.gz QBDZJTYFLMJIEI-UHFFFAOYSA-N 1 0 348.447 2.696 10 5 EFBERO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268588812 252047792 /nfs/dbraw/zinc/04/77/92/252047792.db2.gz RVFVEIYSNARMPA-MRXNPFEDSA-N 1 0 339.395 2.941 10 5 EFBERO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268631368 252084491 /nfs/dbraw/zinc/08/44/91/252084491.db2.gz ZYWZXTHXEADBCS-GOSISDBHSA-N 1 0 339.395 2.941 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])CN1 ZINC000378322936 296348637 /nfs/dbraw/zinc/34/86/37/296348637.db2.gz YILVZTLPAVQDGJ-JSGCOSHPSA-N 1 0 337.807 2.739 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc2ccccn21)C1CC1 ZINC000183824997 285161431 /nfs/dbraw/zinc/16/14/31/285161431.db2.gz GOSGYFWJBZVVPU-OAHLLOKOSA-N 1 0 337.383 2.748 10 5 EFBERO COc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000105876578 141356347 /nfs/dbraw/zinc/35/63/47/141356347.db2.gz UPILBSAKTMBHSK-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247113605 141384771 /nfs/dbraw/zinc/38/47/71/141384771.db2.gz FCPDZUCRTGGTDG-JQWIXIFHSA-N 1 0 338.795 2.949 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000303955663 141437639 /nfs/dbraw/zinc/43/76/39/141437639.db2.gz XDASBWFYVQPPQC-MRXNPFEDSA-N 1 0 334.416 2.991 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000344443276 142017620 /nfs/dbraw/zinc/01/76/20/142017620.db2.gz TZEVXPDGEBFAJI-INIZCTEOSA-N 1 0 326.400 2.966 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000344554323 142039297 /nfs/dbraw/zinc/03/92/97/142039297.db2.gz XSBQCNRZRGFDGG-JGGQBBKZSA-N 1 0 331.416 2.817 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000344554325 142039333 /nfs/dbraw/zinc/03/93/33/142039333.db2.gz XSBQCNRZRGFDGG-XPKDYRNWSA-N 1 0 331.416 2.817 10 5 EFBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346174822 142161107 /nfs/dbraw/zinc/16/11/07/142161107.db2.gz VKHBWGWFOQIXRT-OAHLLOKOSA-N 1 0 342.399 2.707 10 5 EFBERO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1O ZINC000347865863 142284443 /nfs/dbraw/zinc/28/44/43/142284443.db2.gz ZWWFMCNAFASZNS-HNNXBMFYSA-N 1 0 342.399 2.999 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccsc1 ZINC000349316293 142319843 /nfs/dbraw/zinc/31/98/43/142319843.db2.gz WMVFENZSDYKOOJ-ABAIWWIYSA-N 1 0 349.412 2.697 10 5 EFBERO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000338290324 144642355 /nfs/dbraw/zinc/64/23/55/144642355.db2.gz RIYLANJZQBGMMF-LBPRGKRZSA-N 1 0 339.351 2.542 10 5 EFBERO CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000341173510 145005787 /nfs/dbraw/zinc/00/57/87/145005787.db2.gz VDBCZEYTGSJXOB-WFASDCNBSA-N 1 0 348.790 2.752 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000343763549 145288683 /nfs/dbraw/zinc/28/86/83/145288683.db2.gz VWSFRCBBZWQROA-RKVPGOIHSA-N 1 0 334.416 2.847 10 5 EFBERO [NH3+]CCN(Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1[N+](=O)[O-] ZINC000348906640 146022172 /nfs/dbraw/zinc/02/21/72/146022172.db2.gz URZQBROKQSJHKQ-UHFFFAOYSA-N 1 0 327.344 2.543 10 5 EFBERO [NH3+]CCN(Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000348918837 146024605 /nfs/dbraw/zinc/02/46/05/146024605.db2.gz CRNYPDAPBLKDGT-UHFFFAOYSA-N 1 0 337.383 2.950 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000352031305 146270450 /nfs/dbraw/zinc/27/04/50/146270450.db2.gz DKLUULODCPERSW-HNNXBMFYSA-N 1 0 349.412 2.617 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)CN(Cc1nccn1Cc1ccccc1)CC2 ZINC000352999249 146370125 /nfs/dbraw/zinc/37/01/25/146370125.db2.gz UVUJSEMYQPYOHB-UHFFFAOYSA-N 1 0 349.394 2.793 10 5 EFBERO COc1cccc(CCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000353033317 146381147 /nfs/dbraw/zinc/38/11/47/146381147.db2.gz NCJUVFNSEKENAM-UHFFFAOYSA-N 1 0 327.384 2.989 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000355606533 147011217 /nfs/dbraw/zinc/01/12/17/147011217.db2.gz LJOABALTMWBHJH-ZDUSSCGKSA-N 1 0 336.388 2.769 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356340734 147217295 /nfs/dbraw/zinc/21/72/95/147217295.db2.gz PDFJKPYOFXNJEW-XJKSGUPXSA-N 1 0 333.432 2.814 10 5 EFBERO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356741903 147324712 /nfs/dbraw/zinc/32/47/12/147324712.db2.gz LKSDBIGDJPHVDX-LBPRGKRZSA-N 1 0 327.331 2.869 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000359849472 148207495 /nfs/dbraw/zinc/20/74/95/148207495.db2.gz IWBFHGSORNGNQK-AWEZNQCLSA-N 1 0 333.344 2.689 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000363790552 149012970 /nfs/dbraw/zinc/01/29/70/149012970.db2.gz ALPCQGFSUABSCQ-AWEZNQCLSA-N 1 0 347.415 2.733 10 5 EFBERO [NH3+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000364872650 149264609 /nfs/dbraw/zinc/26/46/09/149264609.db2.gz PJKBMDSPWCAXIV-UHFFFAOYSA-N 1 0 335.404 2.532 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365821344 149488337 /nfs/dbraw/zinc/48/83/37/149488337.db2.gz QCGLXSZDFKDILL-CYBMUJFWSA-N 1 0 328.372 2.989 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCCOC4)n2)c1 ZINC000368500504 150134468 /nfs/dbraw/zinc/13/44/68/150134468.db2.gz XHJNGJVXQKAGJU-KRWDZBQOSA-N 1 0 344.371 2.647 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000368679703 150181049 /nfs/dbraw/zinc/18/10/49/150181049.db2.gz FPRJRNZGEJWUDD-UHFFFAOYSA-N 1 0 327.388 2.512 10 5 EFBERO CCN1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3C)sc2C1 ZINC000368866451 150224727 /nfs/dbraw/zinc/22/47/27/150224727.db2.gz NYXFOWBMWBJJFO-UHFFFAOYSA-N 1 0 346.412 2.990 10 5 EFBERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370525663 150613305 /nfs/dbraw/zinc/61/33/05/150613305.db2.gz ZQOFRBOCELUTLM-HNNXBMFYSA-N 1 0 346.431 2.574 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000371019668 150713538 /nfs/dbraw/zinc/71/35/38/150713538.db2.gz TXVZKVGQFIKGIE-DOMZBBRYSA-N 1 0 349.456 2.921 10 5 EFBERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374012914 151268180 /nfs/dbraw/zinc/26/81/80/151268180.db2.gz GKXMGZHTYPRVPI-RVKKMQEKSA-N 1 0 334.416 2.796 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374553497 151368035 /nfs/dbraw/zinc/36/80/35/151368035.db2.gz ZWRRIQSQUTXNQV-GFCCVEGCSA-N 1 0 332.326 2.846 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378424525 152081531 /nfs/dbraw/zinc/08/15/31/152081531.db2.gz NALWRTOJNAZOGK-DOMZBBRYSA-N 1 0 326.780 2.676 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000407997929 152142162 /nfs/dbraw/zinc/14/21/62/152142162.db2.gz YQDOUQVCYRFWPK-SJPCQFCGSA-N 1 0 344.459 2.650 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261804616 286512379 /nfs/dbraw/zinc/51/23/79/286512379.db2.gz RFGZCZOAARPOPZ-KRWDZBQOSA-N 1 0 345.374 2.889 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123968348 222359104 /nfs/dbraw/zinc/35/91/04/222359104.db2.gz ODIJUXGRFMDPIS-AAEUAGOBSA-N 1 0 339.823 2.732 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184266414 265013751 /nfs/dbraw/zinc/01/37/51/265013751.db2.gz IBWXLRUOFQEHLF-UONOGXRCSA-N 1 0 337.395 2.801 10 5 EFBERO CO[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190950077 265245097 /nfs/dbraw/zinc/24/50/97/265245097.db2.gz CYMTXNDZTFURGD-ZBFHGGJFSA-N 1 0 330.388 2.652 10 5 EFBERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000191214298 265255562 /nfs/dbraw/zinc/25/55/62/265255562.db2.gz FTFJJRGOYCFMHV-COXVUDFISA-N 1 0 348.399 2.637 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194191108 265366022 /nfs/dbraw/zinc/36/60/22/265366022.db2.gz OBNQFMPSVWKMKK-OAHLLOKOSA-N 1 0 336.436 2.713 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000194633892 265378735 /nfs/dbraw/zinc/37/87/35/265378735.db2.gz ZTQDWMYAAHPSBU-CHWSQXEVSA-N 1 0 337.445 2.676 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000271074585 265895547 /nfs/dbraw/zinc/89/55/47/265895547.db2.gz GCLUALJZPWRWBN-QWHCGFSZSA-N 1 0 335.433 2.735 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)no1 ZINC000271531760 266001658 /nfs/dbraw/zinc/00/16/58/266001658.db2.gz WXKHFGZMHUWVDB-GFCCVEGCSA-N 1 0 336.417 2.989 10 5 EFBERO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271803294 266064415 /nfs/dbraw/zinc/06/44/15/266064415.db2.gz WYGKPUXVAKDSEU-HUUCEWRRSA-N 1 0 330.384 2.994 10 5 EFBERO Cc1cc(N2CCN(CC(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272801228 266385801 /nfs/dbraw/zinc/38/58/01/266385801.db2.gz DYAZJCSQDFVLPW-UHFFFAOYSA-N 1 0 336.342 2.839 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000276544494 267009916 /nfs/dbraw/zinc/00/99/16/267009916.db2.gz GSSQYELDRVQCFX-JQWIXIFHSA-N 1 0 337.807 2.912 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000276544490 267009994 /nfs/dbraw/zinc/00/99/94/267009994.db2.gz GSSQYELDRVQCFX-CMPLNLGQSA-N 1 0 337.807 2.912 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000276544500 267010630 /nfs/dbraw/zinc/01/06/30/267010630.db2.gz GSSQYELDRVQCFX-ZYHUDNBSSA-N 1 0 337.807 2.912 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578272 267202655 /nfs/dbraw/zinc/20/26/55/267202655.db2.gz VPJCBOYRIRCROI-NRUUGDAUSA-N 1 0 341.795 2.590 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277592911 267206700 /nfs/dbraw/zinc/20/67/00/267206700.db2.gz WXZHHYIBYCMCDO-SUNKGSAMSA-N 1 0 332.360 2.720 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000277641023 267220712 /nfs/dbraw/zinc/22/07/12/267220712.db2.gz TYZZFMLRXJLOKO-HIFRSBDPSA-N 1 0 347.415 2.691 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000278607598 267497323 /nfs/dbraw/zinc/49/73/23/267497323.db2.gz ZWAGQBPTSODBKT-YVEFUNNKSA-N 1 0 341.415 2.924 10 5 EFBERO COC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000268841192 274000206 /nfs/dbraw/zinc/00/02/06/274000206.db2.gz OPJMSHJGPLBHFJ-CZUORRHYSA-N 1 0 347.415 2.610 10 5 EFBERO C[C@@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCCC1 ZINC000286755931 274266789 /nfs/dbraw/zinc/26/67/89/274266789.db2.gz HEVKIKARMSKSLT-LBPRGKRZSA-N 1 0 345.403 2.920 10 5 EFBERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287227674 274372752 /nfs/dbraw/zinc/37/27/52/274372752.db2.gz QLSHHHFHKPSERS-PXAZEXFGSA-N 1 0 342.399 2.775 10 5 EFBERO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791798 274384780 /nfs/dbraw/zinc/38/47/80/274384780.db2.gz ZVLZQLCXCWDRRO-MGPQQGTHSA-N 1 0 331.416 2.850 10 5 EFBERO O=C1[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177530308 275030580 /nfs/dbraw/zinc/03/05/80/275030580.db2.gz JAEBRDDKCYYILM-CKEIUWERSA-N 1 0 329.400 2.822 10 5 EFBERO CC1(C)C[C@@H]([NH2+]CCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433132093 275860159 /nfs/dbraw/zinc/86/01/59/275860159.db2.gz BGHWQTQOSWJINR-MRXNPFEDSA-N 1 0 331.416 2.919 10 5 EFBERO CCC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000359087171 276049611 /nfs/dbraw/zinc/04/96/11/276049611.db2.gz WWLLSFWYJDCWBX-HNNXBMFYSA-N 1 0 336.436 2.544 10 5 EFBERO CC(C)c1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000180230824 276053253 /nfs/dbraw/zinc/05/32/53/276053253.db2.gz SUIDUBCXRVWDFZ-KXBFYZLASA-N 1 0 347.459 2.871 10 5 EFBERO CC[NH+](CC)CCO[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359099097 276328185 /nfs/dbraw/zinc/32/81/85/276328185.db2.gz NYHJTPAHICVKCW-HNNXBMFYSA-N 1 0 336.436 2.544 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186320372 276362550 /nfs/dbraw/zinc/36/25/50/276362550.db2.gz BPUPVJQIXTUFLL-SJORKVTESA-N 1 0 334.416 2.701 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248049052 277168904 /nfs/dbraw/zinc/16/89/04/277168904.db2.gz NLFXWDOJZHOEAC-DOTOQJQBSA-N 1 0 343.358 2.909 10 5 EFBERO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342291079 278342451 /nfs/dbraw/zinc/34/24/51/278342451.db2.gz FJRRRINPCZOCQL-LLVKDONJSA-N 1 0 346.362 2.996 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261581419 279678990 /nfs/dbraw/zinc/67/89/90/279678990.db2.gz FYVUBJYSJCFMPX-DVVUODLYSA-N 1 0 326.194 2.531 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411905931 279718300 /nfs/dbraw/zinc/71/83/00/279718300.db2.gz CNFWUZLQVTXPOY-CQSZACIVSA-N 1 0 335.404 2.548 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374553498 280383903 /nfs/dbraw/zinc/38/39/03/280383903.db2.gz ZWRRIQSQUTXNQV-LBPRGKRZSA-N 1 0 332.326 2.846 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247037877 281198221 /nfs/dbraw/zinc/19/82/21/281198221.db2.gz UZQVYBIQEWRFMP-STQMWFEESA-N 1 0 337.807 2.947 10 5 EFBERO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000245407815 281399271 /nfs/dbraw/zinc/39/92/71/281399271.db2.gz CZNLMPIOFVVRMS-CVEARBPZSA-N 1 0 331.416 2.856 10 5 EFBERO O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000131129921 293187595 /nfs/dbraw/zinc/18/75/95/293187595.db2.gz UDEAVWIBKLTFLK-UHFFFAOYSA-N 1 0 349.456 2.571 10 5 EFBERO COc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000291110211 294277985 /nfs/dbraw/zinc/27/79/85/294277985.db2.gz KIDVPDAVXKEQEI-MRXNPFEDSA-N 1 0 339.367 2.754 10 5 EFBERO Cc1sc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000293993555 295095345 /nfs/dbraw/zinc/09/53/45/295095345.db2.gz SQSLZSIBMNBBKQ-UHFFFAOYSA-N 1 0 325.434 2.961 10 5 EFBERO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593246 295191072 /nfs/dbraw/zinc/19/10/72/295191072.db2.gz CWOUWDARPDMZDV-LRDDRELGSA-N 1 0 340.383 2.633 10 5 EFBERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000294912452 295244599 /nfs/dbraw/zinc/24/45/99/295244599.db2.gz AHLQAHIQFJJMLR-AWEZNQCLSA-N 1 0 349.774 2.876 10 5 EFBERO COC(=O)c1cc(C)nc(NCCCc2ncccc2C)c1[N+](=O)[O-] ZINC000295023967 295258953 /nfs/dbraw/zinc/25/89/53/295258953.db2.gz QYLYBFUCIJZGRP-UHFFFAOYSA-N 1 0 344.371 2.833 10 5 EFBERO CCn1ccnc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000295031906 295259657 /nfs/dbraw/zinc/25/96/57/295259657.db2.gz RWYOQXRHDUGQDE-UHFFFAOYSA-N 1 0 343.387 2.659 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295139922 295273513 /nfs/dbraw/zinc/27/35/13/295273513.db2.gz CAIKHPCMGONDJA-ZWNOBZJWSA-N 1 0 332.360 2.863 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295735047 295368230 /nfs/dbraw/zinc/36/82/30/295368230.db2.gz WETRAYHNCWESOK-OFQRWUPVSA-N 1 0 339.395 2.937 10 5 EFBERO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000296377502 295466746 /nfs/dbraw/zinc/46/67/46/295466746.db2.gz KHTLXDZFLDIMRE-GFCCVEGCSA-N 1 0 334.397 2.849 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000162716202 310720742 /nfs/dbraw/zinc/72/07/42/310720742.db2.gz YAJQYIIMLZAYCK-CVEARBPZSA-N 1 0 336.388 2.685 10 5 EFBERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180407923 310798927 /nfs/dbraw/zinc/79/89/27/310798927.db2.gz RYMLIUOWMULEAV-LBPRGKRZSA-N 1 0 329.356 2.893 10 5 EFBERO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000298064158 310953658 /nfs/dbraw/zinc/95/36/58/310953658.db2.gz KKGQQHKPRCODOG-ZDUSSCGKSA-N 1 0 340.374 2.937 10 5 EFBERO Cn1cc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)cn1 ZINC000301307347 311130758 /nfs/dbraw/zinc/13/07/58/311130758.db2.gz ZUYODZRYPOYYFK-INIZCTEOSA-N 1 0 340.387 2.591 10 5 EFBERO COC(=O)c1cc(NCC[N@@H+]2CCC[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000301688402 311152524 /nfs/dbraw/zinc/15/25/24/311152524.db2.gz MOYSEGLBISTLAW-LBPRGKRZSA-N 1 0 335.404 2.834 10 5 EFBERO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301713808 311154242 /nfs/dbraw/zinc/15/42/42/311154242.db2.gz ZELAGBMTNYEQOG-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301879333 311164361 /nfs/dbraw/zinc/16/43/61/311164361.db2.gz ZICPVOQPDQJBAE-KRWDZBQOSA-N 1 0 333.432 2.984 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000302065813 311175813 /nfs/dbraw/zinc/17/58/13/311175813.db2.gz UIJPVKFFHUPWCN-HOCLYGCPSA-N 1 0 331.416 2.540 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)c1 ZINC000302187793 311183436 /nfs/dbraw/zinc/18/34/36/311183436.db2.gz QCEYWNLTUJHIPX-UHFFFAOYSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000302695143 311196940 /nfs/dbraw/zinc/19/69/40/311196940.db2.gz SOVVUYQXQQTUDO-ZDUSSCGKSA-N 1 0 327.812 2.815 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000330897625 311342391 /nfs/dbraw/zinc/34/23/91/311342391.db2.gz MILLMXSJGLNZCB-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414826331 312054790 /nfs/dbraw/zinc/05/47/90/312054790.db2.gz FMMOPTYJCXUMDA-SUMWQHHRSA-N 1 0 342.399 2.602 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3C[NH2+]CCC3(F)F)o2)c1 ZINC000415009978 312076643 /nfs/dbraw/zinc/07/66/43/312076643.db2.gz XXKKURDCNJBXOT-OAHLLOKOSA-N 1 0 337.326 2.942 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[NH2+]CCC3(F)F)o2)c1 ZINC000415009976 312076649 /nfs/dbraw/zinc/07/66/49/312076649.db2.gz XXKKURDCNJBXOT-HNNXBMFYSA-N 1 0 337.326 2.942 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417845425 312280377 /nfs/dbraw/zinc/28/03/77/312280377.db2.gz IKGPEZWVCRXPGI-IUODEOHRSA-N 1 0 332.404 2.500 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423980886 312493966 /nfs/dbraw/zinc/49/39/66/312493966.db2.gz SVTPDKSKVBYIBH-DZGCQCFKSA-N 1 0 347.415 2.516 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423980923 312494228 /nfs/dbraw/zinc/49/42/28/312494228.db2.gz ZBKZTOMMBTVCFT-MRXNPFEDSA-N 1 0 328.372 2.508 10 5 EFBERO COc1cc(C[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000451825511 312826115 /nfs/dbraw/zinc/82/61/15/312826115.db2.gz NYENMXUBPINLPR-CYBMUJFWSA-N 1 0 346.330 2.719 10 5 EFBERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937264 314184587 /nfs/dbraw/zinc/18/45/87/314184587.db2.gz QPUOJZWIKHVJNF-SUMWQHHRSA-N 1 0 336.388 2.815 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494644979 314618320 /nfs/dbraw/zinc/61/83/20/314618320.db2.gz BHPTXILLBIVUIS-CQSZACIVSA-N 1 0 349.412 2.535 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494674030 314622216 /nfs/dbraw/zinc/62/22/16/314622216.db2.gz TTZLTFDCVRDHOL-BXUZGUMPSA-N 1 0 349.412 2.615 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000497515958 315393288 /nfs/dbraw/zinc/39/32/88/315393288.db2.gz PZAKNGRVWNYNDK-CHWSQXEVSA-N 1 0 335.404 2.609 10 5 EFBERO CC[NH2+]CCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000517564390 315768083 /nfs/dbraw/zinc/76/80/83/315768083.db2.gz CEPXKQSWHURHCW-AWEZNQCLSA-N 1 0 348.447 2.561 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000518562504 315819337 /nfs/dbraw/zinc/81/93/37/315819337.db2.gz JNDQVPVFAKSWOD-ONIAQPFYSA-N 1 0 342.399 2.787 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000521263736 316013248 /nfs/dbraw/zinc/01/32/48/316013248.db2.gz VCYQOVOYSOLRFQ-POZPTJLLSA-N 1 0 349.456 2.805 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337633 316154847 /nfs/dbraw/zinc/15/48/47/316154847.db2.gz KCYQBKSISJCDQW-KBPBESRZSA-N 1 0 334.420 2.657 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000524590522 316162268 /nfs/dbraw/zinc/16/22/68/316162268.db2.gz KLTLLWZOBXDYOH-KRWDZBQOSA-N 1 0 346.431 2.755 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531633420 317293824 /nfs/dbraw/zinc/29/38/24/317293824.db2.gz VTXAVBBRDBRNMP-KRWDZBQOSA-N 1 0 342.399 2.803 10 5 EFBERO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531882555 317327762 /nfs/dbraw/zinc/32/77/62/317327762.db2.gz BRTVLDUNBBFTHK-CYBMUJFWSA-N 1 0 342.399 2.849 10 5 EFBERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136973 317360443 /nfs/dbraw/zinc/36/04/43/317360443.db2.gz BWMGROANQYOIPP-UKRRQHHQSA-N 1 0 340.383 2.555 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000539327846 317718140 /nfs/dbraw/zinc/71/81/40/317718140.db2.gz HTZSZNWMORODOY-GJZGRUSLSA-N 1 0 330.384 2.994 10 5 EFBERO COC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702517 317859117 /nfs/dbraw/zinc/85/91/17/317859117.db2.gz YOFUCEPLFQLCBC-QZTJIDSGSA-N 1 0 330.384 2.671 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000549743566 318181299 /nfs/dbraw/zinc/18/12/99/318181299.db2.gz HYVCXOZKJPJMGF-LBPRGKRZSA-N 1 0 330.388 2.536 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000566245066 319051492 /nfs/dbraw/zinc/05/14/92/319051492.db2.gz BQQAFZGNKBFMHP-QGZVFWFLSA-N 1 0 327.384 2.662 10 5 EFBERO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000566850249 319115851 /nfs/dbraw/zinc/11/58/51/319115851.db2.gz CQJSMWCSUXKGCZ-UHFFFAOYSA-N 1 0 343.383 2.894 10 5 EFBERO CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000567692052 319198921 /nfs/dbraw/zinc/19/89/21/319198921.db2.gz NCEDSUQDGBMZBY-UHFFFAOYSA-N 1 0 326.418 2.538 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097792 319444011 /nfs/dbraw/zinc/44/40/11/319444011.db2.gz LETYMMJAJRFCBN-GWCFXTLKSA-N 1 0 343.811 2.573 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn(CC(F)F)c3)c2c1 ZINC000575010151 319916964 /nfs/dbraw/zinc/91/69/64/319916964.db2.gz DNTOKFPZPJJUKI-UHFFFAOYSA-N 1 0 349.341 2.870 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000577590149 320124416 /nfs/dbraw/zinc/12/44/16/320124416.db2.gz HNYJLEPQWBFIJV-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000578754353 320236397 /nfs/dbraw/zinc/23/63/97/320236397.db2.gz ZKTPPAIUNITGBU-BLLLJJGKSA-N 1 0 337.420 2.619 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182940806 323308614 /nfs/dbraw/zinc/30/86/14/323308614.db2.gz CGCYPMJRHSWWTN-UHFFFAOYSA-N 1 0 346.334 2.612 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCn2ccnn2)c2ccccc2)c1 ZINC000184264758 323360668 /nfs/dbraw/zinc/36/06/68/323360668.db2.gz PHYWYGMEPPHREN-GOSISDBHSA-N 1 0 337.383 2.956 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184452548 323364880 /nfs/dbraw/zinc/36/48/80/323364880.db2.gz XQUQRSMVSKSSMT-GXTWGEPZSA-N 1 0 337.395 2.780 10 5 EFBERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185039375 323380708 /nfs/dbraw/zinc/38/07/08/323380708.db2.gz ZIIFCPRMZHHWCY-OCCSQVGLSA-N 1 0 337.401 2.532 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579343124 323936845 /nfs/dbraw/zinc/93/68/45/323936845.db2.gz GZRUODOELBKHDU-GOSISDBHSA-N 1 0 331.416 2.736 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128871634 472506468 /nfs/dbraw/zinc/50/64/68/472506468.db2.gz QIMKHYTVZAATTK-DLBZAZTESA-N 1 0 330.388 2.944 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000137587989 473209189 /nfs/dbraw/zinc/20/91/89/473209189.db2.gz RRMJGHPFKIZGAR-LBPRGKRZSA-N 1 0 337.445 2.778 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124234312 473223027 /nfs/dbraw/zinc/22/30/27/473223027.db2.gz AKOGSLIZMIAQOT-CMPLNLGQSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124572320 473265737 /nfs/dbraw/zinc/26/57/37/473265737.db2.gz YNDLMYCBWJDULQ-ZYHUDNBSSA-N 1 0 325.796 2.803 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290026 /nfs/dbraw/zinc/29/00/26/473290026.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 1 0 340.427 2.944 10 5 EFBERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000150744891 473346086 /nfs/dbraw/zinc/34/60/86/473346086.db2.gz CKGMPPBHIGKCOT-GFCCVEGCSA-N 1 0 349.387 2.917 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185279553 473384618 /nfs/dbraw/zinc/38/46/18/473384618.db2.gz CPMRYXDGXUZTRU-FUHWJXTLSA-N 1 0 345.443 2.860 10 5 EFBERO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000040087762 472027658 /nfs/dbraw/zinc/02/76/58/472027658.db2.gz BCUDJDOSBUYKJE-MRXNPFEDSA-N 1 0 330.384 2.857 10 5 EFBERO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000026156139 472125814 /nfs/dbraw/zinc/12/58/14/472125814.db2.gz VRGKEXKBQUPVOG-UHFFFAOYSA-N 1 0 325.368 2.982 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000075718687 472188446 /nfs/dbraw/zinc/18/84/46/472188446.db2.gz BFKBLJBTCJFVLQ-DLBZAZTESA-N 1 0 346.475 2.758 10 5 EFBERO CCOc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000084805117 472219398 /nfs/dbraw/zinc/21/93/98/472219398.db2.gz ZOZLRYFDMBWBMA-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1sc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068901591 472261626 /nfs/dbraw/zinc/26/16/26/472261626.db2.gz DAFKAIWWCYUSAU-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056347443 472309437 /nfs/dbraw/zinc/30/94/37/472309437.db2.gz MSXITPGEWMPXFC-INIZCTEOSA-N 1 0 342.399 2.889 10 5 EFBERO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000097298210 472489370 /nfs/dbraw/zinc/48/93/70/472489370.db2.gz YWJUCOJADGQECI-FPLPWBNLSA-N 1 0 329.400 2.695 10 5 EFBERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128736310 472491467 /nfs/dbraw/zinc/49/14/67/472491467.db2.gz DPBNQLCNIUXXPJ-DZGCQCFKSA-N 1 0 343.387 2.503 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925932 472547815 /nfs/dbraw/zinc/54/78/15/472547815.db2.gz VTCDSERGGCPBBK-DYVFJYSZSA-N 1 0 344.415 2.835 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058524107 472578474 /nfs/dbraw/zinc/57/84/74/472578474.db2.gz VQWMAYHHPOVHDX-UHFFFAOYSA-N 1 0 349.431 2.554 10 5 EFBERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119812682 472586158 /nfs/dbraw/zinc/58/61/58/472586158.db2.gz OTUADTOBPBEKQR-CYBMUJFWSA-N 1 0 344.415 2.784 10 5 EFBERO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886427 472600332 /nfs/dbraw/zinc/60/03/32/472600332.db2.gz VTUYVCDTEIVEHN-BVBGJJFLSA-N 1 0 347.390 2.834 10 5 EFBERO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409762 472615203 /nfs/dbraw/zinc/61/52/03/472615203.db2.gz GAMFCWHACADWCM-ZBFHGGJFSA-N 1 0 334.420 2.829 10 5 EFBERO Cc1ccc(C[C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550092 472633816 /nfs/dbraw/zinc/63/38/16/472633816.db2.gz HKQGUPFRSAPANI-HNNXBMFYSA-N 1 0 329.400 2.628 10 5 EFBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccco2)C1 ZINC000090551349 472633935 /nfs/dbraw/zinc/63/39/35/472633935.db2.gz CZUOWZAKXKBDAW-HIFRSBDPSA-N 1 0 331.372 2.823 10 5 EFBERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090563038 472636977 /nfs/dbraw/zinc/63/69/77/472636977.db2.gz CYICFDIPQFUSAT-BBRMVZONSA-N 1 0 334.420 2.687 10 5 EFBERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090591910 472641189 /nfs/dbraw/zinc/64/11/89/472641189.db2.gz KERKIAVSPRILCG-CVEARBPZSA-N 1 0 334.420 2.829 10 5 EFBERO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000072286179 472649314 /nfs/dbraw/zinc/64/93/14/472649314.db2.gz AYFLDVMVFUWDAK-GDBMZVCRSA-N 1 0 336.436 2.847 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047142688 472659687 /nfs/dbraw/zinc/65/96/87/472659687.db2.gz HTYYMXAENZNWFT-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000060524369 472663822 /nfs/dbraw/zinc/66/38/22/472663822.db2.gz QGFVPHNGLWRYMJ-LBPRGKRZSA-N 1 0 337.445 2.921 10 5 EFBERO CCC[N@@H+]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000078251423 472681353 /nfs/dbraw/zinc/68/13/53/472681353.db2.gz MAPZRVBXIGIICI-UHFFFAOYSA-N 1 0 348.447 2.655 10 5 EFBERO CCC(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680543 472682672 /nfs/dbraw/zinc/68/26/72/472682672.db2.gz XECLQTNIBXQEOE-HNNXBMFYSA-N 1 0 349.431 2.873 10 5 EFBERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000072877630 472732564 /nfs/dbraw/zinc/73/25/64/472732564.db2.gz GQPBPJCJQDQTQA-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000121026429 472785614 /nfs/dbraw/zinc/78/56/14/472785614.db2.gz LBFYUHDDARFIHQ-MRXNPFEDSA-N 1 0 333.432 2.625 10 5 EFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000105884895 472796125 /nfs/dbraw/zinc/79/61/25/472796125.db2.gz AEFULJGIFGQZAF-OAHLLOKOSA-N 1 0 329.404 2.715 10 5 EFBERO Cc1sc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063723161 472806877 /nfs/dbraw/zinc/80/68/77/472806877.db2.gz XRGWSBSOVYOORO-UHFFFAOYSA-N 1 0 325.434 2.911 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133534188 472815084 /nfs/dbraw/zinc/81/50/84/472815084.db2.gz OJVWFEQSXABDOP-RDGOESDJSA-N 1 0 345.399 2.818 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092649499 472951475 /nfs/dbraw/zinc/95/14/75/472951475.db2.gz LTGBDIKQUQRUDA-CYBMUJFWSA-N 1 0 330.388 2.666 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107522846 472961743 /nfs/dbraw/zinc/96/17/43/472961743.db2.gz QNDCCYCFWUAIDT-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107525688 472962068 /nfs/dbraw/zinc/96/20/68/472962068.db2.gz DWAJENDSYXGOAH-HNNXBMFYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107525689 472962197 /nfs/dbraw/zinc/96/21/97/472962197.db2.gz DWAJENDSYXGOAH-OAHLLOKOSA-N 1 0 347.415 2.694 10 5 EFBERO O=C(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000134840597 472973123 /nfs/dbraw/zinc/97/31/23/472973123.db2.gz LHSQADMWXSKFEE-HNNXBMFYSA-N 1 0 346.362 2.668 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074315733 472985869 /nfs/dbraw/zinc/98/58/69/472985869.db2.gz CQOUPGYVLSTDDA-HNNXBMFYSA-N 1 0 331.416 2.707 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377022 473044212 /nfs/dbraw/zinc/04/42/12/473044212.db2.gz QOOLRDKBVMPSJW-LBPRGKRZSA-N 1 0 346.412 2.542 10 5 EFBERO Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080568820 473048018 /nfs/dbraw/zinc/04/80/18/473048018.db2.gz BESGSVNCWWKBSJ-UHFFFAOYSA-N 1 0 340.855 2.995 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123118278 473098740 /nfs/dbraw/zinc/09/87/40/473098740.db2.gz FTSYRLGCEOWADK-SWLSCSKDSA-N 1 0 346.431 2.724 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000052279805 473099142 /nfs/dbraw/zinc/09/91/42/473099142.db2.gz OOAJVPIWUWIGLL-CGMDNHBQSA-N 1 0 345.399 2.820 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123118670 473099384 /nfs/dbraw/zinc/09/93/84/473099384.db2.gz FTSYRLGCEOWADK-WFASDCNBSA-N 1 0 346.431 2.724 10 5 EFBERO O=[N+]([O-])c1c(NCCCC[NH+]2CCOCC2)ccc2ncccc21 ZINC000052308920 473100764 /nfs/dbraw/zinc/10/07/64/473100764.db2.gz CFHNATUQXSOLRP-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052357532 473101833 /nfs/dbraw/zinc/10/18/33/473101833.db2.gz LYIZOTVPEQZALX-UHFFFAOYSA-N 1 0 334.376 2.815 10 5 EFBERO CCn1cc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000137019520 473191316 /nfs/dbraw/zinc/19/13/16/473191316.db2.gz VURZEJVBCKXEQU-GOSISDBHSA-N 1 0 344.415 2.724 10 5 EFBERO CC(C)c1nc2c(n1C)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052673 473192401 /nfs/dbraw/zinc/19/24/01/473192401.db2.gz RZZXJKIMOPBMCT-KRWDZBQOSA-N 1 0 344.415 2.543 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123853528 473192497 /nfs/dbraw/zinc/19/24/97/473192497.db2.gz LKIUJNGLRQGUNA-RYUDHWBXSA-N 1 0 337.445 2.871 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000161050269 473201589 /nfs/dbraw/zinc/20/15/89/473201589.db2.gz MCXZZCRLIXQAHN-CYBMUJFWSA-N 1 0 346.387 2.750 10 5 EFBERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185323123 473394374 /nfs/dbraw/zinc/39/43/74/473394374.db2.gz PFDAJPJQCUNZDB-GFCCVEGCSA-N 1 0 343.811 2.526 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000185323937 473395332 /nfs/dbraw/zinc/39/53/32/473395332.db2.gz XBKYHDYDZXVMTI-AYYGCFCKSA-N 1 0 331.416 2.846 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171608314 473420913 /nfs/dbraw/zinc/42/09/13/473420913.db2.gz AVNXORYBLADJAJ-GOSISDBHSA-N 1 0 341.411 2.726 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185425317 473423904 /nfs/dbraw/zinc/42/39/04/473423904.db2.gz PPXATGXITUQOEH-NRMKIYEFSA-N 1 0 329.400 2.599 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640915 473427673 /nfs/dbraw/zinc/42/76/73/473427673.db2.gz GWASYGKSKQPWID-OAHLLOKOSA-N 1 0 342.399 2.803 10 5 EFBERO COCCN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282813 473429611 /nfs/dbraw/zinc/42/96/11/473429611.db2.gz MGBMMFWEVIRUEZ-MSOLQXFVSA-N 1 0 347.459 2.616 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151453171 473459429 /nfs/dbraw/zinc/45/94/29/473459429.db2.gz BFZLXHKCRBPFIA-CJNGLKHVSA-N 1 0 338.429 2.748 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654008 473479762 /nfs/dbraw/zinc/47/97/62/473479762.db2.gz VUNNDIKPBVNEKP-IRXDYDNUSA-N 1 0 334.416 2.967 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185653992 473479780 /nfs/dbraw/zinc/47/97/80/473479780.db2.gz VUNNDIKPBVNEKP-DLBZAZTESA-N 1 0 334.416 2.967 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655899 473480763 /nfs/dbraw/zinc/48/07/63/473480763.db2.gz RTBQDDHUYBIOBR-OLZOCXBDSA-N 1 0 326.418 2.720 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000185768752 473509731 /nfs/dbraw/zinc/50/97/31/473509731.db2.gz SANLXZZNUZKMAL-VSOYFRJCSA-N 1 0 329.400 2.695 10 5 EFBERO Cc1c(Br)c(N[C@H](C[NH3+])CC(C)C)ncc1[N+](=O)[O-] ZINC000165822818 473516246 /nfs/dbraw/zinc/51/62/46/473516246.db2.gz CSGUNNTYYVMRLS-VIFPVBQESA-N 1 0 331.214 2.846 10 5 EFBERO Cc1c(Br)c(NC[C@@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000165812866 473516785 /nfs/dbraw/zinc/51/67/85/473516785.db2.gz ZAVDBRZEUFLREX-VIFPVBQESA-N 1 0 329.198 2.615 10 5 EFBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652387 473542025 /nfs/dbraw/zinc/54/20/25/473542025.db2.gz UDMHYYPGMPVMIH-TZMCWYRMSA-N 1 0 329.404 2.975 10 5 EFBERO NC(=O)c1ccc(CN2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186240667 473625230 /nfs/dbraw/zinc/62/52/30/473625230.db2.gz OMCNIQDNSADOIF-UHFFFAOYSA-N 1 0 337.379 2.741 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000127609719 473632339 /nfs/dbraw/zinc/63/23/39/473632339.db2.gz DJZDNRCMEPHKIX-AWEZNQCLSA-N 1 0 332.404 2.914 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153761817 473639605 /nfs/dbraw/zinc/63/96/05/473639605.db2.gz XASMFQJQUPVBOA-RDTXWAMCSA-N 1 0 343.427 2.992 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127806771 473652214 /nfs/dbraw/zinc/65/22/14/473652214.db2.gz OKTQLJFPSBTLRE-IAGOWNOFSA-N 1 0 330.388 2.944 10 5 EFBERO Cc1cc(C)n2c(CN(C)Cc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000179315846 473672879 /nfs/dbraw/zinc/67/28/79/473672879.db2.gz NGOJJGFRXQYVRO-UHFFFAOYSA-N 1 0 325.372 2.886 10 5 EFBERO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(c2ccccn2)CC1 ZINC000192497824 473685728 /nfs/dbraw/zinc/68/57/28/473685728.db2.gz WXHDMAPJBMVVTL-UHFFFAOYSA-N 1 0 330.392 2.596 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186548820 473688641 /nfs/dbraw/zinc/68/86/41/473688641.db2.gz VXXAQERMRQVACD-GFCCVEGCSA-N 1 0 337.807 2.534 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179487916 473690850 /nfs/dbraw/zinc/69/08/50/473690850.db2.gz QHQWSYDJVQWESU-UHFFFAOYSA-N 1 0 331.416 2.830 10 5 EFBERO Cn1c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2sc1=O ZINC000192549982 473691227 /nfs/dbraw/zinc/69/12/27/473691227.db2.gz NUPSCHCRUKVNBT-UHFFFAOYSA-N 1 0 343.408 2.841 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000179545608 473693760 /nfs/dbraw/zinc/69/37/60/473693760.db2.gz KNOHBPINDUEGHA-MRXNPFEDSA-N 1 0 344.440 2.998 10 5 EFBERO Cn1nccc1[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000281398220 473706459 /nfs/dbraw/zinc/70/64/59/473706459.db2.gz NIADPTOOPCFCFO-OAHLLOKOSA-N 1 0 330.388 2.934 10 5 EFBERO Cc1cccc(NC[C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)[nH+]1 ZINC000192787628 473725328 /nfs/dbraw/zinc/72/53/28/473725328.db2.gz GUWYDZUDAOQPHX-ZDUSSCGKSA-N 1 0 327.388 2.819 10 5 EFBERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281479489 473733999 /nfs/dbraw/zinc/73/39/99/473733999.db2.gz SFNUTDOUYZBJEL-DLBZAZTESA-N 1 0 330.388 2.589 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000281568303 473768737 /nfs/dbraw/zinc/76/87/37/473768737.db2.gz MBQKCUUVZXNHLE-GJZGRUSLSA-N 1 0 349.431 2.613 10 5 EFBERO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]2C1 ZINC000193615638 473797338 /nfs/dbraw/zinc/79/73/38/473797338.db2.gz MWPBBKPMQKASSA-TXEJJXNPSA-N 1 0 329.322 2.607 10 5 EFBERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173403566 473827509 /nfs/dbraw/zinc/82/75/09/473827509.db2.gz YSETUKZRDSJKCN-KSSFIOAISA-N 1 0 341.411 2.945 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340318 473833445 /nfs/dbraw/zinc/83/34/45/473833445.db2.gz USJKNQCICVDYKR-AEFFLSMTSA-N 1 0 333.432 2.579 10 5 EFBERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180407941 473871334 /nfs/dbraw/zinc/87/13/34/473871334.db2.gz RYMLIUOWMULEAV-GFCCVEGCSA-N 1 0 329.356 2.893 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414976 473872725 /nfs/dbraw/zinc/87/27/25/473872725.db2.gz ORCUYEBEJQHFHU-YOEHRIQHSA-N 1 0 330.384 2.994 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000246558370 473901262 /nfs/dbraw/zinc/90/12/62/473901262.db2.gz LRVSDNNCTDAHRQ-STQMWFEESA-N 1 0 337.807 2.947 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000263914823 473904305 /nfs/dbraw/zinc/90/43/05/473904305.db2.gz LZPFSTMYZNPLGJ-TZMCWYRMSA-N 1 0 337.445 2.628 10 5 EFBERO CCc1nn(C)c(NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000288324343 473909254 /nfs/dbraw/zinc/90/92/54/473909254.db2.gz DJBKTWQXMFAKKK-UHFFFAOYSA-N 1 0 335.383 2.704 10 5 EFBERO NC(=O)c1coc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723411 473909624 /nfs/dbraw/zinc/90/96/24/473909624.db2.gz GDWCPMVZTMWSEL-WBMJQRKESA-N 1 0 343.383 2.788 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187859500 473932176 /nfs/dbraw/zinc/93/21/76/473932176.db2.gz YFOWZRHTVWGKOC-DOMZBBRYSA-N 1 0 335.404 2.859 10 5 EFBERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868539 473979703 /nfs/dbraw/zinc/97/97/03/473979703.db2.gz RHVFNQADZSSCDX-MLGOLLRUSA-N 1 0 346.383 2.996 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000194939913 473981065 /nfs/dbraw/zinc/98/10/65/473981065.db2.gz SFALOUGUCQRMTR-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105571 473986917 /nfs/dbraw/zinc/98/69/17/473986917.db2.gz WZTMMTSTDOLNEV-YDHLFZDLSA-N 1 0 334.420 2.780 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105530 473987321 /nfs/dbraw/zinc/98/73/21/473987321.db2.gz WZTMMTSTDOLNEV-VNHYZAJKSA-N 1 0 334.420 2.780 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105555 473987474 /nfs/dbraw/zinc/98/74/74/473987474.db2.gz WZTMMTSTDOLNEV-IPYPFGDCSA-N 1 0 334.420 2.780 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000174132160 473990841 /nfs/dbraw/zinc/99/08/41/473990841.db2.gz LHXLPAGHMPMIRL-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CCc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174176970 474001469 /nfs/dbraw/zinc/00/14/69/474001469.db2.gz FISNPSDETRTPMS-UHFFFAOYSA-N 1 0 331.416 2.858 10 5 EFBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Br ZINC000181566505 474049238 /nfs/dbraw/zinc/04/92/38/474049238.db2.gz UAGYTVCKIRIMAW-SNVBAGLBSA-N 1 0 339.193 2.905 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174561219 474062304 /nfs/dbraw/zinc/06/23/04/474062304.db2.gz BUDJCSRTXDPAOY-HNNXBMFYSA-N 1 0 331.416 2.851 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195347003 474062923 /nfs/dbraw/zinc/06/29/23/474062923.db2.gz MFEWRBIALGYMIT-CYBMUJFWSA-N 1 0 346.412 2.530 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247113624 474069057 /nfs/dbraw/zinc/06/90/57/474069057.db2.gz FCPDZUCRTGGTDG-PWSUYJOCSA-N 1 0 338.795 2.949 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275109625 474072979 /nfs/dbraw/zinc/07/29/79/474072979.db2.gz MVISZJIAZXXUPW-JQWIXIFHSA-N 1 0 345.321 2.656 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cn[nH]c1 ZINC000275131614 474079989 /nfs/dbraw/zinc/07/99/89/474079989.db2.gz BYGSJUKXMDZJSW-BDAKNGLRSA-N 1 0 337.767 2.649 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)cc1OC(F)F ZINC000174708862 474084210 /nfs/dbraw/zinc/08/42/10/474084210.db2.gz CJOPFRITJZWLNK-UHFFFAOYSA-N 1 0 327.331 2.871 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247206772 474087420 /nfs/dbraw/zinc/08/74/20/474087420.db2.gz LUEOEPHBISKJQC-PWSUYJOCSA-N 1 0 338.795 2.949 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247380286 474133081 /nfs/dbraw/zinc/13/30/81/474133081.db2.gz LJSJGMJRNGKEHU-ZFWWWQNUSA-N 1 0 349.431 2.796 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000175042173 474136113 /nfs/dbraw/zinc/13/61/13/474136113.db2.gz MHEASXCMXGIACK-LSDHHAIUSA-N 1 0 347.415 2.692 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188645357 474152423 /nfs/dbraw/zinc/15/24/23/474152423.db2.gz MWDNTWNTEHSCJC-UHFFFAOYSA-N 1 0 331.416 2.813 10 5 EFBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188679545 474163775 /nfs/dbraw/zinc/16/37/75/474163775.db2.gz YUVYWRYOXZEGDN-UHFFFAOYSA-N 1 0 331.759 2.781 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000265335719 474178727 /nfs/dbraw/zinc/17/87/27/474178727.db2.gz UKIGTNZTSSKGTC-UHFFFAOYSA-N 1 0 337.376 2.787 10 5 EFBERO O=C(NCCN1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000188758992 474187278 /nfs/dbraw/zinc/18/72/78/474187278.db2.gz SDMURPZJFHAVDJ-UHFFFAOYSA-N 1 0 349.774 2.629 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175436800 474220003 /nfs/dbraw/zinc/22/00/03/474220003.db2.gz LRVSDNNCTDAHRQ-QWHCGFSZSA-N 1 0 337.807 2.947 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247945468 474229519 /nfs/dbraw/zinc/22/95/19/474229519.db2.gz DMCSRXRTLAVSOK-MAUKXSAKSA-N 1 0 348.399 2.588 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248124495 474263303 /nfs/dbraw/zinc/26/33/03/474263303.db2.gz VAHUFRZDWCEOSD-NVXWUHKLSA-N 1 0 325.368 2.770 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182835089 474268107 /nfs/dbraw/zinc/26/81/07/474268107.db2.gz NMVKYIIXOKHCQF-RLFYNMQTSA-N 1 0 333.432 2.617 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275745326 474303253 /nfs/dbraw/zinc/30/32/53/474303253.db2.gz COQNXZXVYVYWCS-WCQYABFASA-N 1 0 339.823 2.969 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000275745327 474303568 /nfs/dbraw/zinc/30/35/68/474303568.db2.gz COQNXZXVYVYWCS-YPMHNXCESA-N 1 0 339.823 2.969 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265739071 474316107 /nfs/dbraw/zinc/31/61/07/474316107.db2.gz BNDIDJCPTMYDRF-CQSZACIVSA-N 1 0 333.432 2.863 10 5 EFBERO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000275850302 474340592 /nfs/dbraw/zinc/34/05/92/474340592.db2.gz HTUBQXHWVPXOPD-UHFFFAOYSA-N 1 0 329.194 2.562 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000248613306 474377694 /nfs/dbraw/zinc/37/76/94/474377694.db2.gz QYNJDVQUJGQRJV-VOORUYIGSA-N 1 0 329.400 2.693 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248614761 474377857 /nfs/dbraw/zinc/37/78/57/474377857.db2.gz IBWXLRUOFQEHLF-KBPBESRZSA-N 1 0 337.395 2.801 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000608906673 480104561 /nfs/dbraw/zinc/10/45/61/480104561.db2.gz CFFJKIGMRAKGEJ-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250175 474421069 /nfs/dbraw/zinc/42/10/69/474421069.db2.gz VMLAPKGGPZZRSJ-HIFRSBDPSA-N 1 0 330.388 2.678 10 5 EFBERO COc1ccc([N+](=O)[O-])c(N2CCCN(Cc3cscn3)CC2)c1 ZINC000266192736 474424087 /nfs/dbraw/zinc/42/40/87/474424087.db2.gz CCAMSSDSSVWOKV-UHFFFAOYSA-N 1 0 348.428 2.772 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183784850 474428267 /nfs/dbraw/zinc/42/82/67/474428267.db2.gz PYXWWAKQZCUIDL-UHFFFAOYSA-N 1 0 342.399 2.581 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249112141 474529261 /nfs/dbraw/zinc/52/92/61/474529261.db2.gz BULLGCQQHRQPKM-WCQYABFASA-N 1 0 337.445 2.775 10 5 EFBERO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000267283497 474636979 /nfs/dbraw/zinc/63/69/79/474636979.db2.gz VUEJAQZXMBNULD-UWVGGRQHSA-N 1 0 343.225 2.671 10 5 EFBERO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000267283499 474637042 /nfs/dbraw/zinc/63/70/42/474637042.db2.gz VUEJAQZXMBNULD-VHSXEESVSA-N 1 0 343.225 2.671 10 5 EFBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284447764 474642104 /nfs/dbraw/zinc/64/21/04/474642104.db2.gz CHFSTOPUNJVKLJ-KGLIPLIRSA-N 1 0 345.321 2.523 10 5 EFBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284447758 474642124 /nfs/dbraw/zinc/64/21/24/474642124.db2.gz CHFSTOPUNJVKLJ-KBPBESRZSA-N 1 0 345.321 2.523 10 5 EFBERO CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000291785463 474686312 /nfs/dbraw/zinc/68/63/12/474686312.db2.gz CWYGASVNYKTNPF-CABCVRRESA-N 1 0 332.429 2.625 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000253309275 474721738 /nfs/dbraw/zinc/72/17/38/474721738.db2.gz BXUSZYOKVMWFRR-GDBMZVCRSA-N 1 0 341.371 2.557 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344626533 474773522 /nfs/dbraw/zinc/77/35/22/474773522.db2.gz YJFIRLVYNPVBDK-CYBMUJFWSA-N 1 0 325.434 2.815 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000255121006 474806246 /nfs/dbraw/zinc/80/62/46/474806246.db2.gz MUGATZJQVJDWPK-LZCIBIBXSA-N 1 0 345.443 2.795 10 5 EFBERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255390196 474848521 /nfs/dbraw/zinc/84/85/21/474848521.db2.gz FDHYIFWPXKNHOX-IOBAAEILSA-N 1 0 333.432 2.651 10 5 EFBERO Cc1sc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341038667 474902701 /nfs/dbraw/zinc/90/27/01/474902701.db2.gz MMQBUYMXTINJDJ-QWRGUYRKSA-N 1 0 325.434 2.957 10 5 EFBERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285137566 474904173 /nfs/dbraw/zinc/90/41/73/474904173.db2.gz LQXSQNFEQYFJGL-NSHDSACASA-N 1 0 348.428 2.709 10 5 EFBERO C[C@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305115 474918334 /nfs/dbraw/zinc/91/83/34/474918334.db2.gz FCSHJOPFFQWQGW-QWRGUYRKSA-N 1 0 346.412 2.997 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062853 474933950 /nfs/dbraw/zinc/93/39/50/474933950.db2.gz QHACWVISJYAAKD-HUUCEWRRSA-N 1 0 349.431 2.743 10 5 EFBERO COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(OC)cc3CC[N@@+]21C ZINC000257465140 474969449 /nfs/dbraw/zinc/96/94/49/474969449.db2.gz KMJDZTDWUQFSHS-QRWLVFNGSA-O 1 0 328.388 2.906 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285379566 474996903 /nfs/dbraw/zinc/99/69/03/474996903.db2.gz CQTWAUACXZPOLV-MRXNPFEDSA-N 1 0 346.431 2.673 10 5 EFBERO CN(C)c1cc[nH+]cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273694327 475017275 /nfs/dbraw/zinc/01/72/75/475017275.db2.gz HNRTWRCCTDULMN-UHFFFAOYSA-N 1 0 348.790 2.682 10 5 EFBERO COc1ccc(CN2C[C@@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000328478685 475030471 /nfs/dbraw/zinc/03/04/71/475030471.db2.gz JOYAGJVQEPBYAF-CQSZACIVSA-N 1 0 327.384 2.741 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261802098 475068468 /nfs/dbraw/zinc/06/84/68/475068468.db2.gz QZPLRWPASVNNKI-CABCVRRESA-N 1 0 329.375 2.908 10 5 EFBERO O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000287536665 475187842 /nfs/dbraw/zinc/18/78/42/475187842.db2.gz VSXRFDQQRBSQNF-AWEZNQCLSA-N 1 0 346.391 2.669 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378867 475233861 /nfs/dbraw/zinc/23/38/61/475233861.db2.gz MUZZLORCOSJQHQ-MRXNPFEDSA-N 1 0 348.447 2.696 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000361201140 475265783 /nfs/dbraw/zinc/26/57/83/475265783.db2.gz NHJPENXUCDIYJK-WBVHZDCISA-N 1 0 333.432 2.716 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354326 480152762 /nfs/dbraw/zinc/15/27/62/480152762.db2.gz VCRXHNUWWDWABU-TXEJJXNPSA-N 1 0 345.403 2.918 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000339600729 475338047 /nfs/dbraw/zinc/33/80/47/475338047.db2.gz YZKVPPDEPJSXHZ-KWVDBSNXSA-N 1 0 342.399 2.813 10 5 EFBERO CNC(=O)CCOC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352546546 475400467 /nfs/dbraw/zinc/40/04/67/475400467.db2.gz WSDKNPRRCRQHDA-AWEZNQCLSA-N 1 0 349.431 2.581 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2COCCO2)c2ccccc2)c1 ZINC000352567491 475419176 /nfs/dbraw/zinc/41/91/76/475419176.db2.gz LITOSQMGHRPUMF-ZWKOTPCHSA-N 1 0 328.368 2.689 10 5 EFBERO Cc1ccncc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361424424 475438700 /nfs/dbraw/zinc/43/87/00/475438700.db2.gz ZWPDVBVIPBFZSH-UHFFFAOYSA-N 1 0 328.372 2.759 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338018797 475510304 /nfs/dbraw/zinc/51/03/04/475510304.db2.gz YYUXVBCULJIGBF-CVEARBPZSA-N 1 0 338.429 2.537 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338018800 475510911 /nfs/dbraw/zinc/51/09/11/475510911.db2.gz YYUXVBCULJIGBF-HZPDHXFCSA-N 1 0 338.429 2.537 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000338066833 475559721 /nfs/dbraw/zinc/55/97/21/475559721.db2.gz OITBFIRAQHBSNO-LBPRGKRZSA-N 1 0 330.388 2.538 10 5 EFBERO CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358298749 475570926 /nfs/dbraw/zinc/57/09/26/475570926.db2.gz NAMSYULFUIFELL-INIZCTEOSA-N 1 0 340.445 2.850 10 5 EFBERO CC(=O)NC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000342270670 475580836 /nfs/dbraw/zinc/58/08/36/475580836.db2.gz BBWVQFKAAFHEIV-UHFFFAOYSA-N 1 0 325.796 2.785 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000352776298 475612508 /nfs/dbraw/zinc/61/25/08/475612508.db2.gz BPAIOZUMTDNHCQ-XJKSGUPXSA-N 1 0 330.388 2.883 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361642183 475623044 /nfs/dbraw/zinc/62/30/44/475623044.db2.gz HZWQVSMLEJKMMQ-QGZVFWFLSA-N 1 0 327.384 2.604 10 5 EFBERO COc1ccc(F)c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000353227576 475784757 /nfs/dbraw/zinc/78/47/57/475784757.db2.gz HYQVDQKOVARVQU-UHFFFAOYSA-N 1 0 330.319 2.909 10 5 EFBERO CC(C)(CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000340150646 475802562 /nfs/dbraw/zinc/80/25/62/475802562.db2.gz AKRPWFTWHFMXRH-UHFFFAOYSA-N 1 0 326.400 2.661 10 5 EFBERO Cc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000340152345 475804294 /nfs/dbraw/zinc/80/42/94/475804294.db2.gz KQOHQIJRZYXKIM-KRWDZBQOSA-N 1 0 326.400 2.969 10 5 EFBERO CS[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000362016273 475938284 /nfs/dbraw/zinc/93/82/84/475938284.db2.gz PKXUPCJFGFNJIL-CHWSQXEVSA-N 1 0 327.475 2.668 10 5 EFBERO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000353415799 475951243 /nfs/dbraw/zinc/95/12/43/475951243.db2.gz PPDPNRALUQDHER-BZOOQXSSSA-N 1 0 346.431 2.972 10 5 EFBERO CSC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC[NH+](C)CC1 ZINC000355455039 475953528 /nfs/dbraw/zinc/95/35/28/475953528.db2.gz LBXFOAHHZHZHNG-UHFFFAOYSA-N 1 0 343.474 2.522 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440089 476037298 /nfs/dbraw/zinc/03/72/98/476037298.db2.gz NXHMANNVHMBDDC-HUUCEWRRSA-N 1 0 333.392 2.924 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440088 476037869 /nfs/dbraw/zinc/03/78/69/476037869.db2.gz NXHMANNVHMBDDC-GJZGRUSLSA-N 1 0 333.392 2.924 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347017492 476037925 /nfs/dbraw/zinc/03/79/25/476037925.db2.gz OXNAELRBVNAQRE-DOMZBBRYSA-N 1 0 349.456 2.771 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000362242489 476105567 /nfs/dbraw/zinc/10/55/67/476105567.db2.gz IDWUBRQOOIKJBM-AWEZNQCLSA-N 1 0 349.431 2.797 10 5 EFBERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806896 476132401 /nfs/dbraw/zinc/13/24/01/476132401.db2.gz DFPBIZXDXYUIRN-JOYOIKCWSA-N 1 0 329.194 2.872 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340586199 476124905 /nfs/dbraw/zinc/12/49/05/476124905.db2.gz NUVUVGYLZGYQAK-QWHCGFSZSA-N 1 0 335.795 2.839 10 5 EFBERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806898 476133342 /nfs/dbraw/zinc/13/33/42/476133342.db2.gz DFPBIZXDXYUIRN-SKDRFNHKSA-N 1 0 329.194 2.872 10 5 EFBERO COc1cccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1[N+](=O)[O-] ZINC000347187813 476158892 /nfs/dbraw/zinc/15/88/92/476158892.db2.gz YGFJITDEVAGBEH-UHFFFAOYSA-N 1 0 337.295 2.968 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(NC3CCC([NH+]4CCCCC4)CC3)nn21 ZINC000301913062 476182316 /nfs/dbraw/zinc/18/23/16/476182316.db2.gz CLJLYIWJEJXTBN-UHFFFAOYSA-N 1 0 344.419 2.847 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)n1 ZINC000359098204 476185966 /nfs/dbraw/zinc/18/59/66/476185966.db2.gz NFFMFGJJEAKNAC-UHFFFAOYSA-N 1 0 336.436 2.908 10 5 EFBERO CC[NH+](CC)CCO[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359099098 476187598 /nfs/dbraw/zinc/18/75/98/476187598.db2.gz NYHJTPAHICVKCW-OAHLLOKOSA-N 1 0 336.436 2.544 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000302104761 476188183 /nfs/dbraw/zinc/18/81/83/476188183.db2.gz RNBXZNWIIXYUKC-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000302167927 476191823 /nfs/dbraw/zinc/19/18/23/476191823.db2.gz SKDQZCBNZXTKMT-HNNXBMFYSA-N 1 0 327.388 2.851 10 5 EFBERO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000344270901 476203627 /nfs/dbraw/zinc/20/36/27/476203627.db2.gz GGWMSBNHEFCIHH-OAHLLOKOSA-N 1 0 335.379 2.824 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357083634 476216967 /nfs/dbraw/zinc/21/69/67/476216967.db2.gz YZQOPJBOEBEBCB-GOSISDBHSA-N 1 0 347.415 2.816 10 5 EFBERO CSc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000338829669 476219545 /nfs/dbraw/zinc/21/95/45/476219545.db2.gz DOTNUAHZIZLHCL-HNNXBMFYSA-N 1 0 332.429 2.848 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362447010 476258158 /nfs/dbraw/zinc/25/81/58/476258158.db2.gz JVEBWDFQAHYREY-WMLDXEAASA-N 1 0 347.415 2.733 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000362450313 476260478 /nfs/dbraw/zinc/26/04/78/476260478.db2.gz JPDXXEFDGLSBED-HIFRSBDPSA-N 1 0 344.371 2.646 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1cccs1 ZINC000357218580 476293758 /nfs/dbraw/zinc/29/37/58/476293758.db2.gz HYTIKJNHGLZUHT-ABAIWWIYSA-N 1 0 348.428 2.797 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccs1 ZINC000357219234 476294335 /nfs/dbraw/zinc/29/43/35/476294335.db2.gz JOZVDXKZOPMZTQ-NHYWBVRUSA-N 1 0 348.428 2.797 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccs1 ZINC000357219229 476294567 /nfs/dbraw/zinc/29/45/67/476294567.db2.gz JOZVDXKZOPMZTQ-ABAIWWIYSA-N 1 0 348.428 2.797 10 5 EFBERO COc1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000351079587 476333561 /nfs/dbraw/zinc/33/35/61/476333561.db2.gz NVOWRHGDGOYLLG-UHFFFAOYSA-N 1 0 337.295 2.968 10 5 EFBERO CCC[C@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353984434 476347358 /nfs/dbraw/zinc/34/73/58/476347358.db2.gz YTWGOLWUPJSJTB-DOMZBBRYSA-N 1 0 340.445 2.991 10 5 EFBERO CNC(=O)C[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360772292 476377999 /nfs/dbraw/zinc/37/79/99/476377999.db2.gz LZSPJWYKWDTEEL-INIZCTEOSA-N 1 0 327.384 2.870 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])CN1 ZINC000360808535 476401955 /nfs/dbraw/zinc/40/19/55/476401955.db2.gz DQHDFBZDCOHPRR-MCXNIAKKSA-N 1 0 329.400 2.599 10 5 EFBERO CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360900642 476465501 /nfs/dbraw/zinc/46/55/01/476465501.db2.gz NSLRPOFROQQILV-LBPRGKRZSA-N 1 0 345.403 2.852 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000354166967 476475818 /nfs/dbraw/zinc/47/58/18/476475818.db2.gz VLHBLLKXAIYBEN-MRXNPFEDSA-N 1 0 332.404 2.607 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351633317 476486017 /nfs/dbraw/zinc/48/60/17/476486017.db2.gz XCJDZXNNWFUNLA-CQSZACIVSA-N 1 0 339.823 2.781 10 5 EFBERO CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000369767115 476514429 /nfs/dbraw/zinc/51/44/29/476514429.db2.gz QEMGSLPXIRBGBO-HZPDHXFCSA-N 1 0 331.416 2.761 10 5 EFBERO CC1(C2CC2)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000352188615 476535775 /nfs/dbraw/zinc/53/57/75/476535775.db2.gz GISIAENYXKSHJA-MRXNPFEDSA-N 1 0 334.416 2.847 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357700304 476546971 /nfs/dbraw/zinc/54/69/71/476546971.db2.gz WNJJUKPAKBFWLA-MRXNPFEDSA-N 1 0 333.432 2.860 10 5 EFBERO CC(C)[NH+]1CCN(c2cccc(Nc3ccncc3[N+](=O)[O-])c2)CC1 ZINC000361072263 476582598 /nfs/dbraw/zinc/58/25/98/476582598.db2.gz CMGCEQIGNZDREB-UHFFFAOYSA-N 1 0 341.415 2.686 10 5 EFBERO CO[C@H](C)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354366081 476614366 /nfs/dbraw/zinc/61/43/66/476614366.db2.gz FZNFTNKWNDNVCZ-CYBMUJFWSA-N 1 0 337.420 2.977 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000357867332 476659425 /nfs/dbraw/zinc/65/94/25/476659425.db2.gz UVKBCKOBKDYDPY-UHFFFAOYSA-N 1 0 349.456 2.820 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429829730 476698108 /nfs/dbraw/zinc/69/81/08/476698108.db2.gz OJSUMAPEEAERFR-AWEZNQCLSA-N 1 0 333.432 2.863 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451901847 476711749 /nfs/dbraw/zinc/71/17/49/476711749.db2.gz NKXDVAMAMVNLBH-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccc(F)cc3)CC2)n1 ZINC000365873014 476743706 /nfs/dbraw/zinc/74/37/06/476743706.db2.gz LGCSFPAYDPFSPG-UHFFFAOYSA-N 1 0 334.351 2.646 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446037566 476810503 /nfs/dbraw/zinc/81/05/03/476810503.db2.gz AETMROCZWWYTCI-UHFFFAOYSA-N 1 0 337.423 2.753 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452096278 476820261 /nfs/dbraw/zinc/82/02/61/476820261.db2.gz YBKOCKIWUYBLFQ-KBPBESRZSA-N 1 0 335.404 2.670 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465606 476854062 /nfs/dbraw/zinc/85/40/62/476854062.db2.gz OWWGSNPNTHRPDY-ZDUSSCGKSA-N 1 0 344.371 2.724 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000370539642 476861918 /nfs/dbraw/zinc/86/19/18/476861918.db2.gz NJAJTOHTMOBUOK-TZMCWYRMSA-N 1 0 333.388 2.729 10 5 EFBERO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423230532 476969407 /nfs/dbraw/zinc/96/94/07/476969407.db2.gz JHGLEGRGVLLJAK-KRWDZBQOSA-N 1 0 341.415 2.963 10 5 EFBERO Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000423233788 476971456 /nfs/dbraw/zinc/97/14/56/476971456.db2.gz OTPLLTJECXWPSF-CQSZACIVSA-N 1 0 341.415 2.881 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCN(c2ccncn2)C1 ZINC000370768181 476976263 /nfs/dbraw/zinc/97/62/63/476976263.db2.gz RLCQNDNQPWFFLE-WUTVXBCWSA-N 1 0 339.399 2.657 10 5 EFBERO COCC[NH2+]CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423329345 476995607 /nfs/dbraw/zinc/99/56/07/476995607.db2.gz LHQUDDLUCYMYKT-SFHVURJKSA-N 1 0 329.400 2.510 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447680282 477035450 /nfs/dbraw/zinc/03/54/50/477035450.db2.gz QOHAOJJJYKDLSD-CYBMUJFWSA-N 1 0 331.420 2.960 10 5 EFBERO CC1CCC(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000371071658 477110658 /nfs/dbraw/zinc/11/06/58/477110658.db2.gz CWSYDGAHFPTPEY-UHFFFAOYSA-N 1 0 336.436 2.851 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411384525 477212777 /nfs/dbraw/zinc/21/27/77/477212777.db2.gz HKZCBMOKDDQUET-CYBMUJFWSA-N 1 0 337.420 2.842 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)C(=O)NC ZINC000453388998 477219006 /nfs/dbraw/zinc/21/90/06/477219006.db2.gz CIURQYCHNAXGDB-NEPJUHHUSA-N 1 0 325.434 2.580 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448761321 477277889 /nfs/dbraw/zinc/27/78/89/477277889.db2.gz IXAOAFWUOJTDLP-JTQLQIEISA-N 1 0 345.321 2.685 10 5 EFBERO C[N@@H+]1CCC[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000458166820 477299126 /nfs/dbraw/zinc/29/91/26/477299126.db2.gz MKJLSFAWUIBKAX-GFCCVEGCSA-N 1 0 330.388 2.538 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCCOC4)n2)cc1 ZINC000367076008 477329354 /nfs/dbraw/zinc/32/93/54/477329354.db2.gz YTZXDDVCEBOEEM-KRWDZBQOSA-N 1 0 344.371 2.647 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)nc1 ZINC000449029842 477399653 /nfs/dbraw/zinc/39/96/53/477399653.db2.gz PYFRHDMBCQCCLD-CYBMUJFWSA-N 1 0 339.355 2.817 10 5 EFBERO COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449383147 477561724 /nfs/dbraw/zinc/56/17/24/477561724.db2.gz FHAMYIDVWYGWMY-YXJHDRRASA-N 1 0 336.432 2.683 10 5 EFBERO Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000425290964 477678027 /nfs/dbraw/zinc/67/80/27/477678027.db2.gz YUBYNRYWMKZCEE-SUMWQHHRSA-N 1 0 326.400 2.982 10 5 EFBERO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456168960 477806251 /nfs/dbraw/zinc/80/62/51/477806251.db2.gz MENWLVJYUPXKON-UHFFFAOYSA-N 1 0 332.404 2.926 10 5 EFBERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438483198 477848547 /nfs/dbraw/zinc/84/85/47/477848547.db2.gz CURNXMZLOYGCMK-QWHCGFSZSA-N 1 0 335.404 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420998841 477887427 /nfs/dbraw/zinc/88/74/27/477887427.db2.gz UIDYFVNOQRFSGW-HNNXBMFYSA-N 1 0 347.415 2.611 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000439113828 477930719 /nfs/dbraw/zinc/93/07/19/477930719.db2.gz ANDWAYFDVDUMHF-ZDUSSCGKSA-N 1 0 332.404 2.648 10 5 EFBERO O=[N+]([O-])c1cccnc1N1CCN(CCc2cccc(F)c2F)CC1 ZINC000459502290 477940372 /nfs/dbraw/zinc/94/03/72/477940372.db2.gz FGADJLCEMVCHHV-UHFFFAOYSA-N 1 0 348.353 2.633 10 5 EFBERO Cn1cnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656646 478026363 /nfs/dbraw/zinc/02/63/63/478026363.db2.gz GZRRTVNAYQEFLW-WMLDXEAASA-N 1 0 328.416 2.872 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494638386 478029961 /nfs/dbraw/zinc/02/99/61/478029961.db2.gz UXGJDEZEDIEWFT-AAEUAGOBSA-N 1 0 349.412 2.615 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494674032 478039276 /nfs/dbraw/zinc/03/92/76/478039276.db2.gz TTZLTFDCVRDHOL-RISCZKNCSA-N 1 0 349.412 2.615 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459771576 478084227 /nfs/dbraw/zinc/08/42/27/478084227.db2.gz NUTXUUZUGOHJSO-UHFFFAOYSA-N 1 0 333.388 2.854 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000518562499 478178472 /nfs/dbraw/zinc/17/84/72/478178472.db2.gz JNDQVPVFAKSWOD-ATLSCFEFSA-N 1 0 342.399 2.787 10 5 EFBERO Cn1cc(C[N@H+](C)C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535080259 478197253 /nfs/dbraw/zinc/19/72/53/478197253.db2.gz OXKSOFSHULEAEI-UHFFFAOYSA-N 1 0 330.388 2.606 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000590658766 478279712 /nfs/dbraw/zinc/27/97/12/478279712.db2.gz DPERUHUHDWNWFT-UHFFFAOYSA-N 1 0 334.397 2.597 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590663906 478281564 /nfs/dbraw/zinc/28/15/64/478281564.db2.gz YVWNBQSAHUZHBZ-ZDUSSCGKSA-N 1 0 336.388 2.630 10 5 EFBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228413 478298556 /nfs/dbraw/zinc/29/85/56/478298556.db2.gz LSVROLFCONKOPY-INIZCTEOSA-N 1 0 331.416 2.661 10 5 EFBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228415 478298584 /nfs/dbraw/zinc/29/85/84/478298584.db2.gz LSVROLFCONKOPY-MRXNPFEDSA-N 1 0 331.416 2.661 10 5 EFBERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600229094 478299133 /nfs/dbraw/zinc/29/91/33/478299133.db2.gz OZCBNUMMASWHDD-HNNXBMFYSA-N 1 0 347.415 2.740 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600472189 478382729 /nfs/dbraw/zinc/38/27/29/478382729.db2.gz MZPDGXPCISQKMF-LBPRGKRZSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510067 478418277 /nfs/dbraw/zinc/41/82/77/478418277.db2.gz OEQQMAYMLIKQNR-ZJOBFFGXSA-N 1 0 333.432 2.669 10 5 EFBERO COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594515354 478420724 /nfs/dbraw/zinc/42/07/24/478420724.db2.gz OLWFTYXYZRSSFJ-UHFFFAOYSA-N 1 0 330.388 2.512 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000594592185 478452355 /nfs/dbraw/zinc/45/23/55/478452355.db2.gz NTRZWVMUCNPESR-OTVXOJSOSA-N 1 0 346.431 2.583 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594591189 478452422 /nfs/dbraw/zinc/45/24/22/478452422.db2.gz GROKFXHSZSUVIT-AOOOYVTPSA-N 1 0 341.795 2.787 10 5 EFBERO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594591251 478452548 /nfs/dbraw/zinc/45/25/48/478452548.db2.gz JFBUTGVTPZCCAO-AKAXFMLLSA-N 1 0 341.415 2.534 10 5 EFBERO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000597703787 478472290 /nfs/dbraw/zinc/47/22/90/478472290.db2.gz KADDJPCHJLOSNU-UHFFFAOYSA-N 1 0 346.431 2.716 10 5 EFBERO [NH3+]C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000600711330 478478379 /nfs/dbraw/zinc/47/83/79/478478379.db2.gz SAMHFEKJUKGUPP-SFHVURJKSA-N 1 0 341.411 2.782 10 5 EFBERO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000594697949 478500691 /nfs/dbraw/zinc/50/06/91/478500691.db2.gz BGTLQKZRIWRDLU-INIZCTEOSA-N 1 0 328.368 2.553 10 5 EFBERO [NH3+]C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCCC1 ZINC000591275797 478505007 /nfs/dbraw/zinc/50/50/07/478505007.db2.gz HDPTWVFOOXDDSF-UHFFFAOYSA-N 1 0 335.404 2.507 10 5 EFBERO COC(=O)c1cc(-c2cccc([C@H]3COCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000600787588 478520580 /nfs/dbraw/zinc/52/05/80/478520580.db2.gz BGDXZEMBMIPXRM-QGZVFWFLSA-N 1 0 342.351 2.709 10 5 EFBERO Cc1ccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)cc1[N+](=O)[O-] ZINC000600790865 478523573 /nfs/dbraw/zinc/52/35/73/478523573.db2.gz MGUVXGKFCFNYFC-UHFFFAOYSA-N 1 0 340.383 2.903 10 5 EFBERO CCC1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000541208708 478540352 /nfs/dbraw/zinc/54/03/52/478540352.db2.gz WWBIYIBLWBNUIF-CYBMUJFWSA-N 1 0 335.404 2.861 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597857597 478543950 /nfs/dbraw/zinc/54/39/50/478543950.db2.gz GIBRCXBZSDFUKN-NSHDSACASA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597857632 478544841 /nfs/dbraw/zinc/54/48/41/478544841.db2.gz HQPXYBSEWKIRSV-HNNXBMFYSA-N 1 0 344.415 2.539 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597858159 478545074 /nfs/dbraw/zinc/54/50/74/478545074.db2.gz KWHMUMQAOOEIJM-AWEZNQCLSA-N 1 0 346.431 2.772 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000597946314 478589780 /nfs/dbraw/zinc/58/97/80/478589780.db2.gz OCJLWWSFPROMLT-WBVHZDCISA-N 1 0 333.432 2.716 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945065 478590948 /nfs/dbraw/zinc/59/09/48/478590948.db2.gz HKSWIBPRWAZYQU-LBPRGKRZSA-N 1 0 345.321 2.780 10 5 EFBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939935 478595907 /nfs/dbraw/zinc/59/59/07/478595907.db2.gz VVMNQLCQKVGRMV-ZEGGKSINSA-N 1 0 346.305 2.901 10 5 EFBERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945287 478599358 /nfs/dbraw/zinc/59/93/58/478599358.db2.gz XUZQJXATOUXEFM-TVYUQYBPSA-N 1 0 326.780 2.578 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn4c3CCC4)c2c1 ZINC000594952972 478602894 /nfs/dbraw/zinc/60/28/94/478602894.db2.gz FZFPJXPMMFACTN-UHFFFAOYSA-N 1 0 325.372 2.551 10 5 EFBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997676 478605210 /nfs/dbraw/zinc/60/52/10/478605210.db2.gz AVPKPUYDZVKGOR-IAGOWNOFSA-N 1 0 343.427 2.760 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966391 478609896 /nfs/dbraw/zinc/60/98/96/478609896.db2.gz RGAAKBRPPFGCPK-DJSGYFEHSA-N 1 0 342.823 2.904 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973884 478614075 /nfs/dbraw/zinc/61/40/75/478614075.db2.gz GABYMTSWHCZHMH-TZMCWYRMSA-N 1 0 340.445 2.774 10 5 EFBERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556043 478629326 /nfs/dbraw/zinc/62/93/26/478629326.db2.gz KJADJFQHBJTWQY-GDBMZVCRSA-N 1 0 331.416 2.643 10 5 EFBERO CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598043781 478630662 /nfs/dbraw/zinc/63/06/62/478630662.db2.gz UZYVWCAQMJUSPL-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000598044187 478630700 /nfs/dbraw/zinc/63/07/00/478630700.db2.gz ZJBFCBARTWSLHV-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048356 478640023 /nfs/dbraw/zinc/64/00/23/478640023.db2.gz KMIIGWUDQQTGLJ-ILXRZTDVSA-N 1 0 335.452 2.737 10 5 EFBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048361 478640461 /nfs/dbraw/zinc/64/04/61/478640461.db2.gz KMIIGWUDQQTGLJ-RBSFLKMASA-N 1 0 335.452 2.737 10 5 EFBERO CO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595059016 478644992 /nfs/dbraw/zinc/64/49/92/478644992.db2.gz FHGHURQXRGHKPN-JCURWCKSSA-N 1 0 334.416 2.958 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000595059915 478645381 /nfs/dbraw/zinc/64/53/81/478645381.db2.gz INUUFYBGOWPDOY-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058958 478645668 /nfs/dbraw/zinc/64/56/68/478645668.db2.gz CZHSJIDLNPSCKP-RVSPLBMKSA-N 1 0 338.404 2.696 10 5 EFBERO C[C@@H]1CC[N@H+](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000571652812 478647471 /nfs/dbraw/zinc/64/74/71/478647471.db2.gz CIAHMXBMGWQSSB-SNVBAGLBSA-N 1 0 345.321 2.572 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595069664 478650101 /nfs/dbraw/zinc/65/01/01/478650101.db2.gz PORIYWZUZBWLDZ-UKRRQHHQSA-N 1 0 326.343 2.930 10 5 EFBERO Cc1ccncc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595075799 478652113 /nfs/dbraw/zinc/65/21/13/478652113.db2.gz YYAYMTWXMNUNRP-CVEARBPZSA-N 1 0 329.404 2.811 10 5 EFBERO Cc1ccncc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595075802 478652899 /nfs/dbraw/zinc/65/28/99/478652899.db2.gz YYAYMTWXMNUNRP-JKSUJKDBSA-N 1 0 329.404 2.811 10 5 EFBERO COc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1F ZINC000595080102 478653736 /nfs/dbraw/zinc/65/37/36/478653736.db2.gz JAVHTMAIMYGHAZ-DGCLKSJQSA-N 1 0 349.366 2.608 10 5 EFBERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595094071 478657967 /nfs/dbraw/zinc/65/79/67/478657967.db2.gz BHEJIZWGVQZQBJ-ZTFGCOKTSA-N 1 0 345.443 2.889 10 5 EFBERO CC[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCC1 ZINC000601104394 478658074 /nfs/dbraw/zinc/65/80/74/478658074.db2.gz VPCZFKNWYJUZHX-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099978 478659220 /nfs/dbraw/zinc/65/92/20/478659220.db2.gz HPTXILOIEOUWQN-GOEBONIOSA-N 1 0 346.431 2.844 10 5 EFBERO CC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102101 478660883 /nfs/dbraw/zinc/66/08/83/478660883.db2.gz JPMLYKNAKUEKEN-AWEZNQCLSA-N 1 0 326.418 2.603 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595102107 478661290 /nfs/dbraw/zinc/66/12/90/478661290.db2.gz JRAAYNWXQACOCR-HNNXBMFYSA-N 1 0 338.429 2.529 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595104910 478661901 /nfs/dbraw/zinc/66/19/01/478661901.db2.gz AATVBOANKMTPRG-ZBFHGGJFSA-N 1 0 344.415 2.822 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601109756 478662334 /nfs/dbraw/zinc/66/23/34/478662334.db2.gz YAXXBLOKOLJWIU-SNVBAGLBSA-N 1 0 349.357 2.879 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595104295 478662477 /nfs/dbraw/zinc/66/24/77/478662477.db2.gz OPKJBGBJPVBKCB-ZBFHGGJFSA-N 1 0 346.431 2.844 10 5 EFBERO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108011 478663009 /nfs/dbraw/zinc/66/30/09/478663009.db2.gz YSEBVDKDDOVIFA-BBRMVZONSA-N 1 0 332.404 2.536 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595109981 478663443 /nfs/dbraw/zinc/66/34/43/478663443.db2.gz YCECLZXEKNESSN-GDBMZVCRSA-N 1 0 344.415 2.822 10 5 EFBERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108013 478663612 /nfs/dbraw/zinc/66/36/12/478663612.db2.gz YSEBVDKDDOVIFA-CZUORRHYSA-N 1 0 332.404 2.536 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@H+](C)C1CCCC1 ZINC000601114620 478664614 /nfs/dbraw/zinc/66/46/14/478664614.db2.gz UNIRKUQZYNPHCC-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120717 478668290 /nfs/dbraw/zinc/66/82/90/478668290.db2.gz MXADGRKPOWPSTH-OAHLLOKOSA-N 1 0 330.363 2.840 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601120614 478669057 /nfs/dbraw/zinc/66/90/57/478669057.db2.gz MFYHIOLRQGUQJO-SNVBAGLBSA-N 1 0 349.357 2.515 10 5 EFBERO CN(CC[C@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601120484 478669291 /nfs/dbraw/zinc/66/92/91/478669291.db2.gz HFSGHLUSVGFHJL-SNVBAGLBSA-N 1 0 349.357 2.658 10 5 EFBERO CC(C)(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591893383 478678575 /nfs/dbraw/zinc/67/85/75/478678575.db2.gz ABDIYEVGROABOV-RHSMWYFYSA-N 1 0 345.443 2.863 10 5 EFBERO C[C@H](C1CC[NH+](C)CC1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601138192 478681422 /nfs/dbraw/zinc/68/14/22/478681422.db2.gz QNYJULDZVFZMLT-SECBINFHSA-N 1 0 349.357 2.514 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H](O)C(F)F)o1 ZINC000601147008 478688062 /nfs/dbraw/zinc/68/80/62/478688062.db2.gz GNIKMEUBMGSVIY-ZDUSSCGKSA-N 1 0 326.299 2.961 10 5 EFBERO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601152517 478691084 /nfs/dbraw/zinc/69/10/84/478691084.db2.gz FGFDNRZVJKXGAF-QGZVFWFLSA-N 1 0 343.427 2.712 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595223780 478692789 /nfs/dbraw/zinc/69/27/89/478692789.db2.gz AOZMRYOIRYJJAB-HUUCEWRRSA-N 1 0 347.415 2.598 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225274 478692928 /nfs/dbraw/zinc/69/29/28/478692928.db2.gz MCWVIBMGAKICIH-DOTOQJQBSA-N 1 0 331.416 2.518 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225276 478693034 /nfs/dbraw/zinc/69/30/34/478693034.db2.gz MCWVIBMGAKICIH-RDJZCZTQSA-N 1 0 331.416 2.518 10 5 EFBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595230871 478695465 /nfs/dbraw/zinc/69/54/65/478695465.db2.gz WBECJSQJIIKMTF-AWEZNQCLSA-N 1 0 332.404 2.838 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000601157790 478695969 /nfs/dbraw/zinc/69/59/69/478695969.db2.gz FPMNSJBISMZLDK-GASCZTMLSA-N 1 0 342.374 2.697 10 5 EFBERO O=[N+]([O-])c1ccc2nccc(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000601157617 478696178 /nfs/dbraw/zinc/69/61/78/478696178.db2.gz BQGGPFQQCUQLPR-UHFFFAOYSA-N 1 0 326.400 2.994 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601163258 478698976 /nfs/dbraw/zinc/69/89/76/478698976.db2.gz FEIZULUAUROPPJ-CQSZACIVSA-N 1 0 333.432 2.863 10 5 EFBERO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc21 ZINC000595254538 478702950 /nfs/dbraw/zinc/70/29/50/478702950.db2.gz ZCBCVTHZLRYEPH-OAHLLOKOSA-N 1 0 339.395 2.903 10 5 EFBERO Cc1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000595258388 478703742 /nfs/dbraw/zinc/70/37/42/478703742.db2.gz UQEZRVYALNGVNV-QGZVFWFLSA-N 1 0 341.367 2.816 10 5 EFBERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1csc([N+](=O)[O-])c1 ZINC000595259244 478706458 /nfs/dbraw/zinc/70/64/58/478706458.db2.gz ZNXMTWDIPBDSRB-ZDUSSCGKSA-N 1 0 333.369 2.570 10 5 EFBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601180935 478709380 /nfs/dbraw/zinc/70/93/80/478709380.db2.gz ZWNMMNQSNIUSOF-HNNXBMFYSA-N 1 0 345.443 2.817 10 5 EFBERO CCC[C@@H]1CN(c2c(OC)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000582917110 478720317 /nfs/dbraw/zinc/72/03/17/478720317.db2.gz ZIEPKFILUFYZMF-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601204494 478722810 /nfs/dbraw/zinc/72/28/10/478722810.db2.gz NZMJJPFBDJIKCF-UHFFFAOYSA-N 1 0 333.432 2.817 10 5 EFBERO C[NH+]1CCC(n2cc(Nc3nc4sccn4c3[N+](=O)[O-])cn2)CC1 ZINC000601224759 478733784 /nfs/dbraw/zinc/73/37/84/478733784.db2.gz AMPCVVRMXMHYKF-UHFFFAOYSA-N 1 0 347.404 2.511 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000591993466 478737366 /nfs/dbraw/zinc/73/73/66/478737366.db2.gz WSHZXUKFJGRILL-UHFFFAOYSA-N 1 0 325.796 2.549 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@@H](C)C1 ZINC000564469336 478748263 /nfs/dbraw/zinc/74/82/63/478748263.db2.gz CZEAGSGRXMZDQF-KBPBESRZSA-N 1 0 336.436 2.944 10 5 EFBERO CO[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373190 478752879 /nfs/dbraw/zinc/75/28/79/478752879.db2.gz XZTXWEHBQDDSKE-HOCLYGCPSA-N 1 0 334.420 2.681 10 5 EFBERO C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[N@@H+]1C1CC1 ZINC000601300028 478773748 /nfs/dbraw/zinc/77/37/48/478773748.db2.gz ULVKXJNTOKWUCE-ZFWWWQNUSA-N 1 0 343.427 2.758 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[N@@H+]1C1CC1 ZINC000601300025 478773790 /nfs/dbraw/zinc/77/37/90/478773790.db2.gz ULVKXJNTOKWUCE-DZGCQCFKSA-N 1 0 343.427 2.758 10 5 EFBERO CCC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601303542 478774277 /nfs/dbraw/zinc/77/42/77/478774277.db2.gz DOJADBOXSICWRB-MRXNPFEDSA-N 1 0 327.388 2.704 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCCO)[C@H]1CC[C@H](O)CC1 ZINC000592130339 478787895 /nfs/dbraw/zinc/78/78/95/478787895.db2.gz CTBGJAWWRUXGFM-QAQDUYKDSA-N 1 0 336.432 2.863 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cccn1)[C@H]1CC[C@H](O)CC1 ZINC000592130288 478788889 /nfs/dbraw/zinc/78/88/89/478788889.db2.gz AGDCPXWSEWHGRB-QAQDUYKDSA-N 1 0 344.415 2.597 10 5 EFBERO CCOc1cc(N2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595465090 478799603 /nfs/dbraw/zinc/79/96/03/478799603.db2.gz NUHHQWYVRVNSRB-GDBMZVCRSA-N 1 0 349.431 2.683 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000601382901 478812188 /nfs/dbraw/zinc/81/21/88/478812188.db2.gz IUQOBQRWJNJZGT-YOEHRIQHSA-N 1 0 343.358 2.909 10 5 EFBERO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ncsc2C1 ZINC000592189873 478820708 /nfs/dbraw/zinc/82/07/08/478820708.db2.gz YMHVNBDVAIFDGK-ZDUSSCGKSA-N 1 0 349.460 2.907 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601413878 478825592 /nfs/dbraw/zinc/82/55/92/478825592.db2.gz KUIYPCDHWZEEJT-UONOGXRCSA-N 1 0 339.823 2.637 10 5 EFBERO CO[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCOC1 ZINC000595520780 478832638 /nfs/dbraw/zinc/83/26/38/478832638.db2.gz DQLQUPGNRYSMLW-SOLBZPMBSA-N 1 0 334.416 2.826 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601468259 478846553 /nfs/dbraw/zinc/84/65/53/478846553.db2.gz MVQQFYNTWNTDFF-HZPDHXFCSA-N 1 0 331.416 2.615 10 5 EFBERO Cc1noc(CN2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595562380 478857655 /nfs/dbraw/zinc/85/76/55/478857655.db2.gz JOQXKJSNKWXBMF-PWSUYJOCSA-N 1 0 339.392 2.691 10 5 EFBERO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1OC(F)F ZINC000592356809 478866999 /nfs/dbraw/zinc/86/69/99/478866999.db2.gz BHIRXETWCBSFSK-MRVPVSSYSA-N 1 0 326.259 2.671 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601559713 478877801 /nfs/dbraw/zinc/87/78/01/478877801.db2.gz VVRGGGRBFYCEEJ-BXUZGUMPSA-N 1 0 335.429 2.531 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592395518 478883745 /nfs/dbraw/zinc/88/37/45/478883745.db2.gz CNXGGUZWUSAVMI-RDTXWAMCSA-N 1 0 336.432 2.683 10 5 EFBERO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425435 478890560 /nfs/dbraw/zinc/89/05/60/478890560.db2.gz COKDTSYRGSVRDA-DZGCQCFKSA-N 1 0 349.431 2.576 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)C1CCC1 ZINC000595617991 478891819 /nfs/dbraw/zinc/89/18/19/478891819.db2.gz VUXLCQYQVSKYQL-GFCCVEGCSA-N 1 0 329.194 2.608 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH2+]C[C@H]3C(F)F)o2)c1 ZINC000592434499 478893769 /nfs/dbraw/zinc/89/37/69/478893769.db2.gz JERHTSGUGBSDBY-AWEZNQCLSA-N 1 0 337.326 2.894 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558884 478893977 /nfs/dbraw/zinc/89/39/77/478893977.db2.gz FWOFSYWBWJCBPB-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)N2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627436 478899037 /nfs/dbraw/zinc/89/90/37/478899037.db2.gz ZCZMYDYJKKBTMQ-ACJLOTCBSA-N 1 0 347.415 2.731 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601620426 478910854 /nfs/dbraw/zinc/91/08/54/478910854.db2.gz ITWMHHUGHYRKDH-KRWDZBQOSA-N 1 0 345.443 2.958 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000592525659 478931848 /nfs/dbraw/zinc/93/18/48/478931848.db2.gz CQNFORXVGCJCLT-ZDUSSCGKSA-N 1 0 348.399 2.772 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680037 478932177 /nfs/dbraw/zinc/93/21/77/478932177.db2.gz GNQYBESNXMTFRC-CQSZACIVSA-N 1 0 347.415 2.875 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680019 478932340 /nfs/dbraw/zinc/93/23/40/478932340.db2.gz GHHQAECEDPWHBG-CQSZACIVSA-N 1 0 347.415 2.875 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595683613 478934001 /nfs/dbraw/zinc/93/40/01/478934001.db2.gz WTONESULEADHPH-CYBMUJFWSA-N 1 0 347.415 2.875 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595687917 478936960 /nfs/dbraw/zinc/93/69/60/478936960.db2.gz FTZPROJLAJACBU-HDICACEKSA-N 1 0 347.415 2.590 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537436 478938210 /nfs/dbraw/zinc/93/82/10/478938210.db2.gz CERCQFWKKHHISH-BBRMVZONSA-N 1 0 349.456 2.678 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572869748 478940746 /nfs/dbraw/zinc/94/07/46/478940746.db2.gz NOUJCIFCPNEXHM-CXAGYDPISA-N 1 0 349.456 2.678 10 5 EFBERO Cc1sc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592567550 478943277 /nfs/dbraw/zinc/94/32/77/478943277.db2.gz RDAUXZADIFLKPM-AWEZNQCLSA-N 1 0 331.397 2.663 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595706763 478950113 /nfs/dbraw/zinc/95/01/13/478950113.db2.gz KHLHHNNKHXWIDR-IYJAJMOOSA-N 1 0 342.395 2.653 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595706764 478950455 /nfs/dbraw/zinc/95/04/55/478950455.db2.gz KHLHHNNKHXWIDR-URKNILKWSA-N 1 0 342.395 2.653 10 5 EFBERO CC(C)c1n[nH]c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601736984 478977174 /nfs/dbraw/zinc/97/71/74/478977174.db2.gz BAQGEKTWEWOYRF-UHFFFAOYSA-N 1 0 349.435 2.532 10 5 EFBERO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595755066 478978674 /nfs/dbraw/zinc/97/86/74/478978674.db2.gz FQABIVOWEQNGPT-ZDUSSCGKSA-N 1 0 335.379 2.556 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000595767790 478985247 /nfs/dbraw/zinc/98/52/47/478985247.db2.gz CTXYSXBNTRMCSO-HZPDHXFCSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000595773975 478989311 /nfs/dbraw/zinc/98/93/11/478989311.db2.gz YQUXBTMFFIZQIV-CVEARBPZSA-N 1 0 344.415 2.708 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000583995167 478989873 /nfs/dbraw/zinc/98/98/73/478989873.db2.gz PCHZYYOENRYVBS-DNXIFWLFSA-N 1 0 339.399 2.975 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595779890 478992733 /nfs/dbraw/zinc/99/27/33/478992733.db2.gz GSCFIEZALMOBEX-CHWSQXEVSA-N 1 0 341.205 2.750 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H](O)C34CCC4)co2)cc1 ZINC000595783684 478995819 /nfs/dbraw/zinc/99/58/19/478995819.db2.gz SXEXKIUORKNEQO-HUUCEWRRSA-N 1 0 329.356 2.643 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601781277 479001325 /nfs/dbraw/zinc/00/13/25/479001325.db2.gz VADGVQKDFRGULQ-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818365 479014778 /nfs/dbraw/zinc/01/47/78/479014778.db2.gz HRWADFYUUKSOAW-VXGQWTEUSA-N 1 0 340.395 2.841 10 5 EFBERO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000595820261 479015690 /nfs/dbraw/zinc/01/56/90/479015690.db2.gz UAONHERGYBNHRJ-OPFPJEHXSA-N 1 0 349.406 2.990 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823781 479017383 /nfs/dbraw/zinc/01/73/83/479017383.db2.gz QYEOHHVYDLKTEF-DZGCQCFKSA-N 1 0 334.420 2.652 10 5 EFBERO O=C(CC[NH+]1CCC(c2ccon2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595828813 479020311 /nfs/dbraw/zinc/02/03/11/479020311.db2.gz NAKJXHIWOLBZDY-UHFFFAOYSA-N 1 0 344.371 2.791 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826966 479021383 /nfs/dbraw/zinc/02/13/83/479021383.db2.gz BMKKQIPVDUBGNC-KWCYVHTRSA-N 1 0 344.371 2.674 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595849321 479031966 /nfs/dbraw/zinc/03/19/66/479031966.db2.gz GKRPZTADLKDDFH-CQSZACIVSA-N 1 0 349.431 2.730 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595870413 479042917 /nfs/dbraw/zinc/04/29/17/479042917.db2.gz BXTHBFIFKDTANI-UHFFFAOYSA-N 1 0 337.420 2.591 10 5 EFBERO CCNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000598856180 479057659 /nfs/dbraw/zinc/05/76/59/479057659.db2.gz VHLFRCOOUCDZQT-ZDUSSCGKSA-N 1 0 334.420 2.629 10 5 EFBERO [NH3+][C@@H]1CCc2ccccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595904123 479061368 /nfs/dbraw/zinc/06/13/68/479061368.db2.gz OVOIDCWZQYASRD-OAHLLOKOSA-N 1 0 327.384 2.754 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595908142 479065151 /nfs/dbraw/zinc/06/51/51/479065151.db2.gz YZNCNJVQPDTUSR-HNNXBMFYSA-N 1 0 341.839 2.791 10 5 EFBERO COCC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000595911470 479066705 /nfs/dbraw/zinc/06/67/05/479066705.db2.gz XACIZFNZYWGGHT-UHFFFAOYSA-N 1 0 335.404 2.781 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595934592 479078830 /nfs/dbraw/zinc/07/88/30/479078830.db2.gz PFULMUHUDWARSI-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595933643 479079518 /nfs/dbraw/zinc/07/95/18/479079518.db2.gz JBZOARHLVNWYPP-ZDUSSCGKSA-N 1 0 337.445 2.817 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595961930 479081358 /nfs/dbraw/zinc/08/13/58/479081358.db2.gz NGFZPIDUUKGPOF-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595961931 479081689 /nfs/dbraw/zinc/08/16/89/479081689.db2.gz NGFZPIDUUKGPOF-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000595967222 479083657 /nfs/dbraw/zinc/08/36/57/479083657.db2.gz OKRUUMLHRPZSJU-RHSMWYFYSA-N 1 0 343.358 2.609 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000598918736 479086668 /nfs/dbraw/zinc/08/66/68/479086668.db2.gz YGYSVZKIVNWTDH-UHFFFAOYSA-N 1 0 327.375 2.970 10 5 EFBERO C[NH+](C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccc1F ZINC000547159110 479091705 /nfs/dbraw/zinc/09/17/05/479091705.db2.gz GLYMFVKUVRNRBQ-UHFFFAOYSA-N 1 0 343.318 2.908 10 5 EFBERO Cc1cc(NCC23CC(C2)C[NH2+]3)c(Br)cc1[N+](=O)[O-] ZINC000596027984 479100692 /nfs/dbraw/zinc/10/06/92/479100692.db2.gz XWBHEHQZBHRLSV-UHFFFAOYSA-N 1 0 326.194 2.830 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000601973663 479102770 /nfs/dbraw/zinc/10/27/70/479102770.db2.gz IIBQDGGDVYJGDW-GFCCVEGCSA-N 1 0 331.372 2.849 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601971646 479102942 /nfs/dbraw/zinc/10/29/42/479102942.db2.gz DGIGIUNHQVJMDO-GFCCVEGCSA-N 1 0 339.823 2.685 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000601975304 479104602 /nfs/dbraw/zinc/10/46/02/479104602.db2.gz NCVZZKJOPQHANF-LBPRGKRZSA-N 1 0 342.399 2.651 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000601974397 479105160 /nfs/dbraw/zinc/10/51/60/479105160.db2.gz IYOSSLXTMJBXBD-CALCHBBNSA-N 1 0 345.424 2.881 10 5 EFBERO C[C@H](O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066450 479116998 /nfs/dbraw/zinc/11/69/98/479116998.db2.gz DHHQDWUSQLJAMY-SCLBCKFNSA-N 1 0 343.383 2.635 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)s1 ZINC000598990340 479117986 /nfs/dbraw/zinc/11/79/86/479117986.db2.gz LARJXBIYEGQSOO-HOTGVXAUSA-N 1 0 348.424 2.953 10 5 EFBERO COC(=O)c1cccc(OCc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000596071919 479120442 /nfs/dbraw/zinc/12/04/42/479120442.db2.gz WIBDBIYHDYJICG-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO COc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599001189 479121686 /nfs/dbraw/zinc/12/16/86/479121686.db2.gz ZTXDBZTXTZRENL-INIZCTEOSA-N 1 0 341.367 2.520 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCCO)CC(C)(C)C)c1 ZINC000593010769 479122490 /nfs/dbraw/zinc/12/24/90/479122490.db2.gz LDNOHMCTBDFUMK-UHFFFAOYSA-N 1 0 338.404 2.612 10 5 EFBERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593014361 479125394 /nfs/dbraw/zinc/12/53/94/479125394.db2.gz JBWXRNWLESBRBF-JKSUJKDBSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596099634 479138701 /nfs/dbraw/zinc/13/87/01/479138701.db2.gz UWWRXFLGFMBVDL-SECBINFHSA-N 1 0 329.784 2.787 10 5 EFBERO COc1ccc(-c2ccc(CN3CC[C@@H](F)[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000596103135 479140833 /nfs/dbraw/zinc/14/08/33/479140833.db2.gz ATTSKEUXFCTKKK-HUUCEWRRSA-N 1 0 349.362 2.735 10 5 EFBERO COc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106032 479142325 /nfs/dbraw/zinc/14/23/25/479142325.db2.gz SCNQVPABYMBQEF-NSHDSACASA-N 1 0 325.796 2.931 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)c2ccccc2)c1 ZINC000599066813 479146015 /nfs/dbraw/zinc/14/60/15/479146015.db2.gz VTFMPPAAINNAFQ-CEXWTWQISA-N 1 0 342.395 2.814 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)c2ccccc2)c1 ZINC000599066814 479146414 /nfs/dbraw/zinc/14/64/14/479146414.db2.gz VTFMPPAAINNAFQ-GBESFXJTSA-N 1 0 342.395 2.814 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599071173 479148770 /nfs/dbraw/zinc/14/87/70/479148770.db2.gz PITFIFJFFWOIMU-AWEZNQCLSA-N 1 0 332.404 2.648 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599074023 479150537 /nfs/dbraw/zinc/15/05/37/479150537.db2.gz JFTKQUHWCJICJA-SWAFEPEESA-N 1 0 335.404 2.713 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCN2C2CCCC2)n1 ZINC000599074470 479150817 /nfs/dbraw/zinc/15/08/17/479150817.db2.gz RQWSEMYLJQOAHM-GVDBMIGSSA-N 1 0 347.463 2.882 10 5 EFBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074544 479151221 /nfs/dbraw/zinc/15/12/21/479151221.db2.gz NGBBSAIPZAHJIQ-WMZOPIPTSA-N 1 0 337.379 2.999 10 5 EFBERO C[N@@H+]1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC000599074068 479151322 /nfs/dbraw/zinc/15/13/22/479151322.db2.gz KEBFOKPQRHMICR-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO Cn1ccnc1[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084654 479154823 /nfs/dbraw/zinc/15/48/23/479154823.db2.gz DQSPVPUNIYWTTQ-HYVNUMGLSA-N 1 0 342.399 2.575 10 5 EFBERO CC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000599085080 479154860 /nfs/dbraw/zinc/15/48/60/479154860.db2.gz LIYGKTMSMZNPRS-YPMHNXCESA-N 1 0 349.412 2.545 10 5 EFBERO CCc1ccc(C[NH+]2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)s1 ZINC000596134279 479156341 /nfs/dbraw/zinc/15/63/41/479156341.db2.gz KQIMGYWAWWSMMF-UHFFFAOYSA-N 1 0 347.444 2.518 10 5 EFBERO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCC1 ZINC000599093688 479158830 /nfs/dbraw/zinc/15/88/30/479158830.db2.gz PVHWAWPRESYMQJ-DLBZAZTESA-N 1 0 329.400 2.715 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000599093867 479158840 /nfs/dbraw/zinc/15/88/40/479158840.db2.gz XJGFTYSEEZFWNL-ZBINZKHDSA-N 1 0 332.360 2.775 10 5 EFBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090573 479167557 /nfs/dbraw/zinc/16/75/57/479167557.db2.gz ACBNEZDNKJCQCP-ZDUSSCGKSA-N 1 0 333.388 2.567 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000584540206 479171157 /nfs/dbraw/zinc/17/11/57/479171157.db2.gz QQKATCQRIZQPQV-CZUORRHYSA-N 1 0 339.399 2.631 10 5 EFBERO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128313 479171782 /nfs/dbraw/zinc/17/17/82/479171782.db2.gz WKECZLONORQWFL-CYBMUJFWSA-N 1 0 332.404 2.513 10 5 EFBERO CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596167398 479175605 /nfs/dbraw/zinc/17/56/05/479175605.db2.gz GNZCWGJLDZNATR-CZUORRHYSA-N 1 0 334.420 2.782 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593104664 479176595 /nfs/dbraw/zinc/17/65/95/479176595.db2.gz HIVFVKLOJDAOBO-UHFFFAOYSA-N 1 0 337.395 2.513 10 5 EFBERO COc1ccc(CN2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000599139936 479177407 /nfs/dbraw/zinc/17/74/07/479177407.db2.gz PITABBMLZSMJMJ-CYBMUJFWSA-N 1 0 346.362 2.824 10 5 EFBERO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599163558 479189615 /nfs/dbraw/zinc/18/96/15/479189615.db2.gz DJUXABYAHNQYQU-MRXNPFEDSA-N 1 0 326.400 2.994 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596232753 479214517 /nfs/dbraw/zinc/21/45/17/479214517.db2.gz FDJVWENMNTVBSU-UHFFFAOYSA-N 1 0 346.431 2.784 10 5 EFBERO CC(C)Oc1nc(N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000596237313 479215954 /nfs/dbraw/zinc/21/59/54/479215954.db2.gz DDCPBXIPIQNKSB-UHFFFAOYSA-N 1 0 334.420 2.699 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602172097 479216064 /nfs/dbraw/zinc/21/60/64/479216064.db2.gz NDGGGHNBHNWYBO-STQMWFEESA-N 1 0 337.445 2.775 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602172093 479216467 /nfs/dbraw/zinc/21/64/67/479216467.db2.gz NDGGGHNBHNWYBO-OLZOCXBDSA-N 1 0 337.445 2.775 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602172161 479216610 /nfs/dbraw/zinc/21/66/10/479216610.db2.gz NSKYDPGRWZKIFZ-ZJIFWQFVSA-N 1 0 331.416 2.543 10 5 EFBERO COC(=O)c1c(Cl)c(N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596246794 479222280 /nfs/dbraw/zinc/22/22/80/479222280.db2.gz ZGZDZCPMDTVAGM-NXEZZACHSA-N 1 0 341.795 2.564 10 5 EFBERO C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C[N@@H+]1C ZINC000593188851 479231082 /nfs/dbraw/zinc/23/10/82/479231082.db2.gz CYXYWDNJDXPAAN-XQQFMLRXSA-N 1 0 344.415 2.558 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593204502 479239188 /nfs/dbraw/zinc/23/91/88/479239188.db2.gz XUFXAABIBKAMTI-UHFFFAOYSA-N 1 0 337.420 2.701 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314336 479250317 /nfs/dbraw/zinc/25/03/17/479250317.db2.gz DLCDHCRCPPTCRI-UHFFFAOYSA-N 1 0 349.431 2.906 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000611104342 479284282 /nfs/dbraw/zinc/28/42/82/479284282.db2.gz QBJIFBOSRLDRPF-MRXNPFEDSA-N 1 0 333.432 2.984 10 5 EFBERO O=[N+]([O-])c1ccccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422885 479289479 /nfs/dbraw/zinc/28/94/79/479289479.db2.gz JDWCHWXSROJZLO-MRXNPFEDSA-N 1 0 327.384 2.774 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CNc3ccccc3C2)n1 ZINC000593319567 479292745 /nfs/dbraw/zinc/29/27/45/479292745.db2.gz NOUVGPQXTYWYBY-HYVNUMGLSA-N 1 0 341.415 2.901 10 5 EFBERO CC[C@H](NC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456928 479302438 /nfs/dbraw/zinc/30/24/38/479302438.db2.gz UZOKCRWXMFILQW-HOTGVXAUSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180117 479304443 /nfs/dbraw/zinc/30/44/43/479304443.db2.gz SCLNYONJYFNBFT-NSHDSACASA-N 1 0 327.331 2.819 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000596517459 479325555 /nfs/dbraw/zinc/32/55/55/479325555.db2.gz IYQIBAGQDXJHBL-UHFFFAOYSA-N 1 0 336.436 2.557 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)OCCO2 ZINC000611273869 479334293 /nfs/dbraw/zinc/33/42/93/479334293.db2.gz UUIJWQHEFDNWFI-SFHVURJKSA-N 1 0 348.399 2.759 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000596564097 479341521 /nfs/dbraw/zinc/34/15/21/479341521.db2.gz CCRSREQVYPOVLX-INIZCTEOSA-N 1 0 344.415 2.690 10 5 EFBERO CCOc1cccc(N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565361 479341851 /nfs/dbraw/zinc/34/18/51/479341851.db2.gz GNNWAZPXAZQQFS-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599597879 479346966 /nfs/dbraw/zinc/34/69/66/479346966.db2.gz ZCQMNXPYCLDKQS-GOSISDBHSA-N 1 0 349.431 2.763 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460010 479351085 /nfs/dbraw/zinc/35/10/85/479351085.db2.gz YXNHTFMDVQFVIS-BETUJISGSA-N 1 0 337.395 2.656 10 5 EFBERO CS[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000593465168 479352576 /nfs/dbraw/zinc/35/25/76/479352576.db2.gz KBSCBUPEUKVVFA-JKSUJKDBSA-N 1 0 332.429 2.625 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626951 479358991 /nfs/dbraw/zinc/35/89/91/479358991.db2.gz SUVYESQDXAOUFK-DRNSDYETSA-N 1 0 341.795 2.588 10 5 EFBERO C[NH+](C)C[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593477923 479359644 /nfs/dbraw/zinc/35/96/44/479359644.db2.gz NBCJGVCWHOJVLZ-CYBMUJFWSA-N 1 0 334.807 2.822 10 5 EFBERO CC[N@H+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000593488514 479363334 /nfs/dbraw/zinc/36/33/34/479363334.db2.gz KLIKEYPKTPXMBP-UHFFFAOYSA-N 1 0 349.435 2.545 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599649565 479368320 /nfs/dbraw/zinc/36/83/20/479368320.db2.gz BNPKKYOHNYLFAW-ZACQAIPSSA-N 1 0 332.400 2.801 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2Nc2cnn(-c3cc[nH+]cc3)c2)s1 ZINC000587803027 479375891 /nfs/dbraw/zinc/37/58/91/479375891.db2.gz SLHIKYHNSGSEAL-UHFFFAOYSA-N 1 0 339.340 2.924 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599661164 479377469 /nfs/dbraw/zinc/37/74/69/479377469.db2.gz SKWYYFYTBXWVPY-KFWWJZLASA-N 1 0 348.399 2.767 10 5 EFBERO C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000587974959 479377682 /nfs/dbraw/zinc/37/76/82/479377682.db2.gz FJNMVICFWHDFRE-CYBMUJFWSA-N 1 0 344.415 2.602 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000599670096 479381176 /nfs/dbraw/zinc/38/11/76/479381176.db2.gz RQLULGDAAZCLGB-UHFFFAOYSA-N 1 0 339.461 2.733 10 5 EFBERO Nc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000588039372 479386219 /nfs/dbraw/zinc/38/62/19/479386219.db2.gz RWXRYULLRDVDOG-INIZCTEOSA-N 1 0 348.447 2.878 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000611515336 479403308 /nfs/dbraw/zinc/40/33/08/479403308.db2.gz JYGDNIZYKOYBQJ-AWEZNQCLSA-N 1 0 328.372 2.773 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694949 479425399 /nfs/dbraw/zinc/42/53/99/479425399.db2.gz UWYUUEQPZCTUFT-BIENSFFJSA-N 1 0 339.395 2.974 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000611616963 479430580 /nfs/dbraw/zinc/43/05/80/479430580.db2.gz RQFRUUZRQYXTJH-UHFFFAOYSA-N 1 0 348.447 2.688 10 5 EFBERO [NH3+]CC1(CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000593715135 479431625 /nfs/dbraw/zinc/43/16/25/479431625.db2.gz MTGLSXBZUKNCMH-HNNXBMFYSA-N 1 0 346.431 2.613 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000603833261 479434076 /nfs/dbraw/zinc/43/40/76/479434076.db2.gz DBKLHPQWUHRFQJ-ZDUSSCGKSA-N 1 0 328.372 2.773 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCOC1 ZINC000593725837 479436248 /nfs/dbraw/zinc/43/62/48/479436248.db2.gz YTJNHYVNABAWQE-BBRMVZONSA-N 1 0 340.445 2.597 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593755151 479449324 /nfs/dbraw/zinc/44/93/24/479449324.db2.gz GYYQNAYPPZKTCD-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000611762422 479471163 /nfs/dbraw/zinc/47/11/63/479471163.db2.gz MZBCQKKNWDGDCX-HNNXBMFYSA-N 1 0 347.415 2.550 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599920199 479471240 /nfs/dbraw/zinc/47/12/40/479471240.db2.gz ICNBNNDNEQWHPW-DOPJRALCSA-N 1 0 346.431 2.605 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000589243698 479504532 /nfs/dbraw/zinc/50/45/32/479504532.db2.gz JKPFOJZNAPUOOZ-LBPRGKRZSA-N 1 0 343.383 2.943 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000593914142 479507155 /nfs/dbraw/zinc/50/71/55/479507155.db2.gz IQJHEWYUERJWNX-UHFFFAOYSA-N 1 0 327.384 2.861 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593914683 479507212 /nfs/dbraw/zinc/50/72/12/479507212.db2.gz NJALWTVSULFFTK-UHFFFAOYSA-N 1 0 341.411 2.908 10 5 EFBERO Cc1nccc([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604472760 479522662 /nfs/dbraw/zinc/52/26/62/479522662.db2.gz GSPBLUUHMVSVQX-OAHLLOKOSA-N 1 0 342.399 2.952 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCC2CCOCC2)c1 ZINC000589502200 479532980 /nfs/dbraw/zinc/53/29/80/479532980.db2.gz OKLKOLSLPVECOY-UHFFFAOYSA-N 1 0 336.388 2.630 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000589506113 479535072 /nfs/dbraw/zinc/53/50/72/479535072.db2.gz VTEOPNJSRJSOEJ-LSDHHAIUSA-N 1 0 348.399 2.630 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506624 479535232 /nfs/dbraw/zinc/53/52/32/479535232.db2.gz LIJVGEADNALDKG-CVEARBPZSA-N 1 0 348.399 2.819 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000589517759 479536561 /nfs/dbraw/zinc/53/65/61/479536561.db2.gz KMGRPXOJBCEGIR-CVEARBPZSA-N 1 0 334.372 2.525 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000589516137 479536953 /nfs/dbraw/zinc/53/69/53/479536953.db2.gz HATHSXACWIOOGE-KRWDZBQOSA-N 1 0 336.388 2.508 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594044957 479564275 /nfs/dbraw/zinc/56/42/75/479564275.db2.gz RKUOQYQSHPQYAJ-GOEBONIOSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044156 479564301 /nfs/dbraw/zinc/56/43/01/479564301.db2.gz PPOIYXYIXVZVSO-ZBFHGGJFSA-N 1 0 336.388 2.819 10 5 EFBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594043768 479564749 /nfs/dbraw/zinc/56/47/49/479564749.db2.gz OOCACAINOIHROL-HOTGVXAUSA-N 1 0 335.404 2.861 10 5 EFBERO CN(C)c1cc[nH+]c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000589845360 479574768 /nfs/dbraw/zinc/57/47/68/479574768.db2.gz FCDUOMJQVWCOGK-UHFFFAOYSA-N 1 0 336.298 2.515 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594103063 479589138 /nfs/dbraw/zinc/58/91/38/479589138.db2.gz VDJTWANPLNNJBZ-YQQAZPJKSA-N 1 0 333.432 2.620 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590044642 479595629 /nfs/dbraw/zinc/59/56/29/479595629.db2.gz KALJCNQOMFSRFG-XJKSGUPXSA-N 1 0 331.416 2.668 10 5 EFBERO CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000597215124 479624786 /nfs/dbraw/zinc/62/47/86/479624786.db2.gz WZESYFBWGPASPI-UHFFFAOYSA-N 1 0 329.356 2.519 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000597224646 479630986 /nfs/dbraw/zinc/63/09/86/479630986.db2.gz NIIAEJANWYBGAZ-QXSWTLKVSA-N 1 0 346.431 2.686 10 5 EFBERO CC(C)NC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597231096 479633182 /nfs/dbraw/zinc/63/31/82/479633182.db2.gz IJIIFDHXXJQTJU-KQQSKNTNSA-N 1 0 331.416 2.845 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000597255614 479646618 /nfs/dbraw/zinc/64/66/18/479646618.db2.gz WQEDTELCVDUDBS-QGZVFWFLSA-N 1 0 327.384 2.983 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c1 ZINC000612617663 479711767 /nfs/dbraw/zinc/71/17/67/479711767.db2.gz WCSWDSSUKHVRAS-UHFFFAOYSA-N 1 0 346.368 2.660 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609443148 480160154 /nfs/dbraw/zinc/16/01/54/480160154.db2.gz NJJZFZMXBXZDNS-UHFFFAOYSA-N 1 0 327.275 2.567 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000131960124 534320243 /nfs/dbraw/zinc/32/02/43/534320243.db2.gz JWNBCBAXBXYBHZ-CQSZACIVSA-N 1 0 347.802 2.899 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068906252 520909624 /nfs/dbraw/zinc/90/96/24/520909624.db2.gz MVDQXSCMVMNQIY-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000356979495 534542365 /nfs/dbraw/zinc/54/23/65/534542365.db2.gz HPVNQNBMNRYCEV-UHFFFAOYSA-N 1 0 345.443 2.932 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000119093989 521618727 /nfs/dbraw/zinc/61/87/27/521618727.db2.gz YVRFXPLKJNQTJR-OAHLLOKOSA-N 1 0 346.431 2.753 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245420194 521652132 /nfs/dbraw/zinc/65/21/32/521652132.db2.gz MSLJKSSWPHWULD-CJNGLKHVSA-N 1 0 334.420 2.782 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611260 522524217 /nfs/dbraw/zinc/52/42/17/522524217.db2.gz YJWCUCKBQBMVFL-JSGCOSHPSA-N 1 0 329.404 2.723 10 5 EFBERO CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708799 522709994 /nfs/dbraw/zinc/70/99/94/522709994.db2.gz XMUVXMTWANPUPQ-QGZVFWFLSA-N 1 0 346.431 2.926 10 5 EFBERO CN1CCO[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000245995372 523940007 /nfs/dbraw/zinc/94/00/07/523940007.db2.gz RGDPGBRIXPUTAX-RBUKOAKNSA-N 1 0 341.411 2.604 10 5 EFBERO COc1cccc2c1CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000193710310 524214865 /nfs/dbraw/zinc/21/48/65/524214865.db2.gz GWYWGNNIUFBCDL-GOSISDBHSA-N 1 0 342.395 2.738 10 5 EFBERO COc1cccc2c1CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000193710295 524215871 /nfs/dbraw/zinc/21/58/71/524215871.db2.gz GWYWGNNIUFBCDL-SFHVURJKSA-N 1 0 342.395 2.738 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515601 525460740 /nfs/dbraw/zinc/46/07/40/525460740.db2.gz WWGIJSUNFXBINU-CQSZACIVSA-N 1 0 342.399 2.932 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658936 525607673 /nfs/dbraw/zinc/60/76/73/525607673.db2.gz ZMZAXBQWCCQAFZ-ZFWWWQNUSA-N 1 0 329.404 2.648 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658951 525676402 /nfs/dbraw/zinc/67/64/02/525676402.db2.gz ZMZAXBQWCCQAFZ-HIFRSBDPSA-N 1 0 329.404 2.648 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811104 525677785 /nfs/dbraw/zinc/67/77/85/525677785.db2.gz HKVZNLZHQZILQA-HIFRSBDPSA-N 1 0 327.388 2.704 10 5 EFBERO CSc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186520212 525954372 /nfs/dbraw/zinc/95/43/72/525954372.db2.gz DFTOXHCVXUGGJM-GFCCVEGCSA-N 1 0 335.429 2.673 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968989 526079009 /nfs/dbraw/zinc/07/90/09/526079009.db2.gz NSZLKCYHKUVCDA-MAUKXSAKSA-N 1 0 333.432 2.843 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000087274540 526602426 /nfs/dbraw/zinc/60/24/26/526602426.db2.gz HXPKOCBSCICYBI-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO Cc1sc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000112919090 526872170 /nfs/dbraw/zinc/87/21/70/526872170.db2.gz WYIVYWLBIQAVFG-UHFFFAOYSA-N 1 0 337.445 2.913 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000161044528 527329043 /nfs/dbraw/zinc/32/90/43/527329043.db2.gz DMCSRXRTLAVSOK-CRAIPNDOSA-N 1 0 348.399 2.588 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)nc1 ZINC000118867173 527367504 /nfs/dbraw/zinc/36/75/04/527367504.db2.gz TXGQDGIEHRXVFL-CQSZACIVSA-N 1 0 346.362 2.694 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)c1 ZINC000180853531 527394604 /nfs/dbraw/zinc/39/46/04/527394604.db2.gz IFJINPAEUYRJQV-LPHOPBHVSA-N 1 0 349.394 2.880 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181165881 528330438 /nfs/dbraw/zinc/33/04/38/528330438.db2.gz PDJGEOUMZAGKPI-ZDUSSCGKSA-N 1 0 337.445 2.871 10 5 EFBERO CCOc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000024316672 528399966 /nfs/dbraw/zinc/39/99/66/528399966.db2.gz FPFKGFHXYGSTIH-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126410 534942937 /nfs/dbraw/zinc/94/29/37/534942937.db2.gz KDYXVDNXYMHEAO-DZGCQCFKSA-N 1 0 349.431 2.937 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000426769302 535227935 /nfs/dbraw/zinc/22/79/35/535227935.db2.gz HSRCCWACRHMJME-LLVKDONJSA-N 1 0 343.374 2.652 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000349953170 535397790 /nfs/dbraw/zinc/39/77/90/535397790.db2.gz TXXDQPWULCEILR-UHFFFAOYSA-N 1 0 349.431 2.554 10 5 EFBERO C[NH+]1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000356734840 536334864 /nfs/dbraw/zinc/33/48/64/536334864.db2.gz DCEFJQCDQHUOEO-UHFFFAOYSA-N 1 0 342.193 2.638 10 5 EFBERO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000364149592 536822887 /nfs/dbraw/zinc/82/28/87/536822887.db2.gz KVMPBQAUUCFXTO-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350686592 536976548 /nfs/dbraw/zinc/97/65/48/536976548.db2.gz XOVARLSFFSZLQK-QGZVFWFLSA-N 1 0 330.388 2.809 10 5 EFBERO COc1ccccc1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347801516 537030297 /nfs/dbraw/zinc/03/02/97/537030297.db2.gz USDRVSFGYZVYCD-UHFFFAOYSA-N 1 0 327.384 2.989 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000755095980 575540791 /nfs/dbraw/zinc/54/07/91/575540791.db2.gz CDOCXVARHYULLO-ZSMUJPCHSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000755298007 575571701 /nfs/dbraw/zinc/57/17/01/575571701.db2.gz WFYQNQWECGJMHE-QSOAKEGCSA-N 1 0 329.400 2.599 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000755349872 575576981 /nfs/dbraw/zinc/57/69/81/575576981.db2.gz XNFXIFOJQKBIGJ-GRNBYLDVSA-N 1 0 331.416 2.989 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755920863 575656616 /nfs/dbraw/zinc/65/66/16/575656616.db2.gz QRSMPLJHWZCGDM-CYBMUJFWSA-N 1 0 337.395 2.911 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000757795573 575853105 /nfs/dbraw/zinc/85/31/05/575853105.db2.gz RCQGWAFMMOYAKE-HYNXSNSOSA-N 1 0 345.399 2.676 10 5 EFBERO Cc1cc(F)cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000758465678 575870476 /nfs/dbraw/zinc/87/04/76/575870476.db2.gz BCWYRNMBIWTGTH-UHFFFAOYSA-N 1 0 341.302 2.875 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893876 576226402 /nfs/dbraw/zinc/22/64/02/576226402.db2.gz KRIGQJIAWKWNTI-TXEJJXNPSA-N 1 0 348.403 2.601 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763465698 576378410 /nfs/dbraw/zinc/37/84/10/576378410.db2.gz CDYVBSPRCBBKIP-HNNXBMFYSA-N 1 0 328.796 2.515 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000764466771 576461145 /nfs/dbraw/zinc/46/11/45/576461145.db2.gz QTAZDZDUAPMSCM-SMDDNHRTSA-N 1 0 337.807 2.739 10 5 EFBERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844941 577082385 /nfs/dbraw/zinc/08/23/85/577082385.db2.gz LGVAVFHFHMAESP-SJKOYZFVSA-N 1 0 346.383 2.996 10 5 EFBERO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849314 577082525 /nfs/dbraw/zinc/08/25/25/577082525.db2.gz OCXUJOZZLLJAQM-JKSUJKDBSA-N 1 0 332.404 2.719 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC ZINC000768103462 577254556 /nfs/dbraw/zinc/25/45/56/577254556.db2.gz FPLAPGAPCGCTNW-GTJPDFRWSA-N 1 0 330.475 2.824 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770008097 577397446 /nfs/dbraw/zinc/39/74/46/577397446.db2.gz JCYKANIFAGJRIY-SNVBAGLBSA-N 1 0 326.784 2.712 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CCO)CCC3)CC2)cc1 ZINC000773066419 581393229 /nfs/dbraw/zinc/39/32/29/581393229.db2.gz CAAGUMDALFYJPK-UHFFFAOYSA-N 1 0 333.432 2.706 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000774661342 581496846 /nfs/dbraw/zinc/49/68/46/581496846.db2.gz YHYVEAHDOFXFQG-CQSZACIVSA-N 1 0 345.403 2.526 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000774903413 581503694 /nfs/dbraw/zinc/50/36/94/581503694.db2.gz NCWJHNPEVPOCKV-MRXNPFEDSA-N 1 0 335.360 2.896 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000774903410 581503712 /nfs/dbraw/zinc/50/37/12/581503712.db2.gz NCWJHNPEVPOCKV-INIZCTEOSA-N 1 0 335.360 2.896 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000774910509 581503932 /nfs/dbraw/zinc/50/39/32/581503932.db2.gz CFIMNSORQZUTMM-JSGCOSHPSA-N 1 0 335.360 2.752 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000774910511 581503976 /nfs/dbraw/zinc/50/39/76/581503976.db2.gz CFIMNSORQZUTMM-TZMCWYRMSA-N 1 0 335.360 2.752 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2occc2[nH]1 ZINC001691334316 1248668006 /nfs/dbraw/zinc/66/80/06/1248668006.db2.gz OJFGYGZPGRUVRH-UHFFFAOYSA-N 1 0 342.355 2.531 10 5 EFBERO Cc1oc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001691383701 1248716424 /nfs/dbraw/zinc/71/64/24/1248716424.db2.gz PTHCWTABZUHQJS-UHFFFAOYSA-N 1 0 345.399 2.975 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691433361 1248889097 /nfs/dbraw/zinc/88/90/97/1248889097.db2.gz NVHLOSABBABPGT-IYBDPMFKSA-N 1 0 329.400 2.690 10 5 EFBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nccn2c1 ZINC000733880994 1265461818 /nfs/dbraw/zinc/46/18/18/1265461818.db2.gz MVPKQIWCWPUHPN-UHFFFAOYSA-N 1 0 325.328 2.561 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490808 1250506134 /nfs/dbraw/zinc/50/61/34/1250506134.db2.gz GZQPGVQPPHHSST-STFLBKPXSA-N 1 0 338.351 2.865 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850494254 1250507780 /nfs/dbraw/zinc/50/77/80/1250507780.db2.gz ZVKYCZNCJYALSO-MGUXCZDKSA-N 1 0 338.351 2.865 10 5 EFBERO CC1(C)OCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850569776 1250542389 /nfs/dbraw/zinc/54/23/89/1250542389.db2.gz AOJQEQXHLZADEO-CQSZACIVSA-N 1 0 333.432 2.968 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000851628521 1251150469 /nfs/dbraw/zinc/15/04/69/1251150469.db2.gz HHAMIEOSUKKQBE-UHFFFAOYSA-N 1 0 337.807 2.868 10 5 EFBERO CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+](C)C ZINC001746099907 1251507028 /nfs/dbraw/zinc/50/70/28/1251507028.db2.gz RURWHIHMHVFMFB-CYBMUJFWSA-N 1 0 346.435 2.650 10 5 EFBERO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001168570843 1257746965 /nfs/dbraw/zinc/74/69/65/1257746965.db2.gz TYLGSICCHPTWIW-AWEZNQCLSA-N 1 0 346.387 2.940 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2CC[NH+](C)C)n1 ZINC001128125058 1261289127 /nfs/dbraw/zinc/28/91/27/1261289127.db2.gz IDFVPYRMGBPMPD-UHFFFAOYSA-N 1 0 328.372 2.655 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000923365831 1261559594 /nfs/dbraw/zinc/55/95/94/1261559594.db2.gz ZZIXMZLFNRJTQB-TXEJJXNPSA-N 1 0 340.221 2.684 10 5 EFBERO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000785457063 1262430544 /nfs/dbraw/zinc/43/05/44/1262430544.db2.gz PKYZUNXBANCFEL-MRXNPFEDSA-N 1 0 334.347 2.956 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 ZINC001273248639 1264831511 /nfs/dbraw/zinc/83/15/11/1264831511.db2.gz GICOQGGEHJQZTO-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000823658033 1265395619 /nfs/dbraw/zinc/39/56/19/1265395619.db2.gz ZQCIMSAUCGJUET-KGLIPLIRSA-N 1 0 337.807 2.851 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncccc1C ZINC001273319053 1267155648 /nfs/dbraw/zinc/15/56/48/1267155648.db2.gz YBZPBLLDMCHKRJ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742427924 1270048397 /nfs/dbraw/zinc/04/83/97/1270048397.db2.gz UJCPFOBMKPJSFQ-FWPCIQOSSA-N 1 0 333.388 2.677 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000744161075 1270912390 /nfs/dbraw/zinc/91/23/90/1270912390.db2.gz WULRCGKNQXXSHW-DOOHLRMFSA-N 1 0 343.383 2.971 10 5 EFBERO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674814 1275749922 /nfs/dbraw/zinc/74/99/22/1275749922.db2.gz JPOJZLAAHZSEGV-MRXNPFEDSA-N 1 0 339.411 2.667 10 5 EFBERO COc1ccc(C[NH2+]CCc2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000922946344 1276388531 /nfs/dbraw/zinc/38/85/31/1276388531.db2.gz FUWIRQFHAZGJCW-UHFFFAOYSA-N 1 0 344.367 2.707 10 5 EFBERO C/C(=C/C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000818178950 1276478992 /nfs/dbraw/zinc/47/89/92/1276478992.db2.gz VSMWYYPOLAQPSI-LJQBUTKESA-N 1 0 343.427 2.942 10 5 EFBERO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000818527564 1276525284 /nfs/dbraw/zinc/52/52/84/1276525284.db2.gz LUIDIEULACETFY-GFCCVEGCSA-N 1 0 342.399 2.611 10 5 EFBERO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000818527565 1276525564 /nfs/dbraw/zinc/52/55/64/1276525564.db2.gz LUIDIEULACETFY-LBPRGKRZSA-N 1 0 342.399 2.611 10 5 EFBERO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819058703 1276585613 /nfs/dbraw/zinc/58/56/13/1276585613.db2.gz GHGOPDXVXAXBOW-SCLBCKFNSA-N 1 0 330.384 2.858 10 5 EFBERO Cc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000819256982 1276688362 /nfs/dbraw/zinc/68/83/62/1276688362.db2.gz QNVGHXJQVRULOV-QGZVFWFLSA-N 1 0 330.384 2.783 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)cc1 ZINC000819216619 1276691977 /nfs/dbraw/zinc/69/19/77/1276691977.db2.gz IXIPMVDJQAUDDH-OAHLLOKOSA-N 1 0 340.301 2.878 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718008 1276890244 /nfs/dbraw/zinc/89/02/44/1276890244.db2.gz BKQXLIISHHMEAO-UJDGICINSA-N 1 0 329.400 2.551 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001136430834 1277511596 /nfs/dbraw/zinc/51/15/96/1277511596.db2.gz IFTCHKHRMFMSPS-ZDUSSCGKSA-N 1 0 339.823 2.637 10 5 EFBERO C/C(=C/C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642733 1279164128 /nfs/dbraw/zinc/16/41/28/1279164128.db2.gz KNLSWDBDEPQKED-WERPAELLSA-N 1 0 331.416 2.938 10 5 EFBERO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844908906 1279359229 /nfs/dbraw/zinc/35/92/29/1279359229.db2.gz JVCYZYJLBKBFLS-TZMCWYRMSA-N 1 0 343.387 2.836 10 5 EFBERO C[C@]12CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1C2(F)F ZINC000793544497 1279739661 /nfs/dbraw/zinc/73/96/61/1279739661.db2.gz LJQIPVBSCXQHHE-HIFRSBDPSA-N 1 0 349.341 2.788 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846016896 1279977852 /nfs/dbraw/zinc/97/78/52/1279977852.db2.gz KGMDDTJPUJNGHJ-KBXCAEBGSA-N 1 0 335.448 2.950 10 5 EFBERO COc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846039693 1279996151 /nfs/dbraw/zinc/99/61/51/1279996151.db2.gz RBEXODODNLKAAY-UGSOOPFHSA-N 1 0 330.384 2.989 10 5 EFBERO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019581 1287401341 /nfs/dbraw/zinc/40/13/41/1287401341.db2.gz WXIQZYRMUUQPPB-MJBXVCDLSA-N 1 0 339.411 2.884 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000872019262 1287401648 /nfs/dbraw/zinc/40/16/48/1287401648.db2.gz VNCGWKJJAAVQTG-GFCCVEGCSA-N 1 0 337.445 2.980 10 5 EFBERO Cc1ncsc1CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323338 1287402014 /nfs/dbraw/zinc/40/20/14/1287402014.db2.gz LRYPFGPQOSHQTI-INIZCTEOSA-N 1 0 335.429 2.790 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024700 1287403561 /nfs/dbraw/zinc/40/35/61/1287403561.db2.gz DBVXCUUGPIHXPM-OLZOCXBDSA-N 1 0 345.378 2.844 10 5 EFBERO C[C@H](NC[C@@]1([NH+](C)C)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039483 1287408374 /nfs/dbraw/zinc/40/83/74/1287408374.db2.gz FXCVOCUAFAKCLA-NHYWBVRUSA-N 1 0 327.425 2.822 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040271 1287409897 /nfs/dbraw/zinc/40/98/97/1287409897.db2.gz WWNIFMJZQSUSLB-STQMWFEESA-N 1 0 347.394 2.787 10 5 EFBERO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088404 1287425173 /nfs/dbraw/zinc/42/51/73/1287425173.db2.gz NYAWAZARDQZODC-JSGCOSHPSA-N 1 0 337.395 2.638 10 5 EFBERO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081663 1287422453 /nfs/dbraw/zinc/42/24/53/1287422453.db2.gz IYPYWHUSCIJGRB-BDJLRTHQSA-N 1 0 326.368 2.562 10 5 EFBERO COC1([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872078601 1287422672 /nfs/dbraw/zinc/42/26/72/1287422672.db2.gz BYBAWBDNORCRPB-NWDGAFQWSA-N 1 0 326.368 2.969 10 5 EFBERO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081665 1287422821 /nfs/dbraw/zinc/42/28/21/1287422821.db2.gz IYPYWHUSCIJGRB-MEDUHNTESA-N 1 0 326.368 2.562 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000872083398 1287423603 /nfs/dbraw/zinc/42/36/03/1287423603.db2.gz LSOSWWTWKSVBTP-NHYWBVRUSA-N 1 0 326.418 2.509 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000872089063 1287425484 /nfs/dbraw/zinc/42/54/84/1287425484.db2.gz YUODWOPBZOBNAI-BPNCWPANSA-N 1 0 326.418 2.507 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000872089067 1287425612 /nfs/dbraw/zinc/42/56/12/1287425612.db2.gz YUODWOPBZOBNAI-ZLKJLUDKSA-N 1 0 326.418 2.507 10 5 EFBERO COCC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000872105817 1287430256 /nfs/dbraw/zinc/43/02/56/1287430256.db2.gz MDGGBZKCKJKOSV-ZDUSSCGKSA-N 1 0 337.420 2.964 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)n1 ZINC000872108018 1287430319 /nfs/dbraw/zinc/43/03/19/1287430319.db2.gz QRQUYMVFVAAUOP-RFBLXINOSA-N 1 0 334.420 2.822 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)n1 ZINC000872108015 1287430415 /nfs/dbraw/zinc/43/04/15/1287430415.db2.gz QRQUYMVFVAAUOP-CWVYHPPDSA-N 1 0 334.420 2.822 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000872118367 1287434198 /nfs/dbraw/zinc/43/41/98/1287434198.db2.gz YLUCHERIMYKQTL-QWHCGFSZSA-N 1 0 336.388 2.987 10 5 EFBERO CC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000846949010 1280652392 /nfs/dbraw/zinc/65/23/92/1280652392.db2.gz FOLPAQXZSQKTFM-UHFFFAOYSA-N 1 0 333.388 2.533 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001137931382 1280979477 /nfs/dbraw/zinc/97/94/77/1280979477.db2.gz PBWHLCOIMJWNJL-NWDGAFQWSA-N 1 0 339.823 2.732 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCC2(CC2)CC1 ZINC000872222686 1287484710 /nfs/dbraw/zinc/48/47/10/1287484710.db2.gz AJUPKJUYYVZLJA-OAHLLOKOSA-N 1 0 334.416 2.895 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000872231256 1287488735 /nfs/dbraw/zinc/48/87/35/1287488735.db2.gz FRBLUZGZFQUCJI-AWEZNQCLSA-N 1 0 336.413 2.632 10 5 EFBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229447 1281598522 /nfs/dbraw/zinc/59/85/22/1281598522.db2.gz BBQSQIDBGPKKFF-OAHLLOKOSA-N 1 0 327.388 2.933 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000872271023 1287513376 /nfs/dbraw/zinc/51/33/76/1287513376.db2.gz JGQULAHOHYLRRI-SNVBAGLBSA-N 1 0 325.796 2.756 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001148630424 1281697893 /nfs/dbraw/zinc/69/78/93/1281697893.db2.gz LFMVKWLJCAUEKW-UHFFFAOYSA-N 1 0 342.827 2.681 10 5 EFBERO [NH3+]CCN(Cc1c[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000809734423 1282413367 /nfs/dbraw/zinc/41/33/67/1282413367.db2.gz GLHWDLLLNVVKCA-UHFFFAOYSA-N 1 0 337.383 2.950 10 5 EFBERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558772 1287595195 /nfs/dbraw/zinc/59/51/95/1287595195.db2.gz NMYBYPAJQQGXAD-GFCCVEGCSA-N 1 0 338.371 2.609 10 5 EFBERO Cc1c(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810701424 1283538089 /nfs/dbraw/zinc/53/80/89/1283538089.db2.gz RCEXVORSZIMLTB-KRWDZBQOSA-N 1 0 337.395 2.732 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000812842271 1285468946 /nfs/dbraw/zinc/46/89/46/1285468946.db2.gz SFAZDOXHDGHZAJ-KRWDZBQOSA-N 1 0 335.379 2.696 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000812842272 1285469024 /nfs/dbraw/zinc/46/90/24/1285469024.db2.gz SFAZDOXHDGHZAJ-QGZVFWFLSA-N 1 0 335.379 2.696 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831288 1285579197 /nfs/dbraw/zinc/57/91/97/1285579197.db2.gz LVICILGUUVPLQV-HUUCEWRRSA-N 1 0 344.415 2.959 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001133796171 1285965571 /nfs/dbraw/zinc/96/55/71/1285965571.db2.gz OLDXINXJAZMWKX-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO Nc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635031 1289075020 /nfs/dbraw/zinc/07/50/20/1289075020.db2.gz OAUBTKLUXOUGDG-WQAKAFBOSA-N 1 0 329.360 2.820 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001176927495 1288176936 /nfs/dbraw/zinc/17/69/36/1288176936.db2.gz SLENAVGMHCNJHN-IAGOWNOFSA-N 1 0 347.415 2.957 10 5 EFBERO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000816845587 1288301382 /nfs/dbraw/zinc/30/13/82/1288301382.db2.gz WETWGSODYYCHCK-NSHDSACASA-N 1 0 325.796 2.548 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000821887575 1288823487 /nfs/dbraw/zinc/82/34/87/1288823487.db2.gz QWDISEUUMHRSBH-SFHVURJKSA-N 1 0 338.367 2.604 10 5 EFBERO Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(N)c1[N+](=O)[O-] ZINC001179879743 1289303214 /nfs/dbraw/zinc/30/32/14/1289303214.db2.gz RSAHRKHOYQEQMK-UHFFFAOYSA-N 1 0 332.404 2.688 10 5 EFBERO COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824559430 1289699096 /nfs/dbraw/zinc/69/90/96/1289699096.db2.gz UCCDSFZQZNXXAT-CYBMUJFWSA-N 1 0 337.203 2.779 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001185565914 1290712435 /nfs/dbraw/zinc/71/24/35/1290712435.db2.gz WMNMTEWYIAYJDV-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903539609 1312838778 /nfs/dbraw/zinc/83/87/78/1312838778.db2.gz PEQCRUQPXQRUFG-MNOVXSKESA-N 1 0 337.729 2.960 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)[nH]c1C ZINC001273628209 1292720323 /nfs/dbraw/zinc/72/03/23/1292720323.db2.gz CHWPOIQARAINHN-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H](CO)C2CCCCC2)o1 ZINC001193336058 1293260597 /nfs/dbraw/zinc/26/05/97/1293260597.db2.gz KYGUUJWEHLNZSC-CQSZACIVSA-N 1 0 346.387 2.676 10 5 EFBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882820403 1293337691 /nfs/dbraw/zinc/33/76/91/1293337691.db2.gz NZVJVIJUUCXBKQ-ZDUSSCGKSA-N 1 0 340.383 2.908 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883402796 1293580752 /nfs/dbraw/zinc/58/07/52/1293580752.db2.gz AEZQFUJHMQMRIE-ROCHPLJESA-N 1 0 329.400 2.599 10 5 EFBERO CCC[C@]1(CO)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001194781677 1293708276 /nfs/dbraw/zinc/70/82/76/1293708276.db2.gz HHVVCBSDZRUOLG-KRWDZBQOSA-N 1 0 346.387 2.629 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)O2 ZINC000886339308 1294872282 /nfs/dbraw/zinc/87/22/82/1294872282.db2.gz YNNPOMNFUOSXLA-DJZPMSPPSA-N 1 0 338.379 2.796 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)O2)[C@H]1C ZINC000886339310 1294872640 /nfs/dbraw/zinc/87/26/40/1294872640.db2.gz YNNPOMNFUOSXLA-WXRXAMBDSA-N 1 0 338.379 2.796 10 5 EFBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001198218139 1294925837 /nfs/dbraw/zinc/92/58/37/1294925837.db2.gz CWZQBWNRRQFSIN-SFHVURJKSA-N 1 0 348.374 2.696 10 5 EFBERO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000886615713 1295062554 /nfs/dbraw/zinc/06/25/54/1295062554.db2.gz LZLNDXPJMWDGLU-SMDDNHRTSA-N 1 0 344.371 2.764 10 5 EFBERO CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789909 1295231122 /nfs/dbraw/zinc/23/11/22/1295231122.db2.gz APCDBTQBBDGNNA-CQSZACIVSA-N 1 0 346.435 2.622 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198761844 1295239623 /nfs/dbraw/zinc/23/96/23/1295239623.db2.gz RLTRHUKZADNJRX-KRWDZBQOSA-N 1 0 336.388 2.627 10 5 EFBERO Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000927041428 1296981715 /nfs/dbraw/zinc/98/17/15/1296981715.db2.gz OHQQZWIIPIRMTI-RLAWYHOSSA-N 1 0 338.429 2.662 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927110079 1296992223 /nfs/dbraw/zinc/99/22/23/1296992223.db2.gz PUIREGQUYUTSLB-QAPCUYQASA-N 1 0 347.459 2.759 10 5 EFBERO CC(C)c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000903974046 1313521215 /nfs/dbraw/zinc/52/12/15/1313521215.db2.gz KHOJUSQGBSOGTI-INIZCTEOSA-N 1 0 347.459 2.967 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001490323798 1298768447 /nfs/dbraw/zinc/76/84/47/1298768447.db2.gz OAERWBLVYRXUGG-UHFFFAOYSA-N 1 0 344.415 2.575 10 5 EFBERO Cc1ccccc1[C@@H](O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000796410533 1299443020 /nfs/dbraw/zinc/44/30/20/1299443020.db2.gz XQPLJDKSZASWLG-SFHVURJKSA-N 1 0 344.415 2.545 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1Br ZINC000852581546 1299769261 /nfs/dbraw/zinc/76/92/61/1299769261.db2.gz LJOXIZNJOPTRFP-VXGBXAGGSA-N 1 0 341.205 2.750 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000852759663 1299871112 /nfs/dbraw/zinc/87/11/12/1299871112.db2.gz SAIMASOBJVKQMM-KURKYZTESA-N 1 0 332.400 2.521 10 5 EFBERO CC(C)[C@H](O)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853114821 1300014262 /nfs/dbraw/zinc/01/42/62/1300014262.db2.gz QSIHJCYWQFHQSU-OTWHNJEPSA-N 1 0 344.411 2.976 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H](C2CCC2)C1 ZINC000853587881 1300180714 /nfs/dbraw/zinc/18/07/14/1300180714.db2.gz BBRAKIMKOKZALH-ZDUSSCGKSA-N 1 0 331.372 2.972 10 5 EFBERO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+](CCC1CC1)CC1CC1 ZINC000853604470 1300189492 /nfs/dbraw/zinc/18/94/92/1300189492.db2.gz ALTRGHCVYGDCHS-UHFFFAOYSA-N 1 0 343.383 2.660 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000853756220 1300259239 /nfs/dbraw/zinc/25/92/39/1300259239.db2.gz NVZZMIHGIJDGEQ-UHFFFAOYSA-N 1 0 334.420 2.601 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000853906713 1300333096 /nfs/dbraw/zinc/33/30/96/1300333096.db2.gz ORLYGSKOOSQMGP-VSKVDJIOSA-N 1 0 333.388 2.677 10 5 EFBERO C/C(=C\C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000854498132 1300592326 /nfs/dbraw/zinc/59/23/26/1300592326.db2.gz LMHJZNFOPNDJMW-FYWRMAATSA-N 1 0 343.427 2.942 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854498111 1300592757 /nfs/dbraw/zinc/59/27/57/1300592757.db2.gz KUZSQIDVPXUVDC-FYWRMAATSA-N 1 0 343.427 2.942 10 5 EFBERO Nc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000854497222 1300592766 /nfs/dbraw/zinc/59/27/66/1300592766.db2.gz KVFQPQZTKZCMLK-UHFFFAOYSA-N 1 0 340.383 2.564 10 5 EFBERO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000859632707 1301514626 /nfs/dbraw/zinc/51/46/26/1301514626.db2.gz FVYLPQDOOHZJEP-SJCJKPOMSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000859884716 1301618925 /nfs/dbraw/zinc/61/89/25/1301618925.db2.gz OTHSRVLEZDFGQI-BHVCSQLQSA-N 1 0 328.821 2.734 10 5 EFBERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010671 1301673838 /nfs/dbraw/zinc/67/38/38/1301673838.db2.gz GUENBNGMTAAALA-SGTLLEGYSA-N 1 0 339.395 2.961 10 5 EFBERO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861455803 1302136445 /nfs/dbraw/zinc/13/64/45/1302136445.db2.gz ULKRDMPGQYJZBL-UHFFFAOYSA-N 1 0 325.368 2.740 10 5 EFBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)[NH2+]1 ZINC000862236204 1302318116 /nfs/dbraw/zinc/31/81/16/1302318116.db2.gz RIWMUYJLXPYKKQ-GXTWGEPZSA-N 1 0 327.384 2.961 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863033174 1302528455 /nfs/dbraw/zinc/52/84/55/1302528455.db2.gz SUNAYUHEKXTSQV-CYBMUJFWSA-N 1 0 335.379 2.789 10 5 EFBERO Cn1ncc2cc(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000865474405 1303274633 /nfs/dbraw/zinc/27/46/33/1303274633.db2.gz FPPXMKCCVJAWMY-UHFFFAOYSA-N 1 0 339.399 2.989 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000865698789 1303370730 /nfs/dbraw/zinc/37/07/30/1303370730.db2.gz HWZVQDCICULADN-QWHCGFSZSA-N 1 0 340.351 2.517 10 5 EFBERO C[C@](CO)([NH2+][C@@H]1CCc2cccnc2CC1)c1cccc([N+](=O)[O-])c1 ZINC000865704155 1303372618 /nfs/dbraw/zinc/37/26/18/1303372618.db2.gz RTHNDLUIKWMQRD-VQIMIIECSA-N 1 0 341.411 2.735 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cc1C(F)F)CCO2 ZINC000865902603 1303447302 /nfs/dbraw/zinc/44/73/02/1303447302.db2.gz YMVXKAXFRHWFCW-UHFFFAOYSA-N 1 0 341.358 2.833 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000866020522 1303490983 /nfs/dbraw/zinc/49/09/83/1303490983.db2.gz MIARZVATLQLTHU-UHFFFAOYSA-N 1 0 337.395 2.681 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000866021086 1303491648 /nfs/dbraw/zinc/49/16/48/1303491648.db2.gz UJOKRFPQGDHMDK-UHFFFAOYSA-N 1 0 334.376 2.958 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000866055362 1303505139 /nfs/dbraw/zinc/50/51/39/1303505139.db2.gz UZOVCPPWBNYEIG-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000866207074 1303562670 /nfs/dbraw/zinc/56/26/70/1303562670.db2.gz UZKRXVWGBGYNRP-GWCFXTLKSA-N 1 0 340.221 2.888 10 5 EFBERO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000866209787 1303564118 /nfs/dbraw/zinc/56/41/18/1303564118.db2.gz WBCMGMYBPCIILH-HIFRSBDPSA-N 1 0 326.400 2.982 10 5 EFBERO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000866209785 1303564281 /nfs/dbraw/zinc/56/42/81/1303564281.db2.gz WBCMGMYBPCIILH-DZGCQCFKSA-N 1 0 326.400 2.982 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866209568 1303564387 /nfs/dbraw/zinc/56/43/87/1303564387.db2.gz UBWAWXHKRVUOJH-WBMJQRKESA-N 1 0 342.399 2.682 10 5 EFBERO COc1ccnc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1F ZINC000866390900 1303621026 /nfs/dbraw/zinc/62/10/26/1303621026.db2.gz VRFGGEQVHJPHLM-JTQLQIEISA-N 1 0 337.326 2.997 10 5 EFBERO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000866413234 1303629085 /nfs/dbraw/zinc/62/90/85/1303629085.db2.gz QKDIZNOMETZNDH-SUMWQHHRSA-N 1 0 347.459 2.752 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccnc(F)c3)CC2)cc1 ZINC000866473266 1303655042 /nfs/dbraw/zinc/65/50/42/1303655042.db2.gz MJSKKKHXWGADFT-UHFFFAOYSA-N 1 0 330.363 2.888 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866533398 1303676148 /nfs/dbraw/zinc/67/61/48/1303676148.db2.gz IGZDTHQQOALHIF-CJNGLKHVSA-N 1 0 332.400 2.757 10 5 EFBERO Cc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000866540347 1303679491 /nfs/dbraw/zinc/67/94/91/1303679491.db2.gz MCFGTKWARFRYOT-AWEZNQCLSA-N 1 0 348.424 2.855 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866724280 1303767196 /nfs/dbraw/zinc/76/71/96/1303767196.db2.gz MRAPOYFECHVAKP-CHWSQXEVSA-N 1 0 340.221 2.684 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000868360021 1304259912 /nfs/dbraw/zinc/25/99/12/1304259912.db2.gz GUPJPMKOKZAEQW-CQSZACIVSA-N 1 0 334.420 2.577 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053197 1304591811 /nfs/dbraw/zinc/59/18/11/1304591811.db2.gz JKONOJPUTLQTPA-OAHLLOKOSA-N 1 0 334.420 2.529 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000870255992 1305227945 /nfs/dbraw/zinc/22/79/45/1305227945.db2.gz NGPBHAOYHGOQEY-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000870260201 1305229781 /nfs/dbraw/zinc/22/97/81/1305229781.db2.gz ZNTCAQZZSZEQSG-UHFFFAOYSA-N 1 0 346.431 2.576 10 5 EFBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000870552579 1305393841 /nfs/dbraw/zinc/39/38/41/1305393841.db2.gz HMNWIJGGMPLDCC-JTQLQIEISA-N 1 0 332.303 2.693 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000870570730 1305405295 /nfs/dbraw/zinc/40/52/95/1305405295.db2.gz RJZSHHJNKYASPD-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000870570953 1305405640 /nfs/dbraw/zinc/40/56/40/1305405640.db2.gz GPOCWQFAONGWFG-UHFFFAOYSA-N 1 0 348.447 2.607 10 5 EFBERO Cc1sc(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870991595 1305732166 /nfs/dbraw/zinc/73/21/66/1305732166.db2.gz GQBWTWZFQDJITL-OAHLLOKOSA-N 1 0 325.434 2.802 10 5 EFBERO Cc1c(CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000870991167 1305732644 /nfs/dbraw/zinc/73/26/44/1305732644.db2.gz IRVLXNRSZUVXHN-GOSISDBHSA-N 1 0 333.432 2.669 10 5 EFBERO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000871153811 1305843420 /nfs/dbraw/zinc/84/34/20/1305843420.db2.gz MIFWSABHZPEVOT-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871355946 1306017213 /nfs/dbraw/zinc/01/72/13/1306017213.db2.gz VTDOXZSBCJUCOE-TWGQIWQCSA-N 1 0 331.416 2.987 10 5 EFBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900523567 1308254386 /nfs/dbraw/zinc/25/43/86/1308254386.db2.gz SUMLPOHRWXIORS-SNVBAGLBSA-N 1 0 329.759 2.554 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000749688139 1311037408 /nfs/dbraw/zinc/03/74/08/1311037408.db2.gz JQYBOSXLTRGKKM-LJQANCHMSA-N 1 0 341.411 2.887 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801873363 1311040746 /nfs/dbraw/zinc/04/07/46/1311040746.db2.gz OQPTZBFTADMWEA-UHFFFAOYSA-N 1 0 348.399 2.911 10 5 EFBERO CC[NH+]1CCC(CNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751460123 1311120504 /nfs/dbraw/zinc/12/05/04/1311120504.db2.gz HJDFJNNZAFNHPX-OWBHPGMISA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C\C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752388328 1311154418 /nfs/dbraw/zinc/15/44/18/1311154418.db2.gz FSORGPCSDDZIOD-ATGUSINASA-N 1 0 331.416 2.798 10 5 EFBERO C/C(=C\C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000802135622 1311381878 /nfs/dbraw/zinc/38/18/78/1311381878.db2.gz ZSUJNANCMBXFAH-SHRNQRGKSA-N 1 0 348.399 2.651 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001160160866 1311657087 /nfs/dbraw/zinc/65/70/87/1311657087.db2.gz SDYQUZYAMGLPDD-NVXWUHKLSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@H](NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001160599541 1311743628 /nfs/dbraw/zinc/74/36/28/1311743628.db2.gz LHLAEGPLSZDPKB-DZGCQCFKSA-N 1 0 340.383 2.694 10 5 EFBERO CC1(CCC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001277218499 1311819920 /nfs/dbraw/zinc/81/99/20/1311819920.db2.gz RXIXAEMINGEYON-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001162597742 1312132609 /nfs/dbraw/zinc/13/26/09/1312132609.db2.gz KDDFIVSYARHARD-RISCZKNCSA-N 1 0 335.433 2.885 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000902952320 1312236096 /nfs/dbraw/zinc/23/60/96/1312236096.db2.gz XAZYETUXOSXQAS-STQMWFEESA-N 1 0 338.429 2.537 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1[N+](=O)[O-] ZINC001163545856 1312334099 /nfs/dbraw/zinc/33/40/99/1312334099.db2.gz UROSURIFKOBPKB-JTQLQIEISA-N 1 0 328.210 2.888 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@@H]([NH+](C)C)C3(C)C)c2c1 ZINC001163572256 1312340150 /nfs/dbraw/zinc/34/01/50/1312340150.db2.gz VSPHHLVGLVESEE-JKSUJKDBSA-N 1 0 344.415 2.714 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001163571065 1312340207 /nfs/dbraw/zinc/34/02/07/1312340207.db2.gz FFQFJMZMNIBTOG-LSDHHAIUSA-N 1 0 332.379 2.845 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001163930253 1312409365 /nfs/dbraw/zinc/40/93/65/1312409365.db2.gz PZGGTJSTLJQKMJ-HNNXBMFYSA-N 1 0 337.395 2.845 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000903216189 1312470741 /nfs/dbraw/zinc/47/07/41/1312470741.db2.gz WFTUQMZBNHOSRE-CHWSQXEVSA-N 1 0 335.404 2.513 10 5 EFBERO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001164424522 1312511152 /nfs/dbraw/zinc/51/11/52/1312511152.db2.gz BKIGVILMTQPANJ-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269699 1312525314 /nfs/dbraw/zinc/52/53/14/1312525314.db2.gz BCANERPNMCWZRP-CORIIIEPSA-N 1 0 339.436 2.964 10 5 EFBERO CO[C@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000903316062 1312564442 /nfs/dbraw/zinc/56/44/42/1312564442.db2.gz MIQBANGQNOUCOV-NHYWBVRUSA-N 1 0 328.409 2.777 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903350545 1312589763 /nfs/dbraw/zinc/58/97/63/1312589763.db2.gz WUSWXJPMXZWSEW-OAHLLOKOSA-N 1 0 348.443 2.827 10 5 EFBERO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903379654 1312614242 /nfs/dbraw/zinc/61/42/42/1312614242.db2.gz HUQITYUNTVTXIZ-GUYCJALGSA-N 1 0 343.431 2.916 10 5 EFBERO COc1ccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC001261852486 1316433941 /nfs/dbraw/zinc/43/39/41/1316433941.db2.gz FNIWOLZECHICPO-GFCCVEGCSA-N 1 0 333.363 2.901 10 5 EFBERO CCn1cncc1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001263662598 1316554320 /nfs/dbraw/zinc/55/43/20/1316554320.db2.gz GWMNPRZLYAZPMR-UHFFFAOYSA-N 1 0 341.270 2.770 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001265049509 1316701711 /nfs/dbraw/zinc/70/17/11/1316701711.db2.gz LYMGUKXQDIZKDI-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001265470552 1316810505 /nfs/dbraw/zinc/81/05/05/1316810505.db2.gz LUMDGSXVQMLODF-IHXCSDIZSA-N 1 0 331.416 2.934 10 5 EFBERO O=C(CCc1ccoc1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001265534807 1316822229 /nfs/dbraw/zinc/82/22/29/1316822229.db2.gz OIDARLBUFSXLNR-IYBDPMFKSA-N 1 0 343.383 2.557 10 5 EFBERO C[N@H+](CCCNC(=O)C1CC(F)(F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265825288 1316885285 /nfs/dbraw/zinc/88/52/85/1316885285.db2.gz YIYGAWLIDXJRDF-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001265831587 1316887089 /nfs/dbraw/zinc/88/70/89/1316887089.db2.gz LANVUIHVJNORGD-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO Cc1cocc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001265904963 1316909128 /nfs/dbraw/zinc/90/91/28/1316909128.db2.gz VCOVYLCMHVVWDB-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO Cc1coc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001265908135 1316909577 /nfs/dbraw/zinc/90/95/77/1316909577.db2.gz LYYKNLFSVKGUFA-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001266014956 1316953671 /nfs/dbraw/zinc/95/36/71/1316953671.db2.gz OZUMIMWRVZUPDJ-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CCC1([NH2+]Cc2ccc(C)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004427 1317960478 /nfs/dbraw/zinc/96/04/78/1317960478.db2.gz NXPGAHMUTSDUBP-IAGOWNOFSA-N 1 0 345.443 2.521 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H](F)C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301122408 1324523989 /nfs/dbraw/zinc/52/39/89/1324523989.db2.gz RDJKXQWVDXCQTJ-AWEZNQCLSA-N 1 0 335.379 2.698 10 5 EFBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001302477269 1324579177 /nfs/dbraw/zinc/57/91/77/1324579177.db2.gz QPLAPRNIWTUKEN-CQSZACIVSA-N 1 0 334.420 2.650 10 5 EFBERO C[N@H+](CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)CC(C)(C)C ZINC001306866184 1324726984 /nfs/dbraw/zinc/72/69/84/1324726984.db2.gz VBXVIEQIPRWUOX-UHFFFAOYSA-N 1 0 345.403 2.901 10 5 EFBERO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+]2CCCO)cccc1C(F)(F)F ZINC001307125649 1324743199 /nfs/dbraw/zinc/74/31/99/1324743199.db2.gz ONNKOTWHQKNEIM-NSHDSACASA-N 1 0 347.337 2.872 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N3CC[N@H+](C)C(C)(C)C3)c2c1 ZINC001307154991 1324745842 /nfs/dbraw/zinc/74/58/42/1324745842.db2.gz HZXZNICXZUPLBG-UHFFFAOYSA-N 1 0 330.388 2.682 10 5 EFBERO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307781120 1324779816 /nfs/dbraw/zinc/77/98/16/1324779816.db2.gz VVDCMCQYDHTUGQ-YQQAZPJKSA-N 1 0 332.400 2.973 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001308047994 1324790665 /nfs/dbraw/zinc/79/06/65/1324790665.db2.gz RDYVKJRLMWSKJB-AWEZNQCLSA-N 1 0 344.415 2.681 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308099353 1324792461 /nfs/dbraw/zinc/79/24/61/1324792461.db2.gz GBKZCCVEGUWNHU-HNNXBMFYSA-N 1 0 336.392 2.665 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308098898 1324792973 /nfs/dbraw/zinc/79/29/73/1324792973.db2.gz AMOLBCGIVAAUPC-CQSZACIVSA-N 1 0 331.420 2.633 10 5 EFBERO CC[N@H+](CCNC(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317473962 1324795347 /nfs/dbraw/zinc/79/53/47/1324795347.db2.gz BDPUENFWEMFYFE-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO O=C(CC[NH2+]C1([C@H]2CCCO2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001308159732 1324796716 /nfs/dbraw/zinc/79/67/16/1324796716.db2.gz GLGGBSCEGKGLRL-OAHLLOKOSA-N 1 0 333.388 2.615 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(F)CCCC1 ZINC001320776731 1329300933 /nfs/dbraw/zinc/30/09/33/1329300933.db2.gz ALKSPYPNQRYJOP-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CC(C)(C)/C=C/C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320996219 1329328985 /nfs/dbraw/zinc/32/89/85/1329328985.db2.gz CAFZCRFALPVNEO-HJXNJETESA-N 1 0 331.416 2.959 10 5 EFBERO CCC1(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001321198684 1329355835 /nfs/dbraw/zinc/35/58/35/1329355835.db2.gz AJLHNQRIZFMEKX-ARJAWSKDSA-N 1 0 331.416 2.937 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(F)cccc1F ZINC001317655671 1328243668 /nfs/dbraw/zinc/24/36/68/1328243668.db2.gz WLGWBAVYSUVQFC-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001317675897 1328271741 /nfs/dbraw/zinc/27/17/41/1328271741.db2.gz MUYWEWHKNSVCLZ-UHFFFAOYSA-N 1 0 344.415 2.953 10 5 EFBERO C=C/C(C)=C\CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323516054 1329548785 /nfs/dbraw/zinc/54/87/85/1329548785.db2.gz HJNHQSOYIYRYMJ-CPSFFCFKSA-N 1 0 329.400 2.856 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001326246630 1329741734 /nfs/dbraw/zinc/74/17/34/1329741734.db2.gz YQGKWJDKUFFJDH-TZMCWYRMSA-N 1 0 325.796 2.724 10 5 EFBERO O=C(CC(F)(F)F)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326786431 1330363596 /nfs/dbraw/zinc/36/35/96/1330363596.db2.gz RLKIKEYFGUQRCA-UHFFFAOYSA-N 1 0 345.321 2.676 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CC=CC1 ZINC001326802060 1330366028 /nfs/dbraw/zinc/36/60/28/1330366028.db2.gz OFBQLAJWODPUSI-UHFFFAOYSA-N 1 0 329.400 2.690 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001329637064 1330725321 /nfs/dbraw/zinc/72/53/21/1330725321.db2.gz OAPHMJLJVSUXQB-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC001329760161 1330734231 /nfs/dbraw/zinc/73/42/31/1330734231.db2.gz UHCUOMULYBVKIT-HNNXBMFYSA-N 1 0 342.399 2.872 10 5 EFBERO Cc1cccc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001332180389 1330935596 /nfs/dbraw/zinc/93/55/96/1330935596.db2.gz YKDKXLLUEQIZOV-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001332205788 1330940577 /nfs/dbraw/zinc/94/05/77/1330940577.db2.gz IUBAZKHFHHNDTK-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO C[C@H]1COCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001335941888 1331418913 /nfs/dbraw/zinc/41/89/13/1331418913.db2.gz KTRCKGVLAGKJKN-JOYOIKCWSA-N 1 0 329.194 2.872 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001344932688 1332496058 /nfs/dbraw/zinc/49/60/58/1332496058.db2.gz VLIQSRTXSDIJRX-OAHLLOKOSA-N 1 0 348.399 2.622 10 5 EFBERO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110372 1332600524 /nfs/dbraw/zinc/60/05/24/1332600524.db2.gz PXMFCBATMMNYQJ-IAGOWNOFSA-N 1 0 334.347 2.745 10 5 EFBERO C[C@H](CNC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347446347 1332745913 /nfs/dbraw/zinc/74/59/13/1332745913.db2.gz ULLNKTHXCUVYLP-WCVJEAGWSA-N 1 0 345.443 2.935 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001347718228 1332768636 /nfs/dbraw/zinc/76/86/36/1332768636.db2.gz YFPQUGGHMVZCKF-MELADBBJSA-N 1 0 332.404 2.673 10 5 EFBERO CSc1cccc(C(=O)NCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC001347861428 1332778970 /nfs/dbraw/zinc/77/89/70/1332778970.db2.gz KXRFBPFWVIMKPY-UHFFFAOYSA-N 1 0 349.456 2.923 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001348127771 1332801978 /nfs/dbraw/zinc/80/19/78/1332801978.db2.gz RNQADTQCZODIPH-UAXWRAGISA-N 1 0 349.456 2.532 10 5 EFBERO CC1(C)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC001348211745 1332812468 /nfs/dbraw/zinc/81/24/68/1332812468.db2.gz CIOVTROUYREXRA-YFHOEESVSA-N 1 0 331.416 2.987 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001349878646 1333008274 /nfs/dbraw/zinc/00/82/74/1333008274.db2.gz AHTXQDLJACACRI-LBPRGKRZSA-N 1 0 343.374 2.923 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1c(Cl)cccc1[N+](=O)[O-] ZINC001350112308 1333036379 /nfs/dbraw/zinc/03/63/79/1333036379.db2.gz ZAYQRPDZHBIADZ-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@H]2C1 ZINC001350245705 1333053087 /nfs/dbraw/zinc/05/30/87/1333053087.db2.gz KPKVQIVOZCZDOC-PXAZEXFGSA-N 1 0 340.383 2.916 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCC3(COC3)C2)c(Br)c1 ZINC001350395586 1333075093 /nfs/dbraw/zinc/07/50/93/1333075093.db2.gz ZPLYNKRVZNDVLL-UHFFFAOYSA-N 1 0 327.178 2.580 10 5 EFBERO CNc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001350603226 1333102321 /nfs/dbraw/zinc/10/23/21/1333102321.db2.gz PLEFFZCZDBAUBD-CYBMUJFWSA-N 1 0 346.431 2.725 10 5 EFBERO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)CCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001352188953 1333419606 /nfs/dbraw/zinc/41/96/06/1333419606.db2.gz HSAPJTCNYNWJAI-DJIMGWMZSA-N 1 0 345.443 2.716 10 5 EFBERO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001352970304 1333837654 /nfs/dbraw/zinc/83/76/54/1333837654.db2.gz QFQWUVOHABHMPE-GFCCVEGCSA-N 1 0 335.379 2.823 10 5 EFBERO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001472263252 1334128900 /nfs/dbraw/zinc/12/89/00/1334128900.db2.gz QLOBILWHJSRUFC-UHFFFAOYSA-N 1 0 341.839 2.837 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1CCc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001354194711 1334158555 /nfs/dbraw/zinc/15/85/55/1334158555.db2.gz VFQOBLWXQLRJQY-CQSZACIVSA-N 1 0 346.362 2.711 10 5 EFBERO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481264 1334737749 /nfs/dbraw/zinc/73/77/49/1334737749.db2.gz XLVJTKUVNPDCRU-YSVLISHTSA-N 1 0 331.416 2.989 10 5 EFBERO CC(C)OCCC[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481290 1334738193 /nfs/dbraw/zinc/73/81/93/1334738193.db2.gz XOLYDBOHVROGJL-QGZVFWFLSA-N 1 0 349.431 2.615 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000848482669 1334740428 /nfs/dbraw/zinc/74/04/28/1334740428.db2.gz SSYGXKHNZDQUDB-WMLDXEAASA-N 1 0 342.399 2.917 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC2(CCC2)C1 ZINC000848482565 1334740495 /nfs/dbraw/zinc/74/04/95/1334740495.db2.gz QPYKMNXQINBLMC-INIZCTEOSA-N 1 0 329.400 2.744 10 5 EFBERO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CC(C)(C)C1 ZINC000848488552 1334746183 /nfs/dbraw/zinc/74/61/83/1334746183.db2.gz LFMIEBJNAYLCAQ-INIZCTEOSA-N 1 0 331.416 2.989 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523336 1334772178 /nfs/dbraw/zinc/77/21/78/1334772178.db2.gz AINXDLDKGPHDDT-DOTOQJQBSA-N 1 0 328.368 2.914 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848570989 1334799402 /nfs/dbraw/zinc/79/94/02/1334799402.db2.gz OEADXHORSJMPMD-SMDDNHRTSA-N 1 0 349.387 2.627 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848570988 1334799446 /nfs/dbraw/zinc/79/94/46/1334799446.db2.gz OEADXHORSJMPMD-RISCZKNCSA-N 1 0 349.387 2.627 10 5 EFBERO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848922995 1334989866 /nfs/dbraw/zinc/98/98/66/1334989866.db2.gz BIAGYTUIPFHSMI-UPJWGTAASA-N 1 0 341.839 2.836 10 5 EFBERO C[C@H]1CCCN(C(=[NH2+])NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000849081409 1335071761 /nfs/dbraw/zinc/07/17/61/1335071761.db2.gz XCYIAGOSMTTZRO-LBPRGKRZSA-N 1 0 329.404 2.875 10 5 EFBERO C[N@H+](CCNC(=O)Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492841010 1358752462 /nfs/dbraw/zinc/75/24/62/1358752462.db2.gz FVHDUJOOQSZNRL-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)CCCF)CC1 ZINC001506964599 1406515285 /nfs/dbraw/zinc/51/52/85/1406515285.db2.gz UEYGAGSMMWVKBI-UHFFFAOYSA-N 1 0 337.395 2.767 10 5 EFBERO O=C(Nc1ccc2c[nH+]cn2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001456450937 1394694695 /nfs/dbraw/zinc/69/46/95/1394694695.db2.gz ZJYAKUIDGNSSLJ-UHFFFAOYSA-N 1 0 348.322 2.681 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456758586 1394794180 /nfs/dbraw/zinc/79/41/80/1394794180.db2.gz LTDGSFRUKTUNML-NVXWUHKLSA-N 1 0 345.443 2.622 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC001457275511 1395053304 /nfs/dbraw/zinc/05/33/04/1395053304.db2.gz HKVAEGVHGICCGY-UHFFFAOYSA-N 1 0 346.431 2.825 10 5 EFBERO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC001458220845 1395426415 /nfs/dbraw/zinc/42/64/15/1395426415.db2.gz QZFYCFQYLIRSPX-AWEZNQCLSA-N 1 0 337.395 2.903 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001458432305 1395466426 /nfs/dbraw/zinc/46/64/26/1395466426.db2.gz QDGNWTGZAFNXPY-CYBMUJFWSA-N 1 0 335.404 2.834 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)nc1-c1ccccc1 ZINC001458560925 1395498962 /nfs/dbraw/zinc/49/89/62/1395498962.db2.gz CQGRRBSDLQIIFN-CYBMUJFWSA-N 1 0 330.413 2.774 10 5 EFBERO COc1cccc(C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001458719780 1395562351 /nfs/dbraw/zinc/56/23/51/1395562351.db2.gz CJDUGKOCTCTRDI-AWEZNQCLSA-N 1 0 345.374 2.763 10 5 EFBERO C[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460128208 1396005962 /nfs/dbraw/zinc/00/59/62/1396005962.db2.gz INHKBKQUGZZIIP-SJLPKXTDSA-N 1 0 347.459 2.743 10 5 EFBERO CC(C)(C)OC(=O)NC[C@H]1CCCC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC001460983760 1396277984 /nfs/dbraw/zinc/27/79/84/1396277984.db2.gz VZQORESTAZNGKH-CQSZACIVSA-N 1 0 341.452 2.670 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001465535916 1396688591 /nfs/dbraw/zinc/68/85/91/1396688591.db2.gz BGUFPKRHANJHCK-AWEZNQCLSA-N 1 0 346.431 2.631 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001466056487 1396734702 /nfs/dbraw/zinc/73/47/02/1396734702.db2.gz MCPQMJUVCWXWJT-WCQYABFASA-N 1 0 339.823 2.985 10 5 EFBERO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001467509874 1396863382 /nfs/dbraw/zinc/86/33/82/1396863382.db2.gz ASORUFPAHCOBRG-UHFFFAOYSA-N 1 0 339.823 2.735 10 5 EFBERO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC001468885084 1396988866 /nfs/dbraw/zinc/98/88/66/1396988866.db2.gz KMRVUJREIBHFAF-UHFFFAOYSA-N 1 0 347.346 2.927 10 5 EFBERO C[C@@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001471464192 1397174405 /nfs/dbraw/zinc/17/44/05/1397174405.db2.gz HGYSPSRIBQNWNM-AWEZNQCLSA-N 1 0 348.447 2.729 10 5 EFBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001471919659 1397223027 /nfs/dbraw/zinc/22/30/27/1397223027.db2.gz SMAUSSNLHFTUKJ-UHFFFAOYSA-N 1 0 346.431 2.704 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001472025943 1397236107 /nfs/dbraw/zinc/23/61/07/1397236107.db2.gz ITDKOELXLHWTCL-LBPRGKRZSA-N 1 0 345.321 2.684 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001472350303 1397256775 /nfs/dbraw/zinc/25/67/75/1397256775.db2.gz USRKQHWCIQHIMD-MJBXVCDLSA-N 1 0 349.406 2.845 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC001472654832 1397266773 /nfs/dbraw/zinc/26/67/73/1397266773.db2.gz NCGJSCZJJPKDAQ-CYBMUJFWSA-N 1 0 347.415 2.976 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ncco2)CC1 ZINC001473703344 1397323445 /nfs/dbraw/zinc/32/34/45/1397323445.db2.gz IXHFKJUZHPORMS-GFCCVEGCSA-N 1 0 344.371 2.789 10 5 EFBERO CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479280705 1397665980 /nfs/dbraw/zinc/66/59/80/1397665980.db2.gz QIUJBMUFUOXRNJ-BJHJDKERSA-N 1 0 325.434 2.831 10 5 EFBERO CC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479337491 1397691112 /nfs/dbraw/zinc/69/11/12/1397691112.db2.gz ARIGEHNBWVCXCR-KLPPZKSPSA-N 1 0 325.434 2.687 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479393410 1397713416 /nfs/dbraw/zinc/71/34/16/1397713416.db2.gz QMINHGHRKLRIPR-JOCQHMNTSA-N 1 0 341.358 2.625 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480197414 1398162659 /nfs/dbraw/zinc/16/26/59/1398162659.db2.gz VCIYZFRCHAPTNS-LAELXIFRSA-N 1 0 331.416 2.934 10 5 EFBERO O=C(NCC[N@H+](CCC1CCCCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493371552 1398647955 /nfs/dbraw/zinc/64/79/55/1398647955.db2.gz ZMCLFUBUMVAIFU-IAGOWNOFSA-N 1 0 337.464 2.593 10 5 EFBERO Cc1csc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001493534978 1398744460 /nfs/dbraw/zinc/74/44/60/1398744460.db2.gz LFRMSEBFEFCQFC-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO C[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001493769383 1398872527 /nfs/dbraw/zinc/87/25/27/1398872527.db2.gz DQBIERLZCSIYSE-SHTZXODSSA-N 1 0 333.432 2.969 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001493848725 1398920420 /nfs/dbraw/zinc/92/04/20/1398920420.db2.gz OMZNSMCKTOVHNE-UHFFFAOYSA-N 1 0 343.374 2.967 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001493852383 1398924765 /nfs/dbraw/zinc/92/47/65/1398924765.db2.gz VAZZMTLWSBEGSW-UHFFFAOYSA-N 1 0 344.415 2.953 10 5 EFBERO CC(C)OCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001495898839 1400341564 /nfs/dbraw/zinc/34/15/64/1400341564.db2.gz HQYOSPXXLYZCGL-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccon1 ZINC001507766760 1407148856 /nfs/dbraw/zinc/14/88/56/1407148856.db2.gz FRDKNTWKQXRSLK-UHFFFAOYSA-N 1 0 346.387 2.565 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1C ZINC001497348680 1401319949 /nfs/dbraw/zinc/31/99/49/1401319949.db2.gz NOFUNXBRFFYLIR-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001497445100 1401379671 /nfs/dbraw/zinc/37/96/71/1401379671.db2.gz PFAZSYKUUIEVTM-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001497517435 1401431888 /nfs/dbraw/zinc/43/18/88/1401431888.db2.gz JUWUWYFRKIDNLJ-OWOJBTEDSA-N 1 0 343.358 2.810 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC001497612289 1401494205 /nfs/dbraw/zinc/49/42/05/1401494205.db2.gz SQPCDAPSTUZVEW-OWOJBTEDSA-N 1 0 343.427 2.937 10 5 EFBERO Cc1ccoc1CC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497672022 1401539156 /nfs/dbraw/zinc/53/91/56/1401539156.db2.gz DHWXODZPHMELGK-IHWYPQMZSA-N 1 0 343.383 2.501 10 5 EFBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)F ZINC001497673051 1401539423 /nfs/dbraw/zinc/53/94/23/1401539423.db2.gz LDEHGPTUPREQGC-AATRIKPKSA-N 1 0 341.358 2.648 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccco1 ZINC001498507058 1402152019 /nfs/dbraw/zinc/15/20/19/1402152019.db2.gz CEMWIXVNGRTXAK-MDZDMXLPSA-N 1 0 343.383 2.839 10 5 EFBERO CC/C=C(/C)C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001498522468 1402159218 /nfs/dbraw/zinc/15/92/18/1402159218.db2.gz AIUNCJGIHJYDRX-SDQBBNPISA-N 1 0 325.434 2.951 10 5 EFBERO CC/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001501209213 1403493627 /nfs/dbraw/zinc/49/36/27/1403493627.db2.gz WWXPTGWVHYIBEL-HUKDTRKISA-N 1 0 343.427 2.841 10 5 EFBERO C/C=C(\C)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508200243 1407340259 /nfs/dbraw/zinc/34/02/59/1407340259.db2.gz KBMGLCQLTXZJFN-LZWSPWQCSA-N 1 0 329.400 2.809 10 5 EFBERO O=C(NC1(C[NH2+]CC2CCCCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001506506461 1405873813 /nfs/dbraw/zinc/87/38/13/1405873813.db2.gz XPSQGGZDXXYZMS-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001557695161 1415138811 /nfs/dbraw/zinc/13/88/11/1415138811.db2.gz QIXRRNNTGGGFLG-GJZGRUSLSA-N 1 0 335.379 2.645 10 5 EFBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001557952984 1415152641 /nfs/dbraw/zinc/15/26/41/1415152641.db2.gz UULBOFDSORMHMG-HNNXBMFYSA-N 1 0 348.447 2.660 10 5 EFBERO COC(=O)Cc1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC001559207178 1415229957 /nfs/dbraw/zinc/22/99/57/1415229957.db2.gz CUMRGCQWEVJHLP-UHFFFAOYSA-N 1 0 335.404 2.597 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C)cc1C ZINC001559296171 1415238190 /nfs/dbraw/zinc/23/81/90/1415238190.db2.gz FDHYDHIDHIHZME-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO C[N@@H+]1C[C@@]23CN(c4c([N+](=O)[O-])cccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001559305104 1415238652 /nfs/dbraw/zinc/23/86/52/1415238652.db2.gz VMMBATHTZZAWSF-CALCHBBNSA-N 1 0 346.387 2.815 10 5 EFBERO COC1(c2nccn2C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001560116039 1415262901 /nfs/dbraw/zinc/26/29/01/1415262901.db2.gz QAUHHMLGOFCODF-UHFFFAOYSA-N 1 0 348.378 2.605 10 5 EFBERO CCOc1cc(C[N@@H+]2CC[C@@H](c3cnccn3)C2)ccc1[N+](=O)[O-] ZINC001560176746 1415266331 /nfs/dbraw/zinc/26/63/31/1415266331.db2.gz GLJPSWAMPDPXMR-CQSZACIVSA-N 1 0 328.372 2.773 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001560232077 1415269843 /nfs/dbraw/zinc/26/98/43/1415269843.db2.gz LLJKDIMZSRJCLP-MRXNPFEDSA-N 1 0 347.415 2.781 10 5 EFBERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565913622 1415448709 /nfs/dbraw/zinc/44/87/09/1415448709.db2.gz GYEPOVVWQZEAOH-BXUZGUMPSA-N 1 0 339.823 2.589 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)n1 ZINC001566214547 1415535125 /nfs/dbraw/zinc/53/51/25/1415535125.db2.gz JZEWTKFGXUTPSD-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001566463836 1415562933 /nfs/dbraw/zinc/56/29/33/1415562933.db2.gz MTLASEKGAQPKFW-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001566852457 1415798993 /nfs/dbraw/zinc/79/89/93/1415798993.db2.gz VVPQLOOPLLZZCA-GASCZTMLSA-N 1 0 331.416 2.912 10 5 EFBERO CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CC1 ZINC001566975316 1415884813 /nfs/dbraw/zinc/88/48/13/1415884813.db2.gz JDGOSUYQOATKJY-FVQHAEBGSA-N 1 0 343.427 2.722 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccccc1O)Cc1ccc([N+](=O)[O-])cc1 ZINC001567327242 1416074832 /nfs/dbraw/zinc/07/48/32/1416074832.db2.gz KORTWOZTAMUMAT-UHFFFAOYSA-N 1 0 343.383 2.552 10 5 EFBERO CCC[N@H+](CCNC(=O)c1c[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567433327 1416136732 /nfs/dbraw/zinc/13/67/32/1416136732.db2.gz XOUYNEIRJGBIFT-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO O=C(CC(F)(F)F)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001567438032 1416138122 /nfs/dbraw/zinc/13/81/22/1416138122.db2.gz WONGKUHZAZDDJB-UHFFFAOYSA-N 1 0 345.321 2.628 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001567636034 1416220248 /nfs/dbraw/zinc/22/02/48/1416220248.db2.gz OJKFTACIPPYABD-UHFFFAOYSA-N 1 0 329.347 2.577 10 5 EFBERO Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001684706438 1416728652 /nfs/dbraw/zinc/72/86/52/1416728652.db2.gz KUUSYXAQINPNID-UHFFFAOYSA-N 1 0 348.447 2.967 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CC1 ZINC001691794866 1417248436 /nfs/dbraw/zinc/24/84/36/1417248436.db2.gz QTPIYIHDUUBPNG-KOMQPUFPSA-N 1 0 343.427 2.769 10 5 EFBERO C[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1[N+](=O)[O-] ZINC001712966327 1418304150 /nfs/dbraw/zinc/30/41/50/1418304150.db2.gz AHDVMXUZDSWWMI-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO O=C(CCC1CCC1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001713156676 1418343473 /nfs/dbraw/zinc/34/34/73/1418343473.db2.gz JREXCPKMWULIRK-HDJSIYSDSA-N 1 0 337.445 2.973 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713198787 1418372511 /nfs/dbraw/zinc/37/25/11/1418372511.db2.gz IMSCRRIYUQRSOC-IYBDPMFKSA-N 1 0 331.416 2.912 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC001715856635 1418689493 /nfs/dbraw/zinc/68/94/93/1418689493.db2.gz GMDGMVLIYXXDBE-ONEGZZNKSA-N 1 0 343.427 2.937 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C)o1 ZINC001716205592 1418724733 /nfs/dbraw/zinc/72/47/33/1418724733.db2.gz UYEZRDGRGACNSE-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(/C=C/c1ccco1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716674010 1418954324 /nfs/dbraw/zinc/95/43/24/1418954324.db2.gz JGAPJNRDWFQCTD-BQYQJAHWSA-N 1 0 341.367 2.640 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC001716679223 1418956895 /nfs/dbraw/zinc/95/68/95/1418956895.db2.gz FZBKFLYKBXHYQL-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO O=C(CC(F)(F)F)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001717636729 1419482499 /nfs/dbraw/zinc/48/24/99/1419482499.db2.gz BMZSMTIXYVSGPX-UMSPYCQHSA-N 1 0 345.321 2.532 10 5 EFBERO CCCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001723554359 1424522514 /nfs/dbraw/zinc/52/25/14/1424522514.db2.gz QREIZRVGHOTCOE-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CCCCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001724781811 1425009062 /nfs/dbraw/zinc/00/90/62/1425009062.db2.gz HKWHOSWDRKEPTR-UHFFFAOYSA-N 1 0 325.434 2.975 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001724784953 1425011553 /nfs/dbraw/zinc/01/15/53/1425011553.db2.gz XHISYBKTODXGKQ-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001724838039 1425051912 /nfs/dbraw/zinc/05/19/12/1425051912.db2.gz DKKVWYXWPOYHEP-UHFFFAOYSA-N 1 0 325.384 2.623 10 5 EFBERO CC/C(C)=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001725353974 1425501073 /nfs/dbraw/zinc/50/10/73/1425501073.db2.gz DQZNRTDPMBCUDX-KQBPZZRCSA-N 1 0 331.416 2.936 10 5 EFBERO Cc1ccc(C)c(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c1 ZINC001725729566 1425800927 /nfs/dbraw/zinc/80/09/27/1425800927.db2.gz ZBZVKLCBJGAIPK-QZTJIDSGSA-N 1 0 347.459 2.637 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926014063 713468169 /nfs/dbraw/zinc/46/81/69/713468169.db2.gz YRTRMGDHNLJRHQ-HNNXBMFYSA-N 1 0 338.795 2.998 10 5 EFBERO C[C@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000235552367 717939286 /nfs/dbraw/zinc/93/92/86/717939286.db2.gz IESHYIHKQTVDFI-JTQLQIEISA-N 1 0 343.221 2.950 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000924383587 715078943 /nfs/dbraw/zinc/07/89/43/715078943.db2.gz GGTJHDAVXPLIAC-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO O=[N+]([O-])c1cn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176204166 715193318 /nfs/dbraw/zinc/19/33/18/715193318.db2.gz QRHQYTGHTHLHHK-HUUCEWRRSA-N 1 0 327.388 2.933 10 5 EFBERO CC[C@@H](NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449129 715519352 /nfs/dbraw/zinc/51/93/52/715519352.db2.gz FMWXASHASQZIMG-HZPDHXFCSA-N 1 0 334.420 2.782 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000893449886 715527182 /nfs/dbraw/zinc/52/71/82/715527182.db2.gz KBHAGSFAWMSATR-XJKSGUPXSA-N 1 0 334.420 2.829 10 5 EFBERO CC1(C)COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000313018914 715555697 /nfs/dbraw/zinc/55/56/97/715555697.db2.gz KFNGHXQHELNHPJ-LLVKDONJSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@H]1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209679 716777839 /nfs/dbraw/zinc/77/78/39/716777839.db2.gz AOTNWHSPRHCVDL-GWCFXTLKSA-N 1 0 342.237 2.930 10 5 EFBERO Cc1cc2oc(=O)cc(C[N+]34CCN(CC3)CC4)c2cc1C(C)C ZINC000007613063 717105271 /nfs/dbraw/zinc/10/52/71/717105271.db2.gz LDNPJLFOOHMBRE-UHFFFAOYSA-N 1 0 327.448 2.871 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)cn1 ZINC000895677970 724249209 /nfs/dbraw/zinc/24/92/09/724249209.db2.gz WFVCZIBRRMQODH-INIZCTEOSA-N 1 0 346.431 2.650 10 5 EFBERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000311533900 718751224 /nfs/dbraw/zinc/75/12/24/718751224.db2.gz YOZNASXUQJJONW-KOLCDFICSA-N 1 0 329.194 2.872 10 5 EFBERO C/C(=C/C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781192 719164606 /nfs/dbraw/zinc/16/46/06/719164606.db2.gz WOPVAVJVBQBYES-FWFZHJKVSA-N 1 0 329.400 2.599 10 5 EFBERO C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925855561 719850903 /nfs/dbraw/zinc/85/09/03/719850903.db2.gz PEFAXEVCTQPGFJ-NOZJJQNGSA-N 1 0 332.326 2.512 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841103620 720311313 /nfs/dbraw/zinc/31/13/13/720311313.db2.gz QVIQOWFKOACCBW-HNNXBMFYSA-N 1 0 338.795 2.856 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841103939 720362688 /nfs/dbraw/zinc/36/26/88/720362688.db2.gz SZLHOEOYXUXGSB-OAHLLOKOSA-N 1 0 338.795 2.856 10 5 EFBERO C[C@H]1CN(CCCOC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893394767 721363853 /nfs/dbraw/zinc/36/38/53/721363853.db2.gz XGSGYLAQLSXIOS-NSHDSACASA-N 1 0 342.779 2.516 10 5 EFBERO C[N@@H+]1CC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000895940515 723065280 /nfs/dbraw/zinc/06/52/80/723065280.db2.gz RFOHOZBWVIJEDM-ROUUACIJSA-N 1 0 339.395 2.904 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897021709 723953670 /nfs/dbraw/zinc/95/36/70/723953670.db2.gz ACPVACOPBFGKOT-GQPJMJRUSA-N 1 0 345.399 2.819 10 5 EFBERO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCOC1 ZINC000895664800 724246408 /nfs/dbraw/zinc/24/64/08/724246408.db2.gz WMOACQOBKPGJSZ-RHSMWYFYSA-N 1 0 348.447 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC4(CCC4)CO3)CC2)cn1 ZINC000895788872 724315066 /nfs/dbraw/zinc/31/50/66/724315066.db2.gz JOMBAXAZBNJNTE-MRXNPFEDSA-N 1 0 346.431 2.507 10 5 EFBERO CC1(C)CO[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895802802 724324579 /nfs/dbraw/zinc/32/45/79/724324579.db2.gz QADWGOBGFZDAIR-MRXNPFEDSA-N 1 0 348.447 2.753 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)O2 ZINC000895817973 724330755 /nfs/dbraw/zinc/33/07/55/724330755.db2.gz AALKNKJVUMNTLW-IDCJVQTKSA-N 1 0 334.416 2.700 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000913760140 725851087 /nfs/dbraw/zinc/85/10/87/725851087.db2.gz HGXJLPBISZDJMM-CABZTGNLSA-N 1 0 341.770 2.554 10 5 EFBERO CC1([NH+]2CCC2)CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000915089600 726866287 /nfs/dbraw/zinc/86/62/87/726866287.db2.gz FTCUGKNCQIEHTI-UHFFFAOYSA-N 1 0 346.431 2.801 10 5 EFBERO C[C@@H]1[C@H](C)N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000907204650 726884290 /nfs/dbraw/zinc/88/42/90/726884290.db2.gz FKWCVXCSCDAGBC-NEPJUHHUSA-N 1 0 339.823 2.732 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000915211480 726898715 /nfs/dbraw/zinc/89/87/15/726898715.db2.gz UAIHRPCERBSHSE-RRFAQUSLSA-N 1 0 345.399 2.677 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000915211482 726898760 /nfs/dbraw/zinc/89/87/60/726898760.db2.gz UAIHRPCERBSHSE-UMSKNGNOSA-N 1 0 345.399 2.677 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000741491316 726911125 /nfs/dbraw/zinc/91/11/25/726911125.db2.gz ONIAVSAMSKDLHQ-IUODEOHRSA-N 1 0 336.461 2.954 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000741491320 726911211 /nfs/dbraw/zinc/91/12/11/726911211.db2.gz ONIAVSAMSKDLHQ-WFASDCNBSA-N 1 0 336.461 2.954 10 5 EFBERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908412511 727181061 /nfs/dbraw/zinc/18/10/61/727181061.db2.gz DOXSKCIXWZNOKN-XHDPSFHLSA-N 1 0 339.823 2.732 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912284356 727687946 /nfs/dbraw/zinc/68/79/46/727687946.db2.gz PXFJJRVSPHCXNE-SNVBAGLBSA-N 1 0 343.786 2.990 10 5 EFBERO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912323489 727695841 /nfs/dbraw/zinc/69/58/41/727695841.db2.gz ZWRFVKZVPSCYBN-UHFFFAOYSA-N 1 0 344.198 2.822 10 5 EFBERO C[C@H](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000912387324 727700689 /nfs/dbraw/zinc/70/06/89/727700689.db2.gz OIVSLYZAWXFDRY-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO Cc1cc(F)cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000912598286 727728086 /nfs/dbraw/zinc/72/80/86/727728086.db2.gz FEILQJKFUYTPRC-KGLIPLIRSA-N 1 0 335.379 2.645 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912651438 727732607 /nfs/dbraw/zinc/73/26/07/727732607.db2.gz VUSWZWPHVFBHEU-STQMWFEESA-N 1 0 334.420 2.512 10 5 EFBERO CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000912874513 727753600 /nfs/dbraw/zinc/75/36/00/727753600.db2.gz BYSISDIYDJWGHU-UHFFFAOYSA-N 1 0 349.406 2.708 10 5 EFBERO C/C(=C/C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000912875435 727753750 /nfs/dbraw/zinc/75/37/50/727753750.db2.gz FQKZQHNCUHFALX-YPKPFQOOSA-N 1 0 329.400 2.695 10 5 EFBERO CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000912878687 727754007 /nfs/dbraw/zinc/75/40/07/727754007.db2.gz BHUJTLHBJOZGHJ-UHFFFAOYSA-N 1 0 331.416 2.569 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913281119 727814419 /nfs/dbraw/zinc/81/44/19/727814419.db2.gz LNSLFIOMBDPSEL-NPKYINPLSA-N 1 0 343.427 2.798 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913281118 727814478 /nfs/dbraw/zinc/81/44/78/727814478.db2.gz LNSLFIOMBDPSEL-NIKHWINYSA-N 1 0 343.427 2.798 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913293719 727818022 /nfs/dbraw/zinc/81/80/22/727818022.db2.gz CJAXZMKBGZWXHS-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@@]2(C)C1 ZINC000913296252 727818350 /nfs/dbraw/zinc/81/83/50/727818350.db2.gz XYGCCSQAYSCQJU-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385552 727830968 /nfs/dbraw/zinc/83/09/68/727830968.db2.gz ABSGLENHJYBSBZ-GFCCVEGCSA-N 1 0 343.786 2.878 10 5 EFBERO CC(C)[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000913385372 727830972 /nfs/dbraw/zinc/83/09/72/727830972.db2.gz YUUBSCLETSHLRX-ZDUSSCGKSA-N 1 0 331.775 2.590 10 5 EFBERO CC[NH+](CC)C[C@H](C)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000921054838 729256278 /nfs/dbraw/zinc/25/62/78/729256278.db2.gz CMSRENSYBPXLAY-FROQITRMSA-N 1 0 335.404 2.923 10 5 EFBERO O=C(CCC1CCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001569394492 1085176925 /nfs/dbraw/zinc/17/69/25/1085176925.db2.gz JHJPCEHCGGBYLP-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC1(CNC(=O)C2CC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001569696287 1085527180 /nfs/dbraw/zinc/52/71/80/1085527180.db2.gz AQDGRSXPRNSJEU-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(F)F ZINC001570207643 1086052127 /nfs/dbraw/zinc/05/21/27/1086052127.db2.gz XWNGIJASDXVKBP-UHFFFAOYSA-N 1 0 343.374 2.920 10 5 EFBERO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC001570233325 1086074532 /nfs/dbraw/zinc/07/45/32/1086074532.db2.gz RYKBIWTVSKPXCK-UHFFFAOYSA-N 1 0 345.403 2.893 10 5 EFBERO CCCCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001570311089 1086139054 /nfs/dbraw/zinc/13/90/54/1086139054.db2.gz NUVFXXKGRWOQHW-QZTJIDSGSA-N 1 0 345.443 2.864 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001570619441 1086413112 /nfs/dbraw/zinc/41/31/12/1086413112.db2.gz PKQXPENSDLIDGN-HUUCEWRRSA-N 1 0 333.432 2.717 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646593017 1087900782 /nfs/dbraw/zinc/90/07/82/1087900782.db2.gz QYSYELNTWDBURX-PMPSAXMXSA-N 1 0 331.416 2.545 10 5 EFBERO CC1(C)CC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001647814946 1089884996 /nfs/dbraw/zinc/88/49/96/1089884996.db2.gz VMDUVUNLACZNBH-UHFFFAOYSA-N 1 0 339.823 2.639 10 5 EFBERO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001647832740 1089891935 /nfs/dbraw/zinc/89/19/35/1089891935.db2.gz ZTSPGONTMMUULK-HOTGVXAUSA-N 1 0 331.416 2.760 10 5 EFBERO CC[NH+](CC)CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC001648042317 1089933680 /nfs/dbraw/zinc/93/36/80/1089933680.db2.gz PQVNRVJUBGBKKC-AWEZNQCLSA-N 1 0 345.403 2.521 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648106998 1089942905 /nfs/dbraw/zinc/94/29/05/1089942905.db2.gz NBTPSBKEIOHKAM-UHFFFAOYSA-N 1 0 337.420 2.843 10 5 EFBERO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001648276864 1089970427 /nfs/dbraw/zinc/97/04/27/1089970427.db2.gz AVEPTCBKAHAOLV-GFCCVEGCSA-N 1 0 339.351 2.542 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCOCC23CCCC3)c1 ZINC001620677430 1091119663 /nfs/dbraw/zinc/11/96/63/1091119663.db2.gz PVJSTXAEFPBDAJ-MRXNPFEDSA-N 1 0 348.399 2.820 10 5 EFBERO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc2c[nH+]cn2c1 ZINC001583399637 1091990825 /nfs/dbraw/zinc/99/08/25/1091990825.db2.gz VLYQQRWUBYSOOI-UHFFFAOYSA-N 1 0 349.350 2.514 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@]2(CO)c2ccccc2)cc1 ZINC001648634706 1092243400 /nfs/dbraw/zinc/24/34/00/1092243400.db2.gz JIODEFFRSJFTGP-RTBURBONSA-N 1 0 342.395 2.612 10 5 EFBERO CC(C)c1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001648672408 1092249242 /nfs/dbraw/zinc/24/92/42/1092249242.db2.gz AUJXMNPQPVWQRC-UHFFFAOYSA-N 1 0 341.411 2.938 10 5 EFBERO CN(CCNC(=O)c1ccc(F)c(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001267198839 1093165440 /nfs/dbraw/zinc/16/54/40/1093165440.db2.gz AHMNWNHKHDAZRB-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CCN(CCNC(=O)c1ccncc1C)Cc1ccccc1[N+](=O)[O-] ZINC001267241375 1093339584 /nfs/dbraw/zinc/33/95/84/1093339584.db2.gz VEHOFBDFMNBJFU-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cn1cc([N+](=O)[O-])c(Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC001650697135 1093484567 /nfs/dbraw/zinc/48/45/67/1093484567.db2.gz IKWXYPVOWFQKFV-UHFFFAOYSA-N 1 0 347.444 2.663 10 5 EFBERO CC1(CC(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001267330011 1093593333 /nfs/dbraw/zinc/59/33/33/1093593333.db2.gz XZHGCEGXSQVNMT-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001596227570 1094520776 /nfs/dbraw/zinc/52/07/76/1094520776.db2.gz BSPMYEIOZSGJPY-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001596691847 1094543553 /nfs/dbraw/zinc/54/35/53/1094543553.db2.gz MQRDOBGYQVDLAZ-UHFFFAOYSA-N 1 0 330.731 2.826 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCC1(C)CC1 ZINC001267448688 1094544893 /nfs/dbraw/zinc/54/48/93/1094544893.db2.gz LPBHNNGHAUKBQP-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[C@@H]3COC[C@@H]3C2)c1Br ZINC000690777021 1094571376 /nfs/dbraw/zinc/57/13/76/1094571376.db2.gz SYBQYBFMJCJBKU-NEPJUHHUSA-N 1 0 341.205 2.826 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccccc1 ZINC001267461086 1094578427 /nfs/dbraw/zinc/57/84/27/1094578427.db2.gz ZQLJJKFNWFGQBS-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO CC(C)c1nc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c[nH]1 ZINC001597806147 1094625735 /nfs/dbraw/zinc/62/57/35/1094625735.db2.gz HNLPIZRBFMKLDJ-UHFFFAOYSA-N 1 0 332.360 2.527 10 5 EFBERO CC(C)n1cccc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480947223 1094715287 /nfs/dbraw/zinc/71/52/87/1094715287.db2.gz NCSFRBJADKNJHB-UHFFFAOYSA-N 1 0 344.415 2.839 10 5 EFBERO C/C(=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000785336964 1094834674 /nfs/dbraw/zinc/83/46/74/1094834674.db2.gz MNHCUXPLWALKPY-WEGGENQUSA-N 1 0 329.400 2.741 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C\c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480972031 1095626607 /nfs/dbraw/zinc/62/66/07/1095626607.db2.gz ZLQNWOLRNLRZQK-YFHOEESVSA-N 1 0 342.399 2.574 10 5 EFBERO CCc1[nH]ccc1C(=O)N(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268447943 1096603803 /nfs/dbraw/zinc/60/38/03/1096603803.db2.gz FQJKALTZRITBMU-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001268504289 1097029235 /nfs/dbraw/zinc/02/92/35/1097029235.db2.gz DLAGMRCKLAABKC-PLNGDYQASA-N 1 0 325.368 2.671 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001268510765 1097089297 /nfs/dbraw/zinc/08/92/97/1097089297.db2.gz OQRSNOTVUIJDSE-OWOJBTEDSA-N 1 0 331.397 2.732 10 5 EFBERO C/C(=C\C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001268515370 1097116381 /nfs/dbraw/zinc/11/63/81/1097116381.db2.gz AVUMPLFWLSISJK-GNRBKEDQSA-N 1 0 329.400 2.713 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001606969200 1097484815 /nfs/dbraw/zinc/48/48/15/1097484815.db2.gz AHZIDNNQMUBLAN-CZUORRHYSA-N 1 0 346.431 2.512 10 5 EFBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001268780174 1097629479 /nfs/dbraw/zinc/62/94/79/1097629479.db2.gz QHJAVPPVWTYYHF-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC001268842568 1097680242 /nfs/dbraw/zinc/68/02/42/1097680242.db2.gz HVHPMFDKRVGPKB-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO O=C(CCC(F)(F)F)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269394145 1098110395 /nfs/dbraw/zinc/11/03/95/1098110395.db2.gz WNTXWJIKSXCPMS-UHFFFAOYSA-N 1 0 345.321 2.676 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001611165641 1098985760 /nfs/dbraw/zinc/98/57/60/1098985760.db2.gz QYGKZYXVGDHYGS-RHSMWYFYSA-N 1 0 333.432 2.887 10 5 EFBERO CC(C)[NH+]1CCN(c2cccc(Nc3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC001612217553 1099047230 /nfs/dbraw/zinc/04/72/30/1099047230.db2.gz BWDVAFSYPMCJMT-UHFFFAOYSA-N 1 0 344.419 2.602 10 5 EFBERO CCC(CC)[NH2+]CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001612557359 1099067418 /nfs/dbraw/zinc/06/74/18/1099067418.db2.gz OWDWPFGNBVZAJM-VQHVLOKHSA-N 1 0 335.404 2.971 10 5 EFBERO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001613092806 1099090375 /nfs/dbraw/zinc/09/03/75/1099090375.db2.gz OYKSGGRFSMVDBJ-AWEZNQCLSA-N 1 0 345.374 2.763 10 5 EFBERO Cc1nc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001481312639 1099227528 /nfs/dbraw/zinc/22/75/28/1099227528.db2.gz WMFCHAVPUBEMCX-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1cccs1 ZINC001481314155 1099236817 /nfs/dbraw/zinc/23/68/17/1099236817.db2.gz FOYMIMUNHXDIBJ-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO C/C(=C\C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785266179 1099238739 /nfs/dbraw/zinc/23/87/39/1099238739.db2.gz KMQUUVSKTFRXGA-YEQVNJDRSA-N 1 0 331.416 2.846 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC001620524138 1099358267 /nfs/dbraw/zinc/35/82/67/1099358267.db2.gz LUALHQVVLRTRBT-KSZLIROESA-N 1 0 334.416 2.989 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001620568392 1099359999 /nfs/dbraw/zinc/35/99/99/1099359999.db2.gz IHZZNYWTSVOQCI-SNVBAGLBSA-N 1 0 334.763 2.933 10 5 EFBERO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccc2c(c1)OCO2 ZINC001620586653 1099362756 /nfs/dbraw/zinc/36/27/56/1099362756.db2.gz AJZPYKRFWOXDKH-UHFFFAOYSA-N 1 0 344.367 2.877 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001622155525 1099483453 /nfs/dbraw/zinc/48/34/53/1099483453.db2.gz KMURLYQJSYGJSR-UHFFFAOYSA-N 1 0 349.362 2.839 10 5 EFBERO O=C(CC1CC1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001268030423 1099665793 /nfs/dbraw/zinc/66/57/93/1099665793.db2.gz FKLKFLMSQBKVPL-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001624762358 1099728173 /nfs/dbraw/zinc/72/81/73/1099728173.db2.gz ZUFVBTRBURLDOP-ZDUSSCGKSA-N 1 0 330.388 2.679 10 5 EFBERO CC1(CNC(=O)C2CC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001270854592 1099729849 /nfs/dbraw/zinc/72/98/49/1099729849.db2.gz SMCBWMZOHRJGCF-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001625402143 1099806263 /nfs/dbraw/zinc/80/62/63/1099806263.db2.gz HBHDOHWLQGYSPT-SJKOYZFVSA-N 1 0 334.420 2.539 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001626394016 1099868732 /nfs/dbraw/zinc/86/87/32/1099868732.db2.gz BRMXFLNTSXHRGY-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001626725192 1099910003 /nfs/dbraw/zinc/91/00/03/1099910003.db2.gz HWEJYUFYMOLOIW-OAHLLOKOSA-N 1 0 337.395 2.766 10 5 EFBERO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001627313213 1099981774 /nfs/dbraw/zinc/98/17/74/1099981774.db2.gz XVPUQXLIMASCNN-UHFFFAOYSA-N 1 0 339.823 2.591 10 5 EFBERO C[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CCCC1 ZINC001627526019 1100006270 /nfs/dbraw/zinc/00/62/70/1100006270.db2.gz PWDXRGKRRBDLDN-UHFFFAOYSA-N 1 0 343.786 2.992 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC001628574337 1100114184 /nfs/dbraw/zinc/11/41/84/1100114184.db2.gz BWCJOOKKNMIKER-UHFFFAOYSA-N 1 0 348.447 2.952 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001629345224 1100201629 /nfs/dbraw/zinc/20/16/29/1100201629.db2.gz REBZXDKUAASPCO-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629756044 1100244427 /nfs/dbraw/zinc/24/44/27/1100244427.db2.gz GPTOONZHSTWOPM-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001630769987 1100337003 /nfs/dbraw/zinc/33/70/03/1100337003.db2.gz AEFDHGBAFCQZHW-UONOGXRCSA-N 1 0 333.432 2.979 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001631057444 1100365878 /nfs/dbraw/zinc/36/58/78/1100365878.db2.gz NPHHVNMRIAFYMZ-UONOGXRCSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1 ZINC001631683326 1100419621 /nfs/dbraw/zinc/41/96/21/1100419621.db2.gz ZCONGRZKNTWMMW-KKUMJFAQSA-N 1 0 346.431 2.776 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001632478526 1100477151 /nfs/dbraw/zinc/47/71/51/1100477151.db2.gz ZJXHZJYZCISOBK-GFCCVEGCSA-N 1 0 330.388 2.679 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001633924091 1100574453 /nfs/dbraw/zinc/57/44/53/1100574453.db2.gz QOISBCMYHXNOKB-GFCCVEGCSA-N 1 0 337.420 2.700 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001635295066 1100653158 /nfs/dbraw/zinc/65/31/58/1100653158.db2.gz PJTVGUZYKFKEBL-HNNXBMFYSA-N 1 0 346.431 2.704 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(C)C ZINC001638770174 1100885424 /nfs/dbraw/zinc/88/54/24/1100885424.db2.gz QNMDBVNLBBBBTQ-HOTGVXAUSA-N 1 0 346.431 2.628 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(C)C ZINC001638770173 1100885975 /nfs/dbraw/zinc/88/59/75/1100885975.db2.gz QNMDBVNLBBBBTQ-CVEARBPZSA-N 1 0 346.431 2.628 10 5 EFBERO CCCC[N@H+](C)CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001639453019 1100952126 /nfs/dbraw/zinc/95/21/26/1100952126.db2.gz AILVCIBJCCYFJS-CLFYSBASSA-N 1 0 335.404 2.925 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001639798458 1100984494 /nfs/dbraw/zinc/98/44/94/1100984494.db2.gz WUDBKEXNDSUCGN-JKSUJKDBSA-N 1 0 348.447 2.632 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(CNc3cc[nH+]cc3C(F)(F)F)nc2c1 ZINC001639848965 1100988435 /nfs/dbraw/zinc/98/84/35/1100988435.db2.gz VAELIZGPLQCAEC-UHFFFAOYSA-N 1 0 337.261 2.919 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)c2c1 ZINC001639883655 1100992387 /nfs/dbraw/zinc/99/23/87/1100992387.db2.gz ULZDRNZMZAOTBN-GFCCVEGCSA-N 1 0 332.404 2.714 10 5 EFBERO CCOC(=O)c1ccnc(NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001639940792 1100997209 /nfs/dbraw/zinc/99/72/09/1100997209.db2.gz HTHNARYETXCXLN-UHFFFAOYSA-N 1 0 338.408 2.699 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)c2c1 ZINC001640110696 1101015431 /nfs/dbraw/zinc/01/54/31/1101015431.db2.gz ZEYMSITVYSIXDR-OLZOCXBDSA-N 1 0 342.399 2.540 10 5 EFBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001640437809 1101046802 /nfs/dbraw/zinc/04/68/02/1101046802.db2.gz ADXYMMIEUZSXQZ-ZDUSSCGKSA-N 1 0 328.328 2.654 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001640525554 1101056139 /nfs/dbraw/zinc/05/61/39/1101056139.db2.gz PENAWPIHGLMICB-AWEZNQCLSA-N 1 0 347.415 2.834 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001641399845 1101133051 /nfs/dbraw/zinc/13/30/51/1101133051.db2.gz OHZJDNRQAORPIE-AWEZNQCLSA-N 1 0 349.406 2.894 10 5 EFBERO CO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001641506073 1101141998 /nfs/dbraw/zinc/14/19/98/1101141998.db2.gz OAKAJCDQYIMTJM-GOSISDBHSA-N 1 0 333.432 2.922 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001642153976 1101192952 /nfs/dbraw/zinc/19/29/52/1101192952.db2.gz FXMONKCTYPACLQ-CYBMUJFWSA-N 1 0 344.415 2.717 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC001642340114 1101207759 /nfs/dbraw/zinc/20/77/59/1101207759.db2.gz UARGWJYYOXKCJQ-CHWSQXEVSA-N 1 0 344.415 2.858 10 5 EFBERO NC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001643071685 1101268766 /nfs/dbraw/zinc/26/87/66/1101268766.db2.gz RTGFOTFRNCSFIB-HNNXBMFYSA-N 1 0 346.431 2.903 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC001651378750 1101319897 /nfs/dbraw/zinc/31/98/97/1101319897.db2.gz WSHJARMWVCCUFW-CYBMUJFWSA-N 1 0 348.403 2.913 10 5 EFBERO CCc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651435126 1101328976 /nfs/dbraw/zinc/32/89/76/1101328976.db2.gz QOSUSOQUUWNPNP-WBMJQRKESA-N 1 0 341.415 2.541 10 5 EFBERO CC1(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC001266604429 1101382463 /nfs/dbraw/zinc/38/24/63/1101382463.db2.gz DVBXYQIOEHSOAY-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266612369 1101458859 /nfs/dbraw/zinc/45/88/59/1101458859.db2.gz PTBOWLADJULDHK-NNLSDYADSA-N 1 0 335.429 2.916 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC001670667297 1101462506 /nfs/dbraw/zinc/46/25/06/1101462506.db2.gz FLDAEFNZORWGLY-XLNGHYISSA-N 1 0 346.431 2.685 10 5 EFBERO CCOCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001652290753 1101469083 /nfs/dbraw/zinc/46/90/83/1101469083.db2.gz JNEPDTBOATXWPP-UHFFFAOYSA-N 1 0 338.404 2.621 10 5 EFBERO CC[NH+](CC)CC[C@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001652337435 1101478416 /nfs/dbraw/zinc/47/84/16/1101478416.db2.gz WZSXITHFTKWYID-ZDUSSCGKSA-N 1 0 337.420 2.843 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001652342050 1101480471 /nfs/dbraw/zinc/48/04/71/1101480471.db2.gz GCQJGOANZFDRIQ-MRXNPFEDSA-N 1 0 341.411 2.933 10 5 EFBERO COC(=O)[C@@H](C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001652424223 1101488237 /nfs/dbraw/zinc/48/82/37/1101488237.db2.gz SFZLCZQVVHTQIB-ZDUSSCGKSA-N 1 0 336.388 2.637 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001652603496 1101519708 /nfs/dbraw/zinc/51/97/08/1101519708.db2.gz MPNKDLKZMWTGIR-ZDUSSCGKSA-N 1 0 341.358 2.533 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000068222823 1101603644 /nfs/dbraw/zinc/60/36/44/1101603644.db2.gz IGNYVKAZFHXBQK-HNNXBMFYSA-N 1 0 348.447 2.875 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001653351869 1101613018 /nfs/dbraw/zinc/61/30/18/1101613018.db2.gz YPEOBTURICKGNT-UHFFFAOYSA-N 1 0 325.384 2.702 10 5 EFBERO COc1ccc(OCC[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001653640683 1101638119 /nfs/dbraw/zinc/63/81/19/1101638119.db2.gz BEFBABFVZGTPKR-DOTOQJQBSA-N 1 0 338.404 2.775 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@H]1CCC[N@@H+]1C ZINC001653950231 1101664111 /nfs/dbraw/zinc/66/41/11/1101664111.db2.gz RCMVDTQRKABVKL-CYBMUJFWSA-N 1 0 342.237 2.883 10 5 EFBERO COc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001654099240 1101684693 /nfs/dbraw/zinc/68/46/93/1101684693.db2.gz NASKTLFPTVKHCZ-AWEZNQCLSA-N 1 0 335.404 2.517 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001654749719 1101752387 /nfs/dbraw/zinc/75/23/87/1101752387.db2.gz GHPUHSGDFXSIOC-JTQLQIEISA-N 1 0 334.763 2.933 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC001655376752 1101818993 /nfs/dbraw/zinc/81/89/93/1101818993.db2.gz NEHKZUQKSFDUIL-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO Cn1c(=O)c([N+](=O)[O-])c(NCc2ccc3c[nH+]cn3c2)c2ccccc21 ZINC001655550952 1101843378 /nfs/dbraw/zinc/84/33/78/1101843378.db2.gz QGXDKNKTPMGBOY-UHFFFAOYSA-N 1 0 349.350 2.707 10 5 EFBERO C[C@H](COCC1CCCCC1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001655654456 1101864019 /nfs/dbraw/zinc/86/40/19/1101864019.db2.gz FPNOOKDGKBVZHW-CYBMUJFWSA-N 1 0 349.431 2.769 10 5 EFBERO CN(CCCC[NH+](C)C)c1ncc(Br)cc1[N+](=O)[O-] ZINC001655815269 1101896519 /nfs/dbraw/zinc/89/65/19/1101896519.db2.gz ZELGITDYHNGGFQ-UHFFFAOYSA-N 1 0 331.214 2.530 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=CC12CCCCC2 ZINC001655916158 1101910680 /nfs/dbraw/zinc/91/06/80/1101910680.db2.gz SSIQXWQLFQISLM-HNNXBMFYSA-N 1 0 332.400 2.909 10 5 EFBERO CCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266708769 1101971205 /nfs/dbraw/zinc/97/12/05/1101971205.db2.gz XOCQYLOKFMAOAP-TXEJJXNPSA-N 1 0 325.434 2.829 10 5 EFBERO C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656392383 1102046375 /nfs/dbraw/zinc/04/63/75/1102046375.db2.gz VPIHHKAFDBPNOL-HNNXBMFYSA-N 1 0 338.404 2.682 10 5 EFBERO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C ZINC001657825768 1102412871 /nfs/dbraw/zinc/41/28/71/1102412871.db2.gz NOQLDKXAUCYZEW-NSHDSACASA-N 1 0 342.237 2.883 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000588444872 1102539023 /nfs/dbraw/zinc/53/90/23/1102539023.db2.gz QHRFEBJIZOTTTI-CCEZHUSRSA-N 1 0 331.416 2.990 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC001659865293 1102574666 /nfs/dbraw/zinc/57/46/66/1102574666.db2.gz FDALODKYUPAKDW-UHFFFAOYSA-N 1 0 341.411 2.661 10 5 EFBERO Cc1cccnc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660094082 1102595982 /nfs/dbraw/zinc/59/59/82/1102595982.db2.gz AYXKWFJSZGBCGS-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001660099518 1102597377 /nfs/dbraw/zinc/59/73/77/1102597377.db2.gz YWKGRUDJRNCZJF-NSHDSACASA-N 1 0 349.337 2.840 10 5 EFBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)cc(C)cc1C ZINC001266560163 1102748710 /nfs/dbraw/zinc/74/87/10/1102748710.db2.gz BXCNFRKBUHSGDQ-SJLPKXTDSA-N 1 0 347.459 2.605 10 5 EFBERO CCC[N@H+](CCNC(=O)c1[nH]ccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266560569 1102752204 /nfs/dbraw/zinc/75/22/04/1102752204.db2.gz RRQGVLCYTACCFP-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001660662845 1102916583 /nfs/dbraw/zinc/91/65/83/1102916583.db2.gz PSCONOZGPIBUJL-HNNXBMFYSA-N 1 0 347.415 2.781 10 5 EFBERO CSc1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1[N+](=O)[O-] ZINC000905314537 1103042743 /nfs/dbraw/zinc/04/27/43/1103042743.db2.gz FAEPIBTWSRUGJR-UHFFFAOYSA-N 1 0 334.401 2.909 10 5 EFBERO O=C(/C=C/c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661560987 1103321361 /nfs/dbraw/zinc/32/13/61/1103321361.db2.gz AVIZVYJZIHDLGK-LAELXIFRSA-N 1 0 341.367 2.638 10 5 EFBERO Cc1nscc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483461296 1103759076 /nfs/dbraw/zinc/75/90/76/1103759076.db2.gz KYGGSLHSWJLEKJ-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCCCC1 ZINC000906170927 1103976920 /nfs/dbraw/zinc/97/69/20/1103976920.db2.gz OHNYJJUTYSFCKT-UHFFFAOYSA-N 1 0 339.823 2.783 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000906498715 1104244382 /nfs/dbraw/zinc/24/43/82/1104244382.db2.gz CRHRIOBGRUQKHS-HNNXBMFYSA-N 1 0 342.399 2.693 10 5 EFBERO CN(CC[NH+]1CCCC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906559295 1104282736 /nfs/dbraw/zinc/28/27/36/1104282736.db2.gz XSPQYDNDNCHTFT-UHFFFAOYSA-N 1 0 339.823 2.735 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CCC1 ZINC001664138263 1104297070 /nfs/dbraw/zinc/29/70/70/1104297070.db2.gz JHKWGLFHDIZELZ-UHFFFAOYSA-N 1 0 347.387 2.640 10 5 EFBERO Cc1ccc(F)c(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001664208620 1104317015 /nfs/dbraw/zinc/31/70/15/1104317015.db2.gz QOOSUZFYDWUYAI-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)s1 ZINC001664408461 1104382247 /nfs/dbraw/zinc/38/22/47/1104382247.db2.gz WSTVBBAEWMKBGH-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000729681422 1104771422 /nfs/dbraw/zinc/77/14/22/1104771422.db2.gz BGVJCMFIDAAVDB-LBPRGKRZSA-N 1 0 331.372 2.657 10 5 EFBERO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000081290568 1104781803 /nfs/dbraw/zinc/78/18/03/1104781803.db2.gz RCLRXRTXTSCFKG-AWEZNQCLSA-N 1 0 335.379 2.728 10 5 EFBERO CC(C)(C)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001666333083 1104927249 /nfs/dbraw/zinc/92/72/49/1104927249.db2.gz DWJMGXATZHVGSL-IAGOWNOFSA-N 1 0 347.459 2.884 10 5 EFBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001668691767 1105350730 /nfs/dbraw/zinc/35/07/30/1105350730.db2.gz RRFYHSLOTZELLR-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO Cc1ccoc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001670017934 1105569893 /nfs/dbraw/zinc/56/98/93/1105569893.db2.gz PQXCQXCGJJOECF-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001672348626 1105808892 /nfs/dbraw/zinc/80/88/92/1105808892.db2.gz UTHMKABOWXVNBZ-PEFKZTBOSA-N 1 0 349.475 2.757 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001673462075 1106028541 /nfs/dbraw/zinc/02/85/41/1106028541.db2.gz APJUAIIVODADNI-FVQHAEBGSA-N 1 0 345.443 2.921 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000897787888 1106096515 /nfs/dbraw/zinc/09/65/15/1106096515.db2.gz WQVSYIGIUUGVEB-MRXNPFEDSA-N 1 0 344.415 2.608 10 5 EFBERO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001674832393 1106263990 /nfs/dbraw/zinc/26/39/90/1106263990.db2.gz RNSXGCPIMGBHER-IAGOWNOFSA-N 1 0 347.459 2.543 10 5 EFBERO O=C(CC1CC1)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001677525835 1106727019 /nfs/dbraw/zinc/72/70/19/1106727019.db2.gz KASKGXALUIWQLI-UHFFFAOYSA-N 1 0 329.400 2.643 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000092670706 1106909500 /nfs/dbraw/zinc/90/95/00/1106909500.db2.gz AZDRROVBZVAPFB-NSHDSACASA-N 1 0 328.210 2.888 10 5 EFBERO O=[N+]([O-])c1ccc(CCc2nc([C@@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000904072993 1107580295 /nfs/dbraw/zinc/58/02/95/1107580295.db2.gz GFHCJVHJAMISAD-LLVKDONJSA-N 1 0 336.779 2.883 10 5 EFBERO CCO[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC)C[NH+](C)C ZINC000926962023 1108302582 /nfs/dbraw/zinc/30/25/82/1108302582.db2.gz QHZWGEICMNGIKM-OCCSQVGLSA-N 1 0 341.477 2.934 10 5 EFBERO CC1(C)CC(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001483731489 1108412076 /nfs/dbraw/zinc/41/20/76/1108412076.db2.gz YTIPMXZTJQICOE-UHFFFAOYSA-N 1 0 331.416 2.769 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001682818528 1108648144 /nfs/dbraw/zinc/64/81/44/1108648144.db2.gz DHFWADCFZVYBEL-CQSZACIVSA-N 1 0 336.436 2.823 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898823121 1109094832 /nfs/dbraw/zinc/09/48/32/1109094832.db2.gz KDAKQBJQHWAGKK-LSDHHAIUSA-N 1 0 331.416 2.814 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898833387 1109096829 /nfs/dbraw/zinc/09/68/29/1109096829.db2.gz SIOLBUMJCLJZJJ-KBPBESRZSA-N 1 0 349.456 2.919 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898844036 1109108780 /nfs/dbraw/zinc/10/87/80/1109108780.db2.gz BYOXRADRSCIUJW-CABCVRRESA-N 1 0 349.456 2.919 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000899561910 1109387375 /nfs/dbraw/zinc/38/73/75/1109387375.db2.gz KZWQWBTYDKOLCZ-UHFFFAOYSA-N 1 0 346.431 2.576 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000899563357 1109395453 /nfs/dbraw/zinc/39/54/53/1109395453.db2.gz AOEFWJKDFWAOAU-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO CNc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000914444826 1111150292 /nfs/dbraw/zinc/15/02/92/1111150292.db2.gz ZVJLTMRMMFKMOJ-ZFWWWQNUSA-N 1 0 348.447 2.971 10 5 EFBERO O=C(CC1CCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484628347 1113077577 /nfs/dbraw/zinc/07/75/77/1113077577.db2.gz GTCBNNFXQFDDLS-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554917 214133890 /nfs/dbraw/zinc/13/38/90/214133890.db2.gz VLNPWTSGLXXMQE-MRXNPFEDSA-N 1 0 327.384 2.556 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000054171454 214222191 /nfs/dbraw/zinc/22/21/91/214222191.db2.gz FRGYBUJAMLIXBL-CQSZACIVSA-N 1 0 331.416 2.990 10 5 EFBERO CCc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000174338534 529602081 /nfs/dbraw/zinc/60/20/81/529602081.db2.gz KROPYYQNEIEOEL-MQVJKMGUSA-N 1 0 331.416 2.902 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000067447139 215146831 /nfs/dbraw/zinc/14/68/31/215146831.db2.gz YCBJANBVJPSOBJ-AWEZNQCLSA-N 1 0 349.434 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]CC2CCOCC2)c(Br)c1 ZINC000104199756 219360092 /nfs/dbraw/zinc/36/00/92/219360092.db2.gz RNODKWKUXCGQGO-UHFFFAOYSA-N 1 0 329.194 2.874 10 5 EFBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037040268 213131375 /nfs/dbraw/zinc/13/13/75/213131375.db2.gz WSIKXSGUDVDUJC-HQJQHLMTSA-N 1 0 330.182 2.669 10 5 EFBERO O=C([C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564678 296014541 /nfs/dbraw/zinc/01/45/41/296014541.db2.gz DJUBUSYGYQFYKA-CTEOGUNLSA-N 1 0 343.427 2.942 10 5 EFBERO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000107525908 219785600 /nfs/dbraw/zinc/78/56/00/219785600.db2.gz ZKSZPKDVGMUDGS-HNNXBMFYSA-N 1 0 331.416 2.994 10 5 EFBERO Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000129842273 223097616 /nfs/dbraw/zinc/09/76/16/223097616.db2.gz JDJHJNBOBJCLSJ-DOTOQJQBSA-N 1 0 328.416 2.872 10 5 EFBERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177574033 239384060 /nfs/dbraw/zinc/38/40/60/239384060.db2.gz RJZMERXJQNDNDF-GJZGRUSLSA-N 1 0 329.400 2.606 10 5 EFBERO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000229697197 242192498 /nfs/dbraw/zinc/19/24/98/242192498.db2.gz AYFLDVMVFUWDAK-GOEBONIOSA-N 1 0 336.436 2.847 10 5 EFBERO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC(C)(C)C1 ZINC000412032888 243081673 /nfs/dbraw/zinc/08/16/73/243081673.db2.gz HPHSKTCQDUNQSN-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412136981 243162429 /nfs/dbraw/zinc/16/24/29/243162429.db2.gz VQZZLWYIUKZOAZ-ISWURRPUSA-N 1 0 331.416 2.639 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414654880 244276489 /nfs/dbraw/zinc/27/64/89/244276489.db2.gz JWRJXZOZLHTIAT-UHFFFAOYSA-N 1 0 348.403 2.601 10 5 EFBERO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000414661820 244280714 /nfs/dbraw/zinc/28/07/14/244280714.db2.gz QGNLBPBFXRIUAN-UHFFFAOYSA-N 1 0 344.415 2.870 10 5 EFBERO COc1cc(CNCC2([NH3+])CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000414857787 244375163 /nfs/dbraw/zinc/37/51/63/244375163.db2.gz GBUKHLVMJXHTPZ-UHFFFAOYSA-N 1 0 337.420 2.753 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCNCc1cccnc1 ZINC000414886273 244390815 /nfs/dbraw/zinc/39/08/15/244390815.db2.gz WCHHMKJBFRDMJC-XBXARRHUSA-N 1 0 326.400 2.773 10 5 EFBERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000417951587 245104559 /nfs/dbraw/zinc/10/45/59/245104559.db2.gz XITBUXDXJQBHLA-CYBMUJFWSA-N 1 0 342.399 2.656 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418336197 245125788 /nfs/dbraw/zinc/12/57/88/245125788.db2.gz IBHHTMJMWGOQAF-CQSZACIVSA-N 1 0 334.420 2.514 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111318354 220138189 /nfs/dbraw/zinc/13/81/89/220138189.db2.gz ZIWSGGBXLYDKLE-FMVWZJFZSA-N 1 0 344.371 2.694 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000081364206 217388249 /nfs/dbraw/zinc/38/82/49/217388249.db2.gz ZQJXNLNBJZCHCO-CYBMUJFWSA-N 1 0 344.415 2.880 10 5 EFBERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000421394609 245961697 /nfs/dbraw/zinc/96/16/97/245961697.db2.gz XTGFMIAAZQTWRZ-DUVNUKRYSA-N 1 0 335.404 2.859 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421711124 246076059 /nfs/dbraw/zinc/07/60/59/246076059.db2.gz NSRBGKOBIHWEEP-GFCCVEGCSA-N 1 0 325.796 2.723 10 5 EFBERO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000422194309 246294244 /nfs/dbraw/zinc/29/42/44/246294244.db2.gz YQHMWZWZROQSBT-HZPDHXFCSA-N 1 0 334.420 2.782 10 5 EFBERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]2C1 ZINC000425332200 247046323 /nfs/dbraw/zinc/04/63/23/247046323.db2.gz CNXMEAGFTSYPML-CFKGFHPTSA-N 1 0 330.388 2.764 10 5 EFBERO Cc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000425376644 247065664 /nfs/dbraw/zinc/06/56/64/247065664.db2.gz YGTXKDORQQWATN-GOSISDBHSA-N 1 0 348.443 2.951 10 5 EFBERO COc1ccc(NC(=O)CC[N@H+]2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430290892 247763229 /nfs/dbraw/zinc/76/32/29/247763229.db2.gz SLYBCWZOXAMVBB-GFCCVEGCSA-N 1 0 333.388 2.830 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433303038 248041548 /nfs/dbraw/zinc/04/15/48/248041548.db2.gz ZMEHQOZKCSQXDC-AWEZNQCLSA-N 1 0 347.802 2.899 10 5 EFBERO CCOC(=O)CC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000434607818 248169041 /nfs/dbraw/zinc/16/90/41/248169041.db2.gz NFTCEAGTOZVYQC-UHFFFAOYSA-N 1 0 336.388 2.829 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[C@H]3O)cs2)c1 ZINC000266136191 248122819 /nfs/dbraw/zinc/12/28/19/248122819.db2.gz FTSXEHJQXKVNPT-SWLSCSKDSA-N 1 0 333.413 2.969 10 5 EFBERO CC[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560572 217939805 /nfs/dbraw/zinc/93/98/05/217939805.db2.gz ZBPRTJDHTDCPIU-LRDDRELGSA-N 1 0 334.420 2.828 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441214037 250008753 /nfs/dbraw/zinc/00/87/53/250008753.db2.gz WXDVBUXYAMLUCP-LSDHHAIUSA-N 1 0 347.415 2.590 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441282470 250015426 /nfs/dbraw/zinc/01/54/26/250015426.db2.gz VNDRZDDZZAGSQX-KFWWJZLASA-N 1 0 347.415 2.670 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670769 218157202 /nfs/dbraw/zinc/15/72/02/218157202.db2.gz ILLVOJXXUQLLEL-LLVKDONJSA-N 1 0 343.225 2.673 10 5 EFBERO Cc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147171 218198141 /nfs/dbraw/zinc/19/81/41/218198141.db2.gz LLXIDVWDZOVVTE-GOSISDBHSA-N 1 0 346.475 2.505 10 5 EFBERO Cc1ccc(N2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nn1 ZINC000093271728 218209425 /nfs/dbraw/zinc/20/94/25/218209425.db2.gz GPRGTOJOLPZAAY-UHFFFAOYSA-N 1 0 341.415 2.714 10 5 EFBERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644319 218239369 /nfs/dbraw/zinc/23/93/69/218239369.db2.gz CAZDXQAKJXRZKC-OCCSQVGLSA-N 1 0 337.420 2.527 10 5 EFBERO CN(CC[NH+]1CCCC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445189379 250393972 /nfs/dbraw/zinc/39/39/72/250393972.db2.gz JWXIYEYBMPSJGK-UHFFFAOYSA-N 1 0 349.434 2.849 10 5 EFBERO O=C(NCC1CC[NH+](C2CC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000446467084 250499374 /nfs/dbraw/zinc/49/93/74/250499374.db2.gz QZDVMVKGQXHITK-UHFFFAOYSA-N 1 0 342.399 2.680 10 5 EFBERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449383304 251004056 /nfs/dbraw/zinc/00/40/56/251004056.db2.gz GKNXCQNYJXHNBS-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449382612 251004740 /nfs/dbraw/zinc/00/47/40/251004740.db2.gz CWYXCFYFKWILFT-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO O=[N+]([O-])c1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000449418552 251019324 /nfs/dbraw/zinc/01/93/24/251019324.db2.gz DHGISENWFIERJP-QZTJIDSGSA-N 1 0 330.359 2.895 10 5 EFBERO CC[C@@H](NC(=O)N1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000267469327 251085851 /nfs/dbraw/zinc/08/58/51/251085851.db2.gz XFMKXFYIEZIABX-MRXNPFEDSA-N 1 0 334.420 2.782 10 5 EFBERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC000450375488 251365283 /nfs/dbraw/zinc/36/52/83/251365283.db2.gz DUVOEAXQDIRCHV-UHFFFAOYSA-N 1 0 336.342 2.836 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451344129 251534488 /nfs/dbraw/zinc/53/44/88/251534488.db2.gz PETXMVBOGHUZNN-ZMSDIMECSA-N 1 0 334.416 2.989 10 5 EFBERO C[NH+](C)CCC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112924638 220425357 /nfs/dbraw/zinc/42/53/57/220425357.db2.gz XEZAAQKYKSGDDZ-UHFFFAOYSA-N 1 0 344.415 2.880 10 5 EFBERO COc1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000132177824 533670781 /nfs/dbraw/zinc/67/07/81/533670781.db2.gz FFJRJUSCRYNNLT-SFHVURJKSA-N 1 0 328.368 2.527 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000163080177 141372990 /nfs/dbraw/zinc/37/29/90/141372990.db2.gz GLDUSVSRJDEYFD-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000195390743 141380504 /nfs/dbraw/zinc/38/05/04/141380504.db2.gz RDIVJCJEHPHJCA-UHFFFAOYSA-N 1 0 349.431 2.602 10 5 EFBERO CN(c1ccc([N+](=O)[O-])nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000344430400 142015489 /nfs/dbraw/zinc/01/54/89/142015489.db2.gz KAPLROWRVYEPQW-UHFFFAOYSA-N 1 0 341.415 2.528 10 5 EFBERO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cn2)C[C@@H](C)O1 ZINC000344440996 142017206 /nfs/dbraw/zinc/01/72/06/142017206.db2.gz PKSYFLYSNZKEFS-VXGBXAGGSA-N 1 0 329.360 2.742 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000344443277 142017474 /nfs/dbraw/zinc/01/74/74/142017474.db2.gz TZEVXPDGEBFAJI-MRXNPFEDSA-N 1 0 326.400 2.966 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344639785 142053552 /nfs/dbraw/zinc/05/35/52/142053552.db2.gz HDBLHSZIEVJQIN-MRXNPFEDSA-N 1 0 349.431 2.844 10 5 EFBERO CC(C)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000347618298 142245603 /nfs/dbraw/zinc/24/56/03/142245603.db2.gz VBPZUULXPGMBDL-ZIAGYGMSSA-N 1 0 338.433 2.591 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347955882 142299792 /nfs/dbraw/zinc/29/97/92/142299792.db2.gz UATABNYMFFIALU-WBMJQRKESA-N 1 0 349.456 2.628 10 5 EFBERO COc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000341257714 145021868 /nfs/dbraw/zinc/02/18/68/145021868.db2.gz AFYAFYKJYYXKQP-UHFFFAOYSA-N 1 0 339.298 2.890 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278169 145024887 /nfs/dbraw/zinc/02/48/87/145024887.db2.gz UTRZGINPKBDZBD-RHSMWYFYSA-N 1 0 338.448 2.966 10 5 EFBERO Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342122158 145065722 /nfs/dbraw/zinc/06/57/22/145065722.db2.gz NJJGUDXYJQICHI-QGZVFWFLSA-N 1 0 341.411 2.806 10 5 EFBERO Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342166532 145073871 /nfs/dbraw/zinc/07/38/71/145073871.db2.gz ZEARABZGGLNIJV-QGZVFWFLSA-N 1 0 341.411 2.806 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000342274941 145091848 /nfs/dbraw/zinc/09/18/48/145091848.db2.gz IFFFVHDXSZNRJT-QHIITQONSA-N 1 0 327.384 2.759 10 5 EFBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000342428333 145124103 /nfs/dbraw/zinc/12/41/03/145124103.db2.gz GMHKCRRHSWMFGJ-SZMVWBNQSA-N 1 0 331.416 2.640 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3cccc(F)c3F)C2)nc1 ZINC000342750069 145185042 /nfs/dbraw/zinc/18/50/42/145185042.db2.gz LJTQCYCFCXLGNP-ZDUSSCGKSA-N 1 0 348.353 2.997 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000342936590 145225237 /nfs/dbraw/zinc/22/52/37/145225237.db2.gz XTFWKUAYHYQFAE-WFASDCNBSA-N 1 0 344.415 2.878 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000343558894 145237579 /nfs/dbraw/zinc/23/75/79/145237579.db2.gz CULRCOOBUVLWHM-CQSZACIVSA-N 1 0 335.404 2.598 10 5 EFBERO CCOc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000343775506 145291854 /nfs/dbraw/zinc/29/18/54/145291854.db2.gz GGEVKMXZBABAAO-UHFFFAOYSA-N 1 0 335.404 2.551 10 5 EFBERO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423521 145945261 /nfs/dbraw/zinc/94/52/61/145945261.db2.gz VGKMVTWUZFECCE-LSDHHAIUSA-N 1 0 340.445 2.783 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)C1CC1 ZINC000348640488 145982362 /nfs/dbraw/zinc/98/23/62/145982362.db2.gz IPRPAMSCPYSFPJ-QZTJIDSGSA-N 1 0 341.411 2.677 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000348856440 146014125 /nfs/dbraw/zinc/01/41/25/146014125.db2.gz OQABMHHVSFJCCV-SNVBAGLBSA-N 1 0 345.346 2.656 10 5 EFBERO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCC[N@H+](C)C1 ZINC000349128893 146057258 /nfs/dbraw/zinc/05/72/58/146057258.db2.gz LKJYZCCMIKDBSR-SNVBAGLBSA-N 1 0 345.321 2.780 10 5 EFBERO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351526069 146138102 /nfs/dbraw/zinc/13/81/02/146138102.db2.gz VUTMJVXLGGHABE-LSDHHAIUSA-N 1 0 346.435 2.917 10 5 EFBERO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351526068 146138246 /nfs/dbraw/zinc/13/82/46/146138246.db2.gz VUTMJVXLGGHABE-HUUCEWRRSA-N 1 0 346.435 2.917 10 5 EFBERO O=[N+]([O-])c1cnccc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000351821925 146210954 /nfs/dbraw/zinc/21/09/54/146210954.db2.gz LBJIRHGODITETF-UHFFFAOYSA-N 1 0 336.461 2.575 10 5 EFBERO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351978674 146253435 /nfs/dbraw/zinc/25/34/35/146253435.db2.gz XWFDJKPXJOQFHY-UHFFFAOYSA-N 1 0 336.388 2.769 10 5 EFBERO Cc1cc(C)n2c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cnc2n1 ZINC000359804164 148194177 /nfs/dbraw/zinc/19/41/77/148194177.db2.gz SVBMMQHQLSVJJM-UHFFFAOYSA-N 1 0 325.372 2.853 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000360344692 148336241 /nfs/dbraw/zinc/33/62/41/148336241.db2.gz OJAXJCNOEGBGOP-MRXNPFEDSA-N 1 0 327.384 2.933 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000368102144 150036324 /nfs/dbraw/zinc/03/63/24/150036324.db2.gz MOTOWCXAODOPED-HOCLYGCPSA-N 1 0 326.400 2.786 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102911 150038832 /nfs/dbraw/zinc/03/88/32/150038832.db2.gz QRDHMUAJKIXCGT-WCQYABFASA-N 1 0 330.388 2.925 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368151210 150051273 /nfs/dbraw/zinc/05/12/73/150051273.db2.gz ZHHFHCKZOPOUJL-QAPCUYQASA-N 1 0 327.384 2.588 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000368429424 150115849 /nfs/dbraw/zinc/11/58/49/150115849.db2.gz NZHYMUYOBKHJRY-AYRXBEOTSA-N 1 0 347.415 2.653 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000369377977 150339584 /nfs/dbraw/zinc/33/95/84/150339584.db2.gz OUYWBAKGJGYOGG-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO Cc1c(CC(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000370195805 150541091 /nfs/dbraw/zinc/54/10/91/150541091.db2.gz XILQXYQXYFVBAT-UHFFFAOYSA-N 1 0 331.416 2.579 10 5 EFBERO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000122999305 222197768 /nfs/dbraw/zinc/19/77/68/222197768.db2.gz VXURRWMPYBXZJT-LLVKDONJSA-N 1 0 329.194 2.968 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123114982 222218444 /nfs/dbraw/zinc/21/84/44/222218444.db2.gz GHLJXRPZVJUPOA-DGCLKSJQSA-N 1 0 337.445 2.871 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123152309 222224651 /nfs/dbraw/zinc/22/46/51/222224651.db2.gz BUXVFZHZXSBZBH-NEPJUHHUSA-N 1 0 336.392 2.550 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123152506 222225229 /nfs/dbraw/zinc/22/52/29/222225229.db2.gz BUXVFZHZXSBZBH-RYUDHWBXSA-N 1 0 336.392 2.550 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123746554 222326588 /nfs/dbraw/zinc/32/65/88/222326588.db2.gz IEOQQJKOBVAWKI-QWRGUYRKSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123490987 222285509 /nfs/dbraw/zinc/28/55/09/222285509.db2.gz CTXDEJQGMJVWLA-ZDUSSCGKSA-N 1 0 342.399 2.747 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CCO)CC3)cs2)c1 ZINC000189991024 265206361 /nfs/dbraw/zinc/20/63/61/265206361.db2.gz VZCHSZFNJNGAER-UHFFFAOYSA-N 1 0 333.413 2.971 10 5 EFBERO COCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193789387 265348249 /nfs/dbraw/zinc/34/82/49/265348249.db2.gz ZWQMJWOZNZMBEE-AWEZNQCLSA-N 1 0 349.431 2.521 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271818980 266069640 /nfs/dbraw/zinc/06/96/40/266069640.db2.gz ZPATZCUACBHTIM-ZBEGNZNMSA-N 1 0 331.328 2.887 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272466487 266274341 /nfs/dbraw/zinc/27/43/41/266274341.db2.gz FCZFFZVLBJUQJX-LBPRGKRZSA-N 1 0 341.358 2.677 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272515878 266291015 /nfs/dbraw/zinc/29/10/15/266291015.db2.gz XNOODYQSVTUNCX-LLVKDONJSA-N 1 0 346.330 2.516 10 5 EFBERO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000272761430 266374506 /nfs/dbraw/zinc/37/45/06/266374506.db2.gz ALTIWTNLPXRDEX-LBPRGKRZSA-N 1 0 336.392 2.599 10 5 EFBERO COC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000277042962 267104662 /nfs/dbraw/zinc/10/46/62/267104662.db2.gz PIDOHMQDOAQMBN-CZUORRHYSA-N 1 0 347.415 2.610 10 5 EFBERO C[C@@H](C[NH3+])Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000111302810 273014640 /nfs/dbraw/zinc/01/46/40/273014640.db2.gz FVJLTGKSJRCEJU-ZETCQYMHSA-N 1 0 325.166 2.665 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514580 267189394 /nfs/dbraw/zinc/18/93/94/267189394.db2.gz DXSDSDYZKWBKKP-GOEBONIOSA-N 1 0 343.431 2.956 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277765648 267257356 /nfs/dbraw/zinc/25/73/56/267257356.db2.gz XMQGQIJPNIZBIN-UHFFFAOYSA-N 1 0 347.806 2.797 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839755 267276539 /nfs/dbraw/zinc/27/65/39/267276539.db2.gz LXHIKNXEGUPPHP-OUJBWJOFSA-N 1 0 341.795 2.590 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269738836 273089799 /nfs/dbraw/zinc/08/97/99/273089799.db2.gz YDCSEDLIEWFXJL-GOEBONIOSA-N 1 0 348.447 2.509 10 5 EFBERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000271237042 273102691 /nfs/dbraw/zinc/10/26/91/273102691.db2.gz BFCJDHGEJDKKRP-NSHDSACASA-N 1 0 346.412 2.566 10 5 EFBERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000279925227 273270204 /nfs/dbraw/zinc/27/02/04/273270204.db2.gz XRRRQUKOGCCNNB-LBPRGKRZSA-N 1 0 325.796 2.596 10 5 EFBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000280836777 273372208 /nfs/dbraw/zinc/37/22/08/273372208.db2.gz XSZHNTORXVJFTL-OCCSQVGLSA-N 1 0 336.388 2.815 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000281231840 273413751 /nfs/dbraw/zinc/41/37/51/273413751.db2.gz CXUCGOSDZGKEFF-UHFFFAOYSA-N 1 0 349.431 2.520 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400917 273711102 /nfs/dbraw/zinc/71/11/02/273711102.db2.gz QHCIREKTZJUNKZ-LXZKKBNFSA-N 1 0 334.416 2.813 10 5 EFBERO COc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC000378188983 274091408 /nfs/dbraw/zinc/09/14/08/274091408.db2.gz HHBCYGQJVMDCQG-UHFFFAOYSA-N 1 0 341.367 2.655 10 5 EFBERO COC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000286309667 274174641 /nfs/dbraw/zinc/17/46/41/274174641.db2.gz KCRTURUOFJYDMU-DZGCQCFKSA-N 1 0 347.415 2.753 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286529884 274219320 /nfs/dbraw/zinc/21/93/20/274219320.db2.gz BVWGLUHJHVABIF-CQSZACIVSA-N 1 0 336.436 2.509 10 5 EFBERO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@]1(C)C[NH3+] ZINC000423991929 274330920 /nfs/dbraw/zinc/33/09/20/274330920.db2.gz NERVPKCUCQNNMA-QLJPJBMISA-N 1 0 333.413 2.866 10 5 EFBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000123979835 274362111 /nfs/dbraw/zinc/36/21/11/274362111.db2.gz JGFOBGYYBXNSJT-RNCFNFMXSA-N 1 0 328.210 2.744 10 5 EFBERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789552 274385113 /nfs/dbraw/zinc/38/51/13/274385113.db2.gz XIEGERBGVNEKTO-MCIONIFRSA-N 1 0 331.416 2.850 10 5 EFBERO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000287487397 274430922 /nfs/dbraw/zinc/43/09/22/274430922.db2.gz UAARDMLXWAVARU-UHFFFAOYSA-N 1 0 325.434 2.913 10 5 EFBERO Cc1c(Br)c(N[C@@H]2CCC[NH2+][C@H]2C)ncc1[N+](=O)[O-] ZINC000229608780 274658519 /nfs/dbraw/zinc/65/85/19/274658519.db2.gz GXWGACBPYPVAJU-DTWKUNHWSA-N 1 0 329.198 2.613 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288957 275868152 /nfs/dbraw/zinc/86/81/52/275868152.db2.gz NNTGGVGXPBBYMQ-FUHWJXTLSA-N 1 0 334.416 2.696 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000174134631 276148819 /nfs/dbraw/zinc/14/88/19/276148819.db2.gz OXDAEKLSZZZSIR-UHFFFAOYSA-N 1 0 348.447 2.513 10 5 EFBERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000421394613 276520511 /nfs/dbraw/zinc/52/05/11/276520511.db2.gz XTGFMIAAZQTWRZ-JGGQBBKZSA-N 1 0 335.404 2.859 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248043183 277169068 /nfs/dbraw/zinc/16/90/68/277169068.db2.gz MKHXACAEXBAECP-DLBZAZTESA-N 1 0 325.368 2.770 10 5 EFBERO Cc1n[n+]2c(ncc3c2/C(=C/c2cccc([N+](=O)[O-])c2)CC3)s1 ZINC000005712549 279052972 /nfs/dbraw/zinc/05/29/72/279052972.db2.gz ZCNWUHLQJOJZIL-KPKJPENVSA-N 1 0 325.373 2.980 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOCCO)c2ccccc2)c1 ZINC000180246504 280372998 /nfs/dbraw/zinc/37/29/98/280372998.db2.gz GYJCHAWXJFWFSO-GOSISDBHSA-N 1 0 330.384 2.673 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000359100358 280398379 /nfs/dbraw/zinc/39/83/79/280398379.db2.gz DJOCVWWWPGKAGL-UHFFFAOYSA-N 1 0 348.447 2.545 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCN2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271313 281317983 /nfs/dbraw/zinc/31/79/83/281317983.db2.gz TVNDAAMODYHXEC-MAUKXSAKSA-N 1 0 347.459 2.754 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000192766075 290226606 /nfs/dbraw/zinc/22/66/06/290226606.db2.gz GFHSFFFAEQDJFH-RDJZCZTQSA-N 1 0 340.383 2.551 10 5 EFBERO C[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000095408320 290242346 /nfs/dbraw/zinc/24/23/46/290242346.db2.gz SKKGQUCOPJQIFZ-CQSZACIVSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163949467 290590062 /nfs/dbraw/zinc/59/00/62/290590062.db2.gz JUFLPUKUJCGRGX-UWVGGRQHSA-N 1 0 328.210 2.778 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000153629712 293384593 /nfs/dbraw/zinc/38/45/93/293384593.db2.gz SWGPMQKTHTXRBH-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636653 294142140 /nfs/dbraw/zinc/14/21/40/294142140.db2.gz VNMJDJRPURCZPC-KXUCPTDWSA-N 1 0 329.784 2.588 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291369414 294361304 /nfs/dbraw/zinc/36/13/04/294361304.db2.gz AGTAFMQOXHSEQQ-SECBINFHSA-N 1 0 346.214 2.973 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294543521 295183706 /nfs/dbraw/zinc/18/37/06/295183706.db2.gz QKOFBLXMNKXGQL-AWEZNQCLSA-N 1 0 347.415 2.548 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@H](O)C2)s1 ZINC000294902639 295243425 /nfs/dbraw/zinc/24/34/25/295243425.db2.gz XJUBFXGZTWURHF-GFCCVEGCSA-N 1 0 334.397 2.516 10 5 EFBERO C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295358634 295306326 /nfs/dbraw/zinc/30/63/26/295306326.db2.gz NVMDFWNZVLNBDJ-SJCJKPOMSA-N 1 0 337.395 2.985 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295776228 295374296 /nfs/dbraw/zinc/37/42/96/295374296.db2.gz TUXYWLIPWQSMLP-KRWDZBQOSA-N 1 0 334.416 2.645 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000129059631 304808219 /nfs/dbraw/zinc/80/82/19/304808219.db2.gz GXVHKMZEPFESLN-HUUCEWRRSA-N 1 0 330.388 2.944 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299002387 311040981 /nfs/dbraw/zinc/04/09/81/311040981.db2.gz QFAFNFCTPSABJH-CYBMUJFWSA-N 1 0 333.413 2.559 10 5 EFBERO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000299723462 311114189 /nfs/dbraw/zinc/11/41/89/311114189.db2.gz SZCLDNXCEBLJBO-MRXNPFEDSA-N 1 0 343.383 2.901 10 5 EFBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301115396 311119855 /nfs/dbraw/zinc/11/98/55/311119855.db2.gz UIZMWIFQEFNBSS-UHFFFAOYSA-N 1 0 346.431 2.760 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000301477703 311139372 /nfs/dbraw/zinc/13/93/72/311139372.db2.gz PRFFHKAOEKAXGL-WHOFXGATSA-N 1 0 335.379 2.663 10 5 EFBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301475588 311139408 /nfs/dbraw/zinc/13/94/08/311139408.db2.gz NTZJRCADURKRRQ-NSHDSACASA-N 1 0 347.337 2.507 10 5 EFBERO COc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301624775 311148144 /nfs/dbraw/zinc/14/81/44/311148144.db2.gz PKSZKTAZLKHYDQ-VXGBXAGGSA-N 1 0 341.383 2.654 10 5 EFBERO COc1cc(N2CC[NH+](CCC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000301621301 311148254 /nfs/dbraw/zinc/14/82/54/311148254.db2.gz NBQOXUCYOBMUOO-UHFFFAOYSA-N 1 0 325.384 2.911 10 5 EFBERO Cc1cc(NCCCC[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302014736 311172181 /nfs/dbraw/zinc/17/21/81/311172181.db2.gz LIKOLWBBJOMGAC-UHFFFAOYSA-N 1 0 344.415 2.976 10 5 EFBERO COC[C@H](C)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302034719 311173679 /nfs/dbraw/zinc/17/36/79/311173679.db2.gz UDJIYMFETOGUOL-AWEZNQCLSA-N 1 0 344.415 2.608 10 5 EFBERO CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302214370 311185210 /nfs/dbraw/zinc/18/52/10/311185210.db2.gz ZNIKMTUPNUMROF-ZDUSSCGKSA-N 1 0 342.399 2.946 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330663211 311327513 /nfs/dbraw/zinc/32/75/13/311327513.db2.gz STOPUYSJJWXTGO-GHMZBOCLSA-N 1 0 325.434 2.815 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417818187 312274669 /nfs/dbraw/zinc/27/46/69/312274669.db2.gz AQNDBILGRQCIAR-BBRMVZONSA-N 1 0 342.399 2.963 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417846376 312280722 /nfs/dbraw/zinc/28/07/22/312280722.db2.gz JFBUCMAAQPYMRN-SLHHOWHOSA-N 1 0 346.431 2.889 10 5 EFBERO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000418472866 312359376 /nfs/dbraw/zinc/35/93/76/312359376.db2.gz XEOZNSVGXFAHQT-CYBMUJFWSA-N 1 0 342.399 2.956 10 5 EFBERO CC1(C)C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489719 312423786 /nfs/dbraw/zinc/42/37/86/312423786.db2.gz WXWFJFCULHRDMH-KGLIPLIRSA-N 1 0 325.359 2.904 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236822 312883074 /nfs/dbraw/zinc/88/30/74/312883074.db2.gz OHRDFLQXNMRVRF-GXTWGEPZSA-N 1 0 346.408 2.817 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CC2CCCCC2)cc1[N+](=O)[O-] ZINC000474343921 313208115 /nfs/dbraw/zinc/20/81/15/313208115.db2.gz FUJNDMHVUDDUJV-UHFFFAOYSA-N 1 0 336.388 2.817 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NC1CC([NH+]2CCCCC2)C1 ZINC000487735498 313423652 /nfs/dbraw/zinc/42/36/52/313423652.db2.gz YSWLVMBBBAWEJS-UHFFFAOYSA-N 1 0 326.400 2.994 10 5 EFBERO CSC1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000488028425 313451263 /nfs/dbraw/zinc/45/12/63/313451263.db2.gz UGQQUJFEBGGARO-UHFFFAOYSA-N 1 0 346.456 2.804 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494702684 314626267 /nfs/dbraw/zinc/62/62/67/314626267.db2.gz LEWUEDZZHSXKLI-BXUZGUMPSA-N 1 0 349.412 2.615 10 5 EFBERO C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000527270430 316360157 /nfs/dbraw/zinc/36/01/57/316360157.db2.gz DPBQIEAMHXGMKD-BZOOQXSSSA-N 1 0 331.416 2.831 10 5 EFBERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633742 317294102 /nfs/dbraw/zinc/29/41/02/317294102.db2.gz IXIAWFBNWXEAMG-QGZVFWFLSA-N 1 0 340.383 2.557 10 5 EFBERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532134460 317359657 /nfs/dbraw/zinc/35/96/57/317359657.db2.gz UXKFHRSBVYIZRQ-UHFFFAOYSA-N 1 0 340.383 2.516 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000539327847 317718221 /nfs/dbraw/zinc/71/82/21/317718221.db2.gz HTZSZNWMORODOY-HUUCEWRRSA-N 1 0 330.384 2.994 10 5 EFBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000548125646 318076359 /nfs/dbraw/zinc/07/63/59/318076359.db2.gz ARPREAONFNRUBZ-OAHLLOKOSA-N 1 0 348.447 2.730 10 5 EFBERO CS[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000548691764 318133178 /nfs/dbraw/zinc/13/31/78/318133178.db2.gz PMFUIMLTVVWWCL-KBPBESRZSA-N 1 0 336.461 2.623 10 5 EFBERO Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552037729 318239341 /nfs/dbraw/zinc/23/93/41/318239341.db2.gz HAJJLLFOEOQLQT-KRWDZBQOSA-N 1 0 337.383 2.911 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]C[C@@H]3C(F)F)o2)cc1 ZINC000565539810 318980695 /nfs/dbraw/zinc/98/06/95/318980695.db2.gz UKCJMYRBLDBQSO-CQSZACIVSA-N 1 0 337.326 2.894 10 5 EFBERO C[NH+](C)CC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000567666586 319193883 /nfs/dbraw/zinc/19/38/83/319193883.db2.gz IUVWPFLZOCRFAP-UHFFFAOYSA-N 1 0 349.431 2.602 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672201 319194569 /nfs/dbraw/zinc/19/45/69/319194569.db2.gz KTLPJYAAGFXSKS-QGZVFWFLSA-N 1 0 349.456 2.923 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000567697326 319199875 /nfs/dbraw/zinc/19/98/75/319199875.db2.gz UULOVGCZPSYFNS-HNNXBMFYSA-N 1 0 334.416 2.895 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3C3(O)CC3)n2)cc1 ZINC000568363821 319275679 /nfs/dbraw/zinc/27/56/79/319275679.db2.gz LAQFKPYLDWZYSR-CQSZACIVSA-N 1 0 344.371 2.524 10 5 EFBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cn3)cccc21 ZINC000569305705 319366748 /nfs/dbraw/zinc/36/67/48/319366748.db2.gz IMZYRGQFDYYKDX-OAHLLOKOSA-N 1 0 342.355 2.627 10 5 EFBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000570096748 319443842 /nfs/dbraw/zinc/44/38/42/319443842.db2.gz QBSQLNDWXGQMNW-GOSISDBHSA-N 1 0 339.395 2.612 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572869749 319712438 /nfs/dbraw/zinc/71/24/38/319712438.db2.gz NOUJCIFCPNEXHM-DYVFJYSZSA-N 1 0 349.456 2.678 10 5 EFBERO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574518808 319870129 /nfs/dbraw/zinc/87/01/29/319870129.db2.gz UEHOVPBJWOQZED-JGVFFNPUSA-N 1 0 345.197 2.605 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC1CCC1 ZINC000575174182 319931683 /nfs/dbraw/zinc/93/16/83/319931683.db2.gz AGPALMDPLZTKPM-CYBMUJFWSA-N 1 0 335.404 2.718 10 5 EFBERO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000577064227 320074590 /nfs/dbraw/zinc/07/45/90/320074590.db2.gz ZARBIVVPSWRZTL-MELADBBJSA-N 1 0 348.447 2.687 10 5 EFBERO CCOc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183148307 323319923 /nfs/dbraw/zinc/31/99/23/323319923.db2.gz ULVZCLHGEVCYTG-CQSZACIVSA-N 1 0 349.431 2.988 10 5 EFBERO NC(=O)c1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000579638660 324000470 /nfs/dbraw/zinc/00/04/70/324000470.db2.gz DZMDJKODNKLJAU-UHFFFAOYSA-N 1 0 338.367 2.507 10 5 EFBERO NC(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000580003533 324075565 /nfs/dbraw/zinc/07/55/65/324075565.db2.gz ZHZFZFYQFSYDGA-UHFFFAOYSA-N 1 0 338.367 2.507 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000580298405 324135582 /nfs/dbraw/zinc/13/55/82/324135582.db2.gz NTQORJHNQYURJD-UHFFFAOYSA-N 1 0 332.404 2.901 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000580312857 324139134 /nfs/dbraw/zinc/13/91/34/324139134.db2.gz JFLQTDRTUYGEBC-VFQAQYNWSA-N 1 0 325.372 2.584 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000580312855 324139730 /nfs/dbraw/zinc/13/97/30/324139730.db2.gz JFLQTDRTUYGEBC-BYPUDFOVSA-N 1 0 325.372 2.584 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CCC(c3c[nH]cn3)CC1)CCCC2 ZINC000581068875 324298583 /nfs/dbraw/zinc/29/85/83/324298583.db2.gz JCNVDHRSHWMOQB-UHFFFAOYSA-N 1 0 327.388 2.976 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000582796147 324673925 /nfs/dbraw/zinc/67/39/25/324673925.db2.gz KSWXKMVDXLFMMX-HNNXBMFYSA-N 1 0 342.351 2.979 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128871003 472506391 /nfs/dbraw/zinc/50/63/91/472506391.db2.gz QIMKHYTVZAATTK-SJORKVTESA-N 1 0 330.388 2.944 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000124515186 473254407 /nfs/dbraw/zinc/25/44/07/473254407.db2.gz CHCQVIIJJAZKRD-QWRGUYRKSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124572647 473265876 /nfs/dbraw/zinc/26/58/76/473265876.db2.gz YNDLMYCBWJDULQ-CMPLNLGQSA-N 1 0 325.796 2.803 10 5 EFBERO Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000190449954 473278715 /nfs/dbraw/zinc/27/87/15/473278715.db2.gz UCXHTYWPNDGFQD-MRXNPFEDSA-N 1 0 341.415 2.652 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190450535 473278739 /nfs/dbraw/zinc/27/87/39/473278739.db2.gz CJZUWXZYXMGKHO-INIZCTEOSA-N 1 0 341.415 2.652 10 5 EFBERO Cc1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190450018 473278817 /nfs/dbraw/zinc/27/88/17/473278817.db2.gz XSFRVFAAGZUHTP-INIZCTEOSA-N 1 0 341.415 2.652 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176976366 473279127 /nfs/dbraw/zinc/27/91/27/473279127.db2.gz YJCSAPSDFYSSGH-CYBMUJFWSA-N 1 0 337.445 2.873 10 5 EFBERO Cc1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190449998 473279466 /nfs/dbraw/zinc/27/94/66/473279466.db2.gz XSFRVFAAGZUHTP-MRXNPFEDSA-N 1 0 341.415 2.652 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919124 473331978 /nfs/dbraw/zinc/33/19/78/473331978.db2.gz BWSCFWFAFGUWAL-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO CCc1n[nH]c(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190686041 473360708 /nfs/dbraw/zinc/36/07/08/473360708.db2.gz UUYBWVZLKYKTCY-UHFFFAOYSA-N 1 0 329.404 2.697 10 5 EFBERO CCc1nnc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190704556 473367619 /nfs/dbraw/zinc/36/76/19/473367619.db2.gz VPUGSAQGZCTJME-UHFFFAOYSA-N 1 0 345.403 2.534 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177496997 473389407 /nfs/dbraw/zinc/38/94/07/473389407.db2.gz MNBZOCTXUZDPQX-DZGCQCFKSA-N 1 0 332.404 2.994 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424334831 477375213 /nfs/dbraw/zinc/37/52/13/477375213.db2.gz XCTIEJSDXFUUGV-QWHCGFSZSA-N 1 0 335.404 2.513 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000601596827 478898524 /nfs/dbraw/zinc/89/85/24/478898524.db2.gz VHJHHGIWIDQCJW-UHFFFAOYSA-N 1 0 348.447 2.919 10 5 EFBERO C[NH+](C)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000005392991 471503349 /nfs/dbraw/zinc/50/33/49/471503349.db2.gz DCJKONNQRWODKV-UHFFFAOYSA-N 1 0 328.437 2.881 10 5 EFBERO COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(OC)cc3C[N+]1(C)CC2 ZINC000005764808 471520721 /nfs/dbraw/zinc/52/07/21/471520721.db2.gz RBBVPNQTBKHOEQ-BJQOMGFOSA-O 1 0 342.415 2.915 10 5 biogenic,in-vitro EFBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccc4cccnc4c3nc21 ZINC000005808523 471521114 /nfs/dbraw/zinc/52/11/14/471521114.db2.gz GLMWMMUYBHLEFZ-UHFFFAOYSA-N 1 0 345.406 2.623 10 5 EFBERO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000008351878 471684060 /nfs/dbraw/zinc/68/40/60/471684060.db2.gz ULMFCZWQDZVQDX-CQSZACIVSA-N 1 0 349.431 2.988 10 5 EFBERO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055024407 472131885 /nfs/dbraw/zinc/13/18/85/472131885.db2.gz PCXXOOJRTRPMCJ-KRWDZBQOSA-N 1 0 348.374 2.648 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4cccc(N)c4c(c32)C1=O ZINC000027555292 472181224 /nfs/dbraw/zinc/18/12/24/472181224.db2.gz KJDQEAYPSNOTSK-UHFFFAOYSA-N 1 0 333.391 2.733 10 5 EFBERO CC(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000068777345 472240458 /nfs/dbraw/zinc/24/04/58/472240458.db2.gz SRWGAKHZMMOORA-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000056325139 472305334 /nfs/dbraw/zinc/30/53/34/472305334.db2.gz IRMOGYWPPONWST-UHFFFAOYSA-N 1 0 332.404 2.935 10 5 EFBERO C[N@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000087193983 472313864 /nfs/dbraw/zinc/31/38/64/472313864.db2.gz VLSABRVETXUPKB-UHFFFAOYSA-N 1 0 333.432 2.908 10 5 EFBERO COc1cc(CN2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384324 479982014 /nfs/dbraw/zinc/98/20/14/479982014.db2.gz WZFRKKDFPYSOIF-SNVBAGLBSA-N 1 0 334.294 2.946 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000031825853 472398263 /nfs/dbraw/zinc/39/82/63/472398263.db2.gz KHINHXURKGQLKC-NSHDSACASA-N 1 0 325.434 2.777 10 5 EFBERO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000069811439 472438373 /nfs/dbraw/zinc/43/83/73/472438373.db2.gz DVZMWBIYIBUAMI-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000069894357 472460521 /nfs/dbraw/zinc/46/05/21/472460521.db2.gz JAZSRQMSLQHJCK-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO Cc1c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000155306586 472531772 /nfs/dbraw/zinc/53/17/72/472531772.db2.gz HOMBZYAWJJWTNP-INIZCTEOSA-N 1 0 341.411 2.806 10 5 EFBERO CCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000101354043 472531965 /nfs/dbraw/zinc/53/19/65/472531965.db2.gz VIPBVWOVKUYUIK-OAHLLOKOSA-N 1 0 330.388 2.635 10 5 EFBERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000071193060 472544708 /nfs/dbraw/zinc/54/47/08/472544708.db2.gz BTKWWJKKIIBTHF-SNVBAGLBSA-N 1 0 328.210 2.745 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000101913507 472557306 /nfs/dbraw/zinc/55/73/06/472557306.db2.gz SAIRGCGEPQAIMR-AWEZNQCLSA-N 1 0 339.342 2.642 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000155632153 472584774 /nfs/dbraw/zinc/58/47/74/472584774.db2.gz FDHLZTJTCKRDQY-WFASDCNBSA-N 1 0 337.445 2.532 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000155675807 472593424 /nfs/dbraw/zinc/59/34/24/472593424.db2.gz OVOMCVSNTXARIM-MFKMUULPSA-N 1 0 325.796 2.707 10 5 EFBERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224250 472609614 /nfs/dbraw/zinc/60/96/14/472609614.db2.gz MVAKXBFODJFOOC-JKSUJKDBSA-N 1 0 341.415 2.941 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046859435 472610818 /nfs/dbraw/zinc/61/08/18/472610818.db2.gz QMOMFYMDLNUFJA-CYBMUJFWSA-N 1 0 335.404 2.598 10 5 EFBERO COc1c(C)cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090524696 472630503 /nfs/dbraw/zinc/63/05/03/472630503.db2.gz IPHBUEXMCAPTJC-UHFFFAOYSA-N 1 0 345.399 2.514 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000120124063 472635329 /nfs/dbraw/zinc/63/53/29/472635329.db2.gz PNOVWFSWHXRHML-CQSZACIVSA-N 1 0 332.404 2.914 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CCOCC1 ZINC000156028084 472657015 /nfs/dbraw/zinc/65/70/15/472657015.db2.gz FIVNDOXEOQLHJE-UHFFFAOYSA-N 1 0 335.404 2.590 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047142690 472659509 /nfs/dbraw/zinc/65/95/09/472659509.db2.gz HTYYMXAENZNWFT-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104413524 472671206 /nfs/dbraw/zinc/67/12/06/472671206.db2.gz PLDPQRZZTZLOAF-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047319726 472689242 /nfs/dbraw/zinc/68/92/42/472689242.db2.gz UFJGUKNCTBBYQP-UHFFFAOYSA-N 1 0 348.403 2.696 10 5 EFBERO O=C(C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000061761489 472719410 /nfs/dbraw/zinc/71/94/10/472719410.db2.gz LNKBKIMDRDXMTK-UHFFFAOYSA-N 1 0 331.416 2.819 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802159 472777129 /nfs/dbraw/zinc/77/71/29/472777129.db2.gz MWUHTRGPVVTWMX-DZGCQCFKSA-N 1 0 327.388 2.704 10 5 EFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000105884799 472795850 /nfs/dbraw/zinc/79/58/50/472795850.db2.gz RGQRIWXRLDBPRD-MRXNPFEDSA-N 1 0 329.404 2.715 10 5 EFBERO COc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000105887101 472797868 /nfs/dbraw/zinc/79/78/68/472797868.db2.gz QPVPPWZKAUHXAC-UHFFFAOYSA-N 1 0 330.388 2.712 10 5 EFBERO Cc1cnn([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105901547 472806716 /nfs/dbraw/zinc/80/67/16/472806716.db2.gz PSRACASEIAJMII-HNNXBMFYSA-N 1 0 330.388 2.816 10 5 EFBERO Cc1cnc(CCN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000157338077 472810219 /nfs/dbraw/zinc/81/02/19/472810219.db2.gz COKHQVSVSROPNZ-LBPRGKRZSA-N 1 0 348.428 2.861 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133533990 472815813 /nfs/dbraw/zinc/81/58/13/472815813.db2.gz OJVWFEQSXABDOP-OWZHMFJBSA-N 1 0 345.399 2.818 10 5 EFBERO Cc1sc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000048178185 472825713 /nfs/dbraw/zinc/82/57/13/472825713.db2.gz OMEPPNQDXHNPSW-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO CC(C)c1nc2c(n1C)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106373520 472845996 /nfs/dbraw/zinc/84/59/96/472845996.db2.gz IPJDPKZCIXYNOX-UHFFFAOYSA-N 1 0 344.415 2.889 10 5 EFBERO C[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000073947639 472907966 /nfs/dbraw/zinc/90/79/66/472907966.db2.gz FLIWUKZSRSLTAB-UHFFFAOYSA-N 1 0 348.447 2.701 10 5 EFBERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121901453 472940652 /nfs/dbraw/zinc/94/06/52/472940652.db2.gz OJJMCJJKMILBNG-QGZVFWFLSA-N 1 0 327.384 2.936 10 5 EFBERO O=C(C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000134832062 472973476 /nfs/dbraw/zinc/97/34/76/472973476.db2.gz XBQPODQGQNSIMK-HNNXBMFYSA-N 1 0 346.362 2.668 10 5 EFBERO Cc1nc(Nc2cnn(CC[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000092978286 473016591 /nfs/dbraw/zinc/01/65/91/473016591.db2.gz AIYCECVWYAWSCV-UHFFFAOYSA-N 1 0 330.392 2.724 10 5 EFBERO CC[NH+](CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)CC(C)C ZINC000122460452 473017234 /nfs/dbraw/zinc/01/72/34/473017234.db2.gz OTBHUXVZAWYTEF-ZDUSSCGKSA-N 1 0 334.424 2.806 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051377025 473044259 /nfs/dbraw/zinc/04/42/59/473044259.db2.gz IOFMOWXAENXHBM-LBPRGKRZSA-N 1 0 346.412 2.542 10 5 EFBERO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000080680617 473068351 /nfs/dbraw/zinc/06/83/51/473068351.db2.gz OLOVKIHEUCLEFR-ZDUSSCGKSA-N 1 0 342.827 2.580 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122893987 473070122 /nfs/dbraw/zinc/07/01/22/473070122.db2.gz HSBXFNWFDPVRGM-TZMCWYRMSA-N 1 0 348.403 2.694 10 5 EFBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c2ncccc12 ZINC000052308873 473100469 /nfs/dbraw/zinc/10/04/69/473100469.db2.gz FQJKNVIQJUUSLR-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755764 473117939 /nfs/dbraw/zinc/11/79/39/473117939.db2.gz RHWKAYTUDLTUOA-APWZRJJASA-N 1 0 346.475 2.758 10 5 EFBERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000052555167 473123721 /nfs/dbraw/zinc/12/37/21/473123721.db2.gz HFPWSSAIYGWTGK-MRXNPFEDSA-N 1 0 327.384 2.936 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136076718 473132575 /nfs/dbraw/zinc/13/25/75/473132575.db2.gz LCKQWLIFSAZZIF-HZPDHXFCSA-N 1 0 347.415 2.520 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110351028 473153791 /nfs/dbraw/zinc/15/37/91/473153791.db2.gz IHXKUXBBPLTWCH-ZDUSSCGKSA-N 1 0 342.399 2.549 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890677 473183675 /nfs/dbraw/zinc/18/36/75/473183675.db2.gz SCIMCURMUISLJS-LRDDRELGSA-N 1 0 344.367 2.750 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177507780 473392635 /nfs/dbraw/zinc/39/26/35/473392635.db2.gz VVYHOZTVBZWXTM-UONOGXRCSA-N 1 0 332.404 2.994 10 5 EFBERO CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185510556 473446575 /nfs/dbraw/zinc/44/65/75/473446575.db2.gz DMEZXURKIXKEAS-INIZCTEOSA-N 1 0 334.420 2.782 10 5 EFBERO CC(C)C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000114376582 473457499 /nfs/dbraw/zinc/45/74/99/473457499.db2.gz SAYWJJLFZGXBNF-CYBMUJFWSA-N 1 0 332.404 2.782 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651554 473478455 /nfs/dbraw/zinc/47/84/55/473478455.db2.gz MDEPUHHPIJYDLT-SJORKVTESA-N 1 0 334.416 2.967 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654043 473479583 /nfs/dbraw/zinc/47/95/83/473479583.db2.gz VUNNDIKPBVNEKP-SJORKVTESA-N 1 0 334.416 2.967 10 5 EFBERO Cc1c(Br)c(N2CCC(CC[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000165825443 473516453 /nfs/dbraw/zinc/51/64/53/473516453.db2.gz UABQZPLQQCLYON-UHFFFAOYSA-N 1 0 343.225 2.626 10 5 EFBERO O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126763487 473543516 /nfs/dbraw/zinc/54/35/16/473543516.db2.gz XHAJUPVVBYHGPB-SFHVURJKSA-N 1 0 344.367 2.753 10 5 EFBERO COC[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170603116 473561408 /nfs/dbraw/zinc/56/14/08/473561408.db2.gz NFUZWLBWNBYSKM-CQSZACIVSA-N 1 0 344.415 2.548 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000191909245 473588356 /nfs/dbraw/zinc/58/83/56/473588356.db2.gz DRZVOPICPWBCQP-UHFFFAOYSA-N 1 0 345.403 2.732 10 5 EFBERO CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000116278078 473644978 /nfs/dbraw/zinc/64/49/78/473644978.db2.gz WWERNLTZYKLXAE-OAHLLOKOSA-N 1 0 341.839 2.791 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186320315 473648070 /nfs/dbraw/zinc/64/80/70/473648070.db2.gz BPUPVJQIXTUFLL-DLBZAZTESA-N 1 0 334.416 2.701 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000153909890 473648860 /nfs/dbraw/zinc/64/88/60/473648860.db2.gz MQBPYNFITPNVKA-INIZCTEOSA-N 1 0 346.358 2.532 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186548803 473688892 /nfs/dbraw/zinc/68/88/92/473688892.db2.gz VXXAQERMRQVACD-LBPRGKRZSA-N 1 0 337.807 2.534 10 5 EFBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)cc1OC(F)F ZINC000172822762 473689381 /nfs/dbraw/zinc/68/93/81/473689381.db2.gz SDHDPAMIDYAPOA-UHFFFAOYSA-N 1 0 345.346 2.721 10 5 EFBERO CCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172837122 473691532 /nfs/dbraw/zinc/69/15/32/473691532.db2.gz CMLXXKLWWFITRB-HNNXBMFYSA-N 1 0 349.431 2.940 10 5 EFBERO Cn1c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2sc1=O ZINC000192676203 473705039 /nfs/dbraw/zinc/70/50/39/473705039.db2.gz XZGOMKCSBIDNOF-UHFFFAOYSA-N 1 0 329.381 2.798 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000172994711 473721877 /nfs/dbraw/zinc/72/18/77/473721877.db2.gz BLSXADLUBUUCRG-QGZVFWFLSA-N 1 0 331.416 2.614 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246177407 473793344 /nfs/dbraw/zinc/79/33/44/473793344.db2.gz MLDXQJONWFSBLY-WMLDXEAASA-N 1 0 333.432 2.716 10 5 EFBERO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000246272826 473812478 /nfs/dbraw/zinc/81/24/78/473812478.db2.gz MNEMMWJNXVWQHO-QGZVFWFLSA-N 1 0 333.432 2.579 10 5 EFBERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246298956 473822445 /nfs/dbraw/zinc/82/24/45/473822445.db2.gz PMLNESPOTYQMPL-IXDOHACOSA-N 1 0 334.416 2.908 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444455 473840680 /nfs/dbraw/zinc/84/06/80/473840680.db2.gz RSTOWQFFSIGCJM-DZGCQCFKSA-N 1 0 329.404 2.648 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000263914820 473904538 /nfs/dbraw/zinc/90/45/38/473904538.db2.gz LZPFSTMYZNPLGJ-GXTWGEPZSA-N 1 0 337.445 2.628 10 5 EFBERO C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270072220 473977674 /nfs/dbraw/zinc/97/76/74/473977674.db2.gz ZMDDXPNMTAGZOH-FMKPAKJESA-N 1 0 329.404 2.576 10 5 EFBERO CC(C)C[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000195191512 474026472 /nfs/dbraw/zinc/02/64/72/474026472.db2.gz IPIWNWSGKKROOE-UHFFFAOYSA-N 1 0 344.415 2.926 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cn[nH]c1 ZINC000275164500 474091295 /nfs/dbraw/zinc/09/12/95/474091295.db2.gz JRTBAZHBWIRIMP-BDAKNGLRSA-N 1 0 337.767 2.649 10 5 EFBERO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275164509 474091591 /nfs/dbraw/zinc/09/15/91/474091591.db2.gz JRTBAZHBWIRIMP-RKDXNWHRSA-N 1 0 337.767 2.649 10 5 EFBERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176309 474115767 /nfs/dbraw/zinc/11/57/67/474115767.db2.gz PMPFANFFDVAMMF-LSDHHAIUSA-N 1 0 330.384 2.994 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247363458 474130019 /nfs/dbraw/zinc/13/00/19/474130019.db2.gz OSESNFCTVOMORX-QMTHXVAHSA-N 1 0 325.796 2.707 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175008945 474130301 /nfs/dbraw/zinc/13/03/01/474130301.db2.gz UZQVYBIQEWRFMP-CHWSQXEVSA-N 1 0 337.807 2.947 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247399975 474137479 /nfs/dbraw/zinc/13/74/79/474137479.db2.gz RAAWDAGIYVCTRE-IJEWVQPXSA-N 1 0 348.447 2.992 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247448660 474149341 /nfs/dbraw/zinc/14/93/41/474149341.db2.gz SNQFRDMFPXUULG-DGCLKSJQSA-N 1 0 337.445 2.775 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282682725 474155310 /nfs/dbraw/zinc/15/53/10/474155310.db2.gz KNRWTFRLKMVDPN-WBVHZDCISA-N 1 0 334.416 2.561 10 5 EFBERO Cc1cccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000275374990 474163294 /nfs/dbraw/zinc/16/32/94/474163294.db2.gz ADXPJVOIGFADCP-INIZCTEOSA-N 1 0 332.448 2.510 10 5 EFBERO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000265485383 474231640 /nfs/dbraw/zinc/23/16/40/474231640.db2.gz ITFDBSQJSUMXKU-NSHDSACASA-N 1 0 340.811 2.556 10 5 EFBERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000235669084 474269538 /nfs/dbraw/zinc/26/95/38/474269538.db2.gz OOBZHQBJVQUKEN-UWVGGRQHSA-N 1 0 328.210 2.839 10 5 EFBERO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182917642 474287817 /nfs/dbraw/zinc/28/78/17/474287817.db2.gz AWDUVEMZLVTZLR-CQSZACIVSA-N 1 0 344.415 2.710 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000275731999 474297102 /nfs/dbraw/zinc/29/71/02/474297102.db2.gz AMCSMHUTRLEUJI-LBPRGKRZSA-N 1 0 325.796 2.723 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175773321 474304689 /nfs/dbraw/zinc/30/46/89/474304689.db2.gz DXRNMVOISZPMRZ-ZIAGYGMSSA-N 1 0 336.436 2.994 10 5 EFBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000248420809 474317288 /nfs/dbraw/zinc/31/72/88/474317288.db2.gz LZPGHFYIDXTING-CYBMUJFWSA-N 1 0 341.839 2.791 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248557257 474357231 /nfs/dbraw/zinc/35/72/31/474357231.db2.gz ILCGXBIGOGJFMM-UMVBOHGHSA-N 1 0 349.406 2.923 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000248564259 474360774 /nfs/dbraw/zinc/36/07/74/474360774.db2.gz DMXVJFJWGODVAT-AFAVFJNCSA-N 1 0 328.368 2.783 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000248573643 474363970 /nfs/dbraw/zinc/36/39/70/474363970.db2.gz NYSBRRFAVIDYER-CABCVRRESA-N 1 0 332.404 2.994 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183304199 474372572 /nfs/dbraw/zinc/37/25/72/474372572.db2.gz SNCYKESZHDPLQL-VSOYFRJCSA-N 1 0 329.400 2.695 10 5 EFBERO CC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176138364 474391367 /nfs/dbraw/zinc/39/13/67/474391367.db2.gz ZBPRTJDHTDCPIU-BLLLJJGKSA-N 1 0 334.420 2.828 10 5 EFBERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678290 474410597 /nfs/dbraw/zinc/41/05/97/474410597.db2.gz LEUJRELDBMIAHW-ZDUSSCGKSA-N 1 0 340.387 2.636 10 5 EFBERO CCc1csc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176222985 474413659 /nfs/dbraw/zinc/41/36/59/474413659.db2.gz ZGUVJMTYMLIWEG-GFCCVEGCSA-N 1 0 335.433 2.690 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248722666 474415237 /nfs/dbraw/zinc/41/52/37/474415237.db2.gz GFHSFFFAEQDJFH-DOTOQJQBSA-N 1 0 340.383 2.551 10 5 EFBERO CC[NH+](CC)CCSc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000283738348 474483277 /nfs/dbraw/zinc/48/32/77/474483277.db2.gz IVHNTJXEWHFLJG-UHFFFAOYSA-N 1 0 327.406 2.519 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000176493995 474487494 /nfs/dbraw/zinc/48/74/94/474487494.db2.gz VFYYAUDASOQLQY-WWGRRREGSA-N 1 0 334.420 2.684 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830347 474496402 /nfs/dbraw/zinc/49/64/02/474496402.db2.gz DPXWWUODADBTNL-HOCLYGCPSA-N 1 0 330.384 2.823 10 5 EFBERO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154100 474603083 /nfs/dbraw/zinc/60/30/83/474603083.db2.gz DCASNMLVAQUDOQ-DIFFPNOSSA-N 1 0 334.347 2.954 10 5 EFBERO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154103 474603992 /nfs/dbraw/zinc/60/39/92/474603992.db2.gz DCASNMLVAQUDOQ-PIGZYNQJSA-N 1 0 334.347 2.954 10 5 EFBERO COCC[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291699045 474652226 /nfs/dbraw/zinc/65/22/26/474652226.db2.gz UCJQJDQHPLKVAN-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO CC(C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCOC1 ZINC000291771311 474679479 /nfs/dbraw/zinc/67/94/79/474679479.db2.gz LSGXGBQDEHWCPQ-CQSZACIVSA-N 1 0 332.360 2.644 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000344389168 474711856 /nfs/dbraw/zinc/71/18/56/474711856.db2.gz JAQYISDQHPXRFH-HNNXBMFYSA-N 1 0 349.431 2.663 10 5 EFBERO Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000305301813 474729955 /nfs/dbraw/zinc/72/99/55/474729955.db2.gz JSSXSMRCUQWFMJ-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337177408 474759309 /nfs/dbraw/zinc/75/93/09/474759309.db2.gz OWJOTBUBHCLTKU-CABCVRRESA-N 1 0 347.415 2.672 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000278658515 474759716 /nfs/dbraw/zinc/75/97/16/474759716.db2.gz NYSUUZHSRFZUCZ-MFKMUULPSA-N 1 0 337.807 2.769 10 5 EFBERO Cc1cc(C)n2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000338952837 474772953 /nfs/dbraw/zinc/77/29/53/474772953.db2.gz FUKDHHANVQDOPH-UHFFFAOYSA-N 1 0 339.399 2.929 10 5 EFBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000284804373 474778697 /nfs/dbraw/zinc/77/86/97/474778697.db2.gz OUQSDCVLYWGDGU-OAHLLOKOSA-N 1 0 349.431 2.874 10 5 EFBERO C[NH+]1CCC(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000273216250 474783240 /nfs/dbraw/zinc/78/32/40/474783240.db2.gz OJGXAISIKRIJDF-UHFFFAOYSA-N 1 0 331.416 2.818 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000292005217 474797036 /nfs/dbraw/zinc/79/70/36/474797036.db2.gz XNADKYJAAJHUJP-OAHLLOKOSA-N 1 0 335.404 2.731 10 5 EFBERO CS[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000273339483 474849813 /nfs/dbraw/zinc/84/98/13/474849813.db2.gz QEKXNXZTIJIHNH-HUXQLNKYSA-N 1 0 349.456 2.502 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000273426509 474892296 /nfs/dbraw/zinc/89/22/96/474892296.db2.gz KKZDOFIABMHFQS-HNNXBMFYSA-N 1 0 332.375 2.983 10 5 EFBERO Cn1c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2sc1=O ZINC000341030936 474895987 /nfs/dbraw/zinc/89/59/87/474895987.db2.gz KZUJOBKATSBSBV-UHFFFAOYSA-N 1 0 343.408 2.841 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000273456506 474907764 /nfs/dbraw/zinc/90/77/64/474907764.db2.gz UXGFGSCZAPMPPL-QZWYOBMBSA-N 1 0 329.400 2.597 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000285170720 474913881 /nfs/dbraw/zinc/91/38/81/474913881.db2.gz UWXZGLUNFBBXDP-KBPBESRZSA-N 1 0 345.321 2.523 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000341063777 474933212 /nfs/dbraw/zinc/93/32/12/474933212.db2.gz FCYVOLINCFTIII-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322050343 474933738 /nfs/dbraw/zinc/93/37/38/474933738.db2.gz ARNXVOICMDDWKJ-ABAIWWIYSA-N 1 0 337.807 2.852 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341069231 474939115 /nfs/dbraw/zinc/93/91/15/474939115.db2.gz OKAVDUXSGSPUAS-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO COC(=O)c1cc(N(C)C2CC[NH+](C(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268454884 474988809 /nfs/dbraw/zinc/98/88/09/474988809.db2.gz BSQXTIIAQUTSAD-UHFFFAOYSA-N 1 0 349.431 2.999 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285379561 474997263 /nfs/dbraw/zinc/99/72/63/474997263.db2.gz CQTWAUACXZPOLV-INIZCTEOSA-N 1 0 346.431 2.673 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124323 475000261 /nfs/dbraw/zinc/00/02/61/475000261.db2.gz VITLENZRJLTCAR-ZIAGYGMSSA-N 1 0 334.420 2.657 10 5 EFBERO CNC(=O)c1ccc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000341126226 475002950 /nfs/dbraw/zinc/00/29/50/475002950.db2.gz NNKSBCGJYMOQMU-CHWSQXEVSA-N 1 0 334.420 2.629 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000341127609 475003078 /nfs/dbraw/zinc/00/30/78/475003078.db2.gz TXDNGBKYFTXTJF-GFCCVEGCSA-N 1 0 338.408 2.617 10 5 EFBERO CC(=O)NC1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000268880751 475048627 /nfs/dbraw/zinc/04/86/27/475048627.db2.gz WTRXSEDDYRIRIM-IGEOTXOUSA-N 1 0 333.432 2.953 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261838746 475079288 /nfs/dbraw/zinc/07/92/88/475079288.db2.gz UHOULNLTQDBLNM-GOSISDBHSA-N 1 0 341.411 2.792 10 5 EFBERO COc1ccc(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609346807 480150961 /nfs/dbraw/zinc/15/09/61/480150961.db2.gz PMHPPEVQBPDFTC-KBPBESRZSA-N 1 0 349.431 2.525 10 5 EFBERO COC(=O)/C=C/c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000296059568 475182818 /nfs/dbraw/zinc/18/28/18/475182818.db2.gz RAEMHKBHODYUHQ-HCAHTGKVSA-N 1 0 345.399 2.818 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000262142220 475183108 /nfs/dbraw/zinc/18/31/08/475183108.db2.gz DZPOIJIEIVXGJG-AWEZNQCLSA-N 1 0 333.413 2.811 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000609348204 480151725 /nfs/dbraw/zinc/15/17/25/480151725.db2.gz OETCKMFRSJHAAW-OAHLLOKOSA-N 1 0 346.431 2.727 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000354545998 475239510 /nfs/dbraw/zinc/23/95/10/475239510.db2.gz FPGRXCHAAUWZCC-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000347332572 475240105 /nfs/dbraw/zinc/24/01/05/475240105.db2.gz HEVGJUAEALSOQG-SFHVURJKSA-N 1 0 340.383 2.978 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000361213950 475273623 /nfs/dbraw/zinc/27/36/23/475273623.db2.gz TUZUBJYVEJGWHU-QAPCUYQASA-N 1 0 345.443 2.716 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352417987 475275789 /nfs/dbraw/zinc/27/57/89/475275789.db2.gz XHBSSIIDTDKMOT-UHFFFAOYSA-N 1 0 349.431 2.684 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000339600731 475337840 /nfs/dbraw/zinc/33/78/40/475337840.db2.gz YZKVPPDEPJSXHZ-PRUJXARGSA-N 1 0 342.399 2.813 10 5 EFBERO CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)n1 ZINC000345717451 475391863 /nfs/dbraw/zinc/39/18/63/475391863.db2.gz UXEWMKWFORRQJS-UHFFFAOYSA-N 1 0 342.359 2.590 10 5 EFBERO CC1=CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000358149310 475440626 /nfs/dbraw/zinc/44/06/26/475440626.db2.gz YWYNPHOEWHUSGR-UHFFFAOYSA-N 1 0 341.358 2.938 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358162332 475451570 /nfs/dbraw/zinc/45/15/70/475451570.db2.gz HFDBRMAHUHUXMA-QGZVFWFLSA-N 1 0 346.431 2.997 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172140 475458840 /nfs/dbraw/zinc/45/88/40/475458840.db2.gz IEUCMCVHFWYPAA-JHMUCCBASA-N 1 0 343.427 2.515 10 5 EFBERO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCN1c1cccnn1 ZINC000352617521 475462860 /nfs/dbraw/zinc/46/28/60/475462860.db2.gz DTZVUHBFPVOBDN-OAHLLOKOSA-N 1 0 345.378 2.625 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358188719 475471669 /nfs/dbraw/zinc/47/16/69/475471669.db2.gz LNEUYSPETFGNQO-OAHLLOKOSA-N 1 0 346.431 2.915 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000358192292 475476105 /nfs/dbraw/zinc/47/61/05/475476105.db2.gz PLKNFPXGPJMKJL-CQSZACIVSA-N 1 0 332.404 2.607 10 5 EFBERO CCOc1cc(CN(CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000361507661 475505039 /nfs/dbraw/zinc/50/50/39/475505039.db2.gz GBWGDOZFVMACSS-UHFFFAOYSA-N 1 0 334.372 2.889 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000338018798 475510843 /nfs/dbraw/zinc/51/08/43/475510843.db2.gz YYUXVBCULJIGBF-HOTGVXAUSA-N 1 0 338.429 2.537 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000296885206 475521038 /nfs/dbraw/zinc/52/10/38/475521038.db2.gz IAGZEADETMWJEI-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCCC[C@H]3CCO)n2)cc1 ZINC000342071453 475547566 /nfs/dbraw/zinc/54/75/66/475547566.db2.gz XSKMFASVMPRZHQ-AWEZNQCLSA-N 1 0 346.387 2.772 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000358297104 475568734 /nfs/dbraw/zinc/56/87/34/475568734.db2.gz KRPANKZKRCBSOB-IBILFNBTSA-N 1 0 328.434 2.801 10 5 EFBERO O=C1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000352781600 475620011 /nfs/dbraw/zinc/62/00/11/475620011.db2.gz DRFSHHHXNYHIIH-YJBOKZPZSA-N 1 0 325.368 2.552 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000355128564 475686590 /nfs/dbraw/zinc/68/65/90/475686590.db2.gz CNZDIPSFDVJJGZ-OCCSQVGLSA-N 1 0 336.388 2.613 10 5 EFBERO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297333409 475712837 /nfs/dbraw/zinc/71/28/37/475712837.db2.gz HZBZXGUEOZXVIB-RVBZMBCESA-N 1 0 345.321 2.811 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457539 475764641 /nfs/dbraw/zinc/76/46/41/475764641.db2.gz CCBXPMSVNNMFJX-HEHGZKQESA-N 1 0 334.420 2.780 10 5 EFBERO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340188180 475839140 /nfs/dbraw/zinc/83/91/40/475839140.db2.gz DSPUCRVQEFJITH-AWEZNQCLSA-N 1 0 331.416 2.568 10 5 EFBERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297877241 475911512 /nfs/dbraw/zinc/91/15/12/475911512.db2.gz RFSIYWMZCBKUON-AOOOYVTPSA-N 1 0 345.321 2.778 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnn1 ZINC000346878805 475933624 /nfs/dbraw/zinc/93/36/24/475933624.db2.gz MLNBNSAEQHQISE-ZDUSSCGKSA-N 1 0 335.433 2.737 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnn1 ZINC000346878803 475933690 /nfs/dbraw/zinc/93/36/90/475933690.db2.gz MLNBNSAEQHQISE-CYBMUJFWSA-N 1 0 335.433 2.737 10 5 EFBERO CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000358785785 475935248 /nfs/dbraw/zinc/93/52/48/475935248.db2.gz NUVRVZUTVZPJPT-LLVKDONJSA-N 1 0 335.433 2.915 10 5 EFBERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353578890 476094538 /nfs/dbraw/zinc/09/45/38/476094538.db2.gz VEGGOBWCBSBPOF-INIZCTEOSA-N 1 0 331.416 2.738 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3cc[nH]c3n2)n1 ZINC000353623703 476133065 /nfs/dbraw/zinc/13/30/65/476133065.db2.gz CBKZPLIWNHXCFG-LSDHHAIUSA-N 1 0 340.387 2.941 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362312846 476161738 /nfs/dbraw/zinc/16/17/38/476161738.db2.gz BDCNQQHCAOAJIS-OLZOCXBDSA-N 1 0 338.379 2.991 10 5 EFBERO COc1cc(C[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])cc1F ZINC000362324361 476170739 /nfs/dbraw/zinc/17/07/39/476170739.db2.gz QPPVIJGRMDWRBH-UHFFFAOYSA-N 1 0 326.368 2.917 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340660243 476186621 /nfs/dbraw/zinc/18/66/21/476186621.db2.gz IVMAFYNPKOVCAQ-ZIAGYGMSSA-N 1 0 333.432 2.814 10 5 EFBERO COc1ccc(C[C@@](C)([NH3+])CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359104949 476191758 /nfs/dbraw/zinc/19/17/58/476191758.db2.gz WELUCDOYICJZJT-GOSISDBHSA-N 1 0 344.415 2.987 10 5 EFBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357077815 476211412 /nfs/dbraw/zinc/21/14/12/476211412.db2.gz XLHSPWZZNMCNTH-KSSFIOAISA-N 1 0 347.415 2.814 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000347308630 476247788 /nfs/dbraw/zinc/24/77/88/476247788.db2.gz CYLMDABZKJZNLV-KAMYIIQDSA-N 1 0 331.416 2.798 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362454431 476263365 /nfs/dbraw/zinc/26/33/65/476263365.db2.gz QIGNRNFCYLTCTG-YOEHRIQHSA-N 1 0 347.415 2.733 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c2c1 ZINC000351045360 476326376 /nfs/dbraw/zinc/32/63/76/476326376.db2.gz IBMWUENZIRRSGN-UHFFFAOYSA-N 1 0 347.294 2.836 10 5 EFBERO CC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353976522 476343944 /nfs/dbraw/zinc/34/39/44/476343944.db2.gz XYYMHPPTAPFTIN-FZMZJTMJSA-N 1 0 326.418 2.601 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000353975711 476344284 /nfs/dbraw/zinc/34/42/84/476344284.db2.gz VMKMUFTWRTZXSK-NHYWBVRUSA-N 1 0 338.429 2.528 10 5 EFBERO COC(=O)c1cc(N2CCC3(CCC[N@@H+]3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000368880692 476377729 /nfs/dbraw/zinc/37/77/29/476377729.db2.gz AOIDODXGIHRPLF-UHFFFAOYSA-N 1 0 347.415 2.754 10 5 EFBERO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000369767116 476515327 /nfs/dbraw/zinc/51/53/27/476515327.db2.gz QEMGSLPXIRBGBO-JKSUJKDBSA-N 1 0 331.416 2.761 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000360992150 476529161 /nfs/dbraw/zinc/52/91/61/476529161.db2.gz ZYEYNCHKBUAXQS-LRDDRELGSA-N 1 0 332.429 2.968 10 5 EFBERO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369864092 476562303 /nfs/dbraw/zinc/56/23/03/476562303.db2.gz NOVAVANUVXJGSO-SFHVURJKSA-N 1 0 345.374 2.559 10 5 EFBERO COc1ccc(OC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000377947310 476651882 /nfs/dbraw/zinc/65/18/82/476651882.db2.gz JQCQLEUWQHJHKI-INIZCTEOSA-N 1 0 340.351 2.721 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000354424302 476654353 /nfs/dbraw/zinc/65/43/53/476654353.db2.gz IYDKRBNVRNMNTP-PWSUYJOCSA-N 1 0 325.434 2.910 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000363348483 476661696 /nfs/dbraw/zinc/66/16/96/476661696.db2.gz HVFAFTPZTRORLG-AWEZNQCLSA-N 1 0 343.383 2.924 10 5 EFBERO C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370193450 476690875 /nfs/dbraw/zinc/69/08/75/476690875.db2.gz KPXLBWJUPWDJSY-DNOWBOINSA-N 1 0 349.406 2.971 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])CN1 ZINC000378322935 476693238 /nfs/dbraw/zinc/69/32/38/476693238.db2.gz YILVZTLPAVQDGJ-GXTWGEPZSA-N 1 0 337.807 2.739 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375240013 476733425 /nfs/dbraw/zinc/73/34/25/476733425.db2.gz HFSNIROPFXUPCR-UONOGXRCSA-N 1 0 347.415 2.813 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375281683 476755886 /nfs/dbraw/zinc/75/58/86/476755886.db2.gz WEAWKOXLOXZYTF-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000370396854 476789772 /nfs/dbraw/zinc/78/97/72/476789772.db2.gz RUAICZORYGGDEN-LJQANCHMSA-N 1 0 339.395 2.857 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446081658 476824291 /nfs/dbraw/zinc/82/42/91/476824291.db2.gz WESDADANFMYGLJ-MJBXVCDLSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452105095 476826803 /nfs/dbraw/zinc/82/68/03/476826803.db2.gz OVPYYHDDVNRUEI-AWEZNQCLSA-N 1 0 335.404 2.672 10 5 EFBERO COC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000370539640 476862343 /nfs/dbraw/zinc/86/23/43/476862343.db2.gz NJAJTOHTMOBUOK-JSGCOSHPSA-N 1 0 333.388 2.729 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457077345 476862432 /nfs/dbraw/zinc/86/24/32/476862432.db2.gz CHWVPDXFLAEULI-CQSZACIVSA-N 1 0 335.404 2.548 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000370655642 476918161 /nfs/dbraw/zinc/91/81/61/476918161.db2.gz HHCGPRLCRDIODU-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO COC(=O)COc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430877232 476929499 /nfs/dbraw/zinc/92/94/99/476929499.db2.gz WAHSIUYSBPULST-GFCCVEGCSA-N 1 0 334.372 2.545 10 5 EFBERO Cc1c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cccc1[N+](=O)[O-] ZINC000423237443 476972631 /nfs/dbraw/zinc/97/26/31/476972631.db2.gz TXIISTCYPMWHDD-AWEZNQCLSA-N 1 0 341.415 2.881 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](N)c1ccccc1 ZINC000423237001 476972864 /nfs/dbraw/zinc/97/28/64/476972864.db2.gz HTRIOZXQOHPGCU-DYVFJYSZSA-N 1 0 342.399 2.602 10 5 EFBERO CN(C)c1ncccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542523 477009531 /nfs/dbraw/zinc/00/95/31/477009531.db2.gz JJQXMBNWFFTKBD-LSDHHAIUSA-N 1 0 344.419 2.526 10 5 EFBERO CN(C)c1ncccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542517 477009830 /nfs/dbraw/zinc/00/98/30/477009830.db2.gz JJQXMBNWFFTKBD-GJZGRUSLSA-N 1 0 344.419 2.526 10 5 EFBERO Cc1ccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+](C)C)cc1 ZINC000447681392 477035331 /nfs/dbraw/zinc/03/53/31/477035331.db2.gz YZLKGQCQQIRFAQ-KRWDZBQOSA-N 1 0 339.399 2.916 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@@H+]1C ZINC000447816150 477065518 /nfs/dbraw/zinc/06/55/18/477065518.db2.gz IZKOJGQCIXMWHZ-VIFPVBQESA-N 1 0 327.768 2.541 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000371019670 477083353 /nfs/dbraw/zinc/08/33/53/477083353.db2.gz TXVZKVGQFIKGIE-SWLSCSKDSA-N 1 0 349.456 2.921 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000366617657 477099174 /nfs/dbraw/zinc/09/91/74/477099174.db2.gz LEWCYZYIIWAWNA-ZDUSSCGKSA-N 1 0 328.372 2.773 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000366627650 477103732 /nfs/dbraw/zinc/10/37/32/477103732.db2.gz FTIULVJRYFIDQV-KGLIPLIRSA-N 1 0 349.456 2.921 10 5 EFBERO O=[N+]([O-])c1cccc2c(NCCCC[NH+]3CCOCC3)ccnc21 ZINC000432338304 477198417 /nfs/dbraw/zinc/19/84/17/477198417.db2.gz XCJATPISGLZSKX-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO Cc1ccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000371281035 477214927 /nfs/dbraw/zinc/21/49/27/477214927.db2.gz AYXYUVXONWQQCO-UHFFFAOYSA-N 1 0 325.368 2.955 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)C(=O)NC ZINC000453389003 477219046 /nfs/dbraw/zinc/21/90/46/477219046.db2.gz CIURQYCHNAXGDB-RYUDHWBXSA-N 1 0 325.434 2.580 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423935467 477224801 /nfs/dbraw/zinc/22/48/01/477224801.db2.gz AFIIFJKYKQNKES-RISCZKNCSA-N 1 0 337.807 2.852 10 5 EFBERO CSc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423972358 477239507 /nfs/dbraw/zinc/23/95/07/477239507.db2.gz ZLLROSODIQDOAE-KBPBESRZSA-N 1 0 349.456 2.921 10 5 EFBERO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000423973175 477240313 /nfs/dbraw/zinc/24/03/13/477240313.db2.gz JNWPFZTYAYRPDC-MRXNPFEDSA-N 1 0 343.383 2.596 10 5 EFBERO COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])cc1OC ZINC000371334837 477251005 /nfs/dbraw/zinc/25/10/05/477251005.db2.gz HLHQAKWUCBOFCQ-UHFFFAOYSA-N 1 0 346.387 2.715 10 5 EFBERO COC(=O)c1cc(C)nc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000376391657 477311507 /nfs/dbraw/zinc/31/15/07/477311507.db2.gz MUYULLJEANUIHE-UHFFFAOYSA-N 1 0 348.403 2.514 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367067472 477325530 /nfs/dbraw/zinc/32/55/30/477325530.db2.gz NFOAQBGTKCINGG-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000376450470 477339974 /nfs/dbraw/zinc/33/99/74/477339974.db2.gz UKGKURKRXOCHEV-CVEARBPZSA-N 1 0 331.416 2.866 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411848347 477391357 /nfs/dbraw/zinc/39/13/57/477391357.db2.gz NDVZTIHHHWTQDR-KRWDZBQOSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225721 477403554 /nfs/dbraw/zinc/40/35/54/477403554.db2.gz RNDINHMFTJOHOY-IGCXYCKISA-N 1 0 338.379 2.892 10 5 EFBERO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412095499 477410459 /nfs/dbraw/zinc/41/04/59/477410459.db2.gz XTAIXDPHDGIAGK-ZDUSSCGKSA-N 1 0 325.796 2.737 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412179749 477413449 /nfs/dbraw/zinc/41/34/49/477413449.db2.gz VHRFOHCUFYJDTP-BHYGNILZSA-N 1 0 333.432 2.791 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000436344128 477466759 /nfs/dbraw/zinc/46/67/59/477466759.db2.gz WVRKHNHPJABQBK-KRWDZBQOSA-N 1 0 342.399 2.559 10 5 EFBERO COc1cc(C[NH2+]CCCC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000449354338 477560261 /nfs/dbraw/zinc/56/02/61/477560261.db2.gz MNITWLKJXMCLDG-UHFFFAOYSA-N 1 0 338.404 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359795 477560411 /nfs/dbraw/zinc/56/04/11/477560411.db2.gz RHLDINIDLSMSRN-CQSZACIVSA-N 1 0 346.408 2.564 10 5 EFBERO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420234165 477644456 /nfs/dbraw/zinc/64/44/56/477644456.db2.gz GPEWIUIDIBEORM-GASCZTMLSA-N 1 0 339.399 2.691 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000368102145 477784764 /nfs/dbraw/zinc/78/47/64/477784764.db2.gz MOTOWCXAODOPED-ZBFHGGJFSA-N 1 0 326.400 2.786 10 5 EFBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469321 477828532 /nfs/dbraw/zinc/82/85/32/477828532.db2.gz JNSFJJJQQFTQJA-DZGCQCFKSA-N 1 0 330.432 2.932 10 5 EFBERO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438479758 477849726 /nfs/dbraw/zinc/84/97/26/477849726.db2.gz CRXHJVRRSBNKMC-ZDUSSCGKSA-N 1 0 335.404 2.910 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000451238656 477895775 /nfs/dbraw/zinc/89/57/75/477895775.db2.gz ZAMMUEAHEKTOEN-CABCVRRESA-N 1 0 336.388 2.815 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451358113 477972123 /nfs/dbraw/zinc/97/21/23/477972123.db2.gz BDELWOWZLFMWLM-QZNHQWIBSA-N 1 0 341.411 2.986 10 5 EFBERO CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000456553582 477979948 /nfs/dbraw/zinc/97/99/48/477979948.db2.gz NTLOOOUXCYTTIH-CYBMUJFWSA-N 1 0 335.404 2.550 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(CO)C3)s2)cc1 ZINC000459664334 478029428 /nfs/dbraw/zinc/02/94/28/478029428.db2.gz AYJBHVNKIQYOKR-QGZVFWFLSA-N 1 0 348.424 2.643 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494702686 478049674 /nfs/dbraw/zinc/04/96/74/478049674.db2.gz LEWUEDZZHSXKLI-RISCZKNCSA-N 1 0 349.412 2.615 10 5 EFBERO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000451510440 478059854 /nfs/dbraw/zinc/05/98/54/478059854.db2.gz OMMSXMXJONUNPY-LSDHHAIUSA-N 1 0 330.388 2.627 10 5 EFBERO CC[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000421394615 478070682 /nfs/dbraw/zinc/07/06/82/478070682.db2.gz XTGFMIAAZQTWRZ-XNRPHZJLSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@@H]1CN(CCN(C)c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000487767061 478071182 /nfs/dbraw/zinc/07/11/82/478071182.db2.gz FZMWSSIAQBCEMY-OKILXGFUSA-N 1 0 344.415 2.688 10 5 EFBERO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459751684 478073767 /nfs/dbraw/zinc/07/37/67/478073767.db2.gz BDHRJHPDJKFBAZ-LBPRGKRZSA-N 1 0 345.374 2.896 10 5 EFBERO C[NH+](C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000487936398 478088397 /nfs/dbraw/zinc/08/83/97/478088397.db2.gz WINACKVGQYMVCN-CQSZACIVSA-N 1 0 326.356 2.873 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561029328 478146745 /nfs/dbraw/zinc/14/67/45/478146745.db2.gz DLYGLFNDTCQHSL-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441281247 478204186 /nfs/dbraw/zinc/20/41/86/478204186.db2.gz TWLWQCYEFOSCGR-RBSFLKMASA-N 1 0 347.415 2.670 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCC1CCOCC1)OCCO2 ZINC000590654442 478277994 /nfs/dbraw/zinc/27/79/94/478277994.db2.gz FCEPZVCRVUYVOC-UHFFFAOYSA-N 1 0 336.388 2.662 10 5 EFBERO CC[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594229446 478287129 /nfs/dbraw/zinc/28/71/29/478287129.db2.gz CYXKPSSNMLEPDY-MAZHCROVSA-N 1 0 334.420 2.685 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000590808388 478349263 /nfs/dbraw/zinc/34/92/63/478349263.db2.gz OFLCPFWSEZOVRT-CVEARBPZSA-N 1 0 346.431 2.578 10 5 EFBERO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562797075 478353176 /nfs/dbraw/zinc/35/31/76/478353176.db2.gz SHFUHDIQGQDXIB-KRWDZBQOSA-N 1 0 342.399 2.656 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600469415 478383113 /nfs/dbraw/zinc/38/31/13/478383113.db2.gz BABPMEKTOLTMQM-ZDUSSCGKSA-N 1 0 337.807 2.995 10 5 EFBERO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000581618348 478402778 /nfs/dbraw/zinc/40/27/78/478402778.db2.gz ZAADVRPUEAEUHQ-ZDUSSCGKSA-N 1 0 331.397 2.663 10 5 EFBERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594504441 478416426 /nfs/dbraw/zinc/41/64/26/478416426.db2.gz NIBIRDNYQVUVJL-MRXNPFEDSA-N 1 0 346.408 2.775 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506537 478416918 /nfs/dbraw/zinc/41/69/18/478416918.db2.gz BDHMDUXAWQZCBC-HZPDHXFCSA-N 1 0 339.395 2.948 10 5 EFBERO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508242 478417083 /nfs/dbraw/zinc/41/70/83/478417083.db2.gz AETHSSSTJWCZFW-UPJWGTAASA-N 1 0 341.839 2.836 10 5 EFBERO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508240 478417451 /nfs/dbraw/zinc/41/74/51/478417451.db2.gz AETHSSSTJWCZFW-RWMBFGLXSA-N 1 0 341.839 2.836 10 5 EFBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594519589 478425024 /nfs/dbraw/zinc/42/50/24/478425024.db2.gz WRFACCSRBDXBAX-JOCQHMNTSA-N 1 0 336.388 2.802 10 5 EFBERO CC(C)Oc1nc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594577122 478446253 /nfs/dbraw/zinc/44/62/53/478446253.db2.gz NYRNZQLYEWZXKD-UHFFFAOYSA-N 1 0 334.420 2.628 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594596548 478455878 /nfs/dbraw/zinc/45/58/78/478455878.db2.gz AOCVVFYDKBPKJJ-HIFRSBDPSA-N 1 0 333.388 2.810 10 5 EFBERO COc1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000600679802 478467281 /nfs/dbraw/zinc/46/72/81/478467281.db2.gz OTOVTFAEYAFROI-UHFFFAOYSA-N 1 0 329.356 2.698 10 5 EFBERO [NH3+]C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000600711329 478478541 /nfs/dbraw/zinc/47/85/41/478478541.db2.gz SAMHFEKJUKGUPP-GOSISDBHSA-N 1 0 341.411 2.782 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](C4CC[NH2+]CC4)C3)c21 ZINC000594693460 478499924 /nfs/dbraw/zinc/49/99/24/478499924.db2.gz PAFVDBUKRIWWGO-CQSZACIVSA-N 1 0 341.415 2.754 10 5 EFBERO [NH3+]C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(F)(F)F ZINC000600740432 478500116 /nfs/dbraw/zinc/50/01/16/478500116.db2.gz YGPWQYXMKPAYKW-FZMZJTMJSA-N 1 0 347.337 2.575 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000597857317 478543763 /nfs/dbraw/zinc/54/37/63/478543763.db2.gz DDIMQXCVDRQZPY-MRXNPFEDSA-N 1 0 348.447 2.776 10 5 EFBERO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859035 478543907 /nfs/dbraw/zinc/54/39/07/478543907.db2.gz QGAWVKXYLZMEBX-NSHDSACASA-N 1 0 337.445 2.919 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597859266 478545227 /nfs/dbraw/zinc/54/52/27/478545227.db2.gz SMOKNSXWOZYCHV-NSHDSACASA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597859648 478545697 /nfs/dbraw/zinc/54/56/97/478545697.db2.gz WXYWPOYVSAAOQJ-LBPRGKRZSA-N 1 0 342.399 2.746 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571388471 478583331 /nfs/dbraw/zinc/58/33/31/478583331.db2.gz HJFZKCFZIANOMG-CQSZACIVSA-N 1 0 340.221 2.937 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571388469 478583366 /nfs/dbraw/zinc/58/33/66/478583366.db2.gz HJFZKCFZIANOMG-AWEZNQCLSA-N 1 0 340.221 2.937 10 5 EFBERO Cc1c(Br)c(N[C@H]2CC[C@@H](C)[NH2+]C2)ncc1[N+](=O)[O-] ZINC000600954431 478583771 /nfs/dbraw/zinc/58/37/71/478583771.db2.gz BPURRXUIXZWLOO-APPZFPTMSA-N 1 0 329.198 2.613 10 5 EFBERO Cc1c(Br)c(N[C@@H]2CC[C@@H](C)[NH2+]C2)ncc1[N+](=O)[O-] ZINC000600954434 478584050 /nfs/dbraw/zinc/58/40/50/478584050.db2.gz BPURRXUIXZWLOO-VXNVDRBHSA-N 1 0 329.198 2.613 10 5 EFBERO CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000597947170 478590904 /nfs/dbraw/zinc/59/09/04/478590904.db2.gz UQYNJUACXPDSGZ-JSGCOSHPSA-N 1 0 337.445 2.628 10 5 EFBERO COC[C@H](CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000594955339 478602130 /nfs/dbraw/zinc/60/21/30/478602130.db2.gz NEUMHLLMORRDCZ-AWEZNQCLSA-N 1 0 334.372 2.996 10 5 EFBERO COC[C@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000594954957 478602435 /nfs/dbraw/zinc/60/24/35/478602435.db2.gz IOFWCYMCDBOXFX-INIZCTEOSA-N 1 0 334.372 2.996 10 5 EFBERO CC[C@@H](COCC1CC1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594958078 478604600 /nfs/dbraw/zinc/60/46/00/478604600.db2.gz YNXBLWXZZAZDMF-AWEZNQCLSA-N 1 0 336.388 2.661 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000594958059 478605042 /nfs/dbraw/zinc/60/50/42/478605042.db2.gz XZBMMHZLFNBLKK-INIZCTEOSA-N 1 0 325.368 2.581 10 5 EFBERO COC1CC(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000594959326 478606294 /nfs/dbraw/zinc/60/62/94/478606294.db2.gz BXGOIURJTLVVJB-UHFFFAOYSA-N 1 0 344.415 2.900 10 5 EFBERO C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C[NH+]1CCCC1 ZINC000601004175 478609412 /nfs/dbraw/zinc/60/94/12/478609412.db2.gz RQXDVORKBHWVRP-HNNXBMFYSA-N 1 0 345.443 2.865 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594978582 478616270 /nfs/dbraw/zinc/61/62/70/478616270.db2.gz FRLBEGQVDNJSOC-JKSUJKDBSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979995 478617690 /nfs/dbraw/zinc/61/76/90/478617690.db2.gz OJOVFQKUYFFCLV-CXAGYDPISA-N 1 0 332.379 2.968 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601021164 478618236 /nfs/dbraw/zinc/61/82/36/478618236.db2.gz SMPWCNVYCBEDQZ-HNNXBMFYSA-N 1 0 345.443 2.865 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000594988293 478619376 /nfs/dbraw/zinc/61/93/76/478619376.db2.gz PABNZZJUQKQBCN-STQMWFEESA-N 1 0 328.315 2.589 10 5 EFBERO COC[C@H](CC1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000595011656 478628094 /nfs/dbraw/zinc/62/80/94/478628094.db2.gz KLRQURDBKHOURS-HNNXBMFYSA-N 1 0 338.404 2.525 10 5 EFBERO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000598040684 478629129 /nfs/dbraw/zinc/62/91/29/478629129.db2.gz QIWGGBPDUYSRRD-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595017341 478629860 /nfs/dbraw/zinc/62/98/60/478629860.db2.gz UBXQKUYCMSSMQH-HNNXBMFYSA-N 1 0 338.404 2.525 10 5 EFBERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556044 478629978 /nfs/dbraw/zinc/62/99/78/478629978.db2.gz KJADJFQHBJTWQY-GOEBONIOSA-N 1 0 331.416 2.643 10 5 EFBERO CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598043782 478630634 /nfs/dbraw/zinc/63/06/34/478630634.db2.gz UZYVWCAQMJUSPL-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](CC)C1 ZINC000598044163 478630787 /nfs/dbraw/zinc/63/07/87/478630787.db2.gz YVIREOPUTDZZGE-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000582585117 478635175 /nfs/dbraw/zinc/63/51/75/478635175.db2.gz CTAITBNREMAQBJ-UONOGXRCSA-N 1 0 349.434 2.894 10 5 EFBERO COC1CC(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595047851 478640312 /nfs/dbraw/zinc/64/03/12/478640312.db2.gz GFNOBASHIMUBTI-VEAWUBTESA-N 1 0 335.404 2.717 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCn4nccc43)c2c1 ZINC000595052209 478641713 /nfs/dbraw/zinc/64/17/13/478641713.db2.gz RFKUKFPABVFLQT-MRXNPFEDSA-N 1 0 325.372 2.940 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000595054240 478642875 /nfs/dbraw/zinc/64/28/75/478642875.db2.gz OIGKJHGUHUBZJU-BBRMVZONSA-N 1 0 348.447 2.774 10 5 EFBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000582625042 478644914 /nfs/dbraw/zinc/64/49/14/478644914.db2.gz IFCROIQTERKSNG-HNNXBMFYSA-N 1 0 349.431 2.615 10 5 EFBERO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595060246 478645423 /nfs/dbraw/zinc/64/54/23/478645423.db2.gz LHPCIYBHBZWMOY-XYJFISCASA-N 1 0 334.416 2.557 10 5 EFBERO CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595059917 478645541 /nfs/dbraw/zinc/64/55/41/478645541.db2.gz IPIQMOPHHMIOAU-HNNXBMFYSA-N 1 0 340.445 2.850 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000595060249 478645603 /nfs/dbraw/zinc/64/56/03/478645603.db2.gz LMGBCMASPGYPPL-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000595058969 478645663 /nfs/dbraw/zinc/64/56/63/478645663.db2.gz DNQBWXZJTDVVLH-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO CO[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595059014 478645692 /nfs/dbraw/zinc/64/56/92/478645692.db2.gz FHGHURQXRGHKPN-AFAVFJNCSA-N 1 0 334.416 2.958 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000595079279 478653325 /nfs/dbraw/zinc/65/33/25/478653325.db2.gz JNKFFKLWNFEUGV-DVOMOZLQSA-N 1 0 335.404 2.859 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000601100536 478655970 /nfs/dbraw/zinc/65/59/70/478655970.db2.gz TXEKLNFBUDRANA-QMMMGPOBSA-N 1 0 347.297 2.655 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000601101278 478656590 /nfs/dbraw/zinc/65/65/90/478656590.db2.gz JYTGEUXPFOPHBN-UHFFFAOYSA-N 1 0 348.353 2.980 10 5 EFBERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595096906 478658270 /nfs/dbraw/zinc/65/82/70/478658270.db2.gz OGCYFGWRIVVPER-BMGDILEWSA-N 1 0 345.443 2.889 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104756 478658712 /nfs/dbraw/zinc/65/87/12/478658712.db2.gz FZZUHYHZWRIZKX-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC1(C)C ZINC000595105366 478662850 /nfs/dbraw/zinc/66/28/50/478662850.db2.gz FLEUYUSIBNJHGT-CHWSQXEVSA-N 1 0 335.404 2.717 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000595105281 478662881 /nfs/dbraw/zinc/66/28/81/478662881.db2.gz SIFXMJOJWXHSAD-LBPRGKRZSA-N 1 0 326.418 2.521 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601119818 478667418 /nfs/dbraw/zinc/66/74/18/478667418.db2.gz WSLJQEFEVXAIJK-NXEZZACHSA-N 1 0 349.357 2.514 10 5 EFBERO CC(C)C[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601129319 478674667 /nfs/dbraw/zinc/67/46/67/478674667.db2.gz QDHYQGGQNOSUKD-JTQLQIEISA-N 1 0 349.357 2.737 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894812 478680783 /nfs/dbraw/zinc/68/07/83/478680783.db2.gz BXHMSZCDSMJQSW-SWLSCSKDSA-N 1 0 343.383 2.945 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)F)o2)c1 ZINC000601147870 478687485 /nfs/dbraw/zinc/68/74/85/478687485.db2.gz YSSUHUNGXUKBEZ-ZDUSSCGKSA-N 1 0 326.299 2.961 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595221122 478693356 /nfs/dbraw/zinc/69/33/56/478693356.db2.gz MGNJEAHRNHBTKE-SJLPKXTDSA-N 1 0 339.395 2.860 10 5 EFBERO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601153561 478693282 /nfs/dbraw/zinc/69/32/82/478693282.db2.gz QFZFMIAYEWPCFS-GOSISDBHSA-N 1 0 348.374 2.826 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595225251 478693490 /nfs/dbraw/zinc/69/34/90/478693490.db2.gz LBIGKDTZYVRUMV-YOEHRIQHSA-N 1 0 331.416 2.898 10 5 EFBERO COc1cc(C[NH2+]Cc2cccc3c2CCOC3)c([N+](=O)[O-])cc1O ZINC000601155716 478694700 /nfs/dbraw/zinc/69/47/00/478694700.db2.gz LXLSWXMHRHIHSO-UHFFFAOYSA-N 1 0 344.367 2.672 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226132 478694827 /nfs/dbraw/zinc/69/48/27/478694827.db2.gz QDSYOVYZKTVPFM-YOEHRIQHSA-N 1 0 331.416 2.898 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595232956 478696144 /nfs/dbraw/zinc/69/61/44/478696144.db2.gz FXMWEYQFJTXFDK-IAGOWNOFSA-N 1 0 340.383 2.862 10 5 EFBERO O=C(CC[NH2+]CCC[C@H]1CCCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000582846018 478702324 /nfs/dbraw/zinc/70/23/24/478702324.db2.gz UJQVGIAYJOAQKU-RHSMWYFYSA-N 1 0 349.431 2.844 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595263646 478706740 /nfs/dbraw/zinc/70/67/40/478706740.db2.gz IQQCDQWKRYFGFX-INIZCTEOSA-N 1 0 346.431 2.516 10 5 EFBERO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000595269700 478708226 /nfs/dbraw/zinc/70/82/26/478708226.db2.gz QOBYBZDEDNXGKF-IAGOWNOFSA-N 1 0 339.395 2.779 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595275562 478710303 /nfs/dbraw/zinc/71/03/03/478710303.db2.gz OFIHGXBGGWYKQX-OAHLLOKOSA-N 1 0 334.420 2.642 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000601191677 478715942 /nfs/dbraw/zinc/71/59/42/478715942.db2.gz PKHCICDLLSILMT-QMMMGPOBSA-N 1 0 335.330 2.632 10 5 EFBERO Cc1cc(NCC2(O)Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543051114 478716181 /nfs/dbraw/zinc/71/61/81/478716181.db2.gz NLEMHIMPCPQZNM-UHFFFAOYSA-N 1 0 349.390 2.815 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601191615 478716396 /nfs/dbraw/zinc/71/63/96/478716396.db2.gz OBAHXJTWSPOOLJ-MRVPVSSYSA-N 1 0 335.330 2.632 10 5 EFBERO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938851 478721000 /nfs/dbraw/zinc/72/10/00/478721000.db2.gz ZCHMFEAXGPUOGA-VQCLRJIVSA-N 1 0 333.432 2.935 10 5 EFBERO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938850 478721651 /nfs/dbraw/zinc/72/16/51/478721651.db2.gz ZCHMFEAXGPUOGA-HLIUYOAVSA-N 1 0 333.432 2.935 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000595331523 478734799 /nfs/dbraw/zinc/73/47/99/478734799.db2.gz WHOOUEFVGXGOPJ-OAHLLOKOSA-N 1 0 342.342 2.862 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@@H](C)C1 ZINC000564469340 478747856 /nfs/dbraw/zinc/74/78/56/478747856.db2.gz CZEAGSGRXMZDQF-UONOGXRCSA-N 1 0 336.436 2.944 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000601299037 478773263 /nfs/dbraw/zinc/77/32/63/478773263.db2.gz MJQSEPDKZPCLQX-NJZAAPMLSA-N 1 0 328.359 2.912 10 5 EFBERO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC=CC1 ZINC000592178020 478813022 /nfs/dbraw/zinc/81/30/22/478813022.db2.gz UOPRWAPADNLNSA-QGZVFWFLSA-N 1 0 344.415 2.914 10 5 EFBERO Cc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCC2)cc1 ZINC000592187181 478818897 /nfs/dbraw/zinc/81/88/97/478818897.db2.gz HYAKRQZMBNBASR-UHFFFAOYSA-N 1 0 327.384 2.734 10 5 EFBERO CC(C)C[NH2+]C1(CO)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595512555 478829049 /nfs/dbraw/zinc/82/90/49/478829049.db2.gz TUSWJMBFLYDAND-HNNXBMFYSA-N 1 0 335.448 2.728 10 5 EFBERO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1=CC[N@H+](C)CC1 ZINC000601421978 478828958 /nfs/dbraw/zinc/82/89/58/478828958.db2.gz NNVVHEHBGOZEFZ-AWEZNQCLSA-N 1 0 343.427 2.783 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598464846 478836413 /nfs/dbraw/zinc/83/64/13/478836413.db2.gz JQOIEDCQQHEBOY-UHFFFAOYSA-N 1 0 343.374 2.652 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598466731 478837481 /nfs/dbraw/zinc/83/74/81/478837481.db2.gz YQHPJHRLKDGEAS-UHFFFAOYSA-N 1 0 325.384 2.513 10 5 EFBERO CN(CC[N@H+](C)C1CC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601457169 478842409 /nfs/dbraw/zinc/84/24/09/478842409.db2.gz LLJDEYRFJDWXLX-UHFFFAOYSA-N 1 0 331.416 2.569 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C3CCCC3)CC1)CCCC2 ZINC000564892689 478850413 /nfs/dbraw/zinc/85/04/13/478850413.db2.gz MXAWWZOZYCOAOD-UHFFFAOYSA-N 1 0 330.432 2.933 10 5 EFBERO C[NH+](C)C1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601513969 478860275 /nfs/dbraw/zinc/86/02/75/478860275.db2.gz HQVWTNWQIRJBFZ-UHFFFAOYSA-N 1 0 331.416 2.617 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592374783 478871358 /nfs/dbraw/zinc/87/13/58/478871358.db2.gz IXMXXYTWGAWWID-MXHVWWQHSA-N 1 0 334.416 2.765 10 5 EFBERO O=C(NCC12CCC[NH+]1CCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601540827 478872208 /nfs/dbraw/zinc/87/22/08/478872208.db2.gz LDVISJOPTHSLOB-UHFFFAOYSA-N 1 0 343.427 2.761 10 5 EFBERO O=C(C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000505563921 478874801 /nfs/dbraw/zinc/87/48/01/478874801.db2.gz JWASWAUCHHPPDO-UHFFFAOYSA-N 1 0 335.379 2.568 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601560985 478879221 /nfs/dbraw/zinc/87/92/21/478879221.db2.gz ZOQXDEGYRUUTAQ-SMDDNHRTSA-N 1 0 329.356 2.555 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601560487 478879398 /nfs/dbraw/zinc/87/93/98/478879398.db2.gz XTQREWAKISUDCP-CHWSQXEVSA-N 1 0 335.429 2.531 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ncn(C)n1 ZINC000592394674 478881902 /nfs/dbraw/zinc/88/19/02/478881902.db2.gz QQGOIZKBBMXKCM-CYBMUJFWSA-N 1 0 349.460 2.816 10 5 EFBERO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425444 478890497 /nfs/dbraw/zinc/89/04/97/478890497.db2.gz COKDTSYRGSVRDA-ZFWWWQNUSA-N 1 0 349.431 2.576 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425511 478892583 /nfs/dbraw/zinc/89/25/83/478892583.db2.gz HMIDEHFMJHXRMR-RHSMWYFYSA-N 1 0 333.432 2.958 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH2+]C[C@@H]3C(F)F)o2)c1 ZINC000592434500 478894122 /nfs/dbraw/zinc/89/41/22/478894122.db2.gz JERHTSGUGBSDBY-CQSZACIVSA-N 1 0 337.326 2.894 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625444 478897252 /nfs/dbraw/zinc/89/72/52/478897252.db2.gz MTVRECJAZWHXGP-SFHVURJKSA-N 1 0 347.415 2.733 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595630942 478900791 /nfs/dbraw/zinc/90/07/91/478900791.db2.gz DHLYRRCTGQLXDK-SIVJFFJCSA-N 1 0 344.358 2.529 10 5 EFBERO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000595636381 478907049 /nfs/dbraw/zinc/90/70/49/478907049.db2.gz XXTMDTWSIILRPI-UHFFFAOYSA-N 1 0 341.411 2.592 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687837 478936977 /nfs/dbraw/zinc/93/69/77/478936977.db2.gz CRCAUVJJVYMUPB-HDICACEKSA-N 1 0 347.415 2.590 10 5 EFBERO Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000592566992 478943133 /nfs/dbraw/zinc/94/31/33/478943133.db2.gz INYIJTAWHJDVTD-QGZVFWFLSA-N 1 0 325.368 2.602 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569902 478943823 /nfs/dbraw/zinc/94/38/23/478943823.db2.gz GQUSJWMFGCWRGX-CQSZACIVSA-N 1 0 337.807 2.582 10 5 EFBERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592569648 478944903 /nfs/dbraw/zinc/94/49/03/478944903.db2.gz AAPWYIHZUJGJOS-OAHLLOKOSA-N 1 0 329.356 2.746 10 5 EFBERO O=C(C[N@@H+]1CCC[C@H](CCF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595755065 478978374 /nfs/dbraw/zinc/97/83/74/478978374.db2.gz FQABIVOWEQNGPT-CYBMUJFWSA-N 1 0 335.379 2.556 10 5 EFBERO C[C@@]12COC[C@H]1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595760221 478979924 /nfs/dbraw/zinc/97/99/24/478979924.db2.gz SLMZKXGURFZTBE-CXAGYDPISA-N 1 0 329.356 2.718 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595761488 478981912 /nfs/dbraw/zinc/98/19/12/478981912.db2.gz XABNGNACGREXBQ-ZUCKAHLUSA-N 1 0 344.371 2.674 10 5 EFBERO O=C(N[C@H]1CCN(C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000573067148 478982565 /nfs/dbraw/zinc/98/25/65/478982565.db2.gz COACEJDLSORLAR-ZDUSSCGKSA-N 1 0 347.418 2.648 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000595767791 478986245 /nfs/dbraw/zinc/98/62/45/478986245.db2.gz CTXYSXBNTRMCSO-JKSUJKDBSA-N 1 0 344.415 2.838 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770887 478986934 /nfs/dbraw/zinc/98/69/34/478986934.db2.gz OHDVUUVXUOSMGF-PBHICJAKSA-N 1 0 344.415 2.838 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770891 478987164 /nfs/dbraw/zinc/98/71/64/478987164.db2.gz OHDVUUVXUOSMGF-YOEHRIQHSA-N 1 0 344.415 2.838 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770889 478988226 /nfs/dbraw/zinc/98/82/26/478988226.db2.gz OHDVUUVXUOSMGF-RHSMWYFYSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000595771402 478989032 /nfs/dbraw/zinc/98/90/32/478989032.db2.gz PAIJINMAIFTWDO-YJBOKZPZSA-N 1 0 344.415 2.708 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000595773977 478989984 /nfs/dbraw/zinc/98/99/84/478989984.db2.gz YQUXBTMFFIZQIV-HZPDHXFCSA-N 1 0 344.415 2.708 10 5 EFBERO CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[N@H+](C)C1 ZINC000584011241 478993842 /nfs/dbraw/zinc/99/38/42/478993842.db2.gz FQFFADRSXUDDDX-RYUDHWBXSA-N 1 0 347.337 2.769 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3C[C@@H](O)C34CCC4)co2)cc1 ZINC000595783685 478995228 /nfs/dbraw/zinc/99/52/28/478995228.db2.gz SXEXKIUORKNEQO-LSDHHAIUSA-N 1 0 329.356 2.643 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3C[C@H](O)C34CCC4)co2)cc1 ZINC000595783683 478995720 /nfs/dbraw/zinc/99/57/20/478995720.db2.gz SXEXKIUORKNEQO-GJZGRUSLSA-N 1 0 329.356 2.643 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601791972 479008135 /nfs/dbraw/zinc/00/81/35/479008135.db2.gz SFWSVNGARVHSJH-UHFFFAOYSA-N 1 0 349.431 2.615 10 5 EFBERO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595805703 479008167 /nfs/dbraw/zinc/00/81/67/479008167.db2.gz BCBQMKOPXNYXGV-CQSZACIVSA-N 1 0 347.415 2.957 10 5 EFBERO COC(=O)[C@H]1C[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595851544 479032353 /nfs/dbraw/zinc/03/23/53/479032353.db2.gz YNARAKYPQBHJDI-JNSHFYNHSA-N 1 0 345.355 2.633 10 5 EFBERO COc1cc(CN(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000565550900 479034425 /nfs/dbraw/zinc/03/44/25/479034425.db2.gz VNLNOOIKEYXLMA-UHFFFAOYSA-N 1 0 344.415 2.562 10 5 EFBERO [NH3+][C@@H]1CCc2ccccc2N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595903740 479061840 /nfs/dbraw/zinc/06/18/40/479061840.db2.gz DDEXWOKGRGEIHH-OAHLLOKOSA-N 1 0 327.384 2.754 10 5 EFBERO COc1ccc(CN2C[C@H]([NH3+])CCc3ccccc32)cc1[N+](=O)[O-] ZINC000595903713 479061950 /nfs/dbraw/zinc/06/19/50/479061950.db2.gz BJUQTSXRGUIZNQ-OAHLLOKOSA-N 1 0 327.384 2.884 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595906267 479063395 /nfs/dbraw/zinc/06/33/95/479063395.db2.gz INTPSZODXHUFIU-OAHLLOKOSA-N 1 0 341.839 2.791 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595908143 479064064 /nfs/dbraw/zinc/06/40/64/479064064.db2.gz YZNCNJVQPDTUSR-OAHLLOKOSA-N 1 0 341.839 2.791 10 5 EFBERO C[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595920270 479074559 /nfs/dbraw/zinc/07/45/59/479074559.db2.gz PUMQGDLWMAEIJO-LLVKDONJSA-N 1 0 344.371 2.541 10 5 EFBERO Cc1cccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595932577 479076765 /nfs/dbraw/zinc/07/67/65/479076765.db2.gz AHVLCJNJGHYMPK-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935362 479078900 /nfs/dbraw/zinc/07/89/00/479078900.db2.gz RXJYDCSLQSRMLN-CYBMUJFWSA-N 1 0 335.379 2.586 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935380 479079626 /nfs/dbraw/zinc/07/96/26/479079626.db2.gz SAJZANRRERGFSB-CYBMUJFWSA-N 1 0 335.379 2.586 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595947030 479080411 /nfs/dbraw/zinc/08/04/11/479080411.db2.gz GLUFUCONGUWDSQ-CYBMUJFWSA-N 1 0 348.428 2.822 10 5 EFBERO COCC1(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584290985 479081403 /nfs/dbraw/zinc/08/14/03/479081403.db2.gz SOQPPSBXRCCQML-UHFFFAOYSA-N 1 0 344.415 2.902 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000598915120 479084925 /nfs/dbraw/zinc/08/49/25/479084925.db2.gz IFAOLHQHCVRNKD-PHIMTYICSA-N 1 0 338.795 2.712 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000601964902 479099878 /nfs/dbraw/zinc/09/98/78/479099878.db2.gz RUPNSHIHZFOINT-HNNXBMFYSA-N 1 0 348.424 2.571 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCCCN(C)C1=O ZINC000601968716 479101613 /nfs/dbraw/zinc/10/16/13/479101613.db2.gz GKXBORCTZPQHLM-MRXNPFEDSA-N 1 0 349.431 2.825 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601973075 479102481 /nfs/dbraw/zinc/10/24/81/479102481.db2.gz HBLRHBSHEUBIDV-OAHLLOKOSA-N 1 0 345.443 2.911 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000601975091 479105112 /nfs/dbraw/zinc/10/51/12/479105112.db2.gz LIAVTPMWMXAFGA-GFCCVEGCSA-N 1 0 325.796 2.756 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596049275 479107441 /nfs/dbraw/zinc/10/74/41/479107441.db2.gz IIZGTQUCCHIQIH-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000592953203 479107952 /nfs/dbraw/zinc/10/79/52/479107952.db2.gz RYZCVTGQBMQKLX-CQSZACIVSA-N 1 0 335.429 2.721 10 5 EFBERO O=c1[nH]ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596062479 479115702 /nfs/dbraw/zinc/11/57/02/479115702.db2.gz PWZIETYFPDZYRG-UHFFFAOYSA-N 1 0 328.372 2.903 10 5 EFBERO CCc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000592997452 479119069 /nfs/dbraw/zinc/11/90/69/479119069.db2.gz BJJPAIFFNJELME-QGZVFWFLSA-N 1 0 330.384 2.687 10 5 EFBERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000599003436 479122164 /nfs/dbraw/zinc/12/21/64/479122164.db2.gz LGMBLVUIZORDLD-HAQNSBGRSA-N 1 0 331.397 2.677 10 5 EFBERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599004661 479123548 /nfs/dbraw/zinc/12/35/48/479123548.db2.gz WLAXKOFHHHWDQT-CYBMUJFWSA-N 1 0 347.440 2.744 10 5 EFBERO CC[NH+]1CCN([C@@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019876 479128505 /nfs/dbraw/zinc/12/85/05/479128505.db2.gz NSUDMXUTBKOJOM-AWEZNQCLSA-N 1 0 343.431 2.581 10 5 EFBERO COc1cc(NCCC[NH+]2CCC(O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596085098 479129518 /nfs/dbraw/zinc/12/95/18/479129518.db2.gz IPMKOMLYTXUWBY-UHFFFAOYSA-N 1 0 343.811 2.516 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000596087814 479130142 /nfs/dbraw/zinc/13/01/42/479130142.db2.gz JABNHJDMKIJZMI-UHFFFAOYSA-N 1 0 327.768 2.541 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]([C@@H](C)CO)C2CCCC2)c1 ZINC000593025397 479130611 /nfs/dbraw/zinc/13/06/11/479130611.db2.gz RYPDPNUFKPURPV-LBPRGKRZSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1c(Cl)c(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596104506 479140815 /nfs/dbraw/zinc/14/08/15/479140815.db2.gz CCQKYIXELIKYJY-UHFFFAOYSA-N 1 0 341.795 2.789 10 5 EFBERO COc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106030 479142306 /nfs/dbraw/zinc/14/23/06/479142306.db2.gz SCNQVPABYMBQEF-LLVKDONJSA-N 1 0 325.796 2.931 10 5 EFBERO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C1CC1 ZINC000596109238 479143532 /nfs/dbraw/zinc/14/35/32/479143532.db2.gz MPZZFOTUZXWKJG-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596120491 479150269 /nfs/dbraw/zinc/15/02/69/479150269.db2.gz RHCOXAGBFLBMQT-UHFFFAOYSA-N 1 0 341.795 2.567 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCN2C2CCCC2)n1 ZINC000599074467 479150303 /nfs/dbraw/zinc/15/03/03/479150303.db2.gz RQWSEMYLJQOAHM-BRWVUGGUSA-N 1 0 347.463 2.882 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCN2C2CCCC2)n1 ZINC000599074474 479151468 /nfs/dbraw/zinc/15/14/68/479151468.db2.gz RQWSEMYLJQOAHM-YESZJQIVSA-N 1 0 347.463 2.882 10 5 EFBERO Cn1c2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2oc1=O ZINC000599081423 479153491 /nfs/dbraw/zinc/15/34/91/479153491.db2.gz KOZDTNKAEXWMGB-AWEZNQCLSA-N 1 0 339.351 2.817 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599088780 479156619 /nfs/dbraw/zinc/15/66/19/479156619.db2.gz OAEZWNNXXSTPCB-ZDUSSCGKSA-N 1 0 349.431 2.903 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599093704 479159938 /nfs/dbraw/zinc/15/99/38/479159938.db2.gz QDVQNHQDBRUPQK-SWLSCSKDSA-N 1 0 347.415 2.798 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593092353 479168863 /nfs/dbraw/zinc/16/88/63/479168863.db2.gz NGLMQFVFBBPONM-AWEZNQCLSA-N 1 0 347.415 2.875 10 5 EFBERO NC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599126392 479170318 /nfs/dbraw/zinc/17/03/18/479170318.db2.gz GDPYRHCVOGKKSK-AWEZNQCLSA-N 1 0 332.404 2.513 10 5 EFBERO NC(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599126394 479170370 /nfs/dbraw/zinc/17/03/70/479170370.db2.gz GDPYRHCVOGKKSK-CQSZACIVSA-N 1 0 332.404 2.513 10 5 EFBERO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593096435 479173234 /nfs/dbraw/zinc/17/32/34/479173234.db2.gz SNKDESFBKWZLHW-ZDUSSCGKSA-N 1 0 339.395 2.856 10 5 EFBERO CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596167399 479175335 /nfs/dbraw/zinc/17/53/35/479175335.db2.gz GNZCWGJLDZNATR-XJKSGUPXSA-N 1 0 334.420 2.782 10 5 EFBERO COc1ccc(CN2CC[C@@H]2CNc2cccnc2[N+](=O)[O-])cc1 ZINC000599139333 479177792 /nfs/dbraw/zinc/17/77/92/479177792.db2.gz KICCOYDUEZYDSA-CQSZACIVSA-N 1 0 328.372 2.685 10 5 EFBERO COC(=O)c1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000610769824 479182716 /nfs/dbraw/zinc/18/27/16/479182716.db2.gz MSVMUISVARDWIF-CYBMUJFWSA-N 1 0 335.404 2.657 10 5 EFBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccc(F)cc21 ZINC000593116400 479183253 /nfs/dbraw/zinc/18/32/53/479183253.db2.gz LVRGTLUXBJPODP-CYBMUJFWSA-N 1 0 345.374 2.557 10 5 EFBERO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccc(F)cc21 ZINC000593116401 479183612 /nfs/dbraw/zinc/18/36/12/479183612.db2.gz LVRGTLUXBJPODP-ZDUSSCGKSA-N 1 0 345.374 2.557 10 5 EFBERO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2N1 ZINC000599165255 479189724 /nfs/dbraw/zinc/18/97/24/479189724.db2.gz PEJWIAGOTWXYPX-AWEZNQCLSA-N 1 0 344.415 2.908 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599187306 479201540 /nfs/dbraw/zinc/20/15/40/479201540.db2.gz QXKLUYXOZINXDW-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000599188662 479202919 /nfs/dbraw/zinc/20/29/19/479202919.db2.gz VNWHQYIORDXKQB-UHFFFAOYSA-N 1 0 325.434 2.738 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596219832 479206929 /nfs/dbraw/zinc/20/69/29/479206929.db2.gz XCZORITYLADUNO-NSHDSACASA-N 1 0 345.827 2.762 10 5 EFBERO O=c1[nH]ccc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000596225954 479209324 /nfs/dbraw/zinc/20/93/24/479209324.db2.gz HMQYMMRQNDFCRT-GFCCVEGCSA-N 1 0 343.387 2.612 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602172095 479215692 /nfs/dbraw/zinc/21/56/92/479215692.db2.gz NDGGGHNBHNWYBO-QWHCGFSZSA-N 1 0 337.445 2.775 10 5 EFBERO Cn1nc2c(c1C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000569988261 479222736 /nfs/dbraw/zinc/22/27/36/479222736.db2.gz MTYZDQUHMQJWTM-OAHLLOKOSA-N 1 0 326.400 2.984 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000593203891 479237819 /nfs/dbraw/zinc/23/78/19/479237819.db2.gz KKJOFQAYVYUBOJ-UHFFFAOYSA-N 1 0 346.431 2.644 10 5 EFBERO C[C@@H]1CCC[C@H](C)N1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574191854 479237991 /nfs/dbraw/zinc/23/79/91/479237991.db2.gz KBWNNFFMUKGBPI-GASCZTMLSA-N 1 0 348.447 2.776 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593203790 479238184 /nfs/dbraw/zinc/23/81/84/479238184.db2.gz HOLMJWKSUCNEEL-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557004488 479247229 /nfs/dbraw/zinc/24/72/29/479247229.db2.gz ZCGHBDSNTMKICN-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO COC(=O)c1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)cc(C)c1[N+](=O)[O-] ZINC000596309360 479248614 /nfs/dbraw/zinc/24/86/14/479248614.db2.gz ZKORQDOHQKXOLT-CYBMUJFWSA-N 1 0 335.404 2.975 10 5 EFBERO O=[N+]([O-])c1sccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315543 479250305 /nfs/dbraw/zinc/25/03/05/479250305.db2.gz XHDXLNABGAVGBH-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000596315185 479250897 /nfs/dbraw/zinc/25/08/97/479250897.db2.gz XEAADSFRHHKHCZ-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000596364588 479267214 /nfs/dbraw/zinc/26/72/14/479267214.db2.gz PCLZPRSDLSPUCB-NSHDSACASA-N 1 0 330.379 2.557 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142392 479272028 /nfs/dbraw/zinc/27/20/28/479272028.db2.gz KHZURIXRTPIVQT-TXEJJXNPSA-N 1 0 337.445 2.871 10 5 EFBERO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000599387812 479279679 /nfs/dbraw/zinc/27/96/79/479279679.db2.gz SNXXZHMLPWIQCQ-MRXNPFEDSA-N 1 0 348.378 2.955 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596423631 479289264 /nfs/dbraw/zinc/28/92/64/479289264.db2.gz MZELQWBVSGYAIM-INIZCTEOSA-N 1 0 345.374 2.913 10 5 EFBERO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000596453731 479300937 /nfs/dbraw/zinc/30/09/37/479300937.db2.gz MOCFYWLMRSSMSR-UHFFFAOYSA-N 1 0 342.399 2.567 10 5 EFBERO Cc1c(CNC(=O)NCCC[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000593398067 479325812 /nfs/dbraw/zinc/32/58/12/479325812.db2.gz RKJNWATYAWHQKF-UHFFFAOYSA-N 1 0 336.436 2.680 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553525 479331133 /nfs/dbraw/zinc/33/11/33/479331133.db2.gz YBPAVUXGXOTFOL-GLQYFDAESA-N 1 0 335.429 2.892 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000596543274 479334035 /nfs/dbraw/zinc/33/40/35/479334035.db2.gz QJOTZSIVGHIFPH-UHFFFAOYSA-N 1 0 338.408 2.699 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000596567107 479342840 /nfs/dbraw/zinc/34/28/40/479342840.db2.gz OTRIRLRDNURPNZ-HNNXBMFYSA-N 1 0 344.415 2.690 10 5 EFBERO CC1(C)CCC[C@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599594935 479346294 /nfs/dbraw/zinc/34/62/94/479346294.db2.gz NNHJVOBWLMZDLL-SFHVURJKSA-N 1 0 349.431 2.844 10 5 EFBERO COCC[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457700 479349307 /nfs/dbraw/zinc/34/93/07/479349307.db2.gz LYAOAKRNVMPVKY-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO COC1CC[NH+](CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593464377 479353166 /nfs/dbraw/zinc/35/31/66/479353166.db2.gz BYQHEGQCXYLIBN-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO C[NH+](C)C1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593468195 479355850 /nfs/dbraw/zinc/35/58/50/479355850.db2.gz OBVHFEWDKRSKDC-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625400 479356922 /nfs/dbraw/zinc/35/69/22/479356922.db2.gz JRXCEMZELMOCEZ-MRHIQRDNSA-N 1 0 335.404 2.633 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626950 479358021 /nfs/dbraw/zinc/35/80/21/479358021.db2.gz SUVYESQDXAOUFK-AMDHYVTDSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625638 479358660 /nfs/dbraw/zinc/35/86/60/479358660.db2.gz NXLMRLFGKJBKAP-DRNSDYETSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625561 479358940 /nfs/dbraw/zinc/35/89/40/479358940.db2.gz NBWCXADTJOELBZ-RSQPEXBXSA-N 1 0 332.360 2.546 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626953 479358960 /nfs/dbraw/zinc/35/89/60/479358960.db2.gz SUVYESQDXAOUFK-VGAUDOQQSA-N 1 0 341.795 2.588 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596627327 479363413 /nfs/dbraw/zinc/36/34/13/479363413.db2.gz YIIOERJLQOHWFP-GFCCVEGCSA-N 1 0 336.392 2.598 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000611402507 479369073 /nfs/dbraw/zinc/36/90/73/479369073.db2.gz QPPMAFKGMCHOPH-GFCCVEGCSA-N 1 0 337.445 2.919 10 5 EFBERO C[N@H+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000587029745 479369891 /nfs/dbraw/zinc/36/98/91/479369891.db2.gz MAQPUDCNBDKMJF-UHFFFAOYSA-N 1 0 344.415 2.603 10 5 EFBERO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000574944445 479376306 /nfs/dbraw/zinc/37/63/06/479376306.db2.gz PFOBGVGIZNOCTR-UHFFFAOYSA-N 1 0 329.360 2.660 10 5 EFBERO O=C(C[N@@H+]1CCCC2(CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599672508 479384562 /nfs/dbraw/zinc/38/45/62/479384562.db2.gz ICROXILKPNCGAL-UHFFFAOYSA-N 1 0 329.400 2.750 10 5 EFBERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000599693723 479394727 /nfs/dbraw/zinc/39/47/27/479394727.db2.gz FYVDRLJCVDEESO-DABQJJPHSA-N 1 0 336.388 2.765 10 5 EFBERO Nc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525086 479405075 /nfs/dbraw/zinc/40/50/75/479405075.db2.gz HZBZNACIXZVVRW-OAHLLOKOSA-N 1 0 346.387 2.511 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599780272 479422885 /nfs/dbraw/zinc/42/28/85/479422885.db2.gz NBVANYZPNCRFKM-CQSZACIVSA-N 1 0 348.403 2.742 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000593717479 479432984 /nfs/dbraw/zinc/43/29/84/479432984.db2.gz ITDBFWALSLUMCI-UHFFFAOYSA-N 1 0 342.399 2.656 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725877 479436195 /nfs/dbraw/zinc/43/61/95/479436195.db2.gz ZXXGADGGUOFSLW-RBUKOAKNSA-N 1 0 342.395 2.815 10 5 EFBERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832456 479444663 /nfs/dbraw/zinc/44/46/63/479444663.db2.gz CHQWZUXWOMYNPL-GFCCVEGCSA-N 1 0 343.387 2.558 10 5 EFBERO C[NH+](C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599836774 479446703 /nfs/dbraw/zinc/44/67/03/479446703.db2.gz YBWURCPENXACSO-UHFFFAOYSA-N 1 0 343.387 2.749 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709100 479452391 /nfs/dbraw/zinc/45/23/91/479452391.db2.gz XMDPDJNRCSJAKZ-CHWSQXEVSA-N 1 0 329.404 2.635 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596843867 479452577 /nfs/dbraw/zinc/45/25/77/479452577.db2.gz LJISHIZQKPMXCU-LBPRGKRZSA-N 1 0 336.392 2.598 10 5 EFBERO CCN1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000618469208 479458668 /nfs/dbraw/zinc/45/86/68/479458668.db2.gz VUHUVMYJFASWMV-LLVKDONJSA-N 1 0 325.796 2.723 10 5 EFBERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599928357 479473500 /nfs/dbraw/zinc/47/35/00/479473500.db2.gz HUVDGUZLDCYQAE-MRXNPFEDSA-N 1 0 344.415 2.553 10 5 EFBERO [NH3+]CC1(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593914418 479507759 /nfs/dbraw/zinc/50/77/59/479507759.db2.gz KOBLEAOGZSEONB-UHFFFAOYSA-N 1 0 343.836 2.586 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502345 479533687 /nfs/dbraw/zinc/53/36/87/479533687.db2.gz VCBDVLPJZFGJDZ-BBRMVZONSA-N 1 0 349.431 2.544 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000589498236 479534124 /nfs/dbraw/zinc/53/41/24/479534124.db2.gz QXPZWDJPHLAZHJ-CYBMUJFWSA-N 1 0 330.340 2.964 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000589506111 479535386 /nfs/dbraw/zinc/53/53/86/479535386.db2.gz VTEOPNJSRJSOEJ-GJZGRUSLSA-N 1 0 348.399 2.630 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502824 479535992 /nfs/dbraw/zinc/53/59/92/479535992.db2.gz BIGZXCFJUCEGMN-AWEZNQCLSA-N 1 0 349.431 2.545 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589506875 479536261 /nfs/dbraw/zinc/53/62/61/479536261.db2.gz YVFMBLVGPBOEFM-RHSMWYFYSA-N 1 0 336.388 2.675 10 5 EFBERO CCCN(CC[NH+]1CCCC1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518142 479537216 /nfs/dbraw/zinc/53/72/16/479537216.db2.gz ABZGJRBXNSYZTQ-UHFFFAOYSA-N 1 0 349.431 2.689 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(OC)CC2)c1 ZINC000589515660 479537516 /nfs/dbraw/zinc/53/75/16/479537516.db2.gz XUCBCNSRWAJCGH-KRWDZBQOSA-N 1 0 336.388 2.772 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000589517765 479537591 /nfs/dbraw/zinc/53/75/91/479537591.db2.gz KMGRPXOJBCEGIR-JKSUJKDBSA-N 1 0 334.372 2.525 10 5 EFBERO C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000589598040 479544517 /nfs/dbraw/zinc/54/45/17/479544517.db2.gz CZRQRAMDNJNZDS-SJKOYZFVSA-N 1 0 344.415 2.773 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092742 479568502 /nfs/dbraw/zinc/56/85/02/479568502.db2.gz RWDCOYXEIPVMGP-SECBINFHSA-N 1 0 343.815 2.681 10 5 EFBERO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094187 479570632 /nfs/dbraw/zinc/57/06/32/479570632.db2.gz BHNRURFJEQMIEA-UHFFFAOYSA-N 1 0 343.815 2.634 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000594105962 479589863 /nfs/dbraw/zinc/58/98/63/479589863.db2.gz KPDBIPXDXRRRNC-GSJFWJNXSA-N 1 0 333.413 2.880 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590052567 479597439 /nfs/dbraw/zinc/59/74/39/479597439.db2.gz DZTNHPSAXPJWKI-RHSMWYFYSA-N 1 0 327.384 2.991 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000597224647 479630960 /nfs/dbraw/zinc/63/09/60/479630960.db2.gz NIIAEJANWYBGAZ-SHRNQRGKSA-N 1 0 346.431 2.686 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590441275 479648295 /nfs/dbraw/zinc/64/82/95/479648295.db2.gz CZHGDNPBHNXKDA-SWLSCSKDSA-N 1 0 349.456 2.871 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000619503670 479813781 /nfs/dbraw/zinc/81/37/81/479813781.db2.gz WRIJZMGYZNTNCN-UHFFFAOYSA-N 1 0 327.388 2.967 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000609766293 480203651 /nfs/dbraw/zinc/20/36/51/480203651.db2.gz HANDRSIJOVCIJP-AWEZNQCLSA-N 1 0 331.372 2.767 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610002478 480226244 /nfs/dbraw/zinc/22/62/44/480226244.db2.gz MQTYGCDJWDZRQL-YJBOKZPZSA-N 1 0 333.432 2.843 10 5 EFBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000614256142 480247539 /nfs/dbraw/zinc/24/75/39/480247539.db2.gz VFFMAFACKRHZOM-MMAALDBVSA-N 1 0 348.399 2.651 10 5 EFBERO CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CC[N@H+](C)C1 ZINC000617552297 480273248 /nfs/dbraw/zinc/27/32/48/480273248.db2.gz LAMYTXWLWXHRRE-OAHLLOKOSA-N 1 0 349.434 2.848 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000610371635 480292911 /nfs/dbraw/zinc/29/29/11/480292911.db2.gz VZICVVGFBCYHTH-HOTGVXAUSA-N 1 0 333.432 2.843 10 5 EFBERO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccncc1 ZINC000610517834 480328390 /nfs/dbraw/zinc/32/83/90/480328390.db2.gz WTCGVFWDWPVSMX-GFCCVEGCSA-N 1 0 329.356 2.654 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610666823 480358981 /nfs/dbraw/zinc/35/89/81/480358981.db2.gz NDYIYDGKTZZRSS-UHFFFAOYSA-N 1 0 337.339 2.747 10 5 EFBERO CC(C)[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[NH2+]1 ZINC000621157730 480365740 /nfs/dbraw/zinc/36/57/40/480365740.db2.gz BDFJUOOGAZGZNH-SFHVURJKSA-N 1 0 349.434 2.751 10 5 EFBERO C[C@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC12CCOCC2 ZINC000618305604 480614577 /nfs/dbraw/zinc/61/45/77/480614577.db2.gz MOZITFXKWXJOPZ-GFCCVEGCSA-N 1 0 330.388 2.862 10 5 EFBERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230088 533790516 /nfs/dbraw/zinc/79/05/16/533790516.db2.gz NESYONRCNIJBOP-WCQYABFASA-N 1 0 325.384 2.657 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000172994514 534316851 /nfs/dbraw/zinc/31/68/51/534316851.db2.gz WINZURIOKVDBCZ-HNNXBMFYSA-N 1 0 331.416 2.994 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117767782 519335336 /nfs/dbraw/zinc/33/53/36/519335336.db2.gz CAMNRFMOBJIKRO-CYBMUJFWSA-N 1 0 341.839 2.883 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119406087 519722669 /nfs/dbraw/zinc/72/26/69/519722669.db2.gz CHIGHUGLIQSORI-CQSZACIVSA-N 1 0 344.415 2.926 10 5 EFBERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153796669 519812194 /nfs/dbraw/zinc/81/21/94/519812194.db2.gz CAFFYQRJOGLLPF-AWEZNQCLSA-N 1 0 333.432 2.968 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000122178923 520280558 /nfs/dbraw/zinc/28/05/58/520280558.db2.gz QRAYJVYIWAQJDI-XJKSGUPXSA-N 1 0 348.447 2.829 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175773268 520826720 /nfs/dbraw/zinc/82/67/20/520826720.db2.gz DXRNMVOISZPMRZ-KBPBESRZSA-N 1 0 336.436 2.994 10 5 EFBERO CCOc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000253385934 520908402 /nfs/dbraw/zinc/90/84/02/520908402.db2.gz UZNLQGHSYPZZCA-UHFFFAOYSA-N 1 0 335.404 2.599 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000356436941 534540909 /nfs/dbraw/zinc/54/09/09/534540909.db2.gz VJLQUQYNYNISFG-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO C[NH2+]C[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])cc1Br ZINC000234394093 522053742 /nfs/dbraw/zinc/05/37/42/522053742.db2.gz CIVUFRUSJRPWQF-JTQLQIEISA-N 1 0 328.210 2.854 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171299 523483401 /nfs/dbraw/zinc/48/34/01/523483401.db2.gz LIQRCVUOPJDIKM-WBVHZDCISA-N 1 0 331.416 2.613 10 5 EFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000178297063 534779464 /nfs/dbraw/zinc/77/94/64/534779464.db2.gz MBNXTYMYNCFPCF-HNNXBMFYSA-N 1 0 330.388 2.643 10 5 EFBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1cccc(F)c1 ZINC000245571877 524506995 /nfs/dbraw/zinc/50/69/95/524506995.db2.gz BXTLMBXDNJNSJL-FZKQIMNGSA-N 1 0 345.374 2.979 10 5 EFBERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157451090 524895727 /nfs/dbraw/zinc/89/57/27/524895727.db2.gz IBPLGWOGCAEQTM-INIZCTEOSA-N 1 0 346.387 2.646 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000363384043 525465429 /nfs/dbraw/zinc/46/54/29/525465429.db2.gz FKQZMMLMPVCPSQ-HNNXBMFYSA-N 1 0 333.388 2.806 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261796470 525558459 /nfs/dbraw/zinc/55/84/59/525558459.db2.gz VCRFBFCSBAOOKF-UHFFFAOYSA-N 1 0 327.384 2.547 10 5 EFBERO CSc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000194507942 525955002 /nfs/dbraw/zinc/95/50/02/525955002.db2.gz NCNVZBLAPCWQGD-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186520775 525989272 /nfs/dbraw/zinc/98/92/72/525989272.db2.gz UBDSXTVPANYRAO-STQMWFEESA-N 1 0 349.456 2.818 10 5 EFBERO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231464320 536463048 /nfs/dbraw/zinc/46/30/48/536463048.db2.gz IJGIAWMHPQSYGT-GFCCVEGCSA-N 1 0 342.237 2.931 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182082251 527314855 /nfs/dbraw/zinc/31/48/55/527314855.db2.gz FIYOFKBPFBYURS-CYBMUJFWSA-N 1 0 342.399 2.549 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152546282 527390666 /nfs/dbraw/zinc/39/06/66/527390666.db2.gz ZAJFJRXOVPREHF-KRWDZBQOSA-N 1 0 329.356 2.522 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152546374 527391090 /nfs/dbraw/zinc/39/10/90/527391090.db2.gz ZAJFJRXOVPREHF-QGZVFWFLSA-N 1 0 329.356 2.522 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153562874 527393470 /nfs/dbraw/zinc/39/34/70/527393470.db2.gz ZCKNWFVGKSWHJX-GOSISDBHSA-N 1 0 334.416 2.767 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153562991 527394132 /nfs/dbraw/zinc/39/41/32/527394132.db2.gz ZCKNWFVGKSWHJX-SFHVURJKSA-N 1 0 334.416 2.767 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225920 527394663 /nfs/dbraw/zinc/39/46/63/527394663.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 1 0 345.443 2.577 10 5 EFBERO Cn1nccc1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195504077 527599767 /nfs/dbraw/zinc/59/97/67/527599767.db2.gz QPHIFWANGNDXBH-UHFFFAOYSA-N 1 0 344.415 2.977 10 5 EFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137049793 527663228 /nfs/dbraw/zinc/66/32/28/527663228.db2.gz WBLDEQAKNZKCRJ-SJORKVTESA-N 1 0 344.415 2.816 10 5 EFBERO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174030424 528165262 /nfs/dbraw/zinc/16/52/62/528165262.db2.gz CMINTNPNCLWBNO-GFCCVEGCSA-N 1 0 325.434 2.997 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154692671 528266571 /nfs/dbraw/zinc/26/65/71/528266571.db2.gz YNQCLXZAUWQXIK-GFCCVEGCSA-N 1 0 330.388 2.603 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000190338637 528335491 /nfs/dbraw/zinc/33/54/91/528335491.db2.gz UKYHCAMQMDTGAN-UHFFFAOYSA-N 1 0 335.385 2.560 10 5 EFBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652404 528476411 /nfs/dbraw/zinc/47/64/11/528476411.db2.gz UDMHYYPGMPVMIH-OCCSQVGLSA-N 1 0 329.404 2.975 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000188154725 528967347 /nfs/dbraw/zinc/96/73/47/528967347.db2.gz IBGPXHQABISUSE-UHFFFAOYSA-N 1 0 349.431 2.764 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000181402332 529304015 /nfs/dbraw/zinc/30/40/15/529304015.db2.gz IFVYJFPAXCMJOH-GXTWGEPZSA-N 1 0 348.403 2.694 10 5 EFBERO CC(C)n1c(Sc2ccncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000360910604 535048463 /nfs/dbraw/zinc/04/84/63/535048463.db2.gz WKRPYIVLCCWYAA-LLVKDONJSA-N 1 0 348.432 2.780 10 5 EFBERO CC[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000356803549 535428029 /nfs/dbraw/zinc/42/80/29/535428029.db2.gz HSBRSSZBEHPLON-NSHDSACASA-N 1 0 330.182 2.636 10 5 EFBERO CC[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425693462 535789355 /nfs/dbraw/zinc/78/93/55/535789355.db2.gz STDBNLRBHJHCTK-USXIJHARSA-N 1 0 346.431 2.782 10 5 EFBERO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000355791734 536770115 /nfs/dbraw/zinc/77/01/15/536770115.db2.gz XOUNYSRWFMPUQR-UPJWGTAASA-N 1 0 335.404 2.908 10 5 EFBERO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345011742 536892099 /nfs/dbraw/zinc/89/20/99/536892099.db2.gz LVFRSQJKLJMDMD-AWEZNQCLSA-N 1 0 344.367 2.923 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CC[NH+](C)CC1 ZINC000675056444 564112113 /nfs/dbraw/zinc/11/21/13/564112113.db2.gz QFXIDMZNQWDTDL-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000754255466 575411321 /nfs/dbraw/zinc/41/13/21/575411321.db2.gz CBLRPHNZUKWQSA-HVJHFUJKSA-N 1 0 329.400 2.693 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000755054840 575535545 /nfs/dbraw/zinc/53/55/45/575535545.db2.gz NMWQENNGDAHOEC-JWZGAQTFSA-N 1 0 329.400 2.741 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755197069 575559453 /nfs/dbraw/zinc/55/94/53/575559453.db2.gz DKHWJPNIRPCCHC-UKYUDJEDSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1ccnc(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000755216283 575561216 /nfs/dbraw/zinc/56/12/16/575561216.db2.gz VVCUBJLQIUGRAK-KRWDZBQOSA-N 1 0 342.399 2.606 10 5 EFBERO CC[NH+]1CCC(N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755230022 575562937 /nfs/dbraw/zinc/56/29/37/575562937.db2.gz AGOMSLNLPNYIIR-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000757795575 575853168 /nfs/dbraw/zinc/85/31/68/575853168.db2.gz RCQGWAFMMOYAKE-VYXDKDMYSA-N 1 0 345.399 2.676 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000757952556 575856656 /nfs/dbraw/zinc/85/66/56/575856656.db2.gz CAPURNRXZNANML-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@H]1c1ccccc1 ZINC000758251263 575864871 /nfs/dbraw/zinc/86/48/71/575864871.db2.gz IPOOSSZYAIVCDG-CXAGYDPISA-N 1 0 339.355 2.988 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294610 576141899 /nfs/dbraw/zinc/14/18/99/576141899.db2.gz YFVNJAZXWGRXRH-XJKSGUPXSA-N 1 0 330.388 2.711 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000762702755 576325898 /nfs/dbraw/zinc/32/58/98/576325898.db2.gz JVXWHOVYIMUCDX-FYWRMAATSA-N 1 0 329.400 2.766 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081863 577004754 /nfs/dbraw/zinc/00/47/54/577004754.db2.gz RDPKSMJUAXHQLV-BBRMVZONSA-N 1 0 330.388 2.711 10 5 EFBERO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849310 577082665 /nfs/dbraw/zinc/08/26/65/577082665.db2.gz OCXUJOZZLLJAQM-CVEARBPZSA-N 1 0 332.404 2.719 10 5 EFBERO C[NH+](C)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768530413 577281066 /nfs/dbraw/zinc/28/10/66/577281066.db2.gz HLFXEBYZBJRXBC-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000769875606 577390471 /nfs/dbraw/zinc/39/04/71/577390471.db2.gz WKIMXINXECXODO-CZUORRHYSA-N 1 0 349.431 2.982 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000771240996 581191937 /nfs/dbraw/zinc/19/19/37/581191937.db2.gz UUGUOICBNJKIPV-CYBMUJFWSA-N 1 0 337.395 2.911 10 5 EFBERO CS[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000772576404 581342434 /nfs/dbraw/zinc/34/24/34/581342434.db2.gz FWLHZXHSWNCMRM-ZIAGYGMSSA-N 1 0 343.399 2.889 10 5 EFBERO CS[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000772576398 581342468 /nfs/dbraw/zinc/34/24/68/581342468.db2.gz FWLHZXHSWNCMRM-KGLIPLIRSA-N 1 0 343.399 2.889 10 5 EFBERO C/C(=C\C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000772889991 581378653 /nfs/dbraw/zinc/37/86/53/581378653.db2.gz PLQSHANVHSTWBU-WYMLVPIESA-N 1 0 343.427 2.989 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001691383905 1248715930 /nfs/dbraw/zinc/71/59/30/1248715930.db2.gz WZQRUYDXYHNYCY-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1oc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001691383911 1248716341 /nfs/dbraw/zinc/71/63/41/1248716341.db2.gz XBBJECYKWQZDJB-UHFFFAOYSA-N 1 0 345.399 2.975 10 5 EFBERO CC(C)c1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001691413150 1248749463 /nfs/dbraw/zinc/74/94/63/1248749463.db2.gz UMXXPQSMRYTSRH-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691489022 1249592220 /nfs/dbraw/zinc/59/22/20/1249592220.db2.gz ODMDCSVWWYOJHL-HAQNSBGRSA-N 1 0 345.321 2.532 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691026006 1247985627 /nfs/dbraw/zinc/98/56/27/1247985627.db2.gz OSERTKQVINQRTA-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO O=C(CCC1CC1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691770798 1248010699 /nfs/dbraw/zinc/01/06/99/1248010699.db2.gz JSBYXHTXYZUVEY-WKILWMFISA-N 1 0 331.416 2.769 10 5 EFBERO CC[N@H+](CCNC(=O)CC(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001691038614 1248036012 /nfs/dbraw/zinc/03/60/12/1248036012.db2.gz KASFOCBZMRXRNN-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC1(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001691104679 1248416097 /nfs/dbraw/zinc/41/60/97/1248416097.db2.gz AIWNRFOCDWPPLR-GASCZTMLSA-N 1 0 331.416 2.769 10 5 EFBERO O=C(C=C1CCC1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001691205175 1248535275 /nfs/dbraw/zinc/53/52/75/1248535275.db2.gz LDJSARWZPPNSAA-UHFFFAOYSA-N 1 0 329.400 2.786 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001691244448 1248567057 /nfs/dbraw/zinc/56/70/57/1248567057.db2.gz MXRZBOVWOCHNCY-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850426014 1250481071 /nfs/dbraw/zinc/48/10/71/1250481071.db2.gz RPCAWZDEMNZTQB-WBMJQRKESA-N 1 0 346.383 2.996 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490543 1250502864 /nfs/dbraw/zinc/50/28/64/1250502864.db2.gz CVSAAGRVHPXVAJ-STFLBKPXSA-N 1 0 338.351 2.865 10 5 EFBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001691608106 1251819062 /nfs/dbraw/zinc/81/90/62/1251819062.db2.gz JRLXGHFZRYXTKZ-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CN1C[C@@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000922489967 1266132821 /nfs/dbraw/zinc/13/28/21/1266132821.db2.gz USTDABNRKQKQLU-ZDUSSCGKSA-N 1 0 343.383 2.813 10 5 EFBERO COc1ccc(C[NH2+][C@@H](CO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000922549180 1266227270 /nfs/dbraw/zinc/22/72/70/1266227270.db2.gz PYZZZBOCQSGEJC-MRXNPFEDSA-N 1 0 330.384 2.687 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000923328624 1261464664 /nfs/dbraw/zinc/46/46/64/1261464664.db2.gz AVPNQZRIRMFLRL-ZDUSSCGKSA-N 1 0 340.221 2.684 10 5 EFBERO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH3+] ZINC000923431563 1261648902 /nfs/dbraw/zinc/64/89/02/1261648902.db2.gz TXKURKSBOPBYIB-LBPRGKRZSA-N 1 0 328.210 2.526 10 5 EFBERO CCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000785457062 1262431135 /nfs/dbraw/zinc/43/11/35/1262431135.db2.gz PKYZUNXBANCFEL-INIZCTEOSA-N 1 0 334.347 2.956 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000820621281 1264797194 /nfs/dbraw/zinc/79/71/94/1264797194.db2.gz NMQXSTJVMRGDJB-ZDUSSCGKSA-N 1 0 349.456 2.772 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)o2)c1 ZINC000922725865 1266664778 /nfs/dbraw/zinc/66/47/78/1266664778.db2.gz QAZQPFWYZUJWNH-QBIMZIAESA-N 1 0 344.367 2.748 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)o2)cc1 ZINC000922726432 1266666595 /nfs/dbraw/zinc/66/65/95/1266666595.db2.gz UCJWWSXCWNHYST-QBIMZIAESA-N 1 0 344.367 2.748 10 5 EFBERO CCO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000922756839 1266742233 /nfs/dbraw/zinc/74/22/33/1266742233.db2.gz PGCXECXQFUTOSO-QGZVFWFLSA-N 1 0 347.415 2.911 10 5 EFBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000734552741 1267016392 /nfs/dbraw/zinc/01/63/92/1267016392.db2.gz NJFRSHLFPXEMOI-NSHDSACASA-N 1 0 325.796 2.662 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001299280383 1267073224 /nfs/dbraw/zinc/07/32/24/1267073224.db2.gz CFKDTMQDXXMCPQ-CYBMUJFWSA-N 1 0 339.823 2.732 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001299280384 1267081070 /nfs/dbraw/zinc/08/10/70/1267081070.db2.gz CFKDTMQDXXMCPQ-ZDUSSCGKSA-N 1 0 339.823 2.732 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000828006058 1267560666 /nfs/dbraw/zinc/56/06/66/1267560666.db2.gz XYTLSFHFTYCTMG-CVEARBPZSA-N 1 0 331.416 2.516 10 5 EFBERO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000828139882 1267612263 /nfs/dbraw/zinc/61/22/63/1267612263.db2.gz OXXNNUUGWOOOBG-PHIMTYICSA-N 1 0 341.770 2.744 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000742571989 1270116344 /nfs/dbraw/zinc/11/63/44/1270116344.db2.gz JWCOMNCXLJYGDF-PKYBCLHXSA-N 1 0 347.415 2.923 10 5 EFBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785574555 1275132317 /nfs/dbraw/zinc/13/23/17/1275132317.db2.gz KSEBDECQSVLXJF-GTNSWQLSSA-N 1 0 330.340 2.535 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378595 1278954433 /nfs/dbraw/zinc/95/44/33/1278954433.db2.gz LKHSBQYLSSYSBP-GXFFZTMASA-N 1 0 343.811 2.573 10 5 EFBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608609 1276223696 /nfs/dbraw/zinc/22/36/96/1276223696.db2.gz GWKTUMHCYJNFKY-MNOVXSKESA-N 1 0 331.420 2.809 10 5 EFBERO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983873 1276421671 /nfs/dbraw/zinc/42/16/71/1276421671.db2.gz KGVPGDATZDDWSK-FVKPPRGOSA-N 1 0 344.459 2.981 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000818967958 1276573041 /nfs/dbraw/zinc/57/30/41/1276573041.db2.gz GVNHLNRNLARLOM-MRXNPFEDSA-N 1 0 334.347 2.874 10 5 EFBERO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819058701 1276585584 /nfs/dbraw/zinc/58/55/84/1276585584.db2.gz GHGOPDXVXAXBOW-ACJLOTCBSA-N 1 0 330.384 2.858 10 5 EFBERO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013430 1276588360 /nfs/dbraw/zinc/58/83/60/1276588360.db2.gz BKQJHTNBAWLQFM-IAGOWNOFSA-N 1 0 328.368 2.968 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000819177292 1276658765 /nfs/dbraw/zinc/65/87/65/1276658765.db2.gz DJZJSGKSMWEJAE-KRWDZBQOSA-N 1 0 330.388 2.730 10 5 EFBERO Cc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000819257776 1276687412 /nfs/dbraw/zinc/68/74/12/1276687412.db2.gz XSZJURSFGBTTLF-QGZVFWFLSA-N 1 0 330.384 2.783 10 5 EFBERO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819262887 1276717478 /nfs/dbraw/zinc/71/74/78/1276717478.db2.gz YQPUKCWQQLFMAD-CRAIPNDOSA-N 1 0 344.415 2.553 10 5 EFBERO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819262888 1276717802 /nfs/dbraw/zinc/71/78/02/1276717802.db2.gz YQPUKCWQQLFMAD-MAUKXSAKSA-N 1 0 344.415 2.553 10 5 EFBERO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819261476 1276717948 /nfs/dbraw/zinc/71/79/48/1276717948.db2.gz KQLCHPMJKXTAJR-MAUKXSAKSA-N 1 0 344.415 2.553 10 5 EFBERO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000819266365 1276719359 /nfs/dbraw/zinc/71/93/59/1276719359.db2.gz MGQNDHGBFVWEMS-KRWDZBQOSA-N 1 0 340.383 2.911 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000819377944 1276762192 /nfs/dbraw/zinc/76/21/92/1276762192.db2.gz XCYPPAJZABXSTD-MAUKXSAKSA-N 1 0 345.374 2.636 10 5 EFBERO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001136224571 1276775843 /nfs/dbraw/zinc/77/58/43/1276775843.db2.gz ABTDGHHQLDQTGZ-GFCCVEGCSA-N 1 0 339.823 2.639 10 5 EFBERO CC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001136345035 1277178606 /nfs/dbraw/zinc/17/86/06/1277178606.db2.gz GJEICZHFVXOMEA-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763651 1287275489 /nfs/dbraw/zinc/27/54/89/1287275489.db2.gz NDNNXXTVCCZHCY-KBPBESRZSA-N 1 0 338.795 2.949 10 5 EFBERO Cc1c(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000790544910 1277657704 /nfs/dbraw/zinc/65/77/04/1277657704.db2.gz KLKQMFFAGNEUCO-MRXNPFEDSA-N 1 0 325.368 2.798 10 5 EFBERO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844908897 1279359510 /nfs/dbraw/zinc/35/95/10/1279359510.db2.gz JVCYZYJLBKBFLS-GXTWGEPZSA-N 1 0 343.387 2.836 10 5 EFBERO COc1cc(Cc2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000844912425 1279359920 /nfs/dbraw/zinc/35/99/20/1279359920.db2.gz GBSIDZBVMDIAPL-OLZOCXBDSA-N 1 0 344.371 2.780 10 5 EFBERO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001144303491 1279399110 /nfs/dbraw/zinc/39/91/10/1279399110.db2.gz YBMQFYCEOCLYJR-UHFFFAOYSA-N 1 0 348.447 2.882 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000845224089 1279487975 /nfs/dbraw/zinc/48/79/75/1279487975.db2.gz LAJZQCNWFMPIIQ-AWEZNQCLSA-N 1 0 336.436 2.933 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccnc1F ZINC000793281504 1279528057 /nfs/dbraw/zinc/52/80/57/1279528057.db2.gz QWYALIDQPWKZFB-NSHDSACASA-N 1 0 332.335 2.636 10 5 EFBERO COc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846039691 1279995971 /nfs/dbraw/zinc/99/59/71/1279995971.db2.gz RBEXODODNLKAAY-SCLBCKFNSA-N 1 0 330.384 2.989 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846216660 1280073574 /nfs/dbraw/zinc/07/35/74/1280073574.db2.gz SSPAOECXGMEKDM-ABAIWWIYSA-N 1 0 342.399 2.604 10 5 EFBERO CC(C)[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000872017721 1287400367 /nfs/dbraw/zinc/40/03/67/1287400367.db2.gz FBSBCAOCVXCGQQ-XJKSGUPXSA-N 1 0 339.411 2.741 10 5 EFBERO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872020883 1287402536 /nfs/dbraw/zinc/40/25/36/1287402536.db2.gz MDQOIKOYZYGQBY-GFCCVEGCSA-N 1 0 347.394 2.945 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCOC1=O ZINC000872031994 1287406667 /nfs/dbraw/zinc/40/66/67/1287406667.db2.gz OSOJKSWCUKXMFP-LLVKDONJSA-N 1 0 339.417 2.810 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040269 1287408304 /nfs/dbraw/zinc/40/83/04/1287408304.db2.gz WWNIFMJZQSUSLB-QWHCGFSZSA-N 1 0 347.394 2.787 10 5 EFBERO C[C@@H](NC[C@]1([NH+](C)C)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039482 1287408470 /nfs/dbraw/zinc/40/84/70/1287408470.db2.gz FXCVOCUAFAKCLA-IAQYHMDHSA-N 1 0 327.425 2.822 10 5 EFBERO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039943 1287408811 /nfs/dbraw/zinc/40/88/11/1287408811.db2.gz WQVQMBRUIKVOBG-GFCCVEGCSA-N 1 0 330.359 2.914 10 5 EFBERO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065563 1287417552 /nfs/dbraw/zinc/41/75/52/1287417552.db2.gz DNRUMIXCJJTFDS-KGLIPLIRSA-N 1 0 339.411 2.885 10 5 EFBERO COC1([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872078599 1287422510 /nfs/dbraw/zinc/42/25/10/1287422510.db2.gz BYBAWBDNORCRPB-NEPJUHHUSA-N 1 0 326.368 2.969 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000872081756 1287422603 /nfs/dbraw/zinc/42/26/03/1287422603.db2.gz KCJQMUJFHRJIEE-LLVKDONJSA-N 1 0 335.433 2.729 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CN(c2ccncn2)C1 ZINC000872092004 1287425902 /nfs/dbraw/zinc/42/59/02/1287425902.db2.gz LYOCBMKJUJGDOB-LLVKDONJSA-N 1 0 345.428 2.646 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000805279439 1280502514 /nfs/dbraw/zinc/50/25/14/1280502514.db2.gz JXXWNTXLHJTYAI-UHFFFAOYSA-N 1 0 348.447 2.904 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872106312 1287430149 /nfs/dbraw/zinc/43/01/49/1287430149.db2.gz IHKHQNBQNTVUDH-DOMZBBRYSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872109757 1287431225 /nfs/dbraw/zinc/43/12/25/1287431225.db2.gz QTJQNVVIWJYBJN-OSRSDYAFSA-N 1 0 347.415 2.859 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872110525 1287431935 /nfs/dbraw/zinc/43/19/35/1287431935.db2.gz YZTKJEWKYJGBAN-OMNBBPDLSA-N 1 0 347.415 2.859 10 5 EFBERO Cc1ccnc([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000846972660 1280640261 /nfs/dbraw/zinc/64/02/61/1280640261.db2.gz XLZHWWSTGZSPNT-YJBOKZPZSA-N 1 0 327.384 2.821 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231488 1287488672 /nfs/dbraw/zinc/48/86/72/1287488672.db2.gz LHAWHSJJALLGFJ-MRXNPFEDSA-N 1 0 348.374 2.710 10 5 EFBERO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554197 1287591069 /nfs/dbraw/zinc/59/10/69/1287591069.db2.gz UQZRNBRCBZKWIM-DGCLKSJQSA-N 1 0 329.356 2.668 10 5 EFBERO C/C=C(\C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1 ZINC001132059071 1282829260 /nfs/dbraw/zinc/82/92/60/1282829260.db2.gz KSRJDELXCSZWBE-LHHJGKSTSA-N 1 0 346.431 2.666 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000810694015 1283528575 /nfs/dbraw/zinc/52/85/75/1283528575.db2.gz CGHHCQNAZXYTDU-QGZVFWFLSA-N 1 0 338.379 2.893 10 5 EFBERO Cc1cc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000952993177 1284969742 /nfs/dbraw/zinc/96/97/42/1284969742.db2.gz FAXYYRMTLUBZKL-GJZGRUSLSA-N 1 0 334.420 2.601 10 5 EFBERO O=[N+]([O-])c1ncn(CCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000952994965 1284978507 /nfs/dbraw/zinc/97/85/07/1284978507.db2.gz YCLZGGCMCLDTRE-UHFFFAOYSA-N 1 0 329.404 2.531 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1CCOC1 ZINC000812290172 1285025031 /nfs/dbraw/zinc/02/50/31/1285025031.db2.gz AUBJNGQHJDTMTG-KRWDZBQOSA-N 1 0 330.388 2.915 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831290 1285579523 /nfs/dbraw/zinc/57/95/23/1285579523.db2.gz LVICILGUUVPLQV-LSDHHAIUSA-N 1 0 344.415 2.959 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000813012340 1285610499 /nfs/dbraw/zinc/61/04/99/1285610499.db2.gz HYRJABYPKYALOC-KRWDZBQOSA-N 1 0 335.379 2.696 10 5 EFBERO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000813531814 1285982906 /nfs/dbraw/zinc/98/29/06/1285982906.db2.gz MXVHAFDZLUAXPC-UHFFFAOYSA-N 1 0 344.198 2.822 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001179398717 1289122051 /nfs/dbraw/zinc/12/20/51/1289122051.db2.gz MDWGXVWXXGOKJV-HUUCEWRRSA-N 1 0 333.432 2.935 10 5 EFBERO C[C@@H](Cc1cccnc1)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001176864822 1288154050 /nfs/dbraw/zinc/15/40/50/1288154050.db2.gz OVHIQPYYSZQJOZ-LBPRGKRZSA-N 1 0 339.355 2.761 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027037 1288233182 /nfs/dbraw/zinc/23/31/82/1288233182.db2.gz BMAQPPJTKKXGQC-KRWDZBQOSA-N 1 0 334.322 2.965 10 5 EFBERO CC(C)c1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001179801247 1289270482 /nfs/dbraw/zinc/27/04/82/1289270482.db2.gz UCLCHQDMTYQMRH-UHFFFAOYSA-N 1 0 349.435 2.578 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000824086749 1289536888 /nfs/dbraw/zinc/53/68/88/1289536888.db2.gz OJFOXRDBRROJAH-OLZOCXBDSA-N 1 0 325.796 2.707 10 5 EFBERO Cn1c2ccccc2c(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1=O ZINC001186790014 1291019291 /nfs/dbraw/zinc/01/92/91/1291019291.db2.gz FKHUYQOTDWAVTK-ZIAGYGMSSA-N 1 0 344.415 2.587 10 5 EFBERO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C(F)(F)F ZINC000903539099 1312838097 /nfs/dbraw/zinc/83/80/97/1312838097.db2.gz KEFYSOIQKKXIKG-ZYHUDNBSSA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903539061 1312838507 /nfs/dbraw/zinc/83/85/07/1312838507.db2.gz JCJXMGMEYYHCOB-WDEREUQCSA-N 1 0 337.729 2.960 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880678 1291261486 /nfs/dbraw/zinc/26/14/86/1291261486.db2.gz NOMXQTBFHBEPQP-UYWPIULCSA-N 1 0 345.399 2.535 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880676 1291261636 /nfs/dbraw/zinc/26/16/36/1291261636.db2.gz NOMXQTBFHBEPQP-SJDLMVEWSA-N 1 0 345.399 2.535 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660506 1291745875 /nfs/dbraw/zinc/74/58/75/1291745875.db2.gz UJBMEACREJIAEM-VHSSKADRSA-N 1 0 330.384 2.730 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880508170 1292523011 /nfs/dbraw/zinc/52/30/11/1292523011.db2.gz RFAQQAPSBYHRMV-MJEQTWJJSA-N 1 0 333.388 2.613 10 5 EFBERO C[C@@H](CN1CCOCC1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001191683517 1292627818 /nfs/dbraw/zinc/62/78/18/1292627818.db2.gz XEYZPVVKEKLFPG-HNNXBMFYSA-N 1 0 333.432 2.528 10 5 EFBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001192313278 1292865319 /nfs/dbraw/zinc/86/53/19/1292865319.db2.gz CCMYGQAWKVOFBV-QWRGUYRKSA-N 1 0 342.237 2.882 10 5 EFBERO CC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000882820991 1293338019 /nfs/dbraw/zinc/33/80/19/1293338019.db2.gz HJKAKQWSAORRNL-CYBMUJFWSA-N 1 0 340.383 2.908 10 5 EFBERO CC(C)(O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001197589769 1294627024 /nfs/dbraw/zinc/62/70/24/1294627024.db2.gz MVBVTLFMTPZTOT-CYBMUJFWSA-N 1 0 346.387 2.628 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803856165 1313259022 /nfs/dbraw/zinc/25/90/22/1313259022.db2.gz PBMUFLHCFIVKKJ-CQSZACIVSA-N 1 0 336.388 2.911 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1COC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803859048 1313265443 /nfs/dbraw/zinc/26/54/43/1313265443.db2.gz LYVWIYSHXMETBB-AWEZNQCLSA-N 1 0 336.388 2.911 10 5 EFBERO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C23CCC3)cc(C(F)(F)F)c1 ZINC000925662196 1296867118 /nfs/dbraw/zinc/86/71/18/1296867118.db2.gz ZGYRLSKLPPHIIR-ZDUSSCGKSA-N 1 0 329.322 2.988 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041154 1296981670 /nfs/dbraw/zinc/98/16/70/1296981670.db2.gz AETKMFAALSYBQL-IKKMQULASA-N 1 0 338.429 2.662 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927041199 1296981749 /nfs/dbraw/zinc/98/17/49/1296981749.db2.gz AUQCTYWGSKKDDN-JZIBPQBNSA-N 1 0 338.429 2.662 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927110077 1296992995 /nfs/dbraw/zinc/99/29/95/1296992995.db2.gz PUIREGQUYUTSLB-CRAIPNDOSA-N 1 0 347.459 2.759 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927110912 1296993138 /nfs/dbraw/zinc/99/31/38/1296993138.db2.gz WDTKBRNVGICMER-WMLDXEAASA-N 1 0 333.432 2.807 10 5 EFBERO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776275767 1297341675 /nfs/dbraw/zinc/34/16/75/1297341675.db2.gz KZJQXKORVHYNSK-GOSISDBHSA-N 1 0 330.384 2.947 10 5 EFBERO COc1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000903959747 1313492100 /nfs/dbraw/zinc/49/21/00/1313492100.db2.gz NKUNKSHMDPUAGK-GOSISDBHSA-N 1 0 349.431 2.578 10 5 EFBERO CC1(C(=O)NCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001490373924 1298791332 /nfs/dbraw/zinc/79/13/32/1298791332.db2.gz CTKGMQMHUBJTNG-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO CN(C(=O)CCCF)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001490415592 1298893718 /nfs/dbraw/zinc/89/37/18/1298893718.db2.gz WCMCXCBRFSKTGV-UHFFFAOYSA-N 1 0 337.395 2.767 10 5 EFBERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000851896490 1299453602 /nfs/dbraw/zinc/45/36/02/1299453602.db2.gz KBGKKBTUXIGJEJ-SMDDNHRTSA-N 1 0 346.320 2.830 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852084092 1299541149 /nfs/dbraw/zinc/54/11/49/1299541149.db2.gz PYAVKUNSPAZCHX-CRAIPNDOSA-N 1 0 327.384 2.903 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000852760825 1299871151 /nfs/dbraw/zinc/87/11/51/1299871151.db2.gz NHUVGUMXQMKEBH-AWEZNQCLSA-N 1 0 341.839 2.791 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852867844 1299921102 /nfs/dbraw/zinc/92/11/02/1299921102.db2.gz DXNWJCSTTCNRRN-MRXNPFEDSA-N 1 0 348.447 2.688 10 5 EFBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852897482 1299931489 /nfs/dbraw/zinc/93/14/89/1299931489.db2.gz BMRGUUCROJVQAV-CYBMUJFWSA-N 1 0 335.379 2.586 10 5 EFBERO Cc1cc(F)cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000852898395 1299931806 /nfs/dbraw/zinc/93/18/06/1299931806.db2.gz KXRXLECTXBIKMB-AWEZNQCLSA-N 1 0 349.406 2.894 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)cc1 ZINC000853023742 1299975440 /nfs/dbraw/zinc/97/54/40/1299975440.db2.gz JRYOZWCWRTVMFY-UHFFFAOYSA-N 1 0 341.327 2.767 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000853125512 1300016998 /nfs/dbraw/zinc/01/69/98/1300016998.db2.gz UGLDRXPFDATSCL-BSDSXHPESA-N 1 0 328.343 2.695 10 5 EFBERO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242734 1300063256 /nfs/dbraw/zinc/06/32/56/1300063256.db2.gz WLAVYEXGVRYAPL-MNOVXSKESA-N 1 0 341.795 2.532 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Cl)c1 ZINC000853688301 1300229716 /nfs/dbraw/zinc/22/97/16/1300229716.db2.gz LIRGVPFYSOCEAU-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000795285296 1300620471 /nfs/dbraw/zinc/62/04/71/1300620471.db2.gz UGMOLADDPXFAMQ-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826014 1301590020 /nfs/dbraw/zinc/59/00/20/1301590020.db2.gz UHOXXMCAQVKDES-SPTRTOBYSA-N 1 0 341.795 2.588 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826012 1301590694 /nfs/dbraw/zinc/59/06/94/1301590694.db2.gz UHOXXMCAQVKDES-AMDHYVTDSA-N 1 0 341.795 2.588 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862154679 1302298342 /nfs/dbraw/zinc/29/83/42/1302298342.db2.gz SBPDWKKGTWUMJD-JTQLQIEISA-N 1 0 325.796 2.851 10 5 EFBERO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000863231040 1302561729 /nfs/dbraw/zinc/56/17/29/1302561729.db2.gz XVYZVVZJLVDMLT-HNNXBMFYSA-N 1 0 334.445 2.898 10 5 EFBERO Cc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000863569278 1302653533 /nfs/dbraw/zinc/65/35/33/1302653533.db2.gz SZNWRRHJMVRQNI-RHSMWYFYSA-N 1 0 328.368 2.530 10 5 EFBERO C[C@H]1CC[C@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000794639516 1302846822 /nfs/dbraw/zinc/84/68/22/1302846822.db2.gz MCAXZVKSJMZMAG-SJCJKPOMSA-N 1 0 331.372 2.972 10 5 EFBERO C[C@@H]1CC[C@@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000794639520 1302847642 /nfs/dbraw/zinc/84/76/42/1302847642.db2.gz MCAXZVKSJMZMAG-SJKOYZFVSA-N 1 0 331.372 2.972 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000794645876 1302849601 /nfs/dbraw/zinc/84/96/01/1302849601.db2.gz PZQJBNBSQFLUPR-VIFPVBQESA-N 1 0 345.277 2.735 10 5 EFBERO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000864618618 1303000835 /nfs/dbraw/zinc/00/08/35/1303000835.db2.gz NDUBRJDXVCYOEA-VIFPVBQESA-N 1 0 326.784 2.758 10 5 EFBERO C[NH+](C)C[C@@]1(O)CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865923750 1303455762 /nfs/dbraw/zinc/45/57/62/1303455762.db2.gz BCCYJBHFAPGAHS-AWEZNQCLSA-N 1 0 348.230 2.795 10 5 EFBERO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865938151 1303461766 /nfs/dbraw/zinc/46/17/66/1303461766.db2.gz CPRUWCLUAKHTBA-UHFFFAOYSA-N 1 0 330.379 2.828 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000866075963 1303514707 /nfs/dbraw/zinc/51/47/07/1303514707.db2.gz GZPQXTWDDZNMTC-UHFFFAOYSA-N 1 0 332.404 2.935 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866204684 1303561901 /nfs/dbraw/zinc/56/19/01/1303561901.db2.gz FZRYMSIREMVJBR-PWSUYJOCSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866204685 1303561998 /nfs/dbraw/zinc/56/19/98/1303561998.db2.gz FZRYMSIREMVJBR-ZYHUDNBSSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866204683 1303562023 /nfs/dbraw/zinc/56/20/23/1303562023.db2.gz FZRYMSIREMVJBR-JQWIXIFHSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000866206988 1303562922 /nfs/dbraw/zinc/56/29/22/1303562922.db2.gz GYRYZWXDNLKYNF-JOYOIKCWSA-N 1 0 330.310 2.539 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@H]21 ZINC000866210228 1303565601 /nfs/dbraw/zinc/56/56/01/1303565601.db2.gz ZSVOFJOGVKIEDP-ZYHUDNBSSA-N 1 0 340.221 2.888 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000867990451 1304063710 /nfs/dbraw/zinc/06/37/10/1304063710.db2.gz CIMOILNEJLCUOE-KRWDZBQOSA-N 1 0 341.367 2.799 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000867992184 1304065005 /nfs/dbraw/zinc/06/50/05/1304065005.db2.gz YDGICNUPYMHDFU-KRWDZBQOSA-N 1 0 341.367 2.799 10 5 EFBERO CC(C)(CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000867994929 1304066166 /nfs/dbraw/zinc/06/61/66/1304066166.db2.gz HWLLYYGILHXOKO-CQSZACIVSA-N 1 0 329.347 2.566 10 5 EFBERO Cc1cc(F)cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000868048534 1304095271 /nfs/dbraw/zinc/09/52/71/1304095271.db2.gz ATXRIIQLXXFMAM-GFCCVEGCSA-N 1 0 343.358 2.820 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868342058 1304253357 /nfs/dbraw/zinc/25/33/57/1304253357.db2.gz VJXQDJUUKDITBQ-BPUTZDHNSA-N 1 0 346.431 2.700 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868392853 1304273976 /nfs/dbraw/zinc/27/39/76/1304273976.db2.gz DAQQMCGTUWQOIR-INIZCTEOSA-N 1 0 348.447 2.680 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000868430400 1304293139 /nfs/dbraw/zinc/29/31/39/1304293139.db2.gz PJFWTILBSDYQNU-LSDHHAIUSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000868544651 1304348390 /nfs/dbraw/zinc/34/83/90/1304348390.db2.gz IBRHHJFAWBVESY-UHFFFAOYSA-N 1 0 346.431 2.577 10 5 EFBERO Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000869053214 1304591773 /nfs/dbraw/zinc/59/17/73/1304591773.db2.gz JYJJUGBIZJUNND-INIZCTEOSA-N 1 0 346.431 2.673 10 5 EFBERO C/C(=C/C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000795128551 1305396667 /nfs/dbraw/zinc/39/66/67/1305396667.db2.gz HFMXPIMSRVWGAZ-DEQJRXDXSA-N 1 0 329.400 2.552 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000870566473 1305402213 /nfs/dbraw/zinc/40/22/13/1305402213.db2.gz DVSUBMUPRPCKJA-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO C[C@@](N)(C(=O)N1CCC[C@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870956750 1305708485 /nfs/dbraw/zinc/70/84/85/1305708485.db2.gz GYDUSDBMCACDFS-KSSFIOAISA-N 1 0 331.416 2.807 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871153163 1305842177 /nfs/dbraw/zinc/84/21/77/1305842177.db2.gz AILWZSNFSBCTTQ-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000871152829 1305843259 /nfs/dbraw/zinc/84/32/59/1305843259.db2.gz UMGQVWLRXNZTIO-UHFFFAOYSA-N 1 0 349.431 2.615 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1(C)C ZINC000871155228 1305846370 /nfs/dbraw/zinc/84/63/70/1305846370.db2.gz RHZWLIBYAHXDMB-UHFFFAOYSA-N 1 0 342.399 2.699 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871355945 1306016259 /nfs/dbraw/zinc/01/62/59/1306016259.db2.gz VTDOXZSBCJUCOE-RMKNXTFCSA-N 1 0 331.416 2.987 10 5 EFBERO O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCCC1 ZINC000801516981 1310432374 /nfs/dbraw/zinc/43/23/74/1310432374.db2.gz HKOOKOZLRPCRPZ-CQSZACIVSA-N 1 0 335.379 2.568 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000751725226 1311133113 /nfs/dbraw/zinc/13/31/13/1311133113.db2.gz HHNPZELFBXAKMM-SZGZABIGSA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C\C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000802135619 1311382261 /nfs/dbraw/zinc/38/22/61/1311382261.db2.gz ZSUJNANCMBXFAH-IDKBZEPQSA-N 1 0 348.399 2.651 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802140930 1311388977 /nfs/dbraw/zinc/38/89/77/1311388977.db2.gz OCKFMTZSXONNPK-OOXMNIKJSA-N 1 0 348.399 2.651 10 5 EFBERO C/C(=C\C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001277006552 1311449981 /nfs/dbraw/zinc/44/99/81/1311449981.db2.gz IWLJTAWAVIOOGR-JLHYYAGUSA-N 1 0 329.400 2.690 10 5 EFBERO O=C(CCC(F)(F)F)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277027970 1311494854 /nfs/dbraw/zinc/49/48/54/1311494854.db2.gz LRTHUPQMQNFHBW-UHFFFAOYSA-N 1 0 345.321 2.676 10 5 EFBERO COc1cc(COC(=O)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000780089998 1311615229 /nfs/dbraw/zinc/61/52/29/1311615229.db2.gz QSLZTIFOUDNYPR-QGZVFWFLSA-N 1 0 344.367 2.950 10 5 EFBERO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001160238650 1311670319 /nfs/dbraw/zinc/67/03/19/1311670319.db2.gz BZPNIAOIGJGODL-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001160704107 1311763700 /nfs/dbraw/zinc/76/37/00/1311763700.db2.gz ZSFANNQHMAWNCS-LBPRGKRZSA-N 1 0 325.384 2.893 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC001162020379 1312032403 /nfs/dbraw/zinc/03/24/03/1312032403.db2.gz FZMVSEXWMRGSGE-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC001162658813 1312145369 /nfs/dbraw/zinc/14/53/69/1312145369.db2.gz AUNXIRGGNLZJCW-OLZOCXBDSA-N 1 0 335.404 2.975 10 5 EFBERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000902916636 1312208582 /nfs/dbraw/zinc/20/85/82/1312208582.db2.gz YJYDXHOXDNNPRP-UONOGXRCSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000902916637 1312209101 /nfs/dbraw/zinc/20/91/01/1312209101.db2.gz YJYDXHOXDNNPRP-ZIAGYGMSSA-N 1 0 334.420 2.829 10 5 EFBERO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnccc1Nc1ccccc1 ZINC001164233237 1312473611 /nfs/dbraw/zinc/47/36/11/1312473611.db2.gz QLHOVZGDQLZIFZ-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001164322775 1312492424 /nfs/dbraw/zinc/49/24/24/1312492424.db2.gz SICYVOCMNMFAJU-HNNXBMFYSA-N 1 0 344.415 2.646 10 5 EFBERO C[N@@H+]1C[C@@]23CN(c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001164384399 1312506126 /nfs/dbraw/zinc/50/61/26/1312506126.db2.gz XDVODMJFFVGPAE-CALCHBBNSA-N 1 0 346.387 2.815 10 5 EFBERO COc1cccc(C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001164412962 1312510134 /nfs/dbraw/zinc/51/01/34/1312510134.db2.gz UECSXCQABAVHNL-HNNXBMFYSA-N 1 0 345.374 2.763 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001164412943 1312510375 /nfs/dbraw/zinc/51/03/75/1312510375.db2.gz SSDQSSMGOPKGSV-HNNXBMFYSA-N 1 0 333.338 2.894 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269703 1312525739 /nfs/dbraw/zinc/52/57/39/1312525739.db2.gz BCANERPNMCWZRP-NJZAAPMLSA-N 1 0 339.436 2.964 10 5 EFBERO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903379656 1312614154 /nfs/dbraw/zinc/61/41/54/1312614154.db2.gz HUQITYUNTVTXIZ-SUMWQHHRSA-N 1 0 343.431 2.916 10 5 EFBERO CCCCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278698913 1315573953 /nfs/dbraw/zinc/57/39/53/1315573953.db2.gz KEVFIBLSOMHCNA-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO O=C(N1CCC[N@@H+]2CCC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001261847993 1316433680 /nfs/dbraw/zinc/43/36/80/1316433680.db2.gz KHDRPCHHPPKWTD-KRWDZBQOSA-N 1 0 343.427 2.713 10 5 EFBERO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001262731465 1316485890 /nfs/dbraw/zinc/48/58/90/1316485890.db2.gz RPMRNSIABCVTPA-LBPRGKRZSA-N 1 0 343.449 2.531 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001265041244 1316698452 /nfs/dbraw/zinc/69/84/52/1316698452.db2.gz SAZOKHBBOHRTFG-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO C/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001265190186 1316748631 /nfs/dbraw/zinc/74/86/31/1316748631.db2.gz HUOZCPRTEJWYJW-LNKIKWGQSA-N 1 0 331.416 2.984 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265712910 1316865645 /nfs/dbraw/zinc/86/56/45/1316865645.db2.gz VGQDIPTXVAMBGM-XCXGBPDESA-N 1 0 343.427 2.744 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC001266025109 1316958319 /nfs/dbraw/zinc/95/83/19/1316958319.db2.gz ABHLAHXWVJFVEX-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266046151 1316972332 /nfs/dbraw/zinc/97/23/32/1316972332.db2.gz ZFJBVWXQFSXUEB-UHFFFAOYSA-N 1 0 330.388 2.565 10 5 EFBERO C/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266179700 1317126482 /nfs/dbraw/zinc/12/64/82/1317126482.db2.gz LFRMDAGUVMAYFG-LNKIKWGQSA-N 1 0 331.416 2.984 10 5 EFBERO CCC/C=C/CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279353218 1317242977 /nfs/dbraw/zinc/24/29/77/1317242977.db2.gz VEMPXYRNIJAICN-ADDHZHGLSA-N 1 0 349.475 2.759 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001283022899 1319267925 /nfs/dbraw/zinc/26/79/25/1319267925.db2.gz IPKUMKAJFVLGKZ-UJAZEGARSA-N 1 0 343.427 2.936 10 5 EFBERO CC(F)(F)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001319330820 1328852262 /nfs/dbraw/zinc/85/22/62/1328852262.db2.gz FUSWZXSYZMIFHX-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001316631565 1320246365 /nfs/dbraw/zinc/24/63/65/1320246365.db2.gz ZPRLDBOKWFIXFB-SENXGGKJSA-N 1 0 331.416 2.936 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001298637878 1323580620 /nfs/dbraw/zinc/58/06/20/1323580620.db2.gz YWLRTNDSPPXCPH-AWEZNQCLSA-N 1 0 348.447 2.877 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1(C)C ZINC001299821891 1323708754 /nfs/dbraw/zinc/70/87/54/1323708754.db2.gz MPBCCBFNUWFJNB-STQMWFEESA-N 1 0 325.796 2.707 10 5 EFBERO CCC[NH+]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306913404 1324730876 /nfs/dbraw/zinc/73/08/76/1324730876.db2.gz MWFLXLQTSMIZRH-UHFFFAOYSA-N 1 0 330.388 2.684 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N(C)CC[NH+]3CCCC3)c2c1 ZINC001306958280 1324734717 /nfs/dbraw/zinc/73/47/17/1324734717.db2.gz BDUKNTNMJCLXIZ-UHFFFAOYSA-N 1 0 330.388 2.684 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001307236763 1324753291 /nfs/dbraw/zinc/75/32/91/1324753291.db2.gz OPPDSCVAPNVBOJ-MRXNPFEDSA-N 1 0 341.411 2.933 10 5 EFBERO COc1ccc2c(c1)C[C@@H](CN1CCc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001307523879 1324771505 /nfs/dbraw/zinc/77/15/05/1324771505.db2.gz QRMAUXQLRUIGGG-SFHVURJKSA-N 1 0 340.379 2.965 10 5 EFBERO C[C@@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001307999258 1324788440 /nfs/dbraw/zinc/78/84/40/1324788440.db2.gz JCCDDGMBQZPTKX-KRWDZBQOSA-N 1 0 345.355 2.543 10 5 EFBERO O=[N+]([O-])CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001308165552 1324796605 /nfs/dbraw/zinc/79/66/05/1324796605.db2.gz OSHHEEDNFXNSSA-UHFFFAOYSA-N 1 0 343.221 2.707 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@]12CCCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001308172320 1324798506 /nfs/dbraw/zinc/79/85/06/1324798506.db2.gz XVMZPKORXCEPGU-SFHVURJKSA-N 1 0 347.415 2.959 10 5 EFBERO C[C@H](NC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001313286553 1325011007 /nfs/dbraw/zinc/01/10/07/1325011007.db2.gz LURFLEUYDYIEEY-LBPRGKRZSA-N 1 0 339.355 2.803 10 5 EFBERO O=C(/C=C/c1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317071061 1325540417 /nfs/dbraw/zinc/54/04/17/1325540417.db2.gz AVIZVYJZIHDLGK-OTNKMZJBSA-N 1 0 341.367 2.638 10 5 EFBERO O=C(/C=C\c1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317071060 1325540578 /nfs/dbraw/zinc/54/05/78/1325540578.db2.gz AVIZVYJZIHDLGK-BDLDJCAYSA-N 1 0 341.367 2.638 10 5 EFBERO O=C(CC1CCCC1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001320950215 1329323823 /nfs/dbraw/zinc/32/38/23/1329323823.db2.gz ANOOOJYCKSYLTL-ONEGZZNKSA-N 1 0 331.416 2.937 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])oc1C ZINC001321025555 1329332400 /nfs/dbraw/zinc/33/24/00/1329332400.db2.gz SJAYWCSXIUAZRI-WAYWQWQTSA-N 1 0 343.383 2.880 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001321043272 1329335689 /nfs/dbraw/zinc/33/56/89/1329335689.db2.gz CQUBGLYAACQQKO-ONEGZZNKSA-N 1 0 331.416 2.793 10 5 EFBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001321179085 1329353494 /nfs/dbraw/zinc/35/34/94/1329353494.db2.gz ZLJVUIRPBABOGQ-SREVYHEPSA-N 1 0 331.416 2.937 10 5 EFBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC=CC1 ZINC001321232929 1329360832 /nfs/dbraw/zinc/36/08/32/1329360832.db2.gz NROZYRCBFPUXET-SNAWJCMRSA-N 1 0 329.400 2.713 10 5 EFBERO CCC(=CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)CC ZINC001317210446 1327749738 /nfs/dbraw/zinc/74/97/38/1327749738.db2.gz URORABIWPJDITQ-DZFIZOCASA-N 1 0 343.427 2.888 10 5 EFBERO O=C(Cc1ccoc1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317550172 1328134368 /nfs/dbraw/zinc/13/43/68/1328134368.db2.gz VJQZHKUDSZETTI-UHFFFAOYSA-N 1 0 343.383 2.511 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cnco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317695356 1328303128 /nfs/dbraw/zinc/30/31/28/1328303128.db2.gz NVZUXBFHGUZFIN-UHFFFAOYSA-N 1 0 346.387 2.613 10 5 EFBERO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001322712043 1329481805 /nfs/dbraw/zinc/48/18/05/1329481805.db2.gz PSSGUXAMDAOWTI-CVEARBPZSA-N 1 0 330.388 2.679 10 5 EFBERO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001322712055 1329481862 /nfs/dbraw/zinc/48/18/62/1329481862.db2.gz PSSGUXAMDAOWTI-HZPDHXFCSA-N 1 0 330.388 2.679 10 5 EFBERO O=C(Cc1cccs1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323370595 1329538896 /nfs/dbraw/zinc/53/88/96/1329538896.db2.gz LQWUONKLIWDTAW-UHFFFAOYSA-N 1 0 345.424 2.637 10 5 EFBERO O=C(Cc1ccccc1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001323479716 1329546181 /nfs/dbraw/zinc/54/61/81/1329546181.db2.gz MJSGVRCXSZEJAN-UHFFFAOYSA-N 1 0 339.395 2.576 10 5 EFBERO C/C(=C\C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571738 1330318839 /nfs/dbraw/zinc/31/88/39/1330318839.db2.gz AQUXSOQUPYHNNW-AYYGCFCKSA-N 1 0 343.427 2.941 10 5 EFBERO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)CCCF)CC1 ZINC001328022247 1330542860 /nfs/dbraw/zinc/54/28/60/1330542860.db2.gz IJGANYTWJBCIFJ-UHFFFAOYSA-N 1 0 343.424 2.877 10 5 EFBERO CC[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC001331557280 1330852309 /nfs/dbraw/zinc/85/23/09/1330852309.db2.gz ZZYQHVIHMWYLMI-VHSXEESVSA-N 1 0 335.795 2.768 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001331694381 1330867183 /nfs/dbraw/zinc/86/71/83/1330867183.db2.gz KVXPCEIWTXPPSB-HNNXBMFYSA-N 1 0 346.431 2.773 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC001331867104 1330882904 /nfs/dbraw/zinc/88/29/04/1330882904.db2.gz BNTMGWNQYYEIEH-JSGCOSHPSA-N 1 0 327.384 2.961 10 5 EFBERO C[NH+]1CCC2(CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC001331961371 1330897562 /nfs/dbraw/zinc/89/75/62/1330897562.db2.gz OCMMKTZUWWPMOO-UHFFFAOYSA-N 1 0 330.432 2.875 10 5 EFBERO C[NH+](C)[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001341375757 1332255409 /nfs/dbraw/zinc/25/54/09/1332255409.db2.gz OMQHLMZTFYHRNW-HNNXBMFYSA-N 1 0 339.823 2.637 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001341392954 1332256504 /nfs/dbraw/zinc/25/65/04/1332256504.db2.gz NJSDEHPPNXXSSQ-RYUDHWBXSA-N 1 0 348.325 2.538 10 5 EFBERO COc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001345885663 1332581307 /nfs/dbraw/zinc/58/13/07/1332581307.db2.gz VBVBYMDHGAOBFH-ZDUSSCGKSA-N 1 0 348.403 2.696 10 5 EFBERO CC[NH+](CC)C1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001346115373 1332601314 /nfs/dbraw/zinc/60/13/14/1332601314.db2.gz BODQTMWAJVJNKA-UHFFFAOYSA-N 1 0 349.431 2.688 10 5 EFBERO COc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001347813624 1332775583 /nfs/dbraw/zinc/77/55/83/1332775583.db2.gz LOVFMDDIPXINDI-CYBMUJFWSA-N 1 0 347.415 2.692 10 5 EFBERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC001348111521 1332801013 /nfs/dbraw/zinc/80/10/13/1332801013.db2.gz ZNNFGECBTOMXDA-HUUCEWRRSA-N 1 0 345.403 2.511 10 5 EFBERO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001348348685 1332827259 /nfs/dbraw/zinc/82/72/59/1332827259.db2.gz GBYMXDQFKRGXEE-LBPRGKRZSA-N 1 0 335.379 2.823 10 5 EFBERO Cc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001348349276 1332827593 /nfs/dbraw/zinc/82/75/93/1332827593.db2.gz OLMBLXVDKFRDQP-AWEZNQCLSA-N 1 0 331.416 2.992 10 5 EFBERO Cc1c(CC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001348736961 1332864487 /nfs/dbraw/zinc/86/44/87/1332864487.db2.gz KGJPIFQBULRXFS-UHFFFAOYSA-N 1 0 333.432 2.825 10 5 EFBERO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349383015 1332945743 /nfs/dbraw/zinc/94/57/43/1332945743.db2.gz JASNZMQHFZHUJW-CYBMUJFWSA-N 1 0 349.406 2.752 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001350079245 1333032628 /nfs/dbraw/zinc/03/26/28/1333032628.db2.gz VDVJIAHDDXJVFH-INIZCTEOSA-N 1 0 342.342 2.990 10 5 EFBERO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001350603758 1333102133 /nfs/dbraw/zinc/10/21/33/1333102133.db2.gz YBNAHTGTNFYBCE-AWEZNQCLSA-N 1 0 331.416 2.613 10 5 EFBERO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001350603759 1333102213 /nfs/dbraw/zinc/10/22/13/1333102213.db2.gz YBNAHTGTNFYBCE-CQSZACIVSA-N 1 0 331.416 2.613 10 5 EFBERO COc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001350603063 1333102269 /nfs/dbraw/zinc/10/22/69/1333102269.db2.gz MPSRZRCHEZNTCK-CYBMUJFWSA-N 1 0 347.415 2.692 10 5 EFBERO COc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001350603066 1333102484 /nfs/dbraw/zinc/10/24/84/1333102484.db2.gz MPSRZRCHEZNTCK-ZDUSSCGKSA-N 1 0 347.415 2.692 10 5 EFBERO Cc1cc(Cl)c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000847180828 1333386201 /nfs/dbraw/zinc/38/62/01/1333386201.db2.gz VCOQTIFYUOKZGL-PHIMTYICSA-N 1 0 325.796 2.627 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1CCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001354194707 1334158846 /nfs/dbraw/zinc/15/88/46/1334158846.db2.gz VFQOBLWXQLRJQY-AWEZNQCLSA-N 1 0 346.362 2.711 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001300704249 1334487453 /nfs/dbraw/zinc/48/74/53/1334487453.db2.gz CJJNMDZVCHDHLK-GFCCVEGCSA-N 1 0 339.823 2.780 10 5 EFBERO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001354808494 1334532429 /nfs/dbraw/zinc/53/24/29/1334532429.db2.gz WRPPSCLAWGIZPZ-CYBMUJFWSA-N 1 0 335.379 2.728 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000848369164 1334697886 /nfs/dbraw/zinc/69/78/86/1334697886.db2.gz CMYOILHYICKBQN-UKYUDJEDSA-N 1 0 331.416 2.987 10 5 EFBERO C[C@@H]1SCCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000848478890 1334736738 /nfs/dbraw/zinc/73/67/38/1334736738.db2.gz OAVHZICNBWJGOT-XEZPLFJOSA-N 1 0 349.456 2.694 10 5 EFBERO CC[C@]1(C)CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848482996 1334739737 /nfs/dbraw/zinc/73/97/37/1334739737.db2.gz XARIXBHHIQRXFX-SJLPKXTDSA-N 1 0 331.416 2.990 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC2(CCC2)C1 ZINC000848482566 1334740480 /nfs/dbraw/zinc/74/04/80/1334740480.db2.gz QPYKMNXQINBLMC-MRXNPFEDSA-N 1 0 329.400 2.744 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848483557 1334740860 /nfs/dbraw/zinc/74/08/60/1334740860.db2.gz JWGPCIVQOWUJFY-CKEIUWERSA-N 1 0 331.416 2.846 10 5 EFBERO CC[C@@H]1[C@@H](C)CC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483893 1334741064 /nfs/dbraw/zinc/74/10/64/1334741064.db2.gz AWRBDYOZZYYZMW-RRQGHBQHSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C ZINC000848483559 1334741094 /nfs/dbraw/zinc/74/10/94/1334741094.db2.gz JWGPCIVQOWUJFY-JKIFEVAISA-N 1 0 331.416 2.846 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848483558 1334741111 /nfs/dbraw/zinc/74/11/11/1334741111.db2.gz JWGPCIVQOWUJFY-CPUCHLNUSA-N 1 0 331.416 2.846 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000848487008 1334743276 /nfs/dbraw/zinc/74/32/76/1334743276.db2.gz PDHXXZUZUSVSOM-WMZOPIPTSA-N 1 0 343.427 2.990 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848578815 1334806636 /nfs/dbraw/zinc/80/66/36/1334806636.db2.gz SSQYWFGOWSQGOL-CQSZACIVSA-N 1 0 333.388 2.791 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001355868667 1334892378 /nfs/dbraw/zinc/89/23/78/1334892378.db2.gz RLDHQBLHXOLDLG-SWLSCSKDSA-N 1 0 335.379 2.599 10 5 EFBERO CC[N@H+](CCNC(=O)c1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001492906820 1363433977 /nfs/dbraw/zinc/43/39/77/1363433977.db2.gz UOJVSDIMROXIHX-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C(F)F)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492953302 1367703906 /nfs/dbraw/zinc/70/39/06/1367703906.db2.gz MCUAZWJLXIIMFN-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CC(F)(F)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001506895460 1406413751 /nfs/dbraw/zinc/41/37/51/1406413751.db2.gz DSWBCIPABFPWKT-AULYBMBSSA-N 1 0 341.358 2.625 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001444182967 1391458571 /nfs/dbraw/zinc/45/85/71/1391458571.db2.gz XEFCCRAJVOVKHB-UHFFFAOYSA-N 1 0 327.384 2.629 10 5 EFBERO CCOc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC001446872958 1391627061 /nfs/dbraw/zinc/62/70/61/1391627061.db2.gz YJGYUVYVSSHKKP-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)CC1 ZINC001450229867 1392528390 /nfs/dbraw/zinc/52/83/90/1392528390.db2.gz ITAGMBPHSZJLFI-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001457038725 1394935434 /nfs/dbraw/zinc/93/54/34/1394935434.db2.gz NLFAKETUQFQWHZ-GHMZBOCLSA-N 1 0 325.796 2.851 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001457409992 1395101405 /nfs/dbraw/zinc/10/14/05/1395101405.db2.gz GHKFNZRQYOFZAC-ZDUSSCGKSA-N 1 0 337.445 2.873 10 5 EFBERO CC[C@@H](CO)[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001458218981 1395426237 /nfs/dbraw/zinc/42/62/37/1395426237.db2.gz LHXVGVBPPFTVJI-NSHDSACASA-N 1 0 347.337 2.507 10 5 EFBERO CC[N@@H+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001458264620 1395433647 /nfs/dbraw/zinc/43/36/47/1395433647.db2.gz OGGLUWMYNHZBDF-NSHDSACASA-N 1 0 345.359 2.582 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001458382643 1395457072 /nfs/dbraw/zinc/45/70/72/1395457072.db2.gz DDONZUUVKCFXRB-TXEJJXNPSA-N 1 0 345.321 2.889 10 5 EFBERO COc1cc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1OC ZINC001458427457 1395465425 /nfs/dbraw/zinc/46/54/25/1395465425.db2.gz GWDACJYPLYCRIS-UHFFFAOYSA-N 1 0 328.328 2.872 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1(C)C ZINC001458449839 1395471108 /nfs/dbraw/zinc/47/11/08/1395471108.db2.gz FWRABMUJVOSAPY-QWRGUYRKSA-N 1 0 343.225 2.893 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001458457843 1395473269 /nfs/dbraw/zinc/47/32/69/1395473269.db2.gz XUJZGENYEFOQSG-FEPMCFLQSA-N 1 0 347.415 2.922 10 5 EFBERO CCO[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C[NH+](C)C ZINC001458589193 1395512995 /nfs/dbraw/zinc/51/29/95/1395512995.db2.gz BKVVTGFOEPZERU-SNVBAGLBSA-N 1 0 335.326 2.992 10 5 EFBERO CCO[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+](C)C ZINC001458590809 1395513813 /nfs/dbraw/zinc/51/38/13/1395513813.db2.gz HMOZUOCFMVQQST-NSHDSACASA-N 1 0 335.326 2.992 10 5 EFBERO O=C(NCC1CC1)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC001459702059 1395976138 /nfs/dbraw/zinc/97/61/38/1395976138.db2.gz HNPIAKFTTBTRDB-UHFFFAOYSA-N 1 0 335.379 2.663 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC001462242361 1396428858 /nfs/dbraw/zinc/42/88/58/1396428858.db2.gz IONZOVBXZPQPCL-OAHLLOKOSA-N 1 0 346.431 2.825 10 5 EFBERO C[NH+](C)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC001466056538 1396734259 /nfs/dbraw/zinc/73/42/59/1396734259.db2.gz NMRZCSJFBSMZEH-UHFFFAOYSA-N 1 0 325.796 2.739 10 5 EFBERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001466060563 1396735263 /nfs/dbraw/zinc/73/52/63/1396735263.db2.gz HQDLPENMPCEMCD-LBPRGKRZSA-N 1 0 339.823 2.956 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001467889096 1396906356 /nfs/dbraw/zinc/90/63/56/1396906356.db2.gz NQRCJIBPXNZUMN-INIZCTEOSA-N 1 0 333.432 2.716 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1(C)C ZINC001469333476 1397024922 /nfs/dbraw/zinc/02/49/22/1397024922.db2.gz SLRXDRSDTDSASG-UONOGXRCSA-N 1 0 330.388 2.535 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1(C)C ZINC001469333479 1397025259 /nfs/dbraw/zinc/02/52/59/1397025259.db2.gz SLRXDRSDTDSASG-ZIAGYGMSSA-N 1 0 330.388 2.535 10 5 EFBERO Nc1c(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cccc1[N+](=O)[O-] ZINC001469733258 1397051990 /nfs/dbraw/zinc/05/19/90/1397051990.db2.gz SQNZZXBSJSWNCI-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001470990303 1397132038 /nfs/dbraw/zinc/13/20/38/1397132038.db2.gz IPWVKEIDONOBMG-UHFFFAOYSA-N 1 0 349.406 2.990 10 5 EFBERO C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001471320163 1397159711 /nfs/dbraw/zinc/15/97/11/1397159711.db2.gz BKOQTEPHMXOEHP-GFCCVEGCSA-N 1 0 343.387 2.616 10 5 EFBERO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473283080 1397293862 /nfs/dbraw/zinc/29/38/62/1397293862.db2.gz XOWBYCONWZZMRS-KRWDZBQOSA-N 1 0 346.387 2.772 10 5 EFBERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473439286 1397301822 /nfs/dbraw/zinc/30/18/22/1397301822.db2.gz BQEYCKVAONSFJZ-STQMWFEESA-N 1 0 346.387 2.770 10 5 EFBERO CO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001473485530 1397305121 /nfs/dbraw/zinc/30/51/21/1397305121.db2.gz XZKAZDDQQNCERL-QWHCGFSZSA-N 1 0 332.360 2.548 10 5 EFBERO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001473712623 1397324073 /nfs/dbraw/zinc/32/40/73/1397324073.db2.gz IMVFZSRDCLEIRQ-BONVTDFDSA-N 1 0 326.780 2.879 10 5 EFBERO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473744632 1397327639 /nfs/dbraw/zinc/32/76/39/1397327639.db2.gz BMZIVOWSWDJOGW-CYBMUJFWSA-N 1 0 349.778 2.508 10 5 EFBERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001473785008 1397331980 /nfs/dbraw/zinc/33/19/80/1397331980.db2.gz JYKATJCDKJLOIZ-LBPRGKRZSA-N 1 0 329.356 2.893 10 5 EFBERO Cc1cccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473879912 1397342788 /nfs/dbraw/zinc/34/27/88/1397342788.db2.gz ZFRGXRLXFUDEKK-ZDUSSCGKSA-N 1 0 328.372 2.978 10 5 EFBERO Cc1ncccc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479793150 1397870210 /nfs/dbraw/zinc/87/02/10/1397870210.db2.gz LCQNFHNVQIUNDD-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001493646965 1398788649 /nfs/dbraw/zinc/78/86/49/1398788649.db2.gz DRWBWJJVICGAGU-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1C ZINC001507787744 1407159397 /nfs/dbraw/zinc/15/93/97/1407159397.db2.gz NHPHKVSWRGIEQW-QZTJIDSGSA-N 1 0 347.459 2.637 10 5 EFBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001498511639 1402153502 /nfs/dbraw/zinc/15/35/02/1402153502.db2.gz LNJVAARCAIOWGM-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO Cc1cccnc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001498532703 1402163857 /nfs/dbraw/zinc/16/38/57/1402163857.db2.gz XNJNAEJPLUHFJL-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(NCC[N@H+](C/C=C/Cl)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001499518057 1402655554 /nfs/dbraw/zinc/65/55/54/1402655554.db2.gz UQMMAVUUVHTVAG-VZLFFANISA-N 1 0 343.855 2.545 10 5 EFBERO CC(C)N(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725728878 1425799687 /nfs/dbraw/zinc/79/96/87/1425799687.db2.gz RWWQWADAMIRKTH-HUUCEWRRSA-N 1 0 327.469 2.647 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001556549957 1415075405 /nfs/dbraw/zinc/07/54/05/1415075405.db2.gz FXIZVGUNLZQFJZ-OLZOCXBDSA-N 1 0 335.379 2.741 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001557581709 1415133072 /nfs/dbraw/zinc/13/30/72/1415133072.db2.gz WAEMJIYANNPRFM-OLZOCXBDSA-N 1 0 334.420 2.512 10 5 EFBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001557952985 1415152432 /nfs/dbraw/zinc/15/24/32/1415152432.db2.gz UULBOFDSORMHMG-OAHLLOKOSA-N 1 0 348.447 2.660 10 5 EFBERO Cc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH]1 ZINC001558462947 1415181471 /nfs/dbraw/zinc/18/14/71/1415181471.db2.gz KJALPMVTLLCQQM-UHFFFAOYSA-N 1 0 342.277 2.884 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001558525242 1415185854 /nfs/dbraw/zinc/18/58/54/1415185854.db2.gz HNMIPIVPCKZLMN-CYBMUJFWSA-N 1 0 325.796 2.708 10 5 EFBERO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001558679747 1415194672 /nfs/dbraw/zinc/19/46/72/1415194672.db2.gz YHPWTCIPRUOHJN-OAHLLOKOSA-N 1 0 331.416 2.790 10 5 EFBERO CC(C)[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCC1 ZINC001559062117 1415222122 /nfs/dbraw/zinc/22/21/22/1415222122.db2.gz MEFMYYWRLXNRMF-JTQLQIEISA-N 1 0 349.357 2.879 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001559266173 1415234563 /nfs/dbraw/zinc/23/45/63/1415234563.db2.gz RHHNYTUJYUPEKD-KRWDZBQOSA-N 1 0 339.395 2.818 10 5 EFBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1OC(F)F ZINC001559686584 1415252693 /nfs/dbraw/zinc/25/26/93/1415252693.db2.gz HOPHCJAMSHQZCP-SECBINFHSA-N 1 0 344.293 2.883 10 5 EFBERO CO[C@@](C)([C@@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001559909249 1415257923 /nfs/dbraw/zinc/25/79/23/1415257923.db2.gz LGVGMLOCQAQDLF-DIFFPNOSSA-N 1 0 346.387 2.938 10 5 EFBERO CO[C@](C)([C@@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001559909251 1415258010 /nfs/dbraw/zinc/25/80/10/1415258010.db2.gz LGVGMLOCQAQDLF-PIGZYNQJSA-N 1 0 346.387 2.938 10 5 EFBERO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CCO ZINC001559982585 1415259982 /nfs/dbraw/zinc/25/99/82/1415259982.db2.gz SEPLNTYSMAMQJC-GXTWGEPZSA-N 1 0 346.387 2.628 10 5 EFBERO COC(=O)[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC001560063958 1415262575 /nfs/dbraw/zinc/26/25/75/1415262575.db2.gz PFVDSOGAHTWMER-BONVTDFDSA-N 1 0 326.780 2.879 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001560131463 1415264612 /nfs/dbraw/zinc/26/46/12/1415264612.db2.gz DCEJVLKPSHLDKP-BDJLRTHQSA-N 1 0 331.328 2.887 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001560131464 1415264676 /nfs/dbraw/zinc/26/46/76/1415264676.db2.gz DCEJVLKPSHLDKP-BZNIZROVSA-N 1 0 331.328 2.887 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001560176128 1415265763 /nfs/dbraw/zinc/26/57/63/1415265763.db2.gz NZSGDWZVHGSJOH-INIZCTEOSA-N 1 0 349.431 2.763 10 5 EFBERO COC(=O)C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001560172994 1415266337 /nfs/dbraw/zinc/26/63/37/1415266337.db2.gz PMLUVMQJPNJXKL-OAHLLOKOSA-N 1 0 338.404 2.931 10 5 EFBERO C[C@@](CO)(Cc1ccccc1F)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001560183729 1415267558 /nfs/dbraw/zinc/26/75/58/1415267558.db2.gz WIGHUNFULJPBQN-SFHVURJKSA-N 1 0 348.374 2.696 10 5 EFBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001560235902 1415269700 /nfs/dbraw/zinc/26/97/00/1415269700.db2.gz ZBOPCMGBQMYQGD-HZPDHXFCSA-N 1 0 335.360 2.894 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001560231481 1415269894 /nfs/dbraw/zinc/26/98/94/1415269894.db2.gz UTMNUCKXFLGXQI-IBGZPJMESA-N 1 0 342.395 2.957 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1c(C)nn(C)c1C ZINC001560618339 1415291944 /nfs/dbraw/zinc/29/19/44/1415291944.db2.gz QEECWTDBNIBHFS-UEICXMAYSA-N 1 0 344.415 2.672 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377018 1415376203 /nfs/dbraw/zinc/37/62/03/1415376203.db2.gz XSXLQLXAAKQAON-USXIJHARSA-N 1 0 346.431 2.782 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001566170213 1415533272 /nfs/dbraw/zinc/53/32/72/1415533272.db2.gz OCYDCPAVDJOTIY-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566213999 1415535255 /nfs/dbraw/zinc/53/52/55/1415535255.db2.gz QKEOKXCQQCSWGC-UHFFFAOYSA-N 1 0 337.767 2.594 10 5 EFBERO C[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566449309 1415552362 /nfs/dbraw/zinc/55/23/62/1415552362.db2.gz KWBDXTLTWTVVPP-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566801198 1415779204 /nfs/dbraw/zinc/77/92/04/1415779204.db2.gz QWQVUHHLIVKIQK-IYEFPVAYSA-N 1 0 329.400 2.854 10 5 EFBERO O=C(CCCC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001566975392 1415884503 /nfs/dbraw/zinc/88/45/03/1415884503.db2.gz SMZNJDGLVUYOSJ-DZFIZOCASA-N 1 0 343.427 2.722 10 5 EFBERO C[N@H+](CCNC(=O)C(C)(C)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001567316192 1416068406 /nfs/dbraw/zinc/06/84/06/1416068406.db2.gz QZYDKOFKJHHYOY-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC001567333030 1416077270 /nfs/dbraw/zinc/07/72/70/1416077270.db2.gz HYZGJODHYKVIRO-QZTJIDSGSA-N 1 0 345.443 2.557 10 5 EFBERO CCC[N@H+](CCNC(=O)c1[nH]ccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001567424346 1416132262 /nfs/dbraw/zinc/13/22/62/1416132262.db2.gz SNFZDQCTQZHJHT-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1cccs1 ZINC001567602989 1416205861 /nfs/dbraw/zinc/20/58/61/1416205861.db2.gz VOELHWRJIZEKCW-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cccs1 ZINC001567602373 1416206026 /nfs/dbraw/zinc/20/60/26/1416206026.db2.gz ICYJUUHCRAVZNS-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO O=C(CC1CC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001568229656 1416448736 /nfs/dbraw/zinc/44/87/36/1416448736.db2.gz HXHODZGXYKSXAV-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CCc1ccccc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001646043418 1416605025 /nfs/dbraw/zinc/60/50/25/1416605025.db2.gz DNHXYZIYKYZOCJ-UHFFFAOYSA-N 1 0 340.427 2.917 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001690269280 1417180927 /nfs/dbraw/zinc/18/09/27/1417180927.db2.gz PHHGVKPFJSASLO-ONTYGWCMSA-N 1 0 337.445 2.995 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001690269281 1417181087 /nfs/dbraw/zinc/18/10/87/1417181087.db2.gz PHHGVKPFJSASLO-SOICHRRHSA-N 1 0 337.445 2.995 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001690323504 1417190803 /nfs/dbraw/zinc/19/08/03/1417190803.db2.gz PMVCWMFAFSLHCY-GASCZTMLSA-N 1 0 343.383 2.557 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001699168058 1417409114 /nfs/dbraw/zinc/40/91/14/1417409114.db2.gz VULULQMFVXLWOJ-CMDGGOBGSA-N 1 0 343.383 2.839 10 5 EFBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001714785869 1418637885 /nfs/dbraw/zinc/63/78/85/1418637885.db2.gz NHZRDBVIDIICFX-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccsc1 ZINC001716205617 1418724758 /nfs/dbraw/zinc/72/47/58/1418724758.db2.gz WDIDMMQUVFSJFI-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)sn1 ZINC001716215061 1418725404 /nfs/dbraw/zinc/72/54/04/1418725404.db2.gz SELQAYLQOXYJOB-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CC2)C1 ZINC001716240127 1418733690 /nfs/dbraw/zinc/73/36/90/1418733690.db2.gz SNWFMEJSAYGPGD-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC(C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001716292215 1418755555 /nfs/dbraw/zinc/75/55/55/1418755555.db2.gz GAWLBULWDLRZGD-NSCUHMNNSA-N 1 0 329.400 2.857 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CC2)CC1 ZINC001716307651 1418763531 /nfs/dbraw/zinc/76/35/31/1418763531.db2.gz URAONAXISLSXHK-UPHRSURJSA-N 1 0 329.400 2.547 10 5 EFBERO CCC1(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001716333441 1418781269 /nfs/dbraw/zinc/78/12/69/1418781269.db2.gz YUIBWURBSFOYDJ-WAYWQWQTSA-N 1 0 331.416 2.937 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001716549461 1418911936 /nfs/dbraw/zinc/91/19/36/1418911936.db2.gz XKZPLGPDKKBSAQ-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(F)CCCC1 ZINC001716551858 1418913238 /nfs/dbraw/zinc/91/32/38/1418913238.db2.gz NTYWSSDDSFEKMK-UHFFFAOYSA-N 1 0 343.424 2.877 10 5 EFBERO O=C(Cc1cccs1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716674092 1418954927 /nfs/dbraw/zinc/95/49/27/1418954927.db2.gz MCWCIJXFFRAWGA-UHFFFAOYSA-N 1 0 345.424 2.637 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cccs1 ZINC001716675097 1418955052 /nfs/dbraw/zinc/95/50/52/1418955052.db2.gz YCRMNUWYQJGQCH-UHFFFAOYSA-N 1 0 331.397 2.709 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1(C2CC2)CC1 ZINC001717153332 1419240410 /nfs/dbraw/zinc/24/04/10/1419240410.db2.gz RSYBGNIZRVFWAP-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CC/C(C)=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001717639273 1419483525 /nfs/dbraw/zinc/48/35/25/1419483525.db2.gz HIGJCCZPBHJLCL-KPTJZTMLSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CF)CCC1 ZINC001717648582 1419486649 /nfs/dbraw/zinc/48/66/49/1419486649.db2.gz FTYAYQNRIZFEFD-CTYIDZIISA-N 1 0 349.406 2.719 10 5 EFBERO CC(C)CC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001718014127 1419655021 /nfs/dbraw/zinc/65/50/21/1419655021.db2.gz IKGZEWIFDUZLRH-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]c1 ZINC001725728544 1425799422 /nfs/dbraw/zinc/79/94/22/1425799422.db2.gz SBWJMFPZZZPBPI-UHFFFAOYSA-N 1 0 344.415 2.906 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000300487075 713408323 /nfs/dbraw/zinc/40/83/23/713408323.db2.gz KJASCMBZJUWFHG-LBPRGKRZSA-N 1 0 340.221 2.637 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933733490 715030119 /nfs/dbraw/zinc/03/01/19/715030119.db2.gz KINNOUKEVYYLIR-DOMZBBRYSA-N 1 0 343.349 2.997 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000108087695 715392894 /nfs/dbraw/zinc/39/28/94/715392894.db2.gz JGHBQBONXLIWEQ-OWNNVSBGSA-N 1 0 347.415 2.925 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000051994285 715908013 /nfs/dbraw/zinc/90/80/13/715908013.db2.gz GBPNNQUACHXBQL-AORWBKJGSA-N 1 0 335.404 2.923 10 5 EFBERO C[C@@H]1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209551 716778248 /nfs/dbraw/zinc/77/82/48/716778248.db2.gz AOTNWHSPRHCVDL-MFKMUULPSA-N 1 0 342.237 2.930 10 5 EFBERO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762614 717348834 /nfs/dbraw/zinc/34/88/34/717348834.db2.gz MHURVECZVJFJKM-GXFFZTMASA-N 1 0 342.237 2.835 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)cn1 ZINC000895677971 724249310 /nfs/dbraw/zinc/24/93/10/724249310.db2.gz WFVCZIBRRMQODH-MRXNPFEDSA-N 1 0 346.431 2.650 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892775914 719156601 /nfs/dbraw/zinc/15/66/01/719156601.db2.gz DUCJCXLNASWLKA-IYPOZPNPSA-N 1 0 329.400 2.599 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000893025314 719474863 /nfs/dbraw/zinc/47/48/63/719474863.db2.gz HJFKJVGPTPTDRI-RYUDHWBXSA-N 1 0 325.434 2.991 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893025481 719477928 /nfs/dbraw/zinc/47/79/28/719477928.db2.gz KTOQIRHKSFKGJE-LSDHHAIUSA-N 1 0 349.431 2.695 10 5 EFBERO CC[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893874002 720136381 /nfs/dbraw/zinc/13/63/81/720136381.db2.gz TVPIBGGMCIGAFW-LLVKDONJSA-N 1 0 343.836 2.551 10 5 EFBERO Cc1ccc(-c2noc(COC3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000923821275 724769127 /nfs/dbraw/zinc/76/91/27/724769127.db2.gz PEYVZILCUCYBII-UHFFFAOYSA-N 1 0 332.360 2.564 10 5 EFBERO CC[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000895139555 723436783 /nfs/dbraw/zinc/43/67/83/723436783.db2.gz NYDXEIGCUJQWNG-SECBINFHSA-N 1 0 334.294 2.902 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897021711 723953599 /nfs/dbraw/zinc/95/35/99/723953599.db2.gz ACPVACOPBFGKOT-HOFZKYPUSA-N 1 0 345.399 2.819 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)OCCO2 ZINC000895581963 724213076 /nfs/dbraw/zinc/21/30/76/724213076.db2.gz DMXXEALQQJTAOF-LLVKDONJSA-N 1 0 347.396 2.812 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)OCCO2 ZINC000895658767 724244056 /nfs/dbraw/zinc/24/40/56/724244056.db2.gz OHZIOHFPFDJQJG-UHFFFAOYSA-N 1 0 348.399 2.901 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)cn1 ZINC000895765552 724304715 /nfs/dbraw/zinc/30/47/15/724304715.db2.gz ORRGLIYGFRJNPC-UHFFFAOYSA-N 1 0 343.387 2.614 10 5 EFBERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895785639 724312857 /nfs/dbraw/zinc/31/28/57/724312857.db2.gz ZMTKRKSHANTIGQ-OMNBBPDLSA-N 1 0 330.432 2.840 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)O2 ZINC000895817975 724330593 /nfs/dbraw/zinc/33/05/93/724330593.db2.gz AALKNKJVUMNTLW-LTCOOKNTSA-N 1 0 334.416 2.700 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]CCc3ccc([N+](=O)[O-])cc3)O2)[C@H]1C ZINC000895817974 724330594 /nfs/dbraw/zinc/33/05/94/724330594.db2.gz AALKNKJVUMNTLW-LBTBCDHLSA-N 1 0 334.416 2.700 10 5 EFBERO CN(CC[N@H+](C)C1CC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907448518 726946963 /nfs/dbraw/zinc/94/69/63/726946963.db2.gz ORMCLKKXVPRRFC-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910280366 727426742 /nfs/dbraw/zinc/42/67/42/727426742.db2.gz AMFSSAXILXNNRB-OKFGHLOFSA-N 1 0 331.416 2.941 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910280368 727426909 /nfs/dbraw/zinc/42/69/09/727426909.db2.gz AMFSSAXILXNNRB-ZQHYZAEZSA-N 1 0 331.416 2.941 10 5 EFBERO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1CCCCCC1 ZINC000911475847 727543813 /nfs/dbraw/zinc/54/38/13/727543813.db2.gz LPBSBVVPNMWISM-NSHDSACASA-N 1 0 341.358 2.754 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000912327004 727696289 /nfs/dbraw/zinc/69/62/89/727696289.db2.gz PMVCTORCCSLOED-UHFFFAOYSA-N 1 0 331.416 2.813 10 5 EFBERO Cc1cc(F)cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000912598287 727728138 /nfs/dbraw/zinc/72/81/38/727728138.db2.gz FEILQJKFUYTPRC-UONOGXRCSA-N 1 0 335.379 2.645 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912651437 727732577 /nfs/dbraw/zinc/73/25/77/727732577.db2.gz VUSWZWPHVFBHEU-QWHCGFSZSA-N 1 0 334.420 2.512 10 5 EFBERO CC[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000912731045 727739343 /nfs/dbraw/zinc/73/93/43/727739343.db2.gz KBIDQZILBDVMCH-WCQYABFASA-N 1 0 339.823 2.780 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913281117 727814611 /nfs/dbraw/zinc/81/46/11/727814611.db2.gz LNSLFIOMBDPSEL-KHEBXBECSA-N 1 0 343.427 2.798 10 5 EFBERO CSc1cccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913281500 727815011 /nfs/dbraw/zinc/81/50/11/727815011.db2.gz QWIMBUXZRVHRCO-CALCHBBNSA-N 1 0 349.456 2.731 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913282702 727815287 /nfs/dbraw/zinc/81/52/87/727815287.db2.gz INQPSGDMRQZWNA-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@]2(C)C1 ZINC000913288262 727816698 /nfs/dbraw/zinc/81/66/98/727816698.db2.gz CIZBLQIYSFELSB-ROUUACIJSA-N 1 0 343.383 2.755 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@]2(C)C1 ZINC000913288260 727816872 /nfs/dbraw/zinc/81/68/72/727816872.db2.gz CIZBLQIYSFELSB-HDICACEKSA-N 1 0 343.383 2.755 10 5 EFBERO CSc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000913293020 727818146 /nfs/dbraw/zinc/81/81/46/727818146.db2.gz HWMUUSACZGXEOJ-IRXDYDNUSA-N 1 0 349.456 2.731 10 5 EFBERO CC1CC[NH+](CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913385158 727830603 /nfs/dbraw/zinc/83/06/03/727830603.db2.gz RKXGGPCFEARSSN-UHFFFAOYSA-N 1 0 343.786 2.735 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913392460 727833503 /nfs/dbraw/zinc/83/35/03/727833503.db2.gz DVMYWCRUJGERFC-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO C/C(=C\C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000913394215 727833956 /nfs/dbraw/zinc/83/39/56/727833956.db2.gz QTQNJPFDDXXGBP-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000164937620 727998424 /nfs/dbraw/zinc/99/84/24/727998424.db2.gz RUNZCVSOFFZWDQ-PBHICJAKSA-N 1 0 330.388 2.529 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000164990375 728004511 /nfs/dbraw/zinc/00/45/11/728004511.db2.gz VQSMBFJLDXXYFO-PBHICJAKSA-N 1 0 330.388 2.529 10 5 EFBERO CC(C)(O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000229163127 728485366 /nfs/dbraw/zinc/48/53/66/728485366.db2.gz XPIQQKHAGJBYHT-UHFFFAOYSA-N 1 0 331.210 2.996 10 5 EFBERO CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001570310969 1086139503 /nfs/dbraw/zinc/13/95/03/1086139503.db2.gz LWCGAHFJYZMJIU-GVKUHWBJSA-N 1 0 343.427 2.640 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001570619904 1086412869 /nfs/dbraw/zinc/41/28/69/1086412869.db2.gz WENMPBIESXXYGO-ZIAGYGMSSA-N 1 0 339.823 2.636 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1)C1CC1 ZINC001570791064 1086520346 /nfs/dbraw/zinc/52/03/46/1086520346.db2.gz YILKHJNBYQPOSD-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO COc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1F ZINC001647938346 1089916371 /nfs/dbraw/zinc/91/63/71/1089916371.db2.gz NCOMYBCCSILBEZ-UHFFFAOYSA-N 1 0 330.275 2.643 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cc(O)ccc3C2)c1 ZINC001620684690 1091149923 /nfs/dbraw/zinc/14/99/23/1091149923.db2.gz RIMHZRXOVDWAKR-UHFFFAOYSA-N 1 0 342.351 2.645 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648591955 1092235944 /nfs/dbraw/zinc/23/59/44/1092235944.db2.gz SWDJBOYQUCYZBC-QYZOEREBSA-N 1 0 347.459 2.823 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001648617000 1092241055 /nfs/dbraw/zinc/24/10/55/1092241055.db2.gz IUBJMLKZORWACH-AWEZNQCLSA-N 1 0 338.310 2.575 10 5 EFBERO C[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001266999752 1092292510 /nfs/dbraw/zinc/29/25/10/1092292510.db2.gz XDAZYOHJCCUNDJ-KOMQPUFPSA-N 1 0 333.432 2.969 10 5 EFBERO CC[N@H+](Cc1ccc(C(=O)Nc2c([N+](=O)[O-])cnn2C)cc1)C(C)C ZINC001585612333 1092522945 /nfs/dbraw/zinc/52/29/45/1092522945.db2.gz QJAVHVXUBZYMAD-UHFFFAOYSA-N 1 0 345.403 2.811 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C1 ZINC001587016097 1092776476 /nfs/dbraw/zinc/77/64/76/1092776476.db2.gz JLRJKCDNXBISRB-AWEZNQCLSA-N 1 0 349.431 2.797 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](CC2CC2)CC1 ZINC001650651459 1093478782 /nfs/dbraw/zinc/47/87/82/1093478782.db2.gz KQKYOEIECAYUGG-UHFFFAOYSA-N 1 0 330.363 2.814 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001650725935 1093488061 /nfs/dbraw/zinc/48/80/61/1093488061.db2.gz JYSWZRQWWYDYNB-INIZCTEOSA-N 1 0 335.404 2.832 10 5 EFBERO O=C(Cc1ccco1)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001267335054 1093606889 /nfs/dbraw/zinc/60/68/89/1093606889.db2.gz LEVKJNAIZYWUGM-UHFFFAOYSA-N 1 0 343.383 2.511 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001267340966 1093619882 /nfs/dbraw/zinc/61/98/82/1093619882.db2.gz NXAODXYEHISVCS-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C(C)(F)F)CC1 ZINC001267430148 1094522160 /nfs/dbraw/zinc/52/21/60/1094522160.db2.gz LIENZGMBLCTYEP-UHFFFAOYSA-N 1 0 347.387 2.640 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001596691510 1094543379 /nfs/dbraw/zinc/54/33/79/1094543379.db2.gz HEQAUPOAJSPYJX-UHFFFAOYSA-N 1 0 342.380 2.894 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1Br ZINC000690774834 1094571103 /nfs/dbraw/zinc/57/11/03/1094571103.db2.gz NQRPYXQYCUWBIN-VXGBXAGGSA-N 1 0 341.205 2.826 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1Br ZINC000690774831 1094571936 /nfs/dbraw/zinc/57/19/36/1094571936.db2.gz NQRPYXQYCUWBIN-NEPJUHHUSA-N 1 0 341.205 2.826 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001481132673 1094906679 /nfs/dbraw/zinc/90/66/79/1094906679.db2.gz VYZBHADCSRHAOS-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267497204 1094993897 /nfs/dbraw/zinc/99/38/97/1094993897.db2.gz QAKPEBMNVJGPAE-UHFFFAOYSA-N 1 0 343.374 2.967 10 5 EFBERO CC[N@H+](CCNC(=O)c1[nH]c(C)cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001480983337 1095661770 /nfs/dbraw/zinc/66/17/70/1095661770.db2.gz XFXFEDOOWGYCRM-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CC[N@H+](CCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001480999316 1095723430 /nfs/dbraw/zinc/72/34/30/1095723430.db2.gz PNROMKFSSHNJSE-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001268228964 1096136704 /nfs/dbraw/zinc/13/67/04/1096136704.db2.gz HRLCSPSCQKGOSB-UHFFFAOYSA-N 1 0 345.374 2.938 10 5 EFBERO Cc1ncccc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001268247498 1096173951 /nfs/dbraw/zinc/17/39/51/1096173951.db2.gz MRTOQUCZRJKKBK-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+](C)C)cc1 ZINC001625918919 1096182071 /nfs/dbraw/zinc/18/20/71/1096182071.db2.gz HYUAUJPLRPJMQE-QGZVFWFLSA-N 1 0 342.399 2.518 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccs1 ZINC001268430346 1096587466 /nfs/dbraw/zinc/58/74/66/1096587466.db2.gz WJPSTUMHOORFBG-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1C ZINC001268442223 1096599898 /nfs/dbraw/zinc/59/98/98/1096599898.db2.gz QZMFNIOQPNOUMT-UHFFFAOYSA-N 1 0 336.417 2.545 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626180933 1097067081 /nfs/dbraw/zinc/06/70/81/1097067081.db2.gz SDTAQMMRFHIDIT-NFAWXSAZSA-N 1 0 346.431 2.654 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626180935 1097067171 /nfs/dbraw/zinc/06/71/71/1097067171.db2.gz SDTAQMMRFHIDIT-VNHYZAJKSA-N 1 0 346.431 2.654 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)c[nH]1 ZINC001268512995 1097105665 /nfs/dbraw/zinc/10/56/65/1097105665.db2.gz QMGYFWKKABUYFU-ONEGZZNKSA-N 1 0 348.790 2.652 10 5 EFBERO C/C(=C/C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001268515368 1097116396 /nfs/dbraw/zinc/11/63/96/1097116396.db2.gz AVUMPLFWLSISJK-FWWFRERQSA-N 1 0 329.400 2.713 10 5 EFBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268578821 1097270680 /nfs/dbraw/zinc/27/06/80/1097270680.db2.gz ZEODGWOHOGJEMF-SNAWJCMRSA-N 1 0 331.416 2.937 10 5 EFBERO Cc1cocc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268579007 1097271355 /nfs/dbraw/zinc/27/13/55/1097271355.db2.gz MVLUCIIZOQAGNG-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001268580552 1097285033 /nfs/dbraw/zinc/28/50/33/1097285033.db2.gz PBYHZYHRRIVZDD-OWOJBTEDSA-N 1 0 343.427 2.937 10 5 EFBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC001268592045 1097314574 /nfs/dbraw/zinc/31/45/74/1097314574.db2.gz VCZSUJJKKBIOOB-ARJAWSKDSA-N 1 0 341.358 2.648 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001606969201 1097484472 /nfs/dbraw/zinc/48/44/72/1097484472.db2.gz AHZIDNNQMUBLAN-XJKSGUPXSA-N 1 0 346.431 2.512 10 5 EFBERO Cc1cnccc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001268791923 1097636769 /nfs/dbraw/zinc/63/67/69/1097636769.db2.gz NOCGPJKUWIMZRD-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCc1[nH]ccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269407721 1098118306 /nfs/dbraw/zinc/11/83/06/1098118306.db2.gz QEHJSZMKVKQWCX-UHFFFAOYSA-N 1 0 342.399 2.538 10 5 EFBERO O=C(NC1(C[NH2+]CC2CCCCCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269545080 1098230342 /nfs/dbraw/zinc/23/03/42/1098230342.db2.gz CJTPWXYXJGISNG-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO CCCOCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269965435 1098549599 /nfs/dbraw/zinc/54/95/99/1098549599.db2.gz LANRUDZCAXJOGQ-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO CCc1occc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001481225417 1098602012 /nfs/dbraw/zinc/60/20/12/1098602012.db2.gz OICFEMDJNDRKRI-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO CC(C)C(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270095403 1098689318 /nfs/dbraw/zinc/68/93/18/1098689318.db2.gz SNPJSIFJSIUCTD-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC001612839730 1099079675 /nfs/dbraw/zinc/07/96/75/1099079675.db2.gz ULAKBPADGBAYBH-OAHLLOKOSA-N 1 0 331.347 2.899 10 5 EFBERO Cc1cc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC001612839729 1099079859 /nfs/dbraw/zinc/07/98/59/1099079859.db2.gz ULAKBPADGBAYBH-HNNXBMFYSA-N 1 0 331.347 2.899 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCc2cc[nH+]c(N)c2)c1 ZINC001612979212 1099086150 /nfs/dbraw/zinc/08/61/50/1099086150.db2.gz QSQLLGPQUSFIOH-UHFFFAOYSA-N 1 0 344.371 2.793 10 5 EFBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001613065256 1099088582 /nfs/dbraw/zinc/08/85/82/1099088582.db2.gz BFHZOAXSBZAUNI-UHFFFAOYSA-N 1 0 343.343 2.979 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC001613093011 1099090513 /nfs/dbraw/zinc/09/05/13/1099090513.db2.gz SLWPZEBZQWHKCU-CQSZACIVSA-N 1 0 333.338 2.894 10 5 EFBERO C/C(=C/C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785266177 1099238269 /nfs/dbraw/zinc/23/82/69/1099238269.db2.gz KMQUUVSKTFRXGA-QAALXFNPSA-N 1 0 331.416 2.846 10 5 EFBERO O=C(C[N@@H+]1CC[C@@H](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001618677105 1099312166 /nfs/dbraw/zinc/31/21/66/1099312166.db2.gz NECOWUTVQAQXIH-MRXNPFEDSA-N 1 0 343.427 2.996 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001620572353 1099359434 /nfs/dbraw/zinc/35/94/34/1099359434.db2.gz ZHWCWKGOESURQN-UHFFFAOYSA-N 1 0 347.415 2.517 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647062 1099365642 /nfs/dbraw/zinc/36/56/42/1099365642.db2.gz BOZHLWFSTFZDGO-BFQNTYOBSA-N 1 0 335.429 2.607 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647305 1099366235 /nfs/dbraw/zinc/36/62/35/1099366235.db2.gz KZMXFYZNUAGELO-SUMWQHHRSA-N 1 0 349.456 2.917 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@]2(CO)c2ccccc2)cc1 ZINC001620676220 1099370097 /nfs/dbraw/zinc/37/00/97/1099370097.db2.gz PPRATDYVNVSWGH-LJQANCHMSA-N 1 0 342.395 2.957 10 5 EFBERO CC(F)(F)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001267830748 1099502515 /nfs/dbraw/zinc/50/25/15/1099502515.db2.gz VVZWOHWTGGONCN-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO O=C(NCC1([NH2+]CC2CCCCCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270743688 1099512268 /nfs/dbraw/zinc/51/22/68/1099512268.db2.gz USGZDJCQBDPSQM-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001625594688 1099829598 /nfs/dbraw/zinc/82/95/98/1099829598.db2.gz PFKZDOXVMCCTHH-AAEUAGOBSA-N 1 0 337.395 2.893 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001626939518 1099938621 /nfs/dbraw/zinc/93/86/21/1099938621.db2.gz NWTRUDLSLDSBEX-CYBMUJFWSA-N 1 0 335.379 2.789 10 5 EFBERO Cc1cc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC001627991124 1100048960 /nfs/dbraw/zinc/04/89/60/1100048960.db2.gz YNSVPUPSLWEQOP-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001628127225 1100065359 /nfs/dbraw/zinc/06/53/59/1100065359.db2.gz ZUWQBYAWCDYXEW-ZIAGYGMSSA-N 1 0 339.823 2.780 10 5 EFBERO C[C@H](CC[NH+](C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001630038006 1100271255 /nfs/dbraw/zinc/27/12/55/1100271255.db2.gz ISLLZFIWYUEJRZ-CQSZACIVSA-N 1 0 349.431 2.552 10 5 EFBERO CCC(C)(C)[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001631654377 1100416975 /nfs/dbraw/zinc/41/69/75/1100416975.db2.gz BVQVLZQZGGTCIB-UHFFFAOYSA-N 1 0 348.447 2.730 10 5 EFBERO CCC(C)(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001631659346 1100418374 /nfs/dbraw/zinc/41/83/74/1100418374.db2.gz UMJRMIRHFUITFT-UHFFFAOYSA-N 1 0 349.431 2.615 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633420886 1100541781 /nfs/dbraw/zinc/54/17/81/1100541781.db2.gz DBYPVVIJBOGFBC-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001633924092 1100574703 /nfs/dbraw/zinc/57/47/03/1100574703.db2.gz QOISBCMYHXNOKB-LBPRGKRZSA-N 1 0 337.420 2.700 10 5 EFBERO CC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001633921440 1100574993 /nfs/dbraw/zinc/57/49/93/1100574993.db2.gz FLDAEFNZORWGLY-PQEBFOHHSA-N 1 0 346.431 2.685 10 5 EFBERO CCCN(CCC[NH+](C)C)C(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC001634367087 1100603486 /nfs/dbraw/zinc/60/34/86/1100603486.db2.gz DTSOBXOMVGKUGV-UHFFFAOYSA-N 1 0 337.420 2.797 10 5 EFBERO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001634371553 1100603873 /nfs/dbraw/zinc/60/38/73/1100603873.db2.gz FENQUVNIXGAYCW-UHFFFAOYSA-N 1 0 325.384 2.846 10 5 EFBERO C[C@H](CC[NH+](C)C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001634771930 1100629715 /nfs/dbraw/zinc/62/97/15/1100629715.db2.gz UBVFNMWUUCKMRI-SECBINFHSA-N 1 0 331.775 2.591 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001634861221 1100633277 /nfs/dbraw/zinc/63/32/77/1100633277.db2.gz NIXDVEUUGDKGMC-HOTGVXAUSA-N 1 0 333.432 2.716 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636032163 1100695726 /nfs/dbraw/zinc/69/57/26/1100695726.db2.gz IBMQDLSJJCTRCT-ZDUSSCGKSA-N 1 0 339.823 2.781 10 5 EFBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001636975651 1100747497 /nfs/dbraw/zinc/74/74/97/1100747497.db2.gz QIBKZGWIIMFJQE-UHFFFAOYSA-N 1 0 348.447 2.617 10 5 EFBERO Cc1cc(F)cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC001637352715 1100775112 /nfs/dbraw/zinc/77/51/12/1100775112.db2.gz PSPFNOJYKPNZHR-UHFFFAOYSA-N 1 0 335.379 2.743 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001637912889 1100816995 /nfs/dbraw/zinc/81/69/95/1100816995.db2.gz POSZBRGXESOIFN-SNVBAGLBSA-N 1 0 329.759 2.554 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001638777236 1100885566 /nfs/dbraw/zinc/88/55/66/1100885566.db2.gz LRZYTJYOJRBUGV-KGLIPLIRSA-N 1 0 337.445 2.775 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001639136347 1100918824 /nfs/dbraw/zinc/91/88/24/1100918824.db2.gz VZBGYMHDENNEBH-AWEZNQCLSA-N 1 0 337.445 2.777 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001639266166 1100931766 /nfs/dbraw/zinc/93/17/66/1100931766.db2.gz IEODICYGNXTBSE-GFCCVEGCSA-N 1 0 325.796 2.708 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001639267346 1100931941 /nfs/dbraw/zinc/93/19/41/1100931941.db2.gz WXKFQSIJVBSOEN-OAHLLOKOSA-N 1 0 342.399 2.603 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001639271934 1100932440 /nfs/dbraw/zinc/93/24/40/1100932440.db2.gz DVSBTLNMDUZWBN-QWHCGFSZSA-N 1 0 335.404 2.914 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001639798778 1100984744 /nfs/dbraw/zinc/98/47/44/1100984744.db2.gz YWHSDTLGTCBNHI-CABCVRRESA-N 1 0 337.395 2.511 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001639886186 1100992762 /nfs/dbraw/zinc/99/27/62/1100992762.db2.gz BKAPNJGHLWITKT-UHFFFAOYSA-N 1 0 334.420 2.943 10 5 EFBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001640437808 1101046679 /nfs/dbraw/zinc/04/66/79/1101046679.db2.gz ADXYMMIEUZSXQZ-CYBMUJFWSA-N 1 0 328.328 2.654 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001640447879 1101048081 /nfs/dbraw/zinc/04/80/81/1101048081.db2.gz DLRPITQISHVZDN-IAGOWNOFSA-N 1 0 331.416 2.930 10 5 EFBERO Nc1cc(CCCCNc2nc3sccn3c2[N+](=O)[O-])cc[nH+]1 ZINC001640464562 1101050537 /nfs/dbraw/zinc/05/05/37/1101050537.db2.gz AKONEZXOESQHDG-UHFFFAOYSA-N 1 0 332.389 2.716 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)CC)C2)cc1C ZINC001640549015 1101058639 /nfs/dbraw/zinc/05/86/39/1101058639.db2.gz LWLCEYLFIFTKJI-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640619975 1101066131 /nfs/dbraw/zinc/06/61/31/1101066131.db2.gz UEVRCJDDPOZPLX-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001640951991 1101091509 /nfs/dbraw/zinc/09/15/09/1101091509.db2.gz FKXZFTCQVKOELQ-LLVKDONJSA-N 1 0 345.321 2.780 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001642400237 1101210608 /nfs/dbraw/zinc/21/06/08/1101210608.db2.gz GDXLZTDQEDGKJG-CQSZACIVSA-N 1 0 335.452 2.809 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCC[N@@H+]3CCSC[C@@H]13)CCCC2 ZINC001643172163 1101276697 /nfs/dbraw/zinc/27/66/97/1101276697.db2.gz GYBULZKEFNYMPV-ZBFHGGJFSA-N 1 0 348.472 2.860 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001643453207 1101300141 /nfs/dbraw/zinc/30/01/41/1101300141.db2.gz AQALHSPNSDCZKU-GJZGRUSLSA-N 1 0 333.432 2.717 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001651438410 1101329904 /nfs/dbraw/zinc/32/99/04/1101329904.db2.gz JONSYJXWWDQKMW-AWEZNQCLSA-N 1 0 328.328 2.654 10 5 EFBERO CCN(CCC[NH+](C)C)c1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651752862 1101378122 /nfs/dbraw/zinc/37/81/22/1101378122.db2.gz JXGNIWVADRAJMU-UHFFFAOYSA-N 1 0 332.404 2.930 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCc3ccc4c[nH+]cn4c3)c2c1 ZINC001651925710 1101405934 /nfs/dbraw/zinc/40/59/34/1101405934.db2.gz JWBKQNOWTDASJF-UHFFFAOYSA-N 1 0 349.350 2.833 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001652315744 1101475628 /nfs/dbraw/zinc/47/56/28/1101475628.db2.gz QZRLQGBTIWBGMR-ALCCZGGFSA-N 1 0 347.415 2.925 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCC2CC3)c(C(F)(F)F)c1 ZINC001652320106 1101475924 /nfs/dbraw/zinc/47/59/24/1101475924.db2.gz BTXVCBRWTNLKNG-SNVBAGLBSA-N 1 0 330.310 2.762 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001652337434 1101479486 /nfs/dbraw/zinc/47/94/86/1101479486.db2.gz WZSXITHFTKWYID-CYBMUJFWSA-N 1 0 337.420 2.843 10 5 EFBERO Cc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c(N)c1[N+](=O)[O-] ZINC001653215320 1101596291 /nfs/dbraw/zinc/59/62/91/1101596291.db2.gz VGVLYEHHYJYAHF-MRXNPFEDSA-N 1 0 338.383 2.636 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001654581532 1101737757 /nfs/dbraw/zinc/73/77/57/1101737757.db2.gz GDXGGEAECBCRSG-UHFFFAOYSA-N 1 0 337.420 2.761 10 5 EFBERO O=C(/C=C\c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266666427 1101742657 /nfs/dbraw/zinc/74/26/57/1101742657.db2.gz YKYXGIMNYFLVJU-SRLDXXQCSA-N 1 0 341.367 2.638 10 5 EFBERO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001654793973 1101756239 /nfs/dbraw/zinc/75/62/39/1101756239.db2.gz BJOHXDNITPPERP-HNNXBMFYSA-N 1 0 333.432 2.922 10 5 EFBERO CC(C)C1CCC([NH+]2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001655217292 1101795995 /nfs/dbraw/zinc/79/59/95/1101795995.db2.gz WYRBIRSDJYZXDJ-UHFFFAOYSA-N 1 0 335.452 2.665 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCCC[N@H+]1CCO ZINC001655499875 1101835235 /nfs/dbraw/zinc/83/52/35/1101835235.db2.gz WTHUYNKDLXEOAL-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO C[N@H+](CCO)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001655845748 1101900336 /nfs/dbraw/zinc/90/03/36/1101900336.db2.gz VWCLSDLEZOUOOV-UHFFFAOYSA-N 1 0 341.717 2.603 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001655894053 1101908553 /nfs/dbraw/zinc/90/85/53/1101908553.db2.gz CRYHTZAOYIEMCU-IBGZPJMESA-N 1 0 342.395 2.957 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@]12CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001655921471 1101910250 /nfs/dbraw/zinc/91/02/50/1101910250.db2.gz BOIAYVOBDJMBKL-SFHVURJKSA-N 1 0 347.415 2.959 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3c4cccc(Cl)c4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001655955458 1101918367 /nfs/dbraw/zinc/91/83/67/1101918367.db2.gz KAUUXHKHDVVSHT-ZKYQVNSYSA-N 1 0 346.818 2.970 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001655965090 1101918445 /nfs/dbraw/zinc/91/84/45/1101918445.db2.gz HDYDXLFMCCRANF-AWEZNQCLSA-N 1 0 333.338 2.894 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656132200 1101968777 /nfs/dbraw/zinc/96/87/77/1101968777.db2.gz HEVJZRGBVQSQIJ-WBHAHGPOSA-N 1 0 331.416 2.936 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001656559408 1102122473 /nfs/dbraw/zinc/12/24/73/1102122473.db2.gz YLICLKSHOSPDPG-CRAIPNDOSA-N 1 0 347.415 2.733 10 5 EFBERO C/C(=C\C(=O)NC1CC[NH+](C(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785059508 1102224812 /nfs/dbraw/zinc/22/48/12/1102224812.db2.gz CDDBNMAVCNWKIN-WYMLVPIESA-N 1 0 331.416 2.987 10 5 EFBERO C/C(=C\C(=O)N1CC[NH+](CC(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785069654 1102353932 /nfs/dbraw/zinc/35/39/32/1102353932.db2.gz ANNCDLVDYDJCEB-NTCAYCPXSA-N 1 0 331.416 2.798 10 5 EFBERO Cc1cc(F)cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001266843150 1102410015 /nfs/dbraw/zinc/41/00/15/1102410015.db2.gz DYZWCUHABVBSKD-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO COc1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001658142129 1102439110 /nfs/dbraw/zinc/43/91/10/1102439110.db2.gz DHUHRSUBIPXYLP-XJKSGUPXSA-N 1 0 330.384 2.858 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001659013372 1102507128 /nfs/dbraw/zinc/50/71/28/1102507128.db2.gz YLSZCMZBHDJCKW-XOKHGSTOSA-N 1 0 339.395 2.857 10 5 EFBERO C[N@H+](CCNC(=O)CC1CC(F)(F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480881679 1102568612 /nfs/dbraw/zinc/56/86/12/1102568612.db2.gz IQVDBMARAPFDOC-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001659989339 1102582517 /nfs/dbraw/zinc/58/25/17/1102582517.db2.gz GPYBGGWAPLVVAD-KSSFIOAISA-N 1 0 348.399 2.639 10 5 EFBERO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001660167753 1102624264 /nfs/dbraw/zinc/62/42/64/1102624264.db2.gz YSMSJQPZMVMJCU-OAHLLOKOSA-N 1 0 333.432 2.922 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC001660477969 1102785748 /nfs/dbraw/zinc/78/57/48/1102785748.db2.gz FDYKDVHOVSOFQH-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO O=C(CC[N@@H+]1CCc2cc(O)ccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660704480 1102940174 /nfs/dbraw/zinc/94/01/74/1102940174.db2.gz ANZAZWMYUGRNRC-UHFFFAOYSA-N 1 0 341.367 2.687 10 5 EFBERO C[NH+](C)CC(C)(C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905378493 1103134496 /nfs/dbraw/zinc/13/44/96/1103134496.db2.gz LNGRQWPSAAEFJQ-UHFFFAOYSA-N 1 0 341.839 2.885 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001661462694 1103273008 /nfs/dbraw/zinc/27/30/08/1103273008.db2.gz AWTSRRPMDSBXPH-SHTZXODSSA-N 1 0 331.416 2.912 10 5 EFBERO CC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661568798 1103323065 /nfs/dbraw/zinc/32/30/65/1103323065.db2.gz HVCKNKPARLSACG-TXEJJXNPSA-N 1 0 325.434 2.829 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661577652 1103326694 /nfs/dbraw/zinc/32/66/94/1103326694.db2.gz PHHGVKPFJSASLO-GHEOONOUSA-N 1 0 337.445 2.995 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001271997722 1103419029 /nfs/dbraw/zinc/41/90/29/1103419029.db2.gz DLQZHCBQIYJNGZ-UHFFFAOYSA-N 1 0 345.399 2.629 10 5 EFBERO Cc1nn(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000905682113 1103498469 /nfs/dbraw/zinc/49/84/69/1103498469.db2.gz PGKKUVVRQIEWCJ-HNAYVOBHSA-N 1 0 349.394 2.879 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]2COC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000905729261 1103563962 /nfs/dbraw/zinc/56/39/62/1103563962.db2.gz DAUHKUJKIXCFJV-ZDUSSCGKSA-N 1 0 347.419 2.885 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CCC1(O)CCC1 ZINC000905923374 1103737747 /nfs/dbraw/zinc/73/77/47/1103737747.db2.gz JEPFJMQBUKLFRC-KRWDZBQOSA-N 1 0 336.432 2.861 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001663349589 1104065816 /nfs/dbraw/zinc/06/58/16/1104065816.db2.gz ANDRBZUDURQHLI-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CC[N@H+](CCNC(=O)c1ncccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001663367982 1104073822 /nfs/dbraw/zinc/07/38/22/1104073822.db2.gz UZTNBRBUOJXKDX-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(C)c1nocc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001663981398 1104256042 /nfs/dbraw/zinc/25/60/42/1104256042.db2.gz FTYQSVUGVMCKTL-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccsc1 ZINC001663981562 1104256060 /nfs/dbraw/zinc/25/60/60/1104256060.db2.gz LAHWQHYRMWZEBV-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001299822313 1104315806 /nfs/dbraw/zinc/31/58/06/1104315806.db2.gz OWAUWGUPYFQXCB-NEPJUHHUSA-N 1 0 343.786 2.846 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccccc1 ZINC001664328008 1104354019 /nfs/dbraw/zinc/35/40/19/1104354019.db2.gz RFQHXYMQRXWAHM-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000081290567 1104782721 /nfs/dbraw/zinc/78/27/21/1104782721.db2.gz RCLRXRTXTSCFKG-CQSZACIVSA-N 1 0 335.379 2.728 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccsc1 ZINC001482909320 1105157179 /nfs/dbraw/zinc/15/71/79/1105157179.db2.gz DBKRCTJHSWWZHE-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO CCN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924849 1105182307 /nfs/dbraw/zinc/18/23/07/1105182307.db2.gz NBQLNZMFIHYDDH-IAGOWNOFSA-N 1 0 347.459 2.587 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C)n1 ZINC001668365997 1105288221 /nfs/dbraw/zinc/28/82/21/1105288221.db2.gz PEELFGYVSHRNRX-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC(F)(F)C1 ZINC001668401480 1105292814 /nfs/dbraw/zinc/29/28/14/1105292814.db2.gz KONDEPIKPIPOLQ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001668887386 1105393109 /nfs/dbraw/zinc/39/31/09/1105393109.db2.gz JROSJISWPOSZOM-ARJAWSKDSA-N 1 0 342.399 2.616 10 5 EFBERO Cc1coc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001668988829 1105412110 /nfs/dbraw/zinc/41/21/10/1105412110.db2.gz HQFBTEYKMZOWST-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001669995256 1105566182 /nfs/dbraw/zinc/56/61/82/1105566182.db2.gz DUZHCGDEBMKSRU-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001670079498 1105577287 /nfs/dbraw/zinc/57/72/87/1105577287.db2.gz CPVLHMJPDKTCPD-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CN(CC(C)(C)C[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001674832396 1106263818 /nfs/dbraw/zinc/26/38/18/1106263818.db2.gz ROKDLFLZZGIMRQ-HZPDHXFCSA-N 1 0 337.464 2.616 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001483058487 1107795344 /nfs/dbraw/zinc/79/53/44/1107795344.db2.gz VLBXSECMNUDYKH-ARJAWSKDSA-N 1 0 329.400 2.547 10 5 EFBERO C[N@H+](CCNC(=O)CC(C)(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480861670 1108710326 /nfs/dbraw/zinc/71/03/26/1108710326.db2.gz NDIZEAIIAFPIRS-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000898847367 1109103575 /nfs/dbraw/zinc/10/35/75/1109103575.db2.gz ZVLSMIPPWFVOTG-ZIAGYGMSSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C12CCC2 ZINC000898847036 1109103604 /nfs/dbraw/zinc/10/36/04/1109103604.db2.gz XVUORRDUOFRKTD-HOTGVXAUSA-N 1 0 342.399 2.679 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898844039 1109108965 /nfs/dbraw/zinc/10/89/65/1109108965.db2.gz BYOXRADRSCIUJW-LSDHHAIUSA-N 1 0 349.456 2.919 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000899557272 1109388804 /nfs/dbraw/zinc/38/88/04/1109388804.db2.gz MXHPVBFUVOYHDU-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000899563064 1109394699 /nfs/dbraw/zinc/39/46/99/1109394699.db2.gz RTPZMSHQJSRDOE-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CC(C)=CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001483814548 1112482517 /nfs/dbraw/zinc/48/25/17/1112482517.db2.gz JVJGHKVYSMUENM-IAGOWNOFSA-N 1 0 337.464 2.759 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001484632694 1113081363 /nfs/dbraw/zinc/08/13/63/1113081363.db2.gz IUCLQNKLWUMUKZ-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC000173771784 231029183 /nfs/dbraw/zinc/02/91/83/231029183.db2.gz KJPYBGSPIVSNHN-UHFFFAOYSA-N 1 0 345.374 2.654 10 5 EFBERO O=C1COc2ccccc2N1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000174520809 231230570 /nfs/dbraw/zinc/23/05/70/231230570.db2.gz HBJUXGWZMRMKNH-UHFFFAOYSA-N 1 0 347.396 2.562 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000181531205 529588870 /nfs/dbraw/zinc/58/88/70/529588870.db2.gz ABJWIJZVXXVOJN-AWEZNQCLSA-N 1 0 331.376 2.614 10 5 EFBERO CC[C@H]([NH2+]CCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181547907 529599035 /nfs/dbraw/zinc/59/90/35/529599035.db2.gz VNVHWIMFHNJDGU-HNNXBMFYSA-N 1 0 328.434 2.849 10 5 EFBERO CCc1csc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174838655 529693172 /nfs/dbraw/zinc/69/31/72/529693172.db2.gz BGVNBJGJMAALDZ-LBPRGKRZSA-N 1 0 335.433 2.690 10 5 EFBERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@@H]21 ZINC000154178686 530064219 /nfs/dbraw/zinc/06/42/19/530064219.db2.gz UJJMLNCEDCJCSC-SJCJKPOMSA-N 1 0 342.399 2.632 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000178316237 232135356 /nfs/dbraw/zinc/13/53/56/232135356.db2.gz UBVLAEXZLIQQIH-OAHLLOKOSA-N 1 0 330.388 2.773 10 5 EFBERO Cc1ccc(C(C)C)c(OCC(=O)OCC[N+]2(C)CCOCC2)c1 ZINC000003624083 210069318 /nfs/dbraw/zinc/06/93/18/210069318.db2.gz NZSYGRUWHNPQNX-UHFFFAOYSA-N 1 0 336.452 2.517 10 5 EFBERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003415201 210032778 /nfs/dbraw/zinc/03/27/78/210032778.db2.gz DIUMOGYJGCKTDU-HNNXBMFYSA-N 1 0 341.367 2.679 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067270998 215130558 /nfs/dbraw/zinc/13/05/58/215130558.db2.gz YNQJSTJSISFADZ-LLVKDONJSA-N 1 0 325.434 2.815 10 5 EFBERO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000068442665 215308559 /nfs/dbraw/zinc/30/85/59/215308559.db2.gz ILOQZEUBKGJWBZ-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000183330971 235011935 /nfs/dbraw/zinc/01/19/35/235011935.db2.gz VJRVHAKFMAFYBT-HNNXBMFYSA-N 1 0 341.415 2.821 10 5 EFBERO CCC[C@](C)([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037622520 213161870 /nfs/dbraw/zinc/16/18/70/213161870.db2.gz QYTRXMMIBQWVOD-LBPRGKRZSA-N 1 0 330.182 2.813 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178722264 239433397 /nfs/dbraw/zinc/43/33/97/239433397.db2.gz FZULWLVERZFFFM-UHFFFAOYSA-N 1 0 348.447 2.857 10 5 EFBERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193387581 240141767 /nfs/dbraw/zinc/14/17/67/240141767.db2.gz TWIYHELAHPPRCT-UHFFFAOYSA-N 1 0 342.355 2.544 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245575739 243129348 /nfs/dbraw/zinc/12/93/48/243129348.db2.gz FJQBUTPRRSAUIN-TZMCWYRMSA-N 1 0 332.404 2.912 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246117695 243199085 /nfs/dbraw/zinc/19/90/85/243199085.db2.gz KDOVUTCLZBRITH-HIFRSBDPSA-N 1 0 333.432 2.979 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414517916 244208194 /nfs/dbraw/zinc/20/81/94/244208194.db2.gz AIRZVPDTVNGQPG-KRWDZBQOSA-N 1 0 343.358 2.937 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414565703 244234155 /nfs/dbraw/zinc/23/41/55/244234155.db2.gz FHIGVAPGJSELAY-CZUORRHYSA-N 1 0 344.415 2.636 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCNCc1cccnc1 ZINC000414886275 244391295 /nfs/dbraw/zinc/39/12/95/244391295.db2.gz WCHHMKJBFRDMJC-YWEYNIOJSA-N 1 0 326.400 2.773 10 5 EFBERO C[C@H]1C[NH2+]CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943850 244397974 /nfs/dbraw/zinc/39/79/74/244397974.db2.gz OLEWIGDODIRBGR-NHYWBVRUSA-N 1 0 332.429 2.806 10 5 EFBERO Cc1c(Br)c(N2CC[C@H](C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000261634218 291482744 /nfs/dbraw/zinc/48/27/44/291482744.db2.gz DQMFINSGMJCUJH-WPRPVWTQSA-N 1 0 343.225 2.624 10 5 EFBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000419002670 245327713 /nfs/dbraw/zinc/32/77/13/245327713.db2.gz MMVLGXIESTVEPG-WDEREUQCSA-N 1 0 347.337 2.505 10 5 EFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419002667 245329317 /nfs/dbraw/zinc/32/93/17/245329317.db2.gz MMVLGXIESTVEPG-MNOVXSKESA-N 1 0 347.337 2.505 10 5 EFBERO C[C@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419285797 245368223 /nfs/dbraw/zinc/36/82/23/245368223.db2.gz DREJKECPBKKEQS-ZDUSSCGKSA-N 1 0 346.431 2.528 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000421884368 246153066 /nfs/dbraw/zinc/15/30/66/246153066.db2.gz FCQSIGHGKFPSPI-UHFFFAOYSA-N 1 0 331.416 2.958 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)o2)c1 ZINC000425358748 247058103 /nfs/dbraw/zinc/05/81/03/247058103.db2.gz RJDGMIMZVCQBDF-ZDUSSCGKSA-N 1 0 339.355 2.962 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425541922 247126128 /nfs/dbraw/zinc/12/61/28/247126128.db2.gz NBPPQJUEYDYRIZ-KRWDZBQOSA-N 1 0 334.416 2.642 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433816918 248091903 /nfs/dbraw/zinc/09/19/03/248091903.db2.gz AUOCNHWCVISRNM-AWEZNQCLSA-N 1 0 333.388 2.810 10 5 EFBERO CCOC(=O)CC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000434614603 248168823 /nfs/dbraw/zinc/16/88/23/248168823.db2.gz AUSJUCVTYMFSFY-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438478868 249767548 /nfs/dbraw/zinc/76/75/48/249767548.db2.gz AGGWFJKFJAFNNM-CHWSQXEVSA-N 1 0 335.404 2.908 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)nc2c1 ZINC000441212577 250009015 /nfs/dbraw/zinc/00/90/15/250009015.db2.gz UIKDWWBAYLIPGV-STQMWFEESA-N 1 0 331.372 2.985 10 5 EFBERO COc1cccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000444178136 250269289 /nfs/dbraw/zinc/26/92/89/250269289.db2.gz BHTBDKJAFVGKJN-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000444144674 250264055 /nfs/dbraw/zinc/26/40/55/250264055.db2.gz NHPGQKIIYGUYNV-UHFFFAOYSA-N 1 0 349.431 2.797 10 5 EFBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449430731 251024247 /nfs/dbraw/zinc/02/42/47/251024247.db2.gz WNMYGEJNYMIETO-PBHICJAKSA-N 1 0 344.415 2.588 10 5 EFBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449430733 251024595 /nfs/dbraw/zinc/02/45/95/251024595.db2.gz WNMYGEJNYMIETO-WMLDXEAASA-N 1 0 344.415 2.588 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000267440410 251059080 /nfs/dbraw/zinc/05/90/80/251059080.db2.gz YROUQKYSNGCHLO-GHMZBOCLSA-N 1 0 325.796 2.803 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449586551 251074458 /nfs/dbraw/zinc/07/44/58/251074458.db2.gz GBXLERYHKAFFTN-WMLDXEAASA-N 1 0 330.388 2.647 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000449663831 251105454 /nfs/dbraw/zinc/10/54/54/251105454.db2.gz ASFYARSLBUXLRR-UHFFFAOYSA-N 1 0 334.372 2.569 10 5 EFBERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676599 251113586 /nfs/dbraw/zinc/11/35/86/251113586.db2.gz IJLPYZUWBSHBMR-SUMWQHHRSA-N 1 0 346.383 2.827 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664802 251105893 /nfs/dbraw/zinc/10/58/93/251105893.db2.gz BURDROUXXOPMPM-LPQXIQMLSA-N 1 0 330.306 2.853 10 5 EFBERO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])nc1 ZINC000450378993 251367097 /nfs/dbraw/zinc/36/70/97/251367097.db2.gz NKOQBAKZCPIORD-UHFFFAOYSA-N 1 0 336.342 2.836 10 5 EFBERO Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347091 251355187 /nfs/dbraw/zinc/35/51/87/251355187.db2.gz GVMNLPBMUGPTGP-DOMZBBRYSA-N 1 0 347.444 2.672 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CF)CCOCC2)n1 ZINC000453306882 252031300 /nfs/dbraw/zinc/03/13/00/252031300.db2.gz JVBONAIURZNCEA-ZIAGYGMSSA-N 1 0 340.399 2.631 10 5 EFBERO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268588811 252047599 /nfs/dbraw/zinc/04/75/99/252047599.db2.gz RVFVEIYSNARMPA-INIZCTEOSA-N 1 0 339.395 2.941 10 5 EFBERO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454347288 252229400 /nfs/dbraw/zinc/22/94/00/252229400.db2.gz SJUDGEXLQDMCJT-UHFFFAOYSA-N 1 0 336.436 2.896 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)nc1 ZINC000097055651 218936509 /nfs/dbraw/zinc/93/65/09/218936509.db2.gz IFPCLSHZMRNVBJ-INIZCTEOSA-N 1 0 338.411 2.842 10 5 EFBERO O=[N+]([O-])c1cnccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000357061664 285187868 /nfs/dbraw/zinc/18/78/68/285187868.db2.gz ZLUZYPYJJMHOPT-UHFFFAOYSA-N 1 0 330.363 2.841 10 5 EFBERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000171611406 533244003 /nfs/dbraw/zinc/24/40/03/533244003.db2.gz FIMHYLWCWCKNMH-RDTXWAMCSA-N 1 0 341.411 2.945 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875578 141356436 /nfs/dbraw/zinc/35/64/36/141356436.db2.gz MTZWEWLSOVHIEM-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692527 142348582 /nfs/dbraw/zinc/34/85/82/142348582.db2.gz JTBXTZQHLNZAGD-MLGOLLRUSA-N 1 0 332.404 2.534 10 5 EFBERO Cn1c2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2sc1=O ZINC000341295514 145028081 /nfs/dbraw/zinc/02/80/81/145028081.db2.gz XXSHETHEFYEYTO-UHFFFAOYSA-N 1 0 343.408 2.841 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342284349 145093266 /nfs/dbraw/zinc/09/32/66/145093266.db2.gz QQAGWZCRUAWDBU-INIZCTEOSA-N 1 0 329.400 2.979 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912312 145219995 /nfs/dbraw/zinc/21/99/95/145219995.db2.gz CCCMOIPNRQENTD-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CC=CCC1 ZINC000344076922 145362966 /nfs/dbraw/zinc/36/29/66/145362966.db2.gz WFMSIMWSWVNZJU-AWEZNQCLSA-N 1 0 329.400 2.772 10 5 EFBERO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351526067 146138375 /nfs/dbraw/zinc/13/83/75/146138375.db2.gz VUTMJVXLGGHABE-GJZGRUSLSA-N 1 0 346.435 2.917 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352127703 146296910 /nfs/dbraw/zinc/29/69/10/146296910.db2.gz RIRUQKVHBLYHSW-KRWDZBQOSA-N 1 0 333.432 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352874199 146337426 /nfs/dbraw/zinc/33/74/26/146337426.db2.gz YVYNNDHEZCUJDE-UHFFFAOYSA-N 1 0 339.395 2.860 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCOCCc1ccccc1)CC2 ZINC000352996953 146370611 /nfs/dbraw/zinc/37/06/11/146370611.db2.gz JSPGFFJTDNBRCZ-UHFFFAOYSA-N 1 0 341.411 2.997 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000359795550 148191801 /nfs/dbraw/zinc/19/18/01/148191801.db2.gz IKYLKYRKSBMMJE-AWEZNQCLSA-N 1 0 336.338 2.814 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000359851684 148207181 /nfs/dbraw/zinc/20/71/81/148207181.db2.gz GDRKFPKDRFIDNC-UHFFFAOYSA-N 1 0 347.341 2.546 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000364747060 149233953 /nfs/dbraw/zinc/23/39/53/149233953.db2.gz XJLFBKNUHFWHBV-IAQYHMDHSA-N 1 0 337.807 2.852 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000368429426 150115382 /nfs/dbraw/zinc/11/53/82/150115382.db2.gz NZHYMUYOBKHJRY-OSRDXIQISA-N 1 0 347.415 2.653 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000369133828 150282465 /nfs/dbraw/zinc/28/24/65/150282465.db2.gz HLQAJRWWVDJMOX-MRXNPFEDSA-N 1 0 330.388 2.572 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000372861730 151072458 /nfs/dbraw/zinc/07/24/58/151072458.db2.gz YGHRVISJZHJHSY-GXTWGEPZSA-N 1 0 337.807 2.739 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC12CCC2 ZINC000373103510 151114939 /nfs/dbraw/zinc/11/49/39/151114939.db2.gz HCSRPUPLHNTYPY-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO O=C1CCc2cc([N+](=O)[O-])c(NC3CC([NH+]4CCCCC4)C3)cc2N1 ZINC000373685988 151210215 /nfs/dbraw/zinc/21/02/15/151210215.db2.gz VVRXMOTVNBJRAM-UHFFFAOYSA-N 1 0 344.415 2.908 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000373911899 151247978 /nfs/dbraw/zinc/24/79/78/151247978.db2.gz SSCZVLZMMYTJFW-CQSZACIVSA-N 1 0 342.355 2.963 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCn2cc(C)nc2C1 ZINC000374072772 151279347 /nfs/dbraw/zinc/27/93/47/151279347.db2.gz SZQWIXGYLNANOV-UHFFFAOYSA-N 1 0 345.359 2.546 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000408041148 152145647 /nfs/dbraw/zinc/14/56/47/152145647.db2.gz BJRBVJUTIWRQIO-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124040368 222368942 /nfs/dbraw/zinc/36/89/42/222368942.db2.gz TXTYXTPCOASHKQ-OAHLLOKOSA-N 1 0 335.448 2.946 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124234647 222396321 /nfs/dbraw/zinc/39/63/21/222396321.db2.gz AKOGSLIZMIAQOT-JQWIXIFHSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000171611401 227172707 /nfs/dbraw/zinc/17/27/07/227172707.db2.gz FIMHYLWCWCKNMH-KBXCAEBGSA-N 1 0 341.411 2.945 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171640514 227190142 /nfs/dbraw/zinc/19/01/42/227190142.db2.gz YYLYXTSDRGACPK-OAHLLOKOSA-N 1 0 342.399 2.803 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171642043 227192788 /nfs/dbraw/zinc/19/27/88/227192788.db2.gz IIHNSJMQFVANNA-OAHLLOKOSA-N 1 0 342.399 2.803 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000052131342 292638326 /nfs/dbraw/zinc/63/83/26/292638326.db2.gz WNKFXOMYLLHCCQ-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279754880 273249742 /nfs/dbraw/zinc/24/97/42/273249742.db2.gz VCBNWMICNRWSDW-SNVBAGLBSA-N 1 0 345.802 2.776 10 5 EFBERO CO[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190950111 265245075 /nfs/dbraw/zinc/24/50/75/265245075.db2.gz CYMTXNDZTFURGD-GDBMZVCRSA-N 1 0 330.388 2.652 10 5 EFBERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194519505 265374776 /nfs/dbraw/zinc/37/47/76/265374776.db2.gz VJOXFQJCRUXOIB-GFCCVEGCSA-N 1 0 340.383 2.979 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000271698192 266044130 /nfs/dbraw/zinc/04/41/30/266044130.db2.gz GTXOGYKTVWEJCW-OLZOCXBDSA-N 1 0 334.347 2.824 10 5 EFBERO CC[C@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271944508 266103173 /nfs/dbraw/zinc/10/31/73/266103173.db2.gz XDSROJGMVMSKST-INIZCTEOSA-N 1 0 332.404 2.607 10 5 EFBERO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000272761427 266374716 /nfs/dbraw/zinc/37/47/16/266374716.db2.gz ALTIWTNLPXRDEX-GFCCVEGCSA-N 1 0 336.392 2.599 10 5 EFBERO CC[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778244 266379186 /nfs/dbraw/zinc/37/91/86/266379186.db2.gz RCILCKIAMKEGMD-GUYCJALGSA-N 1 0 346.431 2.996 10 5 EFBERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000274675933 266689605 /nfs/dbraw/zinc/68/96/05/266689605.db2.gz UXCIOCODBOLJCX-UHFFFAOYSA-N 1 0 334.298 2.733 10 5 EFBERO Cc1sc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276809548 267052651 /nfs/dbraw/zinc/05/26/51/267052651.db2.gz ZNNQBBYZPWAEQS-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276924166 267078581 /nfs/dbraw/zinc/07/85/81/267078581.db2.gz NAHRYYBOHQNYIC-IJLUTSLNSA-N 1 0 331.376 2.897 10 5 EFBERO CCNC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000277140174 267120363 /nfs/dbraw/zinc/12/03/63/267120363.db2.gz DNXYLFBUGATIIC-UHFFFAOYSA-N 1 0 325.796 2.644 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552511 267195195 /nfs/dbraw/zinc/19/51/95/267195195.db2.gz SUYYBXNIBGPJTP-GXSJLCMTSA-N 1 0 346.330 2.719 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839750 267276819 /nfs/dbraw/zinc/27/68/19/267276819.db2.gz LXHIKNXEGUPPHP-KWBADKCTSA-N 1 0 341.795 2.590 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(NCC3([NH+]4CCCC4)CCOCC3)nc2c1 ZINC000278163082 267357302 /nfs/dbraw/zinc/35/73/02/267357302.db2.gz APXSDCMDQLVDAZ-UHFFFAOYSA-N 1 0 345.403 2.528 10 5 EFBERO C[NH+]1CCC([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000278604879 267495935 /nfs/dbraw/zinc/49/59/35/267495935.db2.gz ZRKBEQRQBTVHIH-ZDUSSCGKSA-N 1 0 329.404 2.639 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278659420 267512884 /nfs/dbraw/zinc/51/28/84/267512884.db2.gz HRQZSHWLDXIZJA-DGCLKSJQSA-N 1 0 348.321 2.609 10 5 EFBERO CC[N@H+](CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000276624101 273138926 /nfs/dbraw/zinc/13/89/26/273138926.db2.gz RKUPUYLLFULXCG-UHFFFAOYSA-N 1 0 325.796 2.771 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277411795 273153603 /nfs/dbraw/zinc/15/36/03/273153603.db2.gz ZJOJHLCCVWRZPP-VUSFMPOISA-N 1 0 331.416 2.941 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279124428 273179460 /nfs/dbraw/zinc/17/94/60/273179460.db2.gz WDNSUWSQCYICKB-LBPRGKRZSA-N 1 0 325.796 2.771 10 5 EFBERO CC[NH+](CC)[C@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279710383 273244620 /nfs/dbraw/zinc/24/46/20/273244620.db2.gz SLDKPPRMHBRDHD-PBHICJAKSA-N 1 0 345.447 2.738 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280280988 273310873 /nfs/dbraw/zinc/31/08/73/273310873.db2.gz DOOBRRSRHLHYGK-QWHCGFSZSA-N 1 0 335.404 2.548 10 5 EFBERO CC1CC[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280671346 273353919 /nfs/dbraw/zinc/35/39/19/273353919.db2.gz CKKAKBGPNMOANR-UHFFFAOYSA-N 1 0 345.403 2.778 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282604078 273587579 /nfs/dbraw/zinc/58/75/79/273587579.db2.gz DDLQIIXUWTYILI-WBVHZDCISA-N 1 0 334.416 2.561 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282667727 273597491 /nfs/dbraw/zinc/59/74/91/273597491.db2.gz JFZZPNZISNLMEZ-RNHYTNQLSA-N 1 0 346.427 2.765 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485482 273721328 /nfs/dbraw/zinc/72/13/28/273721328.db2.gz XMNWSHSFVRTPKC-YSVLISHTSA-N 1 0 334.416 2.813 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000360157500 274004684 /nfs/dbraw/zinc/00/46/84/274004684.db2.gz NZHFDVZUECJODR-INIZCTEOSA-N 1 0 335.404 2.914 10 5 EFBERO COC(=O)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC000286443604 274202502 /nfs/dbraw/zinc/20/25/02/274202502.db2.gz RNUVPJWYRASBHN-NNQSOWQGSA-N 1 0 347.415 2.751 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802161 274256994 /nfs/dbraw/zinc/25/69/94/274256994.db2.gz MWUHTRGPVVTWMX-UKRRQHHQSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289364 274397388 /nfs/dbraw/zinc/39/73/88/274397388.db2.gz OQEWZWMPCXTWOF-UDVXPWBQSA-N 1 0 343.427 2.916 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000288412032 274587645 /nfs/dbraw/zinc/58/76/45/274587645.db2.gz AMQZGXBITMLGPW-AWEZNQCLSA-N 1 0 332.331 2.836 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3NCC4)CC2)n1 ZINC000262045466 275040526 /nfs/dbraw/zinc/04/05/26/275040526.db2.gz YYEALKWKEIWRQO-UHFFFAOYSA-N 1 0 327.388 2.596 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CC[NH2+]C1 ZINC000052093932 275041538 /nfs/dbraw/zinc/04/15/38/275041538.db2.gz CKKSQVQJKDCHAA-SECBINFHSA-N 1 0 337.177 2.679 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184228727 276183207 /nfs/dbraw/zinc/18/32/07/276183207.db2.gz UHHDSUNKWMMVGH-ZDUSSCGKSA-N 1 0 325.384 2.659 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192983995 276694820 /nfs/dbraw/zinc/69/48/20/276694820.db2.gz HUHIMDVDZKNTAN-XJKSGUPXSA-N 1 0 341.415 2.731 10 5 EFBERO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362358518 277062299 /nfs/dbraw/zinc/06/22/99/277062299.db2.gz KAAUGJFNTALQLD-CQSZACIVSA-N 1 0 330.363 2.724 10 5 EFBERO C[NH+]1CCN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CC1 ZINC000036398946 277109467 /nfs/dbraw/zinc/10/94/67/277109467.db2.gz DZRLVSOGARUEGQ-UHFFFAOYSA-N 1 0 348.406 2.570 10 5 EFBERO CN1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424327792 277163194 /nfs/dbraw/zinc/16/31/94/277163194.db2.gz OUCOLDVPVCOJBL-LRDDRELGSA-N 1 0 331.416 2.775 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360242626 278076728 /nfs/dbraw/zinc/07/67/28/278076728.db2.gz QDVQNWHUTBJFCR-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000159174314 278380267 /nfs/dbraw/zinc/38/02/67/278380267.db2.gz ZGNHQCNRHBXACF-RDTXWAMCSA-N 1 0 341.411 2.945 10 5 EFBERO Cc1c(Br)c(N2CC[C@H]([NH3+])C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000261758763 278582522 /nfs/dbraw/zinc/58/25/22/278582522.db2.gz NNIFYIWIBDBXKP-JTQLQIEISA-N 1 0 343.225 2.624 10 5 EFBERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000159173881 279500778 /nfs/dbraw/zinc/50/07/78/279500778.db2.gz ZGNHQCNRHBXACF-KSSFIOAISA-N 1 0 341.411 2.945 10 5 EFBERO Cc1c(Br)c(N2CC[C@@H](C)C[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000235382452 280198576 /nfs/dbraw/zinc/19/85/76/280198576.db2.gz DQMFINSGMJCUJH-PSASIEDQSA-N 1 0 343.225 2.624 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245524384 281022676 /nfs/dbraw/zinc/02/26/76/281022676.db2.gz NMVKYIIXOKHCQF-MPGHIAIKSA-N 1 0 333.432 2.617 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@H]2CCCCN2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271314 281358080 /nfs/dbraw/zinc/35/80/80/281358080.db2.gz TVNDAAMODYHXEC-QAPCUYQASA-N 1 0 347.459 2.754 10 5 EFBERO C[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000371528344 290276532 /nfs/dbraw/zinc/27/65/32/290276532.db2.gz LCHOWKGOEIPVOA-HZPDHXFCSA-N 1 0 343.358 2.562 10 5 EFBERO C[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000126661140 293046578 /nfs/dbraw/zinc/04/65/78/293046578.db2.gz AJLLYFMVKUEINY-UHFFFAOYSA-N 1 0 348.447 2.701 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000130507307 293168243 /nfs/dbraw/zinc/16/82/43/293168243.db2.gz KNSWLYXTMJZXSG-UHFFFAOYSA-N 1 0 349.431 2.600 10 5 EFBERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040703 293358051 /nfs/dbraw/zinc/35/80/51/293358051.db2.gz OYCOUAFSPHZNFI-QLFBSQMISA-N 1 0 345.443 2.846 10 5 EFBERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579701 294126127 /nfs/dbraw/zinc/12/61/27/294126127.db2.gz PJIVFLOVHCGARQ-UTLUCORTSA-N 1 0 329.784 2.588 10 5 EFBERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636652 294142175 /nfs/dbraw/zinc/14/21/75/294142175.db2.gz VNMJDJRPURCZPC-BBBLOLIVSA-N 1 0 329.784 2.588 10 5 EFBERO C[NH+](C)C1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292100521 294579183 /nfs/dbraw/zinc/57/91/83/294579183.db2.gz ZFXGQAWCIRBPIL-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000294002230 295096601 /nfs/dbraw/zinc/09/66/01/295096601.db2.gz XJXLTWDBBKTWSM-MRXNPFEDSA-N 1 0 337.807 2.724 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294543526 295183562 /nfs/dbraw/zinc/18/35/62/295183562.db2.gz QKOFBLXMNKXGQL-CQSZACIVSA-N 1 0 347.415 2.548 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294943778 295249032 /nfs/dbraw/zinc/24/90/32/295249032.db2.gz YCGDEDPDBXZBTG-UHFFFAOYSA-N 1 0 333.310 2.685 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000295058690 295262897 /nfs/dbraw/zinc/26/28/97/295262897.db2.gz BEWYBOBTBCJCSU-INIZCTEOSA-N 1 0 339.367 2.756 10 5 EFBERO C[C@]1(F)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000295283739 295293097 /nfs/dbraw/zinc/29/30/97/295293097.db2.gz DHPCPCGPLDOBBI-HNNXBMFYSA-N 1 0 327.331 2.887 10 5 EFBERO COC(=O)c1cc(C)nc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000295660358 295356390 /nfs/dbraw/zinc/35/63/90/295356390.db2.gz ASEFRJYWLQSPTC-UHFFFAOYSA-N 1 0 348.403 2.514 10 5 EFBERO COC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC000295866656 295388830 /nfs/dbraw/zinc/38/88/30/295388830.db2.gz CHUIGVOLYFHNSD-AGUYFDCRSA-N 1 0 333.388 2.727 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000178207173 310777952 /nfs/dbraw/zinc/77/79/52/310777952.db2.gz HGKVWIPJNCSVQB-LLVKDONJSA-N 1 0 343.339 2.613 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000297186351 310863358 /nfs/dbraw/zinc/86/33/58/310863358.db2.gz FCLSGJKNLIHLKQ-NWDGAFQWSA-N 1 0 349.412 2.654 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298284463 310975007 /nfs/dbraw/zinc/97/50/07/310975007.db2.gz BZTBUTUTSAHQBK-AWEZNQCLSA-N 1 0 333.413 2.997 10 5 EFBERO COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299377170 311078336 /nfs/dbraw/zinc/07/83/36/311078336.db2.gz GHCSUGMVUXGNNT-DZGCQCFKSA-N 1 0 346.383 2.694 10 5 EFBERO C[C@@H]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000299677469 311110090 /nfs/dbraw/zinc/11/00/90/311110090.db2.gz UPJFGZSPHNYESA-LLVKDONJSA-N 1 0 346.412 2.999 10 5 EFBERO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000300488192 311116116 /nfs/dbraw/zinc/11/61/16/311116116.db2.gz OOBZHQBJVQUKEN-ZJUUUORDSA-N 1 0 328.210 2.839 10 5 EFBERO C[N@H+](CCO)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000301307112 311130256 /nfs/dbraw/zinc/13/02/56/311130256.db2.gz ZBQNCGZBSSCOJC-UHFFFAOYSA-N 1 0 325.384 2.773 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000301345075 311132426 /nfs/dbraw/zinc/13/24/26/311132426.db2.gz KCFQCIDMMAZLLB-RYUDHWBXSA-N 1 0 341.383 2.654 10 5 EFBERO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301472612 311139131 /nfs/dbraw/zinc/13/91/31/311139131.db2.gz LCHVRYNNILLLKV-ZVZYQTTQSA-N 1 0 331.416 2.662 10 5 EFBERO CCCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301694100 311152742 /nfs/dbraw/zinc/15/27/42/311152742.db2.gz OVOUZDMYRNMSCD-UHFFFAOYSA-N 1 0 348.403 2.602 10 5 EFBERO Cc1ccc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301805100 311159344 /nfs/dbraw/zinc/15/93/44/311159344.db2.gz DWCDCTKFMMCBOD-MRXNPFEDSA-N 1 0 332.448 2.510 10 5 EFBERO CC(C)CC[NH+]1CCC(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301970738 311169688 /nfs/dbraw/zinc/16/96/88/311169688.db2.gz RQEXZJQGBQMWLM-UHFFFAOYSA-N 1 0 346.435 2.808 10 5 EFBERO COCC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000301979262 311169833 /nfs/dbraw/zinc/16/98/33/311169833.db2.gz AJWJHKUCFRIZRY-AWEZNQCLSA-N 1 0 344.415 2.608 10 5 EFBERO Cc1cccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302523150 311192599 /nfs/dbraw/zinc/19/25/99/311192599.db2.gz YOYLVGCAKMZXAD-MRXNPFEDSA-N 1 0 333.432 2.984 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326440017 311244101 /nfs/dbraw/zinc/24/41/01/311244101.db2.gz ZHGJYEHVZYZRBT-INIZCTEOSA-N 1 0 330.384 2.741 10 5 EFBERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330512795 311320391 /nfs/dbraw/zinc/32/03/91/311320391.db2.gz JWTKCNBVVUSYED-CQSZACIVSA-N 1 0 333.432 2.968 10 5 EFBERO Cc1sc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000331295572 311365766 /nfs/dbraw/zinc/36/57/66/311365766.db2.gz NOMOUZJUHGQJFH-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000397248200 311959494 /nfs/dbraw/zinc/95/94/94/311959494.db2.gz ODXUOHLKZGNOOM-GFCCVEGCSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000415058374 312085604 /nfs/dbraw/zinc/08/56/04/312085604.db2.gz VRZRBXAZFXQNPK-MEBBXXQBSA-N 1 0 329.347 2.613 10 5 EFBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447800 312140392 /nfs/dbraw/zinc/14/03/92/312140392.db2.gz UOAKBLUONDLGSI-KWQFWETISA-N 1 0 346.309 2.733 10 5 EFBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447802 312140601 /nfs/dbraw/zinc/14/06/01/312140601.db2.gz UOAKBLUONDLGSI-LDYMZIIASA-N 1 0 346.309 2.733 10 5 EFBERO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700891 312166223 /nfs/dbraw/zinc/16/62/23/312166223.db2.gz NIOPPSMUTPGQGF-MRVPVSSYSA-N 1 0 345.197 2.606 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417818190 312274836 /nfs/dbraw/zinc/27/48/36/312274836.db2.gz AQNDBILGRQCIAR-XJKSGUPXSA-N 1 0 342.399 2.963 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCCCC1 ZINC000418289734 312357618 /nfs/dbraw/zinc/35/76/18/312357618.db2.gz YOFIDRQOYOURPZ-UHFFFAOYSA-N 1 0 334.420 2.788 10 5 EFBERO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000418472868 312359305 /nfs/dbraw/zinc/35/93/05/312359305.db2.gz XEOZNSVGXFAHQT-ZDUSSCGKSA-N 1 0 342.399 2.956 10 5 EFBERO CSc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423972361 312492299 /nfs/dbraw/zinc/49/22/99/312492299.db2.gz ZLLROSODIQDOAE-ZIAGYGMSSA-N 1 0 349.456 2.921 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CO)CC3(CCC3)C2)n1 ZINC000433062435 312594363 /nfs/dbraw/zinc/59/43/63/312594363.db2.gz TWSIMXWLPHRQDF-LSDHHAIUSA-N 1 0 348.447 2.807 10 5 EFBERO CNC(=O)C[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453389693 312897066 /nfs/dbraw/zinc/89/70/66/312897066.db2.gz XMEOQEKCAKAZCT-FZKQIMNGSA-N 1 0 327.384 2.798 10 5 EFBERO CCN(CC)[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475330888 313221389 /nfs/dbraw/zinc/22/13/89/313221389.db2.gz DMQHSRHRUIJLQT-ZIAGYGMSSA-N 1 0 336.436 2.632 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3cccc(F)c3F)CC2)n1 ZINC000488802231 313514394 /nfs/dbraw/zinc/51/43/94/313514394.db2.gz WOTGITPNLUJXPR-UHFFFAOYSA-N 1 0 336.342 2.949 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253041 314292712 /nfs/dbraw/zinc/29/27/12/314292712.db2.gz JGDWRGKDYAHDEK-BBRMVZONSA-N 1 0 346.431 2.842 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494630574 314615931 /nfs/dbraw/zinc/61/59/31/314615931.db2.gz JWZSICMKAKPARD-AWEZNQCLSA-N 1 0 349.412 2.617 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494643689 314617963 /nfs/dbraw/zinc/61/79/63/314617963.db2.gz TVFSGUDJTMFCFU-CQSZACIVSA-N 1 0 349.412 2.535 10 5 EFBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494985530 314654634 /nfs/dbraw/zinc/65/46/34/314654634.db2.gz KVSBZIWYCLFNND-LBPRGKRZSA-N 1 0 345.321 2.760 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000519759509 315908200 /nfs/dbraw/zinc/90/82/00/315908200.db2.gz KDWOGNXJUQRQNH-INIZCTEOSA-N 1 0 334.416 2.895 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337635 316154796 /nfs/dbraw/zinc/15/47/96/316154796.db2.gz KCYQBKSISJCDQW-ZIAGYGMSSA-N 1 0 334.420 2.657 10 5 EFBERO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000526952016 316310001 /nfs/dbraw/zinc/31/00/01/316310001.db2.gz OGCODPFNUCTWRJ-GUYCJALGSA-N 1 0 342.399 2.719 10 5 EFBERO C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000527270431 316360336 /nfs/dbraw/zinc/36/03/36/316360336.db2.gz DPBQIEAMHXGMKD-KTAKPFMOSA-N 1 0 331.416 2.831 10 5 EFBERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633750 317293931 /nfs/dbraw/zinc/29/39/31/317293931.db2.gz JXDLQNAYWCNZPL-AWEZNQCLSA-N 1 0 346.412 2.618 10 5 EFBERO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531887886 317328462 /nfs/dbraw/zinc/32/84/62/317328462.db2.gz BCBRBAQCBUACFN-KRWDZBQOSA-N 1 0 340.383 2.557 10 5 EFBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397363 317395589 /nfs/dbraw/zinc/39/55/89/317395589.db2.gz DQBOWZKCJYOTFO-UHFFFAOYSA-N 1 0 340.383 2.516 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000547853295 318048802 /nfs/dbraw/zinc/04/88/02/318048802.db2.gz RQPRMLAVBUXJMI-UHFFFAOYSA-N 1 0 343.431 2.779 10 5 EFBERO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000551995660 318234778 /nfs/dbraw/zinc/23/47/78/318234778.db2.gz TUAPCOANHFHHBE-UHFFFAOYSA-N 1 0 332.356 2.957 10 5 EFBERO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c[nH+]cn2c1 ZINC000555105931 318345916 /nfs/dbraw/zinc/34/59/16/318345916.db2.gz HEWMQGSRCOKBOM-UHFFFAOYSA-N 1 0 349.350 2.696 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000562299444 318632067 /nfs/dbraw/zinc/63/20/67/318632067.db2.gz ZRSUMHMNICGEAY-AWEZNQCLSA-N 1 0 344.371 2.571 10 5 EFBERO O=C(CC[NH2+]CC1(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000563011317 318727766 /nfs/dbraw/zinc/72/77/66/318727766.db2.gz MAQXWWJGEYJEPE-UHFFFAOYSA-N 1 0 331.294 2.856 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(CO)c(F)c2)n1 ZINC000564705550 318883022 /nfs/dbraw/zinc/88/30/22/318883022.db2.gz GNJRTJFOKXUVTL-CVEARBPZSA-N 1 0 348.378 2.696 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000566103806 319032834 /nfs/dbraw/zinc/03/28/34/319032834.db2.gz MPAFHVXCAAMICY-SRVKXCTJSA-N 1 0 337.445 2.762 10 5 EFBERO CSc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000566642728 319097497 /nfs/dbraw/zinc/09/74/97/319097497.db2.gz YVSNFWDFMHDZRL-CQSZACIVSA-N 1 0 348.424 2.846 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000566733377 319105998 /nfs/dbraw/zinc/10/59/98/319105998.db2.gz RLSJHBYDUKEKPF-ORHYLEIMSA-N 1 0 344.358 2.748 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571149277 319546080 /nfs/dbraw/zinc/54/60/80/319546080.db2.gz PWOILPICXYRHND-RDTXWAMCSA-N 1 0 346.431 2.749 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC(C(F)F)CC1 ZINC000576340108 320006870 /nfs/dbraw/zinc/00/68/70/320006870.db2.gz XVWKUCSHEDQTKB-WXRRBKDZSA-N 1 0 344.358 2.748 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000578127221 320176311 /nfs/dbraw/zinc/17/63/11/320176311.db2.gz IZNGTAMNPNJCJC-MRXNPFEDSA-N 1 0 335.429 2.532 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000578754356 320236636 /nfs/dbraw/zinc/23/66/36/320236636.db2.gz ZKTPPAIUNITGBU-WBMJQRKESA-N 1 0 337.420 2.619 10 5 EFBERO CC(C)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000183642185 323344306 /nfs/dbraw/zinc/34/43/06/323344306.db2.gz IFVQIXOZMXKITF-INIZCTEOSA-N 1 0 327.384 2.785 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCn2ccnn2)c2ccccc2)c1 ZINC000184264743 323360508 /nfs/dbraw/zinc/36/05/08/323360508.db2.gz PHYWYGMEPPHREN-SFHVURJKSA-N 1 0 337.383 2.956 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+](CC4CCCC4)CC3)[nH]c2c1 ZINC000580033223 324080266 /nfs/dbraw/zinc/08/02/66/324080266.db2.gz DFFVEUQBLCRFQW-UHFFFAOYSA-N 1 0 343.431 2.960 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128871399 472506338 /nfs/dbraw/zinc/50/63/38/472506338.db2.gz QIMKHYTVZAATTK-IAGOWNOFSA-N 1 0 330.388 2.944 10 5 EFBERO Cc1cc(NCC(=O)NCC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008426 473254093 /nfs/dbraw/zinc/25/40/93/473254093.db2.gz ZMBLWMWABRPBRO-UHFFFAOYSA-N 1 0 342.277 2.542 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000190449567 473279692 /nfs/dbraw/zinc/27/96/92/473279692.db2.gz RTLFNQSBQDQGIR-MRXNPFEDSA-N 1 0 326.400 2.948 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190450515 473278838 /nfs/dbraw/zinc/27/88/38/473278838.db2.gz CJZUWXZYXMGKHO-MRXNPFEDSA-N 1 0 341.415 2.652 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000190449547 473279207 /nfs/dbraw/zinc/27/92/07/473279207.db2.gz RTLFNQSBQDQGIR-INIZCTEOSA-N 1 0 326.400 2.948 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124799447 473305296 /nfs/dbraw/zinc/30/52/96/473305296.db2.gz WEGMLUOAXJLKSF-JSGCOSHPSA-N 1 0 337.445 2.628 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171208353 473322737 /nfs/dbraw/zinc/32/27/37/473322737.db2.gz JPUZEQIEHJOCNL-CQSZACIVSA-N 1 0 342.399 2.777 10 5 EFBERO Cc1sc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000112916012 473330930 /nfs/dbraw/zinc/33/09/30/473330930.db2.gz JEYWWRIEWDQLMJ-UHFFFAOYSA-N 1 0 325.434 2.911 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000162590977 473359916 /nfs/dbraw/zinc/35/99/16/473359916.db2.gz OKIXDFXTDQDHAC-KGLIPLIRSA-N 1 0 336.388 2.815 10 5 EFBERO CCc1nnc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190703796 473367849 /nfs/dbraw/zinc/36/78/49/473367849.db2.gz TTZVEUZDXQZTTR-UHFFFAOYSA-N 1 0 345.403 2.534 10 5 EFBERO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574518810 479301443 /nfs/dbraw/zinc/30/14/43/479301443.db2.gz UEHOVPBJWOQZED-SFYZADRCSA-N 1 0 345.197 2.605 10 5 EFBERO CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc1ccccc1c2=O ZINC000005455629 471507156 /nfs/dbraw/zinc/50/71/56/471507156.db2.gz OLDFECRHZVIEMS-ZDUSSCGKSA-N 1 0 327.380 2.684 10 5 EFBERO Cc1sc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000068007587 472121624 /nfs/dbraw/zinc/12/16/24/472121624.db2.gz DGGZKQTWIVMBKN-LLVKDONJSA-N 1 0 325.434 2.959 10 5 EFBERO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000055023860 472131792 /nfs/dbraw/zinc/13/17/92/472131792.db2.gz JSZJZQJGXZVBBB-UHFFFAOYSA-N 1 0 331.347 2.507 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000075609166 472168683 /nfs/dbraw/zinc/16/86/83/472168683.db2.gz MEVLRJZYWPEWJR-GFCCVEGCSA-N 1 0 325.434 2.533 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4c(O)cccc4c(c32)C1=O ZINC000027557782 472183820 /nfs/dbraw/zinc/18/38/20/472183820.db2.gz LJKXNZMCUJHMAV-UHFFFAOYSA-N 1 0 334.375 2.856 10 5 EFBERO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000076082584 472263679 /nfs/dbraw/zinc/26/36/79/472263679.db2.gz QTGDPSDIACEXHL-ROUUACIJSA-N 1 0 344.415 2.606 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000650 472277069 /nfs/dbraw/zinc/27/70/69/472277069.db2.gz UAEVDVCYEVAFIA-DYLGSBMWSA-N 1 0 333.388 2.676 10 5 EFBERO Cc1cc(N2CCC(C(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083752 472437424 /nfs/dbraw/zinc/43/74/24/472437424.db2.gz GTYFZTKDDHBUQS-UHFFFAOYSA-N 1 0 342.399 2.756 10 5 EFBERO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513420 472452190 /nfs/dbraw/zinc/45/21/90/472452190.db2.gz JFNCTUZXSPBRRR-RDTXWAMCSA-N 1 0 339.395 2.874 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032737758 472461791 /nfs/dbraw/zinc/46/17/91/472461791.db2.gz GELWEBHXRVFLIN-MNOVXSKESA-N 1 0 325.434 2.957 10 5 EFBERO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847133 472484743 /nfs/dbraw/zinc/48/47/43/472484743.db2.gz WDCFBSWTVTXPTM-UHFFFAOYSA-N 1 0 348.447 2.587 10 5 EFBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000154906870 472484977 /nfs/dbraw/zinc/48/49/77/472484977.db2.gz DNOAMBPDXJDSTM-LBPRGKRZSA-N 1 0 334.376 2.956 10 5 EFBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000154926417 472487822 /nfs/dbraw/zinc/48/78/22/472487822.db2.gz KXVYGCSSCVWVPK-LLVKDONJSA-N 1 0 335.433 2.757 10 5 EFBERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128735863 472489178 /nfs/dbraw/zinc/48/91/78/472489178.db2.gz DPBNQLCNIUXXPJ-ZFWWWQNUSA-N 1 0 343.387 2.503 10 5 EFBERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128736079 472489285 /nfs/dbraw/zinc/48/92/85/472489285.db2.gz DPBNQLCNIUXXPJ-UKRRQHHQSA-N 1 0 343.387 2.503 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000155122854 472510779 /nfs/dbraw/zinc/51/07/79/472510779.db2.gz LUQIJWFEBZECBK-ZDUSSCGKSA-N 1 0 345.403 2.625 10 5 EFBERO Cc1c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000155306689 472531137 /nfs/dbraw/zinc/53/11/37/472531137.db2.gz HOMBZYAWJJWTNP-MRXNPFEDSA-N 1 0 341.411 2.806 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000058524266 472578630 /nfs/dbraw/zinc/57/86/30/472578630.db2.gz DOTZNGIKGKQHIH-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3)CCCCC2)c1 ZINC000130259240 472593653 /nfs/dbraw/zinc/59/36/53/472593653.db2.gz XJUPGRLFMJETQC-KRWDZBQOSA-N 1 0 344.415 2.601 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155686527 472595649 /nfs/dbraw/zinc/59/56/49/472595649.db2.gz LKKAYALMRMXFHP-MFKMUULPSA-N 1 0 325.796 2.707 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000119886210 472597757 /nfs/dbraw/zinc/59/77/57/472597757.db2.gz RGJGXCQLSVHNLC-KBPBESRZSA-N 1 0 332.404 2.912 10 5 EFBERO CCC[C@H]([NH2+][C@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409764 472615344 /nfs/dbraw/zinc/61/53/44/472615344.db2.gz GAMFCWHACADWCM-HOCLYGCPSA-N 1 0 334.420 2.829 10 5 EFBERO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409765 472615813 /nfs/dbraw/zinc/61/58/13/472615813.db2.gz GAMFCWHACADWCM-GOEBONIOSA-N 1 0 334.420 2.829 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090515132 472628796 /nfs/dbraw/zinc/62/87/96/472628796.db2.gz KRPANKZKRCBSOB-HIMNYSJASA-N 1 0 328.434 2.801 10 5 EFBERO CC[C@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560571 472636777 /nfs/dbraw/zinc/63/67/77/472636777.db2.gz ZBPRTJDHTDCPIU-WBMJQRKESA-N 1 0 334.420 2.828 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000047258310 472678749 /nfs/dbraw/zinc/67/87/49/472678749.db2.gz NTFPDEYVSSFWMO-UHFFFAOYSA-N 1 0 327.388 2.512 10 5 EFBERO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000091457340 472768352 /nfs/dbraw/zinc/76/83/52/472768352.db2.gz MEDZULMGMRIHHT-ZDUSSCGKSA-N 1 0 335.404 2.834 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887186 472798416 /nfs/dbraw/zinc/79/84/16/472798416.db2.gz SINBVGFIVNQPST-UHFFFAOYSA-N 1 0 330.388 2.582 10 5 EFBERO Cc1cnn([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106220225 472833018 /nfs/dbraw/zinc/83/30/18/472833018.db2.gz BYKVFCAIZKMJLB-INIZCTEOSA-N 1 0 330.388 2.816 10 5 EFBERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106220222 472834464 /nfs/dbraw/zinc/83/44/64/472834464.db2.gz BYKVFCAIZKMJLB-MRXNPFEDSA-N 1 0 330.388 2.816 10 5 EFBERO C[C@@H]1C[N@@H+](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000092078973 472854660 /nfs/dbraw/zinc/85/46/60/472854660.db2.gz GUTNIONJUNPJKG-MQDFFIGUSA-N 1 0 345.443 2.793 10 5 EFBERO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000073869909 472892319 /nfs/dbraw/zinc/89/23/19/472892319.db2.gz GDAPOFQLZOLVTC-UHFFFAOYSA-N 1 0 342.399 2.711 10 5 EFBERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121901285 472939957 /nfs/dbraw/zinc/93/99/57/472939957.db2.gz OJJMCJJKMILBNG-KRWDZBQOSA-N 1 0 327.384 2.936 10 5 EFBERO O=[N+]([O-])c1ccc(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000159190568 473007074 /nfs/dbraw/zinc/00/70/74/473007074.db2.gz SVVIBPNIUZGWJC-MRXNPFEDSA-N 1 0 345.424 2.501 10 5 EFBERO Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122515594 473024000 /nfs/dbraw/zinc/02/40/00/473024000.db2.gz IWIKWAHPPPQRPI-QGZVFWFLSA-N 1 0 341.411 2.806 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011117 473026150 /nfs/dbraw/zinc/02/61/50/473026150.db2.gz MUGATZJQVJDWPK-FZMUQLTDSA-N 1 0 345.443 2.795 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051383497 473045295 /nfs/dbraw/zinc/04/52/95/473045295.db2.gz ADUNIULMLPNIIQ-ZDUSSCGKSA-N 1 0 346.412 2.542 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051383500 473045597 /nfs/dbraw/zinc/04/55/97/473045597.db2.gz ZUWIKZIIGLTIMG-ZDUSSCGKSA-N 1 0 346.412 2.542 10 5 EFBERO CCc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066159294 473051835 /nfs/dbraw/zinc/05/18/35/473051835.db2.gz UKNPNCJCCRDPLG-HNNXBMFYSA-N 1 0 332.404 2.859 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074713388 473051813 /nfs/dbraw/zinc/05/18/13/473051813.db2.gz SHHZJLKZISWZMM-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000080680613 473068455 /nfs/dbraw/zinc/06/84/55/473068455.db2.gz OLOVKIHEUCLEFR-CYBMUJFWSA-N 1 0 342.827 2.580 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122914399 473072633 /nfs/dbraw/zinc/07/26/33/473072633.db2.gz PPGODZIZBPHTOG-TZMCWYRMSA-N 1 0 334.420 2.581 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902446 473098349 /nfs/dbraw/zinc/09/83/49/473098349.db2.gz UJWNXXPXGVGMND-FZKQIMNGSA-N 1 0 349.431 2.700 10 5 EFBERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000160529967 473138434 /nfs/dbraw/zinc/13/84/34/473138434.db2.gz VWSZLEYIRIZDHH-UHFFFAOYSA-N 1 0 330.388 2.717 10 5 EFBERO O=[N+]([O-])c1cnccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000066810170 473156712 /nfs/dbraw/zinc/15/67/12/473156712.db2.gz YTECNCDLVUPTNY-UHFFFAOYSA-N 1 0 328.372 2.608 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094139736 473180560 /nfs/dbraw/zinc/18/05/60/473180560.db2.gz JIVZOBBLRKUKOZ-ZFWWWQNUSA-N 1 0 331.416 2.829 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000110994078 473187593 /nfs/dbraw/zinc/18/75/93/473187593.db2.gz BXSQXMKCUAZUKB-CQSZACIVSA-N 1 0 335.404 2.598 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000110994082 473187864 /nfs/dbraw/zinc/18/78/64/473187864.db2.gz BXSQXMKCUAZUKB-AWEZNQCLSA-N 1 0 335.404 2.598 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177518233 473393759 /nfs/dbraw/zinc/39/37/59/473393759.db2.gz KRSQGTFPYFCFBJ-UONOGXRCSA-N 1 0 335.404 2.596 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000185365034 473407341 /nfs/dbraw/zinc/40/73/41/473407341.db2.gz NUMQIMWFRXDORM-HNNXBMFYSA-N 1 0 337.420 2.571 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712866 473422414 /nfs/dbraw/zinc/42/24/14/473422414.db2.gz GXSPCJAXVARIGH-MRXNPFEDSA-N 1 0 348.447 2.648 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000178338422 473494141 /nfs/dbraw/zinc/49/41/41/473494141.db2.gz IDJOEVSKSLXLHT-CYBMUJFWSA-N 1 0 336.436 2.875 10 5 EFBERO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@@H]1[NH3+] ZINC000165836683 473517064 /nfs/dbraw/zinc/51/70/64/473517064.db2.gz CFIOBZVIQWTKFO-UWVGGRQHSA-N 1 0 343.225 2.624 10 5 EFBERO O=C(C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000170643838 473572267 /nfs/dbraw/zinc/57/22/67/473572267.db2.gz NYPBICRNNMQIHD-UHFFFAOYSA-N 1 0 345.443 2.862 10 5 EFBERO Cc1sc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000186189225 473611883 /nfs/dbraw/zinc/61/18/83/473611883.db2.gz RHJVVUQAZOTVSE-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000127436143 473613491 /nfs/dbraw/zinc/61/34/91/473613491.db2.gz OQIFNRNGKCMSLB-GFCCVEGCSA-N 1 0 345.321 2.828 10 5 EFBERO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153688896 473637447 /nfs/dbraw/zinc/63/74/47/473637447.db2.gz PTWPQYDTGNPBQW-CQSZACIVSA-N 1 0 327.375 2.799 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000127761808 473648329 /nfs/dbraw/zinc/64/83/29/473648329.db2.gz XBMDDKCEXULVRL-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO CCOc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172837126 473691291 /nfs/dbraw/zinc/69/12/91/473691291.db2.gz CMLXXKLWWFITRB-OAHLLOKOSA-N 1 0 349.431 2.940 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810252 473729425 /nfs/dbraw/zinc/72/94/25/473729425.db2.gz YBOIYMWIXVPBHL-ZFWWWQNUSA-N 1 0 327.388 2.704 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192869734 473740523 /nfs/dbraw/zinc/74/05/23/473740523.db2.gz OVFXCHZGWICQNU-JTQLQIEISA-N 1 0 335.385 2.954 10 5 EFBERO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245970164 473767863 /nfs/dbraw/zinc/76/78/63/473767863.db2.gz NYALQTLXRURIMD-JLJPHGGASA-N 1 0 346.431 2.782 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180157519 473814310 /nfs/dbraw/zinc/81/43/10/473814310.db2.gz KOMWSVIVRMOUJY-HIFRSBDPSA-N 1 0 331.397 2.832 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000173398574 473825754 /nfs/dbraw/zinc/82/57/54/473825754.db2.gz VASDKMRWCTUQFA-OAHLLOKOSA-N 1 0 346.387 2.933 10 5 EFBERO Cc1sc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000194284736 473872890 /nfs/dbraw/zinc/87/28/90/473872890.db2.gz AQNRNAKTNLKKDV-UHFFFAOYSA-N 1 0 325.434 2.957 10 5 EFBERO COc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000288412036 473935196 /nfs/dbraw/zinc/93/51/96/473935196.db2.gz AMQZGXBITMLGPW-CQSZACIVSA-N 1 0 332.331 2.836 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000246755676 473953531 /nfs/dbraw/zinc/95/35/31/473953531.db2.gz BNTVPERQSROUCE-RHSMWYFYSA-N 1 0 348.447 2.632 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188050900 473964867 /nfs/dbraw/zinc/96/48/67/473964867.db2.gz MDKBUNZNPKIHSQ-LLVKDONJSA-N 1 0 325.434 2.777 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000613666123 480073055 /nfs/dbraw/zinc/07/30/55/480073055.db2.gz PCNRMWXHGMFBNS-QZTJIDSGSA-N 1 0 349.434 2.894 10 5 EFBERO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)cc1 ZINC000195066865 474000297 /nfs/dbraw/zinc/00/02/97/474000297.db2.gz ZLDWUMCTEYPACZ-KRWDZBQOSA-N 1 0 342.399 2.639 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174533310 474058507 /nfs/dbraw/zinc/05/85/07/474058507.db2.gz JQCIZLHGTYAKTB-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1CC ZINC000174737814 474088360 /nfs/dbraw/zinc/08/83/60/474088360.db2.gz FCQNFDWCBBIULR-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO CSc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247246047 474097848 /nfs/dbraw/zinc/09/78/48/474097848.db2.gz NHQPFXCYQGTKGZ-AAEUAGOBSA-N 1 0 335.429 2.625 10 5 EFBERO CSc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247246063 474098783 /nfs/dbraw/zinc/09/87/83/474098783.db2.gz NHQPFXCYQGTKGZ-YPMHNXCESA-N 1 0 335.429 2.625 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288964481 474105027 /nfs/dbraw/zinc/10/50/27/474105027.db2.gz UBCXBHTWYIUNNW-GJZGRUSLSA-N 1 0 329.404 2.977 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000247289067 474110040 /nfs/dbraw/zinc/11/00/40/474110040.db2.gz KSSNUYPTNQRDDY-MLGOLLRUSA-N 1 0 346.431 2.628 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188506135 474113919 /nfs/dbraw/zinc/11/39/19/474113919.db2.gz QISSFRRUYKOQCL-LSDHHAIUSA-N 1 0 347.415 2.611 10 5 EFBERO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221085 474125526 /nfs/dbraw/zinc/12/55/26/474125526.db2.gz AAYXFMPSVZPDTM-INIZCTEOSA-N 1 0 348.374 2.648 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247441216 474147847 /nfs/dbraw/zinc/14/78/47/474147847.db2.gz RZWFGHKSOVXXJF-QMTHXVAHSA-N 1 0 325.796 2.707 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+](C)C ZINC000264856517 474151521 /nfs/dbraw/zinc/15/15/21/474151521.db2.gz DBFWYZOPFSAKOJ-LBPRGKRZSA-N 1 0 325.434 2.533 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282682722 474154151 /nfs/dbraw/zinc/15/41/51/474154151.db2.gz KNRWTFRLKMVDPN-RDJZCZTQSA-N 1 0 334.416 2.561 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247470577 474154825 /nfs/dbraw/zinc/15/48/25/474154825.db2.gz VFYYAUDASOQLQY-DVOMOZLQSA-N 1 0 334.420 2.684 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247470587 474154865 /nfs/dbraw/zinc/15/48/65/474154865.db2.gz VFYYAUDASOQLQY-HEHGZKQESA-N 1 0 334.420 2.684 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017040 474164342 /nfs/dbraw/zinc/16/43/42/474164342.db2.gz XULFHWKFMQCHCR-SMDDNHRTSA-N 1 0 329.356 2.650 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247524715 474172145 /nfs/dbraw/zinc/17/21/45/474172145.db2.gz NSZLKCYHKUVCDA-QAPCUYQASA-N 1 0 333.432 2.843 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275467868 474197363 /nfs/dbraw/zinc/19/73/63/474197363.db2.gz HNFYVIXKGACVHA-HUUCEWRRSA-N 1 0 328.416 2.965 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188836345 474212223 /nfs/dbraw/zinc/21/22/23/474212223.db2.gz YCDBZVBLHNWDQL-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000270731076 474240262 /nfs/dbraw/zinc/24/02/62/474240262.db2.gz CLCJMJWNYPAKMZ-UHFFFAOYSA-N 1 0 343.387 2.567 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175519918 474241116 /nfs/dbraw/zinc/24/11/16/474241116.db2.gz KVMJEVUKWLWCCI-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248033119 474247771 /nfs/dbraw/zinc/24/77/71/474247771.db2.gz KOMWSVIVRMOUJY-UKRRQHHQSA-N 1 0 331.397 2.832 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248047683 474251374 /nfs/dbraw/zinc/25/13/74/474251374.db2.gz NFXFFHXFAODNOV-QFBILLFUSA-N 1 0 339.395 2.699 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248124493 474261541 /nfs/dbraw/zinc/26/15/41/474261541.db2.gz VAHUFRZDWCEOSD-DOTOQJQBSA-N 1 0 325.368 2.770 10 5 EFBERO C[NH2+][C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234416455 474269062 /nfs/dbraw/zinc/26/90/62/474269062.db2.gz NYCVXKNYDRGRGD-SNVBAGLBSA-N 1 0 328.210 2.854 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000248375619 474300081 /nfs/dbraw/zinc/30/00/81/474300081.db2.gz XJXFRFMSKHJETK-ARFHVFGLSA-N 1 0 334.416 2.989 10 5 EFBERO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+](C)C ZINC000175823443 474317419 /nfs/dbraw/zinc/31/74/19/474317419.db2.gz MCSIBDYFSXCGFD-LLVKDONJSA-N 1 0 332.404 2.782 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248462027 474333972 /nfs/dbraw/zinc/33/39/72/474333972.db2.gz PPXIOGPRNIJVAO-KGLIPLIRSA-N 1 0 332.356 2.765 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000275854796 474341545 /nfs/dbraw/zinc/34/15/45/474341545.db2.gz IKOQDPGVHBIGLG-UHFFFAOYSA-N 1 0 325.796 2.723 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183224118 474353285 /nfs/dbraw/zinc/35/32/85/474353285.db2.gz GGLNLFWYYGSWQF-ISTVAULSSA-N 1 0 341.795 2.732 10 5 EFBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000189331751 474362490 /nfs/dbraw/zinc/36/24/90/474362490.db2.gz UPZSDNMONMSYFL-MLGOLLRUSA-N 1 0 335.404 2.589 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000248572981 474364319 /nfs/dbraw/zinc/36/43/19/474364319.db2.gz CYVQAPWVOVJUOW-DOTOQJQBSA-N 1 0 344.415 2.582 10 5 EFBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000189346380 474367363 /nfs/dbraw/zinc/36/73/63/474367363.db2.gz DPIXRZKRUUTVAJ-MLGOLLRUSA-N 1 0 335.404 2.589 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000189383006 474379474 /nfs/dbraw/zinc/37/94/74/474379474.db2.gz YOHRCDWNVCQTJE-GFCCVEGCSA-N 1 0 348.321 2.751 10 5 EFBERO Cc1cc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000275989153 474381857 /nfs/dbraw/zinc/38/18/57/474381857.db2.gz JOKKQVQMCNBHOS-UHFFFAOYSA-N 1 0 329.404 2.693 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000271074586 474397240 /nfs/dbraw/zinc/39/72/40/474397240.db2.gz GCLUALJZPWRWBN-STQMWFEESA-N 1 0 335.433 2.735 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608908451 480104266 /nfs/dbraw/zinc/10/42/66/480104266.db2.gz YSPZOJIBAHJWMY-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742850 474423014 /nfs/dbraw/zinc/42/30/14/474423014.db2.gz AKROKAOSKGUWTJ-AEFFLSMTSA-N 1 0 333.432 2.673 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000266231812 474425827 /nfs/dbraw/zinc/42/58/27/474425827.db2.gz NTVGXEONGAKGOT-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830341 474497423 /nfs/dbraw/zinc/49/74/23/474497423.db2.gz DPXWWUODADBTNL-GDBMZVCRSA-N 1 0 330.384 2.823 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000248998277 474503182 /nfs/dbraw/zinc/50/31/82/474503182.db2.gz NGXHJTBKJFFFOA-HIFRSBDPSA-N 1 0 332.404 2.994 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000266866089 474508859 /nfs/dbraw/zinc/50/88/59/474508859.db2.gz MEGSUHMVKZEMDM-TZMCWYRMSA-N 1 0 334.347 2.824 10 5 EFBERO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266912363 474527306 /nfs/dbraw/zinc/52/73/06/474527306.db2.gz WTIHDGSERIPCEZ-GJZGRUSLSA-N 1 0 330.384 2.994 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000190344512 474581659 /nfs/dbraw/zinc/58/16/59/474581659.db2.gz PEHRXDCPOLFUPA-UHFFFAOYSA-N 1 0 341.414 2.622 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000190353596 474585316 /nfs/dbraw/zinc/58/53/16/474585316.db2.gz BWKZLIYAOXAQJN-UHFFFAOYSA-N 1 0 349.412 2.869 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000184716009 474593658 /nfs/dbraw/zinc/59/36/58/474593658.db2.gz XVNRSVLJHWIRSC-INIZCTEOSA-N 1 0 345.443 2.860 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609130191 480115038 /nfs/dbraw/zinc/11/50/38/480115038.db2.gz KNKOVCKDOXIPFI-OAHLLOKOSA-N 1 0 348.447 2.662 10 5 EFBERO Cc1sc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249734072 474609532 /nfs/dbraw/zinc/60/95/32/474609532.db2.gz CVZMWEPEOKKGOU-MNOVXSKESA-N 1 0 325.434 2.815 10 5 EFBERO C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000291625058 474634245 /nfs/dbraw/zinc/63/42/45/474634245.db2.gz HFTLQSAPBVTYGP-MLGOLLRUSA-N 1 0 343.383 2.722 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518021 474677593 /nfs/dbraw/zinc/67/75/93/474677593.db2.gz SBKFKNWTQBNZNO-GOEBONIOSA-N 1 0 343.431 2.956 10 5 EFBERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252511601 474689709 /nfs/dbraw/zinc/68/97/09/474689709.db2.gz IONWCFWAQFLRBK-DOMZBBRYSA-N 1 0 334.420 2.961 10 5 EFBERO Cc1nc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000252512293 474691121 /nfs/dbraw/zinc/69/11/21/474691121.db2.gz OWSOHGRCOGBKKM-NWANDNLSSA-N 1 0 334.420 2.600 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000305286387 474727963 /nfs/dbraw/zinc/72/79/63/474727963.db2.gz DRKDIUXUMONSAS-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000278607593 474735031 /nfs/dbraw/zinc/73/50/31/474735031.db2.gz ZWAGQBPTSODBKT-SJKOYZFVSA-N 1 0 341.415 2.924 10 5 EFBERO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000291894136 474737581 /nfs/dbraw/zinc/73/75/81/474737581.db2.gz QVVSWZNIBFNSOD-ZDUSSCGKSA-N 1 0 339.367 2.562 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000278658495 474759203 /nfs/dbraw/zinc/75/92/03/474759203.db2.gz NYSUUZHSRFZUCZ-GWCFXTLKSA-N 1 0 337.807 2.769 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278659426 474761392 /nfs/dbraw/zinc/76/13/92/474761392.db2.gz HRQZSHWLDXIZJA-YPMHNXCESA-N 1 0 348.321 2.609 10 5 EFBERO COC(=O)c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000293011069 474764750 /nfs/dbraw/zinc/76/47/50/474764750.db2.gz IIFHENVPNUTIFI-AWEZNQCLSA-N 1 0 347.415 2.612 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000292005212 474796986 /nfs/dbraw/zinc/79/69/86/474796986.db2.gz XNADKYJAAJHUJP-HNNXBMFYSA-N 1 0 335.404 2.731 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278731443 474800908 /nfs/dbraw/zinc/80/09/08/474800908.db2.gz SOMKGBRJIHNCPR-CABCVRRESA-N 1 0 333.432 2.841 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268129134 474814400 /nfs/dbraw/zinc/81/44/00/474814400.db2.gz SMPXJWPRHVBWDA-LLVKDONJSA-N 1 0 342.827 2.778 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278782713 474832586 /nfs/dbraw/zinc/83/25/86/474832586.db2.gz VEILMMKJVNBAJB-OAHLLOKOSA-N 1 0 333.432 2.588 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278782708 474832615 /nfs/dbraw/zinc/83/26/15/474832615.db2.gz VEILMMKJVNBAJB-HNNXBMFYSA-N 1 0 333.432 2.588 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313138247 474853921 /nfs/dbraw/zinc/85/39/21/474853921.db2.gz FMLHHPDFAXDXRP-PHIMTYICSA-N 1 0 340.221 2.793 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000273452967 474906076 /nfs/dbraw/zinc/90/60/76/474906076.db2.gz ZGULRMKYHCITOU-SFHVURJKSA-N 1 0 339.395 2.794 10 5 EFBERO Cn1cc(-c2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])on2)cn1 ZINC000285201109 474925574 /nfs/dbraw/zinc/92/55/74/474925574.db2.gz DANGPGJGOCXMAJ-UHFFFAOYSA-N 1 0 341.371 2.658 10 5 EFBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322120815 474935634 /nfs/dbraw/zinc/93/56/34/474935634.db2.gz REZDYPXXRBKUDZ-BXUZGUMPSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322305459 474937541 /nfs/dbraw/zinc/93/75/41/474937541.db2.gz AMJMNORBDPEHJW-NHYWBVRUSA-N 1 0 337.807 2.852 10 5 EFBERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339149543 474977717 /nfs/dbraw/zinc/97/77/17/474977717.db2.gz SBKLGVZYASPWDD-QMTHXVAHSA-N 1 0 348.321 2.585 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124719 475001261 /nfs/dbraw/zinc/00/12/61/475001261.db2.gz OVBVJHMXSSAXPD-HUUCEWRRSA-N 1 0 348.447 2.699 10 5 EFBERO O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000339193212 475025038 /nfs/dbraw/zinc/02/50/38/475025038.db2.gz BMUPZCDRWKIATJ-ZDUSSCGKSA-N 1 0 334.294 2.580 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000328249217 475025917 /nfs/dbraw/zinc/02/59/17/475025917.db2.gz BFUNHWYJUJLDKJ-UHFFFAOYSA-N 1 0 347.415 2.836 10 5 EFBERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000328460735 475029545 /nfs/dbraw/zinc/02/95/45/475029545.db2.gz UJWWNXLUJJWWST-CYBMUJFWSA-N 1 0 325.368 2.681 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000328572755 475031096 /nfs/dbraw/zinc/03/10/96/475031096.db2.gz UXJSISLJKSVZGI-ZDUSSCGKSA-N 1 0 325.368 2.681 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261890930 475102197 /nfs/dbraw/zinc/10/21/97/475102197.db2.gz QKSWIMNLDLBTKV-BTOWRCTQSA-N 1 0 337.807 2.884 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534947 475104314 /nfs/dbraw/zinc/10/43/14/475104314.db2.gz XGJHZLLFNXWGQM-IUODEOHRSA-N 1 0 326.418 2.555 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352416505 475272068 /nfs/dbraw/zinc/27/20/68/475272068.db2.gz HJUFKMKHMJZUGZ-OAHLLOKOSA-N 1 0 349.431 2.588 10 5 EFBERO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352424107 475282344 /nfs/dbraw/zinc/28/23/44/475282344.db2.gz DJLAKPYQGZAYDA-OAHLLOKOSA-N 1 0 349.431 2.732 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357954878 475289594 /nfs/dbraw/zinc/28/95/94/475289594.db2.gz HYBUPJGHCLQDRA-DGCLKSJQSA-N 1 0 343.387 2.544 10 5 EFBERO Cc1c(Br)c(N2CCC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000347411226 475305536 /nfs/dbraw/zinc/30/55/36/475305536.db2.gz IJKWQYAUJCZVCS-SNVBAGLBSA-N 1 0 343.225 2.591 10 5 EFBERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296507700 475348289 /nfs/dbraw/zinc/34/82/89/475348289.db2.gz YJYDXHOXDNNPRP-KGLIPLIRSA-N 1 0 334.420 2.829 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000296776908 475473327 /nfs/dbraw/zinc/47/33/27/475473327.db2.gz ASRPFWQNSXYYEU-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2CCO)c2c(c1)COCO2 ZINC000342025061 475514298 /nfs/dbraw/zinc/51/42/98/475514298.db2.gz TVFXNGXJIUFIDE-HNNXBMFYSA-N 1 0 336.388 2.588 10 5 EFBERO COc1c[nH+]ccc1N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361523356 475518160 /nfs/dbraw/zinc/51/81/60/475518160.db2.gz FAZBNGRSWCENHA-UHFFFAOYSA-N 1 0 342.399 2.629 10 5 EFBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247512 475521688 /nfs/dbraw/zinc/52/16/88/475521688.db2.gz SSAAYWSYBCUTBW-WOPDTQHZSA-N 1 0 348.321 2.607 10 5 EFBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247507 475521866 /nfs/dbraw/zinc/52/18/66/475521866.db2.gz SSAAYWSYBCUTBW-GRYCIOLGSA-N 1 0 348.321 2.607 10 5 EFBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249293 475523487 /nfs/dbraw/zinc/52/34/87/475523487.db2.gz WJNDHSSIFDROMD-MPKXVKKWSA-N 1 0 348.321 2.607 10 5 EFBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249296 475523629 /nfs/dbraw/zinc/52/36/29/475523629.db2.gz WJNDHSSIFDROMD-SCDSUCTJSA-N 1 0 348.321 2.607 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342049880 475533667 /nfs/dbraw/zinc/53/36/67/475533667.db2.gz QDFXTPSKFLWSEX-HNNXBMFYSA-N 1 0 349.431 2.859 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345894476 475540375 /nfs/dbraw/zinc/54/03/75/475540375.db2.gz XQACPUCNKHPKFW-UHFFFAOYSA-N 1 0 336.436 2.660 10 5 EFBERO CC[C@H](C)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000296944235 475546992 /nfs/dbraw/zinc/54/69/92/475546992.db2.gz NBCRYNGMZRRCAA-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342291080 475583383 /nfs/dbraw/zinc/58/33/83/475583383.db2.gz FJRRRINPCZOCQL-NSHDSACASA-N 1 0 346.362 2.996 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000348348971 475609640 /nfs/dbraw/zinc/60/96/40/475609640.db2.gz KYNULFCRPCNVTK-UHFFFAOYSA-N 1 0 349.431 2.844 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000352776296 475612156 /nfs/dbraw/zinc/61/21/56/475612156.db2.gz BPAIOZUMTDNHCQ-CJNGLKHVSA-N 1 0 330.388 2.883 10 5 EFBERO CNC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000361634796 475617367 /nfs/dbraw/zinc/61/73/67/475617367.db2.gz CGOWWAOERFCOEW-HNNXBMFYSA-N 1 0 343.383 2.570 10 5 EFBERO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355042636 475619812 /nfs/dbraw/zinc/61/98/12/475619812.db2.gz SZNHUEBTZAZNLE-CQSZACIVSA-N 1 0 348.399 2.935 10 5 EFBERO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000297186356 475646505 /nfs/dbraw/zinc/64/65/05/475646505.db2.gz FCLSGJKNLIHLKQ-RYUDHWBXSA-N 1 0 349.412 2.654 10 5 EFBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348428479 475661536 /nfs/dbraw/zinc/66/15/36/475661536.db2.gz OEQFTKUOUBQCAA-LBPRGKRZSA-N 1 0 338.795 2.949 10 5 EFBERO COC[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000358439906 475681162 /nfs/dbraw/zinc/68/11/62/475681162.db2.gz YKPNTASZUUUFHY-ZWKOTPCHSA-N 1 0 330.384 2.935 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1cccnc1)CCC2 ZINC000348643818 475797643 /nfs/dbraw/zinc/79/76/43/475797643.db2.gz OWLXYRRFPBEGBN-MAUKXSAKSA-N 1 0 327.384 2.733 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707211 475826138 /nfs/dbraw/zinc/82/61/38/475826138.db2.gz RJEQRHKYOCFJND-LSDHHAIUSA-N 1 0 348.447 2.504 10 5 EFBERO C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297877251 475911574 /nfs/dbraw/zinc/91/15/74/475911574.db2.gz RFSIYWMZCBKUON-UWVGGRQHSA-N 1 0 345.321 2.778 10 5 EFBERO COc1cc(CN2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026883 475947986 /nfs/dbraw/zinc/94/79/86/475947986.db2.gz NEMXAHWCXBYAMH-HNNXBMFYSA-N 1 0 348.428 2.627 10 5 EFBERO CN(c1ncnc2cccc([N+](=O)[O-])c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343334482 475959065 /nfs/dbraw/zinc/95/90/65/475959065.db2.gz BKGIPCROXSFWOJ-FUNVUKJBSA-N 1 0 327.388 2.599 10 5 EFBERO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340508872 476073956 /nfs/dbraw/zinc/07/39/56/476073956.db2.gz QIDRSRJDBHKUEQ-LBPRGKRZSA-N 1 0 343.309 2.774 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340530495 476088490 /nfs/dbraw/zinc/08/84/90/476088490.db2.gz DHFSZSIUPDQLFC-SJWGOKEGSA-N 1 0 330.388 2.861 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000340538923 476094636 /nfs/dbraw/zinc/09/46/36/476094636.db2.gz HDQXMGNJTWMGOV-KKBVYLPWSA-N 1 0 330.388 2.861 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000340538927 476094957 /nfs/dbraw/zinc/09/49/57/476094957.db2.gz HDQXMGNJTWMGOV-VJUNAUMWSA-N 1 0 330.388 2.861 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000298504416 476117062 /nfs/dbraw/zinc/11/70/62/476117062.db2.gz QGFVPHNGLWRYMJ-GFCCVEGCSA-N 1 0 337.445 2.921 10 5 EFBERO CC(C)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000356740189 476127290 /nfs/dbraw/zinc/12/72/90/476127290.db2.gz JVGZRLXGLYJPGK-LBPRGKRZSA-N 1 0 344.209 2.882 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3cc[nH]c3n2)n1 ZINC000353623694 476133900 /nfs/dbraw/zinc/13/39/00/476133900.db2.gz CBKZPLIWNHXCFG-CABCVRRESA-N 1 0 340.387 2.941 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2NCCC[NH2+]Cc2cccnc2)s1 ZINC000336882265 476173458 /nfs/dbraw/zinc/17/34/58/476173458.db2.gz VVYDJGAFDSUFKF-UHFFFAOYSA-N 1 0 344.400 2.586 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362358517 476192893 /nfs/dbraw/zinc/19/28/93/476192893.db2.gz KAAUGJFNTALQLD-AWEZNQCLSA-N 1 0 330.363 2.724 10 5 EFBERO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000344270900 476204429 /nfs/dbraw/zinc/20/44/29/476204429.db2.gz GGWMSBNHEFCIHH-HNNXBMFYSA-N 1 0 335.379 2.824 10 5 EFBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357077807 476211809 /nfs/dbraw/zinc/21/18/09/476211809.db2.gz XLHSPWZZNMCNTH-KBXCAEBGSA-N 1 0 347.415 2.814 10 5 EFBERO COc1cc(C[N@@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000353827201 476292004 /nfs/dbraw/zinc/29/20/04/476292004.db2.gz YKGRDHLRUWYQFN-LBPRGKRZSA-N 1 0 326.393 2.857 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccs1 ZINC000357219232 476294365 /nfs/dbraw/zinc/29/43/65/476294365.db2.gz JOZVDXKZOPMZTQ-IAQYHMDHSA-N 1 0 348.428 2.797 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000360766880 476373570 /nfs/dbraw/zinc/37/35/70/476373570.db2.gz SWAYLVIOCFHYFR-QGZVFWFLSA-N 1 0 327.384 2.870 10 5 EFBERO CNC(=O)C[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360771666 476378014 /nfs/dbraw/zinc/37/80/14/476378014.db2.gz IVUMLZZWCUHSBI-HNNXBMFYSA-N 1 0 343.383 2.570 10 5 EFBERO COc1ccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000377388266 476377985 /nfs/dbraw/zinc/37/79/85/476377985.db2.gz DIMMUXYDUQTLHQ-UHFFFAOYSA-N 1 0 341.367 2.655 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])CN1 ZINC000360808534 476401603 /nfs/dbraw/zinc/40/16/03/476401603.db2.gz DQHDFBZDCOHPRR-HRNFOAQLSA-N 1 0 329.400 2.599 10 5 EFBERO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1csc([N+](=O)[O-])c1 ZINC000354117921 476438778 /nfs/dbraw/zinc/43/87/78/476438778.db2.gz UECYFISGCVVJPE-KGLIPLIRSA-N 1 0 325.434 2.878 10 5 EFBERO COc1cc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000357585380 476472015 /nfs/dbraw/zinc/47/20/15/476472015.db2.gz VRDCUGFFJFNMNM-UHFFFAOYSA-N 1 0 343.424 2.982 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000360992149 476528852 /nfs/dbraw/zinc/52/88/52/476528852.db2.gz ZYEYNCHKBUAXQS-BLLLJJGKSA-N 1 0 332.429 2.968 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772122 476572413 /nfs/dbraw/zinc/57/24/13/476572413.db2.gz GGMJLNLNWMSYNT-IUODEOHRSA-N 1 0 333.388 2.806 10 5 EFBERO C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000357867898 476659641 /nfs/dbraw/zinc/65/96/41/476659641.db2.gz XFGSFNWOBAWWRU-UONOGXRCSA-N 1 0 348.447 2.511 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000421711083 476690648 /nfs/dbraw/zinc/69/06/48/476690648.db2.gz NQTKTNXDTXTNFS-JTQLQIEISA-N 1 0 345.321 2.780 10 5 EFBERO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451869050 476690735 /nfs/dbraw/zinc/69/07/35/476690735.db2.gz FRJUCLLAOQLJTK-CYBMUJFWSA-N 1 0 345.365 2.953 10 5 EFBERO CC(C)(C)CC(C)(C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451903908 476713136 /nfs/dbraw/zinc/71/31/36/476713136.db2.gz RBRXSHQZLBTJJC-UHFFFAOYSA-N 1 0 337.468 2.624 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000379681064 476730330 /nfs/dbraw/zinc/73/03/30/476730330.db2.gz OVNZMGBHLBPYPY-CQSZACIVSA-N 1 0 332.429 2.940 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)CCCOC4)o2)cc1 ZINC000375282320 476755356 /nfs/dbraw/zinc/75/53/56/476755356.db2.gz ZCQXORIDMBECHX-KRWDZBQOSA-N 1 0 344.371 2.647 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/CN1CCC(Oc2cnccn2)CC1 ZINC000365940289 476773691 /nfs/dbraw/zinc/77/36/91/476773691.db2.gz HFZXEJVVGVSMRX-HWKANZROSA-N 1 0 340.383 2.941 10 5 EFBERO Cc1ccc(CN2CCC(Oc3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000365939643 476773975 /nfs/dbraw/zinc/77/39/75/476773975.db2.gz BKFPBEZZFCKQNT-UHFFFAOYSA-N 1 0 328.372 2.737 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430274915 476800062 /nfs/dbraw/zinc/80/00/62/476800062.db2.gz FXOYEKWNFWXUGU-YPMHNXCESA-N 1 0 333.388 2.828 10 5 EFBERO CC1=C[C@H](C)C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430284553 476802565 /nfs/dbraw/zinc/80/25/65/476802565.db2.gz MPJFDLHHMDBZBW-LBPRGKRZSA-N 1 0 331.372 2.791 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055056 476813424 /nfs/dbraw/zinc/81/34/24/476813424.db2.gz SGFAZXHDCUUSEG-GJZGRUSLSA-N 1 0 333.432 2.907 10 5 EFBERO COc1cc(CNC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000452091500 476817272 /nfs/dbraw/zinc/81/72/72/476817272.db2.gz BZGNUTWQRLJAKT-UHFFFAOYSA-N 1 0 325.384 2.707 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000452096657 476821024 /nfs/dbraw/zinc/82/10/24/476821024.db2.gz YKJCEHPMASAFJB-ZIAGYGMSSA-N 1 0 335.404 2.670 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375473484 476857116 /nfs/dbraw/zinc/85/71/16/476857116.db2.gz WKIZPIVQSGTLIF-GFCCVEGCSA-N 1 0 344.371 2.853 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000446315384 476860021 /nfs/dbraw/zinc/86/00/21/476860021.db2.gz IZVYEMGTWLMREY-JQWIXIFHSA-N 1 0 325.796 2.769 10 5 EFBERO COC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000370539639 476862588 /nfs/dbraw/zinc/86/25/88/476862588.db2.gz NJAJTOHTMOBUOK-GXTWGEPZSA-N 1 0 333.388 2.729 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000370581357 476881705 /nfs/dbraw/zinc/88/17/05/476881705.db2.gz CQBHPTJNASICAL-HNNXBMFYSA-N 1 0 338.367 2.615 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415654304 476947705 /nfs/dbraw/zinc/94/77/05/476947705.db2.gz JAZQPTWKVJDVOZ-ONXXMXGDSA-N 1 0 348.403 2.740 10 5 EFBERO O=C1[C@H]([NH2+][C@H]2CC3CCC2CC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431077568 476973429 /nfs/dbraw/zinc/97/34/29/476973429.db2.gz PFLGSSUJSNXNBQ-YCUKKYJWSA-N 1 0 329.400 2.868 10 5 EFBERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000366407282 476993574 /nfs/dbraw/zinc/99/35/74/476993574.db2.gz DNLAVHRPEAOXJP-UHFFFAOYSA-N 1 0 325.368 2.575 10 5 EFBERO CN(C)c1ncccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542520 477009355 /nfs/dbraw/zinc/00/93/55/477009355.db2.gz JJQXMBNWFFTKBD-HUUCEWRRSA-N 1 0 344.419 2.526 10 5 EFBERO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548380 477010403 /nfs/dbraw/zinc/01/04/03/477010403.db2.gz HGHLSTOKPVXFAU-PMPSAXMXSA-N 1 0 335.452 2.739 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423485810 477045056 /nfs/dbraw/zinc/04/50/56/477045056.db2.gz RWWFJUXQHKNTQW-ZFWWWQNUSA-N 1 0 325.359 2.503 10 5 EFBERO CCOc1ccc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423481893 477045180 /nfs/dbraw/zinc/04/51/80/477045180.db2.gz OQUSLWWJEVBTMY-YGRLFVJLSA-N 1 0 329.347 2.641 10 5 EFBERO Cc1cc(OCC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431634933 477065723 /nfs/dbraw/zinc/06/57/23/477065723.db2.gz HZPLYKXJBDTRTC-GASCZTMLSA-N 1 0 349.431 2.661 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423938456 477225130 /nfs/dbraw/zinc/22/51/30/477225130.db2.gz IERYRGIRWQVTCW-XHDPSFHLSA-N 1 0 337.807 2.852 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411416478 477227802 /nfs/dbraw/zinc/22/78/02/477227802.db2.gz ORLYFQOVZKTDDL-RRQGHBQHSA-N 1 0 331.416 2.689 10 5 EFBERO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423968136 477237754 /nfs/dbraw/zinc/23/77/54/477237754.db2.gz HVSUKNLMVMFGBT-GJZGRUSLSA-N 1 0 347.415 2.598 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423973290 477240223 /nfs/dbraw/zinc/24/02/23/477240223.db2.gz MMMFPIUOEVOYAW-XHDPSFHLSA-N 1 0 337.807 2.852 10 5 EFBERO C[NH2+]CCCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000424012826 477261535 /nfs/dbraw/zinc/26/15/35/477261535.db2.gz PYEZXODACWCDBW-AWEZNQCLSA-N 1 0 348.447 2.513 10 5 EFBERO CC1(C)C[C@H]([NH2+]C2CCC(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433302291 477321794 /nfs/dbraw/zinc/32/17/94/477321794.db2.gz XIQPLAIUMHYCPQ-PPUFBPAQSA-N 1 0 331.416 2.951 10 5 EFBERO O=C(CC[N@@H+]1CCOC[C@H]1CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411775196 477363444 /nfs/dbraw/zinc/36/34/44/477363444.db2.gz XGKCBRWLXZJVGU-QGZVFWFLSA-N 1 0 347.415 2.814 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411969021 477399884 /nfs/dbraw/zinc/39/98/84/477399884.db2.gz PKZBSKBXLRWSRB-IFXJQAMLSA-N 1 0 339.395 2.785 10 5 EFBERO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413071082 477499297 /nfs/dbraw/zinc/49/92/97/477499297.db2.gz FXWLAFQBAHZPSP-UHFFFAOYSA-N 1 0 334.351 2.681 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413114516 477526338 /nfs/dbraw/zinc/52/63/38/477526338.db2.gz DVLFADPFOGGFAS-SNVBAGLBSA-N 1 0 348.325 2.531 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371865051 477533463 /nfs/dbraw/zinc/53/34/63/477533463.db2.gz RCMJFUBTHGAKTL-SJLPKXTDSA-N 1 0 344.415 2.725 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000413502285 477702037 /nfs/dbraw/zinc/70/20/37/477702037.db2.gz MYWWQYYVEAAKPZ-BVPBIZIASA-N 1 0 345.443 2.887 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000426521645 477712932 /nfs/dbraw/zinc/71/29/32/477712932.db2.gz HSRCCWACRHMJME-NSHDSACASA-N 1 0 343.374 2.652 10 5 EFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000450807220 477724046 /nfs/dbraw/zinc/72/40/46/477724046.db2.gz GHCKQMDBSKRFAR-HNNXBMFYSA-N 1 0 326.400 2.948 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427966498 477795783 /nfs/dbraw/zinc/79/57/83/477795783.db2.gz BFKDBEXQCVKTQJ-DOMZBBRYSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000427979331 477797585 /nfs/dbraw/zinc/79/75/85/477797585.db2.gz HWYUWGNHSXEXFY-GOSISDBHSA-N 1 0 342.399 2.707 10 5 EFBERO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000427980782 477799334 /nfs/dbraw/zinc/79/93/34/477799334.db2.gz CPZSWYXYVSDIOH-MRXNPFEDSA-N 1 0 343.362 2.747 10 5 EFBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469323 477828643 /nfs/dbraw/zinc/82/86/43/477828643.db2.gz JNSFJJJQQFTQJA-UKRRQHHQSA-N 1 0 330.432 2.932 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000438932146 477907066 /nfs/dbraw/zinc/90/70/66/477907066.db2.gz BEUIDOWBEDELNP-STQMWFEESA-N 1 0 337.807 2.913 10 5 EFBERO CC(C)(C)C1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459478923 477925006 /nfs/dbraw/zinc/92/50/06/477925006.db2.gz HKOFAWMAKGAPGF-UHFFFAOYSA-N 1 0 340.445 2.783 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494674033 478040560 /nfs/dbraw/zinc/04/05/60/478040560.db2.gz TTZLTFDCVRDHOL-SMDDNHRTSA-N 1 0 349.412 2.615 10 5 EFBERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533600476 478105167 /nfs/dbraw/zinc/10/51/67/478105167.db2.gz QCNGEFINUVQGOQ-UHFFFAOYSA-N 1 0 342.399 2.630 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CCO)CCCCC1 ZINC000440885546 478172147 /nfs/dbraw/zinc/17/21/47/478172147.db2.gz IJCQSRYVYNRFEA-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000518562501 478178715 /nfs/dbraw/zinc/17/87/15/478178715.db2.gz JNDQVPVFAKSWOD-CWLKWCNXSA-N 1 0 342.399 2.787 10 5 EFBERO COCC1(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000519154246 478212965 /nfs/dbraw/zinc/21/29/65/478212965.db2.gz BPZMJFCQMFZORV-MRXNPFEDSA-N 1 0 344.415 2.824 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600202376 478278698 /nfs/dbraw/zinc/27/86/98/478278698.db2.gz GYBJNOYSKTYFRO-NQUBFNRKSA-N 1 0 334.441 2.984 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600202375 478279581 /nfs/dbraw/zinc/27/95/81/478279581.db2.gz GYBJNOYSKTYFRO-WCBAUVGUSA-N 1 0 334.441 2.984 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600202373 478279709 /nfs/dbraw/zinc/27/97/09/478279709.db2.gz GYBJNOYSKTYFRO-XTOSZEFFSA-N 1 0 334.441 2.984 10 5 EFBERO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])nc12 ZINC000537146077 478288869 /nfs/dbraw/zinc/28/88/69/478288869.db2.gz NZLODRDIICDQBI-CYBMUJFWSA-N 1 0 338.367 2.971 10 5 EFBERO CNc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600230005 478300490 /nfs/dbraw/zinc/30/04/90/478300490.db2.gz NPCXXLUDBPBHJD-CQSZACIVSA-N 1 0 346.431 2.773 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000520588131 478326988 /nfs/dbraw/zinc/32/69/88/478326988.db2.gz HRNREEYRGCPIIE-KRWDZBQOSA-N 1 0 325.368 2.602 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600468224 478382515 /nfs/dbraw/zinc/38/25/15/478382515.db2.gz DZQKNBVDDQXEKE-CQSZACIVSA-N 1 0 347.415 2.740 10 5 EFBERO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474571 478384803 /nfs/dbraw/zinc/38/48/03/478384803.db2.gz YXWCJDJZTIQPBZ-INIZCTEOSA-N 1 0 331.416 2.904 10 5 EFBERO CO[C@@](C)(CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000594513864 478421283 /nfs/dbraw/zinc/42/12/83/478421283.db2.gz UCJUIGYPFAJJLU-ZWKOTPCHSA-N 1 0 330.384 2.671 10 5 EFBERO CC(C)Oc1nc(NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000594568474 478442760 /nfs/dbraw/zinc/44/27/60/478442760.db2.gz SRQMVLOJXZQTBQ-UHFFFAOYSA-N 1 0 336.436 2.731 10 5 EFBERO [NH3+]C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000594583563 478449272 /nfs/dbraw/zinc/44/92/72/478449272.db2.gz WOJVEIKGYDKIBD-ZDUSSCGKSA-N 1 0 329.278 2.834 10 5 EFBERO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000597665744 478453946 /nfs/dbraw/zinc/45/39/46/478453946.db2.gz FDXNGRYYPVFARQ-CQSZACIVSA-N 1 0 331.416 2.643 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597665945 478454538 /nfs/dbraw/zinc/45/45/38/478454538.db2.gz HRVLQFHUCBXOFB-UHFFFAOYSA-N 1 0 349.456 2.631 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594596546 478455832 /nfs/dbraw/zinc/45/58/32/478455832.db2.gz AOCVVFYDKBPKJJ-DZGCQCFKSA-N 1 0 333.388 2.810 10 5 EFBERO O=c1[nH]c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597585 478457951 /nfs/dbraw/zinc/45/79/51/478457951.db2.gz DATVULJVPDKVSQ-GJZGRUSLSA-N 1 0 343.387 2.672 10 5 EFBERO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000570895281 478468967 /nfs/dbraw/zinc/46/89/67/478468967.db2.gz XSVUUUICKVTIGL-GOSISDBHSA-N 1 0 349.434 2.751 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597698186 478469887 /nfs/dbraw/zinc/46/98/87/478469887.db2.gz GSDPTQDAWFKHTO-ZYHUDNBSSA-N 1 0 325.796 2.721 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@H]2C[NH2+]CCO2)c(Cc2ccccc2)c1 ZINC000594698569 478500559 /nfs/dbraw/zinc/50/05/59/478500559.db2.gz MKVKBMQLXHOSFA-QGZVFWFLSA-N 1 0 328.368 2.553 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600742938 478500745 /nfs/dbraw/zinc/50/07/45/478500745.db2.gz GFVLJJVEFVBZGX-HDICACEKSA-N 1 0 333.432 2.813 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC=CCC2)cc1 ZINC000600764211 478509445 /nfs/dbraw/zinc/50/94/45/478509445.db2.gz ZCUWPVHRUCIFKM-CQSZACIVSA-N 1 0 338.429 2.705 10 5 EFBERO C[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)N1CC[NH2+]CC1 ZINC000600781570 478517414 /nfs/dbraw/zinc/51/74/14/478517414.db2.gz FCZNQXUQQOGGKU-AWEZNQCLSA-N 1 0 341.411 2.720 10 5 EFBERO COC(=O)c1ccc(-c2cccc([C@H]3COCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000600783689 478519618 /nfs/dbraw/zinc/51/96/18/478519618.db2.gz GPTDCNIFKLVBIA-MRXNPFEDSA-N 1 0 342.351 2.709 10 5 EFBERO COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571176540 478538819 /nfs/dbraw/zinc/53/88/19/478538819.db2.gz XBOXMDOOOGWSEF-HNNXBMFYSA-N 1 0 344.415 2.963 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000597856867 478542293 /nfs/dbraw/zinc/54/22/93/478542293.db2.gz BXCSCUDGPAHUMW-GFCCVEGCSA-N 1 0 337.445 2.676 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597857596 478543824 /nfs/dbraw/zinc/54/38/24/478543824.db2.gz GIBRCXBZSDFUKN-LLVKDONJSA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597858893 478543972 /nfs/dbraw/zinc/54/39/72/478543972.db2.gz PWHPNOUNGQHNTF-ZDUSSCGKSA-N 1 0 337.445 2.676 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597857368 478544748 /nfs/dbraw/zinc/54/47/48/478544748.db2.gz FPYUHQOGIMQMHA-GFCCVEGCSA-N 1 0 330.388 2.679 10 5 EFBERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418920 478554696 /nfs/dbraw/zinc/55/46/96/478554696.db2.gz ROWFEWINFZMGEF-SUMWQHHRSA-N 1 0 341.415 2.574 10 5 EFBERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418917 478554865 /nfs/dbraw/zinc/55/48/65/478554865.db2.gz ROWFEWINFZMGEF-CXAGYDPISA-N 1 0 341.415 2.574 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000563515435 478575381 /nfs/dbraw/zinc/57/53/81/478575381.db2.gz RPIHWIGHHMCKNS-UHFFFAOYSA-N 1 0 335.407 2.505 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(Cn2c(C)[nH+]c3c2CCCC3)c1 ZINC000594897273 478576751 /nfs/dbraw/zinc/57/67/51/478576751.db2.gz OUPIZGWESCHTIM-UHFFFAOYSA-N 1 0 329.356 2.813 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000571382092 478581833 /nfs/dbraw/zinc/58/18/33/478581833.db2.gz HNZVQZKSFDYQOS-CPUCHLNUSA-N 1 0 333.432 2.887 10 5 EFBERO Cc1cc(NCC2([NH3+])CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000600951900 478582782 /nfs/dbraw/zinc/58/27/82/478582782.db2.gz JBIRSVMZVWYYSY-UHFFFAOYSA-N 1 0 344.209 2.586 10 5 EFBERO CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597947172 478590721 /nfs/dbraw/zinc/59/07/21/478590721.db2.gz UQYNJUACXPDSGZ-TZMCWYRMSA-N 1 0 337.445 2.628 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947592 478591884 /nfs/dbraw/zinc/59/18/84/478591884.db2.gz ZLKLSDLSMFNMEQ-CQSZACIVSA-N 1 0 335.404 2.548 10 5 EFBERO C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000541855713 478597364 /nfs/dbraw/zinc/59/73/64/478597364.db2.gz UVHUZZWVVDJWHX-ZDUSSCGKSA-N 1 0 328.372 2.694 10 5 EFBERO CC[C@H](COCC1CC1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594958080 478603886 /nfs/dbraw/zinc/60/38/86/478603886.db2.gz YNXBLWXZZAZDMF-CQSZACIVSA-N 1 0 336.388 2.661 10 5 EFBERO COC[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000594956723 478604686 /nfs/dbraw/zinc/60/46/86/478604686.db2.gz ZMYBGCLYGGUDPO-INIZCTEOSA-N 1 0 334.372 2.996 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966396 478610397 /nfs/dbraw/zinc/61/03/97/478610397.db2.gz RGAAKBRPPFGCPK-XFJVYGCCSA-N 1 0 342.823 2.904 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594967807 478610513 /nfs/dbraw/zinc/61/05/13/478610513.db2.gz VQYXATILYSWWIG-CYBMUJFWSA-N 1 0 337.420 2.574 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973882 478612981 /nfs/dbraw/zinc/61/29/81/478612981.db2.gz GABYMTSWHCZHMH-JSGCOSHPSA-N 1 0 340.445 2.774 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1c(C)nn(C)c1C ZINC000595004528 478626045 /nfs/dbraw/zinc/62/60/45/478626045.db2.gz TVDWLRLZEFPPPR-LLVKDONJSA-N 1 0 332.404 2.847 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039444 478626706 /nfs/dbraw/zinc/62/67/06/478626706.db2.gz KBRAXVCPIDIGRU-HNNXBMFYSA-N 1 0 349.431 2.938 10 5 EFBERO CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000598039454 478626884 /nfs/dbraw/zinc/62/68/84/478626884.db2.gz KDILLHOATUVEST-TZMCWYRMSA-N 1 0 337.395 2.780 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000595011742 478627810 /nfs/dbraw/zinc/62/78/10/478627810.db2.gz MEFZJZINSOXVKM-CJNGLKHVSA-N 1 0 330.384 2.858 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000595014564 478629483 /nfs/dbraw/zinc/62/94/83/478629483.db2.gz MIMPWMOGCZUSKN-CYBMUJFWSA-N 1 0 343.383 2.684 10 5 EFBERO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598041446 478629496 /nfs/dbraw/zinc/62/94/96/478629496.db2.gz MAOJMVCCXOYGLY-KRWDZBQOSA-N 1 0 348.447 2.730 10 5 EFBERO CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@H+](CC)C1 ZINC000598044169 478630848 /nfs/dbraw/zinc/63/08/48/478630848.db2.gz ZALUSNYHJGCWOT-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000582585118 478635258 /nfs/dbraw/zinc/63/52/58/478635258.db2.gz CTAITBNREMAQBJ-ZIAGYGMSSA-N 1 0 349.434 2.894 10 5 EFBERO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595053639 478643962 /nfs/dbraw/zinc/64/39/62/478643962.db2.gz HORPGASKNSWZBE-JQWIXIFHSA-N 1 0 331.397 2.862 10 5 EFBERO Cc1ccncc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595071187 478650587 /nfs/dbraw/zinc/65/05/87/478650587.db2.gz ANVONOFOUSYGHZ-AWEZNQCLSA-N 1 0 342.399 2.848 10 5 EFBERO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595075491 478652688 /nfs/dbraw/zinc/65/26/88/478652688.db2.gz XLLITEGZOCLBMY-WBMJQRKESA-N 1 0 325.368 2.833 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000595079283 478653358 /nfs/dbraw/zinc/65/33/58/478653358.db2.gz JNKFFKLWNFEUGV-WWGRRREGSA-N 1 0 335.404 2.859 10 5 EFBERO O=C1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N1 ZINC000595090374 478656504 /nfs/dbraw/zinc/65/65/04/478656504.db2.gz NYFFYOBQGNGLIQ-YJBOKZPZSA-N 1 0 325.368 2.552 10 5 EFBERO CC(C)C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+](C)C ZINC000601101655 478657163 /nfs/dbraw/zinc/65/71/63/478657163.db2.gz RIWUOVDSQMLIQB-SECBINFHSA-N 1 0 337.346 2.735 10 5 EFBERO C[C@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104064 478658131 /nfs/dbraw/zinc/65/81/31/478658131.db2.gz ODAQLNPOQDMDFB-SECBINFHSA-N 1 0 335.330 2.633 10 5 EFBERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595096907 478658167 /nfs/dbraw/zinc/65/81/67/478658167.db2.gz OGCYFGWRIVVPER-ZTFGCOKTSA-N 1 0 345.443 2.889 10 5 EFBERO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601109502 478661214 /nfs/dbraw/zinc/66/12/14/478661214.db2.gz RBRLAAXITMSULN-UHFFFAOYSA-N 1 0 349.357 2.881 10 5 EFBERO CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105894 478662625 /nfs/dbraw/zinc/66/26/25/478662625.db2.gz UEMWWBKLBMPNBA-DLBZAZTESA-N 1 0 346.431 2.926 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000601111443 478662626 /nfs/dbraw/zinc/66/26/26/478662626.db2.gz RBMCLKILXREIIB-UHFFFAOYSA-N 1 0 328.294 2.686 10 5 EFBERO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108063 478663829 /nfs/dbraw/zinc/66/38/29/478663829.db2.gz ZCPYQAVUUIMOGZ-BBRMVZONSA-N 1 0 332.404 2.536 10 5 EFBERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108067 478664201 /nfs/dbraw/zinc/66/42/01/478664201.db2.gz ZCPYQAVUUIMOGZ-XJKSGUPXSA-N 1 0 332.404 2.536 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601119819 478667605 /nfs/dbraw/zinc/66/76/05/478667605.db2.gz WSLJQEFEVXAIJK-UWVGGRQHSA-N 1 0 349.357 2.514 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000601137018 478679855 /nfs/dbraw/zinc/67/98/55/478679855.db2.gz PWEXAYGXYGYDHQ-UHFFFAOYSA-N 1 0 331.351 2.852 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894809 478681132 /nfs/dbraw/zinc/68/11/32/478681132.db2.gz BXHMSZCDSMJQSW-DOMZBBRYSA-N 1 0 343.383 2.945 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000598163420 478684661 /nfs/dbraw/zinc/68/46/61/478684661.db2.gz OTBMYAWZWMFCHN-UHFFFAOYSA-N 1 0 337.445 2.729 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CNc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601148569 478687823 /nfs/dbraw/zinc/68/78/23/478687823.db2.gz DDKXDPSYXJATEA-UHFFFAOYSA-N 1 0 329.404 2.979 10 5 EFBERO CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148436 478688218 /nfs/dbraw/zinc/68/82/18/478688218.db2.gz BSVZPEZOGGYFHB-GOSISDBHSA-N 1 0 330.384 2.991 10 5 EFBERO CCN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601152866 478691120 /nfs/dbraw/zinc/69/11/20/478691120.db2.gz HXNREYDFBXIYSO-UHFFFAOYSA-N 1 0 349.357 2.659 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222497 478692939 /nfs/dbraw/zinc/69/29/39/478692939.db2.gz KCIXSCFCMQQMMJ-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595223781 478693071 /nfs/dbraw/zinc/69/30/71/478693071.db2.gz AOZMRYOIRYJJAB-LSDHHAIUSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595221912 478693079 /nfs/dbraw/zinc/69/30/79/478693079.db2.gz RFPAYROELCRRJM-IAGOWNOFSA-N 1 0 339.395 2.860 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595225249 478693364 /nfs/dbraw/zinc/69/33/64/478693364.db2.gz LBIGKDTZYVRUMV-RHSMWYFYSA-N 1 0 331.416 2.898 10 5 EFBERO COc1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000601154892 478694455 /nfs/dbraw/zinc/69/44/55/478694455.db2.gz AOFXAOOTLKPXDQ-UHFFFAOYSA-N 1 0 328.368 2.966 10 5 EFBERO Cc1c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595258666 478704463 /nfs/dbraw/zinc/70/44/63/478704463.db2.gz VSCXLDAWHUWLEH-KRWDZBQOSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258034 478705151 /nfs/dbraw/zinc/70/51/51/478705151.db2.gz QTQQUXFTENSYIP-KRWDZBQOSA-N 1 0 341.367 2.816 10 5 EFBERO COc1cc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000601184843 478711926 /nfs/dbraw/zinc/71/19/26/478711926.db2.gz OZOGDRJWLIYEMK-WDEREUQCSA-N 1 0 325.796 2.645 10 5 EFBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000601188507 478713200 /nfs/dbraw/zinc/71/32/00/478713200.db2.gz IFVFVDMZTWDRAB-CQSZACIVSA-N 1 0 347.337 2.507 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000601190464 478714663 /nfs/dbraw/zinc/71/46/63/478714663.db2.gz ZGLSPESHTJSUOD-VHSXEESVSA-N 1 0 347.341 2.776 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000601215915 478727475 /nfs/dbraw/zinc/72/74/75/478727475.db2.gz ILIYATSTMKQQJP-UHFFFAOYSA-N 1 0 347.415 2.836 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000601216878 478728300 /nfs/dbraw/zinc/72/83/00/478728300.db2.gz YFWAFFVKSVZQRM-UHFFFAOYSA-N 1 0 335.433 2.759 10 5 EFBERO CCc1nn(C)c(N2CCC(CC)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601218093 478729691 /nfs/dbraw/zinc/72/96/91/478729691.db2.gz RWGQQABKENOBPG-UHFFFAOYSA-N 1 0 335.452 2.736 10 5 EFBERO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598263085 478732361 /nfs/dbraw/zinc/73/23/61/478732361.db2.gz PJNAXCCNUXXEHJ-ZDUSSCGKSA-N 1 0 344.415 2.926 10 5 EFBERO CCC1([NH+](C)C)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601229577 478737506 /nfs/dbraw/zinc/73/75/06/478737506.db2.gz UMUBJWLUFQNXKH-UHFFFAOYSA-N 1 0 329.404 2.849 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601237887 478740174 /nfs/dbraw/zinc/74/01/74/478740174.db2.gz NOVJMFFORAIWDO-ZMSDIMECSA-N 1 0 349.456 2.899 10 5 EFBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000601251052 478746554 /nfs/dbraw/zinc/74/65/54/478746554.db2.gz RMVHNTXHDHMECC-CQSZACIVSA-N 1 0 338.795 2.806 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294202 478769346 /nfs/dbraw/zinc/76/93/46/478769346.db2.gz LMEQUTUYPCZVRO-ZDUSSCGKSA-N 1 0 338.404 2.912 10 5 EFBERO CC[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595421097 478770168 /nfs/dbraw/zinc/77/01/68/478770168.db2.gz RIHPZFHNFFYLDS-CQSZACIVSA-N 1 0 332.408 2.620 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CN(c3ccncn3)C1)CCCC2 ZINC000601303945 478775994 /nfs/dbraw/zinc/77/59/94/478775994.db2.gz LLSIRAPXKHOPFA-QGZVFWFLSA-N 1 0 339.399 2.631 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592131008 478788940 /nfs/dbraw/zinc/78/89/40/478788940.db2.gz PDKBWAQRCJZWDI-ULQDDVLXSA-N 1 0 334.416 2.879 10 5 EFBERO [NH3+]C[C@H]1Cc2ccccc2N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601334568 478791628 /nfs/dbraw/zinc/79/16/28/478791628.db2.gz AWUOHPAWAJDJSY-CQSZACIVSA-N 1 0 327.384 2.611 10 5 EFBERO [NH3+]C[C@H]1Cc2ccccc2N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601334614 478791672 /nfs/dbraw/zinc/79/16/72/478791672.db2.gz CBDXLDIDCJLCBD-CQSZACIVSA-N 1 0 327.384 2.611 10 5 EFBERO CCOc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)ccc1[N+](=O)[O-] ZINC000592173377 478813780 /nfs/dbraw/zinc/81/37/80/478813780.db2.gz RBRDGMFQJUARIA-WQVCFCJDSA-N 1 0 340.445 2.992 10 5 EFBERO CC(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000592178383 478815143 /nfs/dbraw/zinc/81/51/43/478815143.db2.gz DKFOVUOAOPSUFV-QGZVFWFLSA-N 1 0 334.416 2.917 10 5 EFBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592183068 478816042 /nfs/dbraw/zinc/81/60/42/478816042.db2.gz CPWMDKNIFHNDFW-IINYFYTJSA-N 1 0 345.321 2.656 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184735 478816682 /nfs/dbraw/zinc/81/66/82/478816682.db2.gz OGMCCNWZYGTCIW-HNNXBMFYSA-N 1 0 333.432 2.761 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CCCN(Cc2cscn2)CC1 ZINC000572378679 478823920 /nfs/dbraw/zinc/82/39/20/478823920.db2.gz NTKBNUIJEXTPGN-UHFFFAOYSA-N 1 0 348.428 2.772 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592256409 478843070 /nfs/dbraw/zinc/84/30/70/478843070.db2.gz YUODPZOICGZGFX-QWHCGFSZSA-N 1 0 337.445 2.817 10 5 EFBERO Cn1cnc(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000592373452 478872265 /nfs/dbraw/zinc/87/22/65/478872265.db2.gz PKMKLEZUEJUZPZ-UHFFFAOYSA-N 1 0 341.371 2.706 10 5 EFBERO COc1cc(C[N@H+](C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591123 478872757 /nfs/dbraw/zinc/87/27/57/478872757.db2.gz DNWXRIYNPAWVCC-INIZCTEOSA-N 1 0 330.384 2.639 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601556117 478876933 /nfs/dbraw/zinc/87/69/33/478876933.db2.gz CVDDQFIXMSCHAR-BETUJISGSA-N 1 0 332.404 2.860 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601560978 478880017 /nfs/dbraw/zinc/88/00/17/478880017.db2.gz ZOQXDEGYRUUTAQ-BXUZGUMPSA-N 1 0 329.356 2.555 10 5 EFBERO Cn1cnc(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000592393668 478881538 /nfs/dbraw/zinc/88/15/38/478881538.db2.gz IVTRMHFQQMETCV-ZBFHGGJFSA-N 1 0 343.431 2.657 10 5 EFBERO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592396711 478883991 /nfs/dbraw/zinc/88/39/91/478883991.db2.gz JHCVWHCNUCFGJZ-FUHWJXTLSA-N 1 0 334.416 2.739 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425513 478891943 /nfs/dbraw/zinc/89/19/43/478891943.db2.gz HMIDEHFMJHXRMR-YOEHRIQHSA-N 1 0 333.432 2.958 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425659 478891984 /nfs/dbraw/zinc/89/19/84/478891984.db2.gz IAJFTQROYHQRAG-HNNXBMFYSA-N 1 0 348.403 2.790 10 5 EFBERO Cc1c(NC(=O)[C@H](C)N2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627439 478898449 /nfs/dbraw/zinc/89/84/49/478898449.db2.gz ZCZMYDYJKKBTMQ-UGSOOPFHSA-N 1 0 347.415 2.731 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595661477 478919563 /nfs/dbraw/zinc/91/95/63/478919563.db2.gz CCFLKSOEAMBIMZ-MRXNPFEDSA-N 1 0 348.447 2.652 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595664441 478922448 /nfs/dbraw/zinc/92/24/48/478922448.db2.gz YNBJHLMQBNJSKP-CQSZACIVSA-N 1 0 334.420 2.609 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595665556 478922479 /nfs/dbraw/zinc/92/24/79/478922479.db2.gz VSHQIZHHSZLNFX-OAHLLOKOSA-N 1 0 348.447 2.652 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537439 478938700 /nfs/dbraw/zinc/93/87/00/478938700.db2.gz CERCQFWKKHHISH-XJKSGUPXSA-N 1 0 349.456 2.678 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571345 478943810 /nfs/dbraw/zinc/94/38/10/478943810.db2.gz XITVQTDQVIGNGO-DOMZBBRYSA-N 1 0 349.456 2.866 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742799 478970323 /nfs/dbraw/zinc/97/03/23/478970323.db2.gz HUGKCYHQCZHVJA-UTUOFQBUSA-N 1 0 346.387 2.655 10 5 EFBERO Cc1c(CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000601737974 478977494 /nfs/dbraw/zinc/97/74/94/478977494.db2.gz HIVNSQSVVYVSMR-UHFFFAOYSA-N 1 0 345.443 2.923 10 5 EFBERO O=C1[C@H]([N@@H+]2CCC[C@@H](CCF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595756301 478978440 /nfs/dbraw/zinc/97/84/40/478978440.db2.gz SMROFWORNSVOSY-XJKSGUPXSA-N 1 0 335.379 2.772 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768737 478985362 /nfs/dbraw/zinc/98/53/62/478985362.db2.gz GRYMZOWWVPERQX-CJNGLKHVSA-N 1 0 332.379 2.968 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000595767788 478986476 /nfs/dbraw/zinc/98/64/76/478986476.db2.gz CTXYSXBNTRMCSO-CVEARBPZSA-N 1 0 344.415 2.838 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595779894 478992581 /nfs/dbraw/zinc/99/25/81/478992581.db2.gz GSCFIEZALMOBEX-STQMWFEESA-N 1 0 341.205 2.750 10 5 EFBERO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000595820260 479015125 /nfs/dbraw/zinc/01/51/25/479015125.db2.gz UAONHERGYBNHRJ-DNOWBOINSA-N 1 0 349.406 2.990 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)co2)cc1 ZINC000595826591 479019141 /nfs/dbraw/zinc/01/91/41/479019141.db2.gz AUNOEIHQSRNRLC-ZIAGYGMSSA-N 1 0 329.356 2.718 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826968 479020106 /nfs/dbraw/zinc/02/01/06/479020106.db2.gz BMKKQIPVDUBGNC-XBFCOCLRSA-N 1 0 344.371 2.674 10 5 EFBERO COc1ccc(OCC[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595829578 479020504 /nfs/dbraw/zinc/02/05/04/479020504.db2.gz WIOODBJQVAHDJX-UHFFFAOYSA-N 1 0 347.371 2.850 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3C(F)F)o2)cc1 ZINC000565539809 479030545 /nfs/dbraw/zinc/03/05/45/479030545.db2.gz UKCJMYRBLDBQSO-AWEZNQCLSA-N 1 0 337.326 2.894 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000595850719 479032506 /nfs/dbraw/zinc/03/25/06/479032506.db2.gz NNAQYRFSXFTRLY-OAHLLOKOSA-N 1 0 349.431 2.730 10 5 EFBERO COC1([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000514655021 479041116 /nfs/dbraw/zinc/04/11/16/479041116.db2.gz KLRYVFBRLKXWPH-ZDUSSCGKSA-N 1 0 347.415 2.792 10 5 EFBERO O=C(C[N@H+](CCC1CC1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595870765 479042566 /nfs/dbraw/zinc/04/25/66/479042566.db2.gz DRZGHRXEFJORPU-UHFFFAOYSA-N 1 0 343.427 2.996 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595873045 479042603 /nfs/dbraw/zinc/04/26/03/479042603.db2.gz JDFZLCMDJLCDDS-UHFFFAOYSA-N 1 0 336.436 2.552 10 5 EFBERO [NH3+]C[C@@H]1CCc2ccccc2N1CCOc1ccccc1[N+](=O)[O-] ZINC000595903505 479061485 /nfs/dbraw/zinc/06/14/85/479061485.db2.gz WYIPLPOTGKMBKQ-HNNXBMFYSA-N 1 0 327.384 2.754 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595909842 479064701 /nfs/dbraw/zinc/06/47/01/479064701.db2.gz SWNOEXNATLIRIC-ZDUSSCGKSA-N 1 0 335.326 2.703 10 5 EFBERO Cc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595925047 479075491 /nfs/dbraw/zinc/07/54/91/479075491.db2.gz TZSAQOALLNHKQM-UHFFFAOYSA-N 1 0 330.344 2.611 10 5 EFBERO Cc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595932596 479076864 /nfs/dbraw/zinc/07/68/64/479076864.db2.gz AUMMFXXKDLXXRE-MRXNPFEDSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595933642 479077563 /nfs/dbraw/zinc/07/75/63/479077563.db2.gz JBZOARHLVNWYPP-CYBMUJFWSA-N 1 0 337.445 2.817 10 5 EFBERO Cc1c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595936121 479078692 /nfs/dbraw/zinc/07/86/92/479078692.db2.gz XIJRINPDCABJHF-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935363 479079188 /nfs/dbraw/zinc/07/91/88/479079188.db2.gz RXJYDCSLQSRMLN-ZDUSSCGKSA-N 1 0 335.379 2.586 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000598917027 479085279 /nfs/dbraw/zinc/08/52/79/479085279.db2.gz PLNYFIJCKSMYOT-FZMZJTMJSA-N 1 0 336.367 2.730 10 5 EFBERO COc1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000598918451 479086234 /nfs/dbraw/zinc/08/62/34/479086234.db2.gz DQMJQWWQHNCOFY-UHFFFAOYSA-N 1 0 343.374 2.670 10 5 EFBERO Nc1cc[nH+]c2c1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000598942401 479093483 /nfs/dbraw/zinc/09/34/83/479093483.db2.gz LJVYQCIPYJBFRN-UHFFFAOYSA-N 1 0 339.277 2.549 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000601975303 479104491 /nfs/dbraw/zinc/10/44/91/479104491.db2.gz NCVZZKJOPQHANF-GFCCVEGCSA-N 1 0 342.399 2.651 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601974050 479104662 /nfs/dbraw/zinc/10/46/62/479104662.db2.gz HYJFBTXAAFAZEL-KDURUIRLSA-N 1 0 345.443 2.964 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601977852 479106403 /nfs/dbraw/zinc/10/64/03/479106403.db2.gz URRBCODEAWBZHP-LLVKDONJSA-N 1 0 337.445 2.825 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598979129 479111909 /nfs/dbraw/zinc/11/19/09/479111909.db2.gz JVHWSOXEOBSPQR-QGZVFWFLSA-N 1 0 346.431 2.801 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000596057439 479112666 /nfs/dbraw/zinc/11/26/66/479112666.db2.gz QWNJRVAOSNBMHH-KRWDZBQOSA-N 1 0 331.416 2.926 10 5 EFBERO COc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000598985133 479115193 /nfs/dbraw/zinc/11/51/93/479115193.db2.gz JCAVSBBCLATRBX-SFHVURJKSA-N 1 0 344.367 2.923 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCCO3)s2)cc1 ZINC000598990159 479116001 /nfs/dbraw/zinc/11/60/01/479116001.db2.gz IHJLRDZKEYCEFB-CVEARBPZSA-N 1 0 348.424 2.953 10 5 EFBERO C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066448 479116509 /nfs/dbraw/zinc/11/65/09/479116509.db2.gz DHHQDWUSQLJAMY-ACJLOTCBSA-N 1 0 343.383 2.635 10 5 EFBERO CCc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000592998349 479119291 /nfs/dbraw/zinc/11/92/91/479119291.db2.gz RHZDEUQQYDTALX-INIZCTEOSA-N 1 0 330.384 2.687 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000599000055 479120293 /nfs/dbraw/zinc/12/02/93/479120293.db2.gz RVJRSLLKPFNDDW-KRWDZBQOSA-N 1 0 325.368 2.820 10 5 EFBERO COc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000598999124 479120684 /nfs/dbraw/zinc/12/06/84/479120684.db2.gz JRENTJVVRBTMEG-HNNXBMFYSA-N 1 0 349.431 2.719 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000598999451 479120955 /nfs/dbraw/zinc/12/09/55/479120955.db2.gz NCGBKGFXQPQEOH-QGZVFWFLSA-N 1 0 325.368 2.820 10 5 EFBERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000599004977 479123586 /nfs/dbraw/zinc/12/35/86/479123586.db2.gz XUICPPVYFPAQGJ-HNNXBMFYSA-N 1 0 347.440 2.744 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1 ZINC000593028407 479131397 /nfs/dbraw/zinc/13/13/97/479131397.db2.gz FMDRKQYBPTZBHM-DOMZBBRYSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000593025654 479131877 /nfs/dbraw/zinc/13/18/77/479131877.db2.gz PENMQDHZPZSMKB-CQSZACIVSA-N 1 0 336.388 2.817 10 5 EFBERO C[NH+](C)CCn1cc(Nc2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC000599036749 479133600 /nfs/dbraw/zinc/13/36/00/479133600.db2.gz ULLSZPOXKRTUSE-UHFFFAOYSA-N 1 0 326.360 2.645 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000593029591 479133625 /nfs/dbraw/zinc/13/36/25/479133625.db2.gz CRAXJOTUGCXTNM-IMJJTQAJSA-N 1 0 348.399 2.675 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1 ZINC000593035103 479136375 /nfs/dbraw/zinc/13/63/75/479136375.db2.gz XFUDHZWJMTVVCL-GTNSWQLSSA-N 1 0 336.388 2.675 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000593036758 479136489 /nfs/dbraw/zinc/13/64/89/479136489.db2.gz SLPVGZGHOLOTDT-UHFFFAOYSA-N 1 0 349.431 2.688 10 5 EFBERO CCOc1ccc(NC(=O)CN2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593038346 479137369 /nfs/dbraw/zinc/13/73/69/479137369.db2.gz IDGSSRKIESWIAX-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593051011 479143158 /nfs/dbraw/zinc/14/31/58/479143158.db2.gz KNSSANZVQOPJMT-IUODEOHRSA-N 1 0 337.420 2.619 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596109926 479143097 /nfs/dbraw/zinc/14/30/97/479143097.db2.gz HQRPTGIPSXQPQN-LLVKDONJSA-N 1 0 343.811 2.780 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599067211 479145980 /nfs/dbraw/zinc/14/59/80/479145980.db2.gz YENYQJFAXCEUGZ-VHDGCEQUSA-N 1 0 340.445 2.595 10 5 EFBERO CN1CCOC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082674 479153314 /nfs/dbraw/zinc/15/33/14/479153314.db2.gz XWZNJBRQKXJTHN-RBUKOAKNSA-N 1 0 341.411 2.604 10 5 EFBERO CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000599085078 479155777 /nfs/dbraw/zinc/15/57/77/479155777.db2.gz LIYGKTMSMZNPRS-DGCLKSJQSA-N 1 0 349.412 2.545 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000599093928 479159991 /nfs/dbraw/zinc/15/99/91/479159991.db2.gz YOYDAIBNVHJXTC-ZBINZKHDSA-N 1 0 332.360 2.775 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146820 479163775 /nfs/dbraw/zinc/16/37/75/479163775.db2.gz QGJPAEBHWFQGSH-NXEZZACHSA-N 1 0 341.795 2.929 10 5 EFBERO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599127165 479170225 /nfs/dbraw/zinc/17/02/25/479170225.db2.gz QJZLBMGPEZZOMJ-HNNXBMFYSA-N 1 0 346.431 2.773 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128018 479172108 /nfs/dbraw/zinc/17/21/08/479172108.db2.gz VLSLJJIMDKBACS-HNNXBMFYSA-N 1 0 346.431 2.773 10 5 EFBERO CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596167397 479176045 /nfs/dbraw/zinc/17/60/45/479176045.db2.gz GNZCWGJLDZNATR-CJNGLKHVSA-N 1 0 334.420 2.782 10 5 EFBERO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164025 479190444 /nfs/dbraw/zinc/19/04/44/479190444.db2.gz HWMWZZCUWMOVQC-ZDUSSCGKSA-N 1 0 348.403 2.595 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1 ZINC000593126437 479192736 /nfs/dbraw/zinc/19/27/36/479192736.db2.gz VGZAMEBMCPFWJJ-ULQDDVLXSA-N 1 0 342.399 2.786 10 5 EFBERO CC[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH2+]1 ZINC000599182136 479197805 /nfs/dbraw/zinc/19/78/05/479197805.db2.gz ZGUGGHZCWILVHN-DZGCQCFKSA-N 1 0 341.415 2.937 10 5 EFBERO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596205758 479198395 /nfs/dbraw/zinc/19/83/95/479198395.db2.gz LJYKUOMCQLHJBH-UHFFFAOYSA-N 1 0 343.811 2.813 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000599183749 479200027 /nfs/dbraw/zinc/20/00/27/479200027.db2.gz SUUBLLWRNRIMBA-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3C3(O)CC3)o2)cc1 ZINC000556780274 479204625 /nfs/dbraw/zinc/20/46/25/479204625.db2.gz VRELRDVQKIFQRJ-AWEZNQCLSA-N 1 0 344.371 2.524 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599207376 479210089 /nfs/dbraw/zinc/21/00/89/479210089.db2.gz ULOTWUXZTFNZDV-INIZCTEOSA-N 1 0 346.431 2.753 10 5 EFBERO COC(=O)c1c(Cl)c(N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596246797 479222591 /nfs/dbraw/zinc/22/25/91/479222591.db2.gz ZGZDZCPMDTVAGM-ZJUUUORDSA-N 1 0 341.795 2.564 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000596279283 479235190 /nfs/dbraw/zinc/23/51/90/479235190.db2.gz RXRXSVZTHRJQEY-SNVBAGLBSA-N 1 0 341.795 2.565 10 5 EFBERO CN1CCO[C@H](CSc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596284542 479237741 /nfs/dbraw/zinc/23/77/41/479237741.db2.gz AFOIMTDQURULFA-VIFPVBQESA-N 1 0 347.234 2.780 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593205436 479239230 /nfs/dbraw/zinc/23/92/30/479239230.db2.gz ZEYNKOFJMVNXND-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000556974062 479244172 /nfs/dbraw/zinc/24/41/72/479244172.db2.gz JZIXJKJLPLXTAN-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000596314971 479250592 /nfs/dbraw/zinc/25/05/92/479250592.db2.gz VKNWXNWDLGYOBV-UHFFFAOYSA-N 1 0 348.447 2.910 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596423632 479288403 /nfs/dbraw/zinc/28/84/03/479288403.db2.gz MZELQWBVSGYAIM-MRXNPFEDSA-N 1 0 345.374 2.913 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596424546 479288820 /nfs/dbraw/zinc/28/88/20/479288820.db2.gz RVGZYOSEEXROBN-OAHLLOKOSA-N 1 0 345.374 2.913 10 5 EFBERO COc1cncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599433893 479296028 /nfs/dbraw/zinc/29/60/28/479296028.db2.gz MDQLLNHCDCPHES-AWEZNQCLSA-N 1 0 328.372 2.773 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC3CCOCC3)C2)cc1 ZINC000599434292 479296731 /nfs/dbraw/zinc/29/67/31/479296731.db2.gz XGZLJWMKBSARBS-MRXNPFEDSA-N 1 0 334.416 2.970 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179378 479303393 /nfs/dbraw/zinc/30/33/93/479303393.db2.gz CADRALRXBDZFBM-LLVKDONJSA-N 1 0 327.331 2.819 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596488480 479314179 /nfs/dbraw/zinc/31/41/79/479314179.db2.gz PYPMTMHSMGGVIV-UHFFFAOYSA-N 1 0 326.372 2.976 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585717003 479315096 /nfs/dbraw/zinc/31/50/96/479315096.db2.gz SQMMAJGOJAUPRW-NVXWUHKLSA-N 1 0 333.432 2.843 10 5 EFBERO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000599533986 479323497 /nfs/dbraw/zinc/32/34/97/479323497.db2.gz TXIDQGFDCGZECT-UHFFFAOYSA-N 1 0 331.401 2.926 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000585781969 479325411 /nfs/dbraw/zinc/32/54/11/479325411.db2.gz GYPISXYTXYITOH-HOTGVXAUSA-N 1 0 349.431 2.681 10 5 EFBERO CCCC[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000574673492 479327610 /nfs/dbraw/zinc/32/76/10/479327610.db2.gz CDWQHOUPBFKILK-MRXNPFEDSA-N 1 0 333.388 2.940 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552818 479331237 /nfs/dbraw/zinc/33/12/37/479331237.db2.gz JFTHXBNDJFMGDM-KGLIPLIRSA-N 1 0 336.413 2.851 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273853 479333103 /nfs/dbraw/zinc/33/31/03/479333103.db2.gz PRMZZFGRDIJYMV-DZGCQCFKSA-N 1 0 349.431 2.528 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000596568232 479342651 /nfs/dbraw/zinc/34/26/51/479342651.db2.gz QZXSMEKJMAHDJE-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596567320 479342658 /nfs/dbraw/zinc/34/26/58/479342658.db2.gz SFSNNTVTSONCRO-INIZCTEOSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000596569176 479343349 /nfs/dbraw/zinc/34/33/49/479343349.db2.gz VEDHCUZBXNOYIZ-GFCCVEGCSA-N 1 0 327.812 2.795 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000596568726 479343560 /nfs/dbraw/zinc/34/35/60/479343560.db2.gz UKCQZJTUJVNJQM-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599596278 479346237 /nfs/dbraw/zinc/34/62/37/479346237.db2.gz QTXJDQCCBJQPDN-GOSISDBHSA-N 1 0 349.431 2.763 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000596579543 479346216 /nfs/dbraw/zinc/34/62/16/479346216.db2.gz OUEOMHSHHQYGCU-UHFFFAOYSA-N 1 0 336.436 2.823 10 5 EFBERO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596580352 479346470 /nfs/dbraw/zinc/34/64/70/479346470.db2.gz WEFJKNPLOKLFQO-OAHLLOKOSA-N 1 0 334.420 2.529 10 5 EFBERO C[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[NH2+]1 ZINC000599602965 479348468 /nfs/dbraw/zinc/34/84/68/479348468.db2.gz BGQXTMOXVOSIBS-WCBMZHEXSA-N 1 0 346.309 2.876 10 5 EFBERO C[NH+](C)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000593462767 479352261 /nfs/dbraw/zinc/35/22/61/479352261.db2.gz YWTHJLOSKWQAPV-UHFFFAOYSA-N 1 0 330.388 2.666 10 5 EFBERO C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000593462390 479352271 /nfs/dbraw/zinc/35/22/71/479352271.db2.gz VPFVBINPZNHDRL-CYBMUJFWSA-N 1 0 330.388 2.523 10 5 EFBERO CC(C)OCC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593465670 479353095 /nfs/dbraw/zinc/35/30/95/479353095.db2.gz QHGGOVWZXHKRBO-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)[C@]1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000593468240 479355081 /nfs/dbraw/zinc/35/50/81/479355081.db2.gz PQRZGFSDSZSDRG-INIZCTEOSA-N 1 0 332.429 2.992 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599623803 479356941 /nfs/dbraw/zinc/35/69/41/479356941.db2.gz XNEHKAKLLAVMNH-OAHLLOKOSA-N 1 0 333.432 2.843 10 5 EFBERO C[NH+](C)C[C@H](CNc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593477924 479359896 /nfs/dbraw/zinc/35/98/96/479359896.db2.gz NBCJGVCWHOJVLZ-ZDUSSCGKSA-N 1 0 334.807 2.822 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587344476 479371169 /nfs/dbraw/zinc/37/11/69/479371169.db2.gz KBEYYJNZBKAYOG-NFAWXSAZSA-N 1 0 348.447 2.511 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599668108 479379765 /nfs/dbraw/zinc/37/97/65/479379765.db2.gz CRBMPOGPOZLKMK-UHFFFAOYSA-N 1 0 347.459 2.980 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599669499 479381301 /nfs/dbraw/zinc/38/13/01/479381301.db2.gz NEXINSNUCZUJBQ-UHFFFAOYSA-N 1 0 333.432 2.672 10 5 EFBERO CCC1(N2CCOCC2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599670120 479381440 /nfs/dbraw/zinc/38/14/40/479381440.db2.gz SQRFIEAKZGOWNV-UHFFFAOYSA-N 1 0 347.459 2.714 10 5 EFBERO COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599709103 479401095 /nfs/dbraw/zinc/40/10/95/479401095.db2.gz PLGKAKIYCNMTES-DABQJJPHSA-N 1 0 336.388 2.765 10 5 EFBERO COc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc1[N+](=O)[O-] ZINC000611516682 479402572 /nfs/dbraw/zinc/40/25/72/479402572.db2.gz SHGGDBVXQSTCBH-UHFFFAOYSA-N 1 0 328.368 2.910 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCn2cncn2)c2ccccc2)c1 ZINC000611521322 479403527 /nfs/dbraw/zinc/40/35/27/479403527.db2.gz BIBRTDOPWHFFQO-SFHVURJKSA-N 1 0 337.383 2.956 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593652860 479413569 /nfs/dbraw/zinc/41/35/69/479413569.db2.gz NIOGGFBXPKFUNB-LJQANCHMSA-N 1 0 326.396 2.869 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@]3(O)CCOC3)s2)cc1 ZINC000593671374 479417241 /nfs/dbraw/zinc/41/72/41/479417241.db2.gz RQWRSJPPKQWDDP-KRWDZBQOSA-N 1 0 348.424 2.954 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694950 479424775 /nfs/dbraw/zinc/42/47/75/479424775.db2.gz UWYUUEQPZCTUFT-GMNBZTITSA-N 1 0 339.395 2.974 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000593694646 479424896 /nfs/dbraw/zinc/42/48/96/479424896.db2.gz PCGGOMKSLNPDTO-HNNXBMFYSA-N 1 0 331.347 2.600 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593703685 479429981 /nfs/dbraw/zinc/42/99/81/479429981.db2.gz LRDWIPBHROSNMQ-CYBMUJFWSA-N 1 0 342.399 2.875 10 5 EFBERO CCc1ccc([C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593718814 479433247 /nfs/dbraw/zinc/43/32/47/479433247.db2.gz PYPWVYUSCSSPAK-IIYDPXPESA-N 1 0 343.383 2.693 10 5 EFBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730191 479436369 /nfs/dbraw/zinc/43/63/69/479436369.db2.gz LKGAOXNEVNRQQV-OAUYIBNBSA-N 1 0 337.395 2.595 10 5 EFBERO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829279 479442603 /nfs/dbraw/zinc/44/26/03/479442603.db2.gz FCDCKFPWVBUMRP-NSHDSACASA-N 1 0 331.376 2.605 10 5 EFBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833737 479444421 /nfs/dbraw/zinc/44/44/21/479444421.db2.gz XVRLOPIZQQZOEY-NWDGAFQWSA-N 1 0 343.387 2.699 10 5 EFBERO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@H+]1C ZINC000599833736 479444444 /nfs/dbraw/zinc/44/44/44/479444444.db2.gz XVRLOPIZQQZOEY-NEPJUHHUSA-N 1 0 343.387 2.699 10 5 EFBERO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596833072 479446705 /nfs/dbraw/zinc/44/67/05/479446705.db2.gz VTLYGXSJALNXIK-LBPRGKRZSA-N 1 0 336.392 2.598 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000596842140 479450972 /nfs/dbraw/zinc/45/09/72/479450972.db2.gz CUKVFORJHMFTIL-UHFFFAOYSA-N 1 0 338.408 2.845 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000593760511 479451149 /nfs/dbraw/zinc/45/11/49/479451149.db2.gz UKACFLIDPLIRSC-UHFFFAOYSA-N 1 0 332.404 2.784 10 5 EFBERO CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000588963889 479464024 /nfs/dbraw/zinc/46/40/24/479464024.db2.gz AAANHGKNOQZCJW-LBPRGKRZSA-N 1 0 345.403 2.852 10 5 EFBERO CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000588963888 479464723 /nfs/dbraw/zinc/46/47/23/479464723.db2.gz AAANHGKNOQZCJW-GFCCVEGCSA-N 1 0 345.403 2.852 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH2+]C ZINC000593913655 479506217 /nfs/dbraw/zinc/50/62/17/479506217.db2.gz BOTVZRYYRGJDCI-UHFFFAOYSA-N 1 0 343.383 2.643 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602734073 479515011 /nfs/dbraw/zinc/51/50/11/479515011.db2.gz XUXBLIAIDPLPQW-SSZFMOIBSA-N 1 0 348.443 2.845 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CCC(OC)CC2)c1 ZINC000589500110 479533645 /nfs/dbraw/zinc/53/36/45/479533645.db2.gz XROGFEAMEIFHPQ-UHFFFAOYSA-N 1 0 336.388 2.771 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589506879 479535099 /nfs/dbraw/zinc/53/50/99/479535099.db2.gz YVFMBLVGPBOEFM-WMLDXEAASA-N 1 0 336.388 2.675 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506626 479536142 /nfs/dbraw/zinc/53/61/42/479536142.db2.gz LIJVGEADNALDKG-HZPDHXFCSA-N 1 0 348.399 2.819 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594045729 479566126 /nfs/dbraw/zinc/56/61/26/479566126.db2.gz YZRONQRCQWLGJB-GDBMZVCRSA-N 1 0 335.404 2.779 10 5 EFBERO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095545 479571535 /nfs/dbraw/zinc/57/15/35/479571535.db2.gz YDNBDQXALMXEDE-SECBINFHSA-N 1 0 343.815 2.682 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594106495 479590515 /nfs/dbraw/zinc/59/05/15/479590515.db2.gz ZJHIYBRUHRFJLO-SGMGOOAPSA-N 1 0 337.445 2.532 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590183925 479614786 /nfs/dbraw/zinc/61/47/86/479614786.db2.gz DWIPWEVYHVRPCK-QMTHXVAHSA-N 1 0 329.322 2.750 10 5 EFBERO CC(C)NC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597231099 479632950 /nfs/dbraw/zinc/63/29/50/479632950.db2.gz IJIIFDHXXJQTJU-WHWKNOJMSA-N 1 0 331.416 2.845 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000597231846 479633843 /nfs/dbraw/zinc/63/38/43/479633843.db2.gz RUENYLHZMGHJBI-PWSUYJOCSA-N 1 0 328.315 2.665 10 5 EFBERO CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597235830 479634883 /nfs/dbraw/zinc/63/48/83/479634883.db2.gz LFRXXUTVOBSUFT-KRWDZBQOSA-N 1 0 347.459 2.749 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1CN1CCOC[C@@H]1CC1CCC1)OCCO2 ZINC000590381888 479636971 /nfs/dbraw/zinc/63/69/71/479636971.db2.gz ROPRMOWSGVBQRX-HNNXBMFYSA-N 1 0 348.399 2.757 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000590381725 479637354 /nfs/dbraw/zinc/63/73/54/479637354.db2.gz CZXNVRLIRPOKDA-INIZCTEOSA-N 1 0 348.399 2.772 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590445860 479649350 /nfs/dbraw/zinc/64/93/50/479649350.db2.gz TXOBBBMJRXDKIV-IUODEOHRSA-N 1 0 349.456 2.873 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590445869 479649532 /nfs/dbraw/zinc/64/95/32/479649532.db2.gz TXOBBBMJRXDKIV-WFASDCNBSA-N 1 0 349.456 2.873 10 5 EFBERO COC(=O)c1c(Cl)c(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590569282 479661503 /nfs/dbraw/zinc/66/15/03/479661503.db2.gz NVSOIPJVSWGTOA-UHFFFAOYSA-N 1 0 329.784 2.787 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cnn(CC[NH+](C)C)c1 ZINC000615720716 479743800 /nfs/dbraw/zinc/74/38/00/479743800.db2.gz UPSQDLQYMMELHO-ZROIWOOFSA-N 1 0 329.404 2.868 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609766294 480203124 /nfs/dbraw/zinc/20/31/24/480203124.db2.gz HANDRSIJOVCIJP-CQSZACIVSA-N 1 0 331.372 2.767 10 5 EFBERO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420513 480301284 /nfs/dbraw/zinc/30/12/84/480301284.db2.gz DMOGHUWAIDIKGW-GOEBONIOSA-N 1 0 333.432 2.889 10 5 EFBERO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610518982 480328375 /nfs/dbraw/zinc/32/83/75/480328375.db2.gz KVLXWRPNGPVSGZ-INIZCTEOSA-N 1 0 336.413 2.810 10 5 EFBERO C[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617717672 480333829 /nfs/dbraw/zinc/33/38/29/480333829.db2.gz RUZHPZGQCCIRSW-LBPRGKRZSA-N 1 0 337.339 2.918 10 5 EFBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187985251 534264152 /nfs/dbraw/zinc/26/41/52/534264152.db2.gz GMJVPPIOXOWWMY-PXAZEXFGSA-N 1 0 346.387 2.628 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000190816172 519842807 /nfs/dbraw/zinc/84/28/07/519842807.db2.gz BGLDNEPEYSBPHR-UHFFFAOYSA-N 1 0 349.431 2.764 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000119610489 521620087 /nfs/dbraw/zinc/62/00/87/521620087.db2.gz IBVSAUZHNMZLNY-MRXNPFEDSA-N 1 0 348.447 2.701 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176967059 521627505 /nfs/dbraw/zinc/62/75/05/521627505.db2.gz HZZUYGFMDYKZIB-QGZVFWFLSA-N 1 0 348.447 2.730 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177044464 521652510 /nfs/dbraw/zinc/65/25/10/521652510.db2.gz FHWDKQUFPATRLH-ZDUSSCGKSA-N 1 0 325.796 2.805 10 5 EFBERO C[NH+](C)C[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000061655918 521843096 /nfs/dbraw/zinc/84/30/96/521843096.db2.gz RSLLOOOJVLHLAG-NSHDSACASA-N 1 0 328.210 2.888 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614299 522531512 /nfs/dbraw/zinc/53/15/12/522531512.db2.gz XNRUPOCJXYKSMC-QWHCGFSZSA-N 1 0 329.404 2.723 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611278 522532193 /nfs/dbraw/zinc/53/21/93/522532193.db2.gz YJWCUCKBQBMVFL-TZMCWYRMSA-N 1 0 329.404 2.723 10 5 EFBERO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408416 523881318 /nfs/dbraw/zinc/88/13/18/523881318.db2.gz HBMCNYGUZXICCH-CZUORRHYSA-N 1 0 333.432 2.960 10 5 EFBERO CN1CCO[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000245995376 523951874 /nfs/dbraw/zinc/95/18/74/523951874.db2.gz RGDPGBRIXPUTAX-RTBURBONSA-N 1 0 341.411 2.604 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000068121764 524106625 /nfs/dbraw/zinc/10/66/25/524106625.db2.gz XJMBWIAGCMPMFH-OAHLLOKOSA-N 1 0 348.447 2.778 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179790419 524335780 /nfs/dbraw/zinc/33/57/80/524335780.db2.gz KDOVUTCLZBRITH-DZGCQCFKSA-N 1 0 333.432 2.979 10 5 EFBERO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccc(F)cc1 ZINC000191759368 534843004 /nfs/dbraw/zinc/84/30/04/534843004.db2.gz OAULUXQGVKERGY-QGZVFWFLSA-N 1 0 343.358 2.625 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245439623 525454735 /nfs/dbraw/zinc/45/47/35/525454735.db2.gz FYCSMEFTBHFUIN-HIFRSBDPSA-N 1 0 347.415 2.691 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173946886 534880100 /nfs/dbraw/zinc/88/01/00/534880100.db2.gz BPKVRHOZAFREPD-UHFFFAOYSA-N 1 0 339.461 2.733 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000178051822 525930193 /nfs/dbraw/zinc/93/01/93/525930193.db2.gz SDSIJPBPVVBEGU-ZDUSSCGKSA-N 1 0 338.371 2.730 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261772304 525989161 /nfs/dbraw/zinc/98/91/61/525989161.db2.gz FTPHOUBBMWRYJU-RISCZKNCSA-N 1 0 337.445 2.661 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245430997 526084636 /nfs/dbraw/zinc/08/46/36/526084636.db2.gz NVFAKEDLWBSHKP-VQIMIIECSA-N 1 0 346.475 2.758 10 5 EFBERO CC(C)(C)[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000130085032 526287082 /nfs/dbraw/zinc/28/70/82/526287082.db2.gz CTYRSHMWHVCCHW-UHFFFAOYSA-N 1 0 348.403 2.601 10 5 EFBERO [NH3+]CC[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834940 527194253 /nfs/dbraw/zinc/19/42/53/527194253.db2.gz JHGKXVDMLGPOIF-SNVBAGLBSA-N 1 0 328.210 2.923 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000188040310 527751603 /nfs/dbraw/zinc/75/16/03/527751603.db2.gz VAPDSYRMUPCGBL-IUODEOHRSA-N 1 0 349.431 2.714 10 5 EFBERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174661196 528130319 /nfs/dbraw/zinc/13/03/19/528130319.db2.gz RTDDTSRMQVXQKR-DYVFJYSZSA-N 1 0 332.404 2.626 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154692560 528233222 /nfs/dbraw/zinc/23/32/22/528233222.db2.gz YNQCLXZAUWQXIK-LBPRGKRZSA-N 1 0 330.388 2.603 10 5 EFBERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174657521 528654350 /nfs/dbraw/zinc/65/43/50/528654350.db2.gz NGXNCEABRVUTQT-KDOFPFPSSA-N 1 0 346.431 2.702 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184228707 529068309 /nfs/dbraw/zinc/06/83/09/529068309.db2.gz UHHDSUNKWMMVGH-CYBMUJFWSA-N 1 0 325.384 2.659 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000356809306 535017163 /nfs/dbraw/zinc/01/71/63/535017163.db2.gz OLPUAWHOORHIPX-SNVBAGLBSA-N 1 0 345.346 2.655 10 5 EFBERO CC(C)(NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418433578 535224839 /nfs/dbraw/zinc/22/48/39/535224839.db2.gz UHTIIDMCJOXGQP-MRXNPFEDSA-N 1 0 342.399 2.829 10 5 EFBERO CCOC(=O)CC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000434611800 535620330 /nfs/dbraw/zinc/62/03/30/535620330.db2.gz KXLQBEJBDSWTAN-UHFFFAOYSA-N 1 0 336.388 2.829 10 5 EFBERO CCOc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360621488 535705264 /nfs/dbraw/zinc/70/52/64/535705264.db2.gz SNJSLBYPRVNUOR-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC[C@@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003001 535898251 /nfs/dbraw/zinc/89/82/51/535898251.db2.gz ZFWJILFUNJLWIH-CRAIPNDOSA-N 1 0 333.432 2.922 10 5 EFBERO COC(=O)c1cc(NCCCC[N@H+](C)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000413349686 536566072 /nfs/dbraw/zinc/56/60/72/536566072.db2.gz SWWWEHRXKQFFTL-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO COC(=O)c1ccc(OCc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000593013898 546378055 /nfs/dbraw/zinc/37/80/55/546378055.db2.gz XPOUAUOPWGBYCC-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761520351 576174073 /nfs/dbraw/zinc/17/40/73/576174073.db2.gz BUFSZGNIJRNMNT-UHFFFAOYSA-N 1 0 339.823 2.985 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000755009508 575529644 /nfs/dbraw/zinc/52/96/44/575529644.db2.gz CZIYGQCVAHMYIM-PFONDFGASA-N 1 0 331.416 2.990 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000757795579 575853124 /nfs/dbraw/zinc/85/31/24/575853124.db2.gz RCQGWAFMMOYAKE-ZNBMNBLBSA-N 1 0 345.399 2.676 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000757795577 575853181 /nfs/dbraw/zinc/85/31/81/575853181.db2.gz RCQGWAFMMOYAKE-YKHQIWRUSA-N 1 0 345.399 2.676 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763465699 576378424 /nfs/dbraw/zinc/37/84/24/576378424.db2.gz CDYVBSPRCBBKIP-OAHLLOKOSA-N 1 0 328.796 2.515 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000725791417 577225980 /nfs/dbraw/zinc/22/59/80/577225980.db2.gz NRNLSMPVSOUGMC-XQRVVYSFSA-N 1 0 333.388 2.535 10 5 EFBERO CS[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000772576395 581342429 /nfs/dbraw/zinc/34/24/29/581342429.db2.gz FWLHZXHSWNCMRM-KBPBESRZSA-N 1 0 343.399 2.889 10 5 EFBERO Cc1csc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001691310062 1248643961 /nfs/dbraw/zinc/64/39/61/1248643961.db2.gz HZCYKMQFCGLXGI-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC001691457254 1249165668 /nfs/dbraw/zinc/16/56/68/1249165668.db2.gz YPDHAMAMCOLQGP-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO COc1ccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1[N+](=O)[O-] ZINC000850378453 1250454757 /nfs/dbraw/zinc/45/47/57/1250454757.db2.gz DKEUGGCXIFBRSV-KGLIPLIRSA-N 1 0 328.315 2.507 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458430 1266074859 /nfs/dbraw/zinc/07/48/59/1266074859.db2.gz PHRVQMVTRBKAPJ-GXFFZTMASA-N 1 0 334.294 2.803 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458428 1266075263 /nfs/dbraw/zinc/07/52/63/1266075263.db2.gz PHRVQMVTRBKAPJ-GWCFXTLKSA-N 1 0 334.294 2.803 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)s1 ZINC001670907177 1258025181 /nfs/dbraw/zinc/02/51/81/1258025181.db2.gz OZGYWPLMXQSYTD-UHFFFAOYSA-N 1 0 349.387 2.848 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000923417056 1261616988 /nfs/dbraw/zinc/61/69/88/1261616988.db2.gz TUXSLGATQOIENN-KGLIPLIRSA-N 1 0 340.221 2.684 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923414683 1261628041 /nfs/dbraw/zinc/62/80/41/1261628041.db2.gz NCKXHPJTZUWAKF-IRXDYDNUSA-N 1 0 327.384 2.927 10 5 EFBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493143 1261777005 /nfs/dbraw/zinc/77/70/05/1261777005.db2.gz DUFYIVFCOBLOSV-ZYHUDNBSSA-N 1 0 342.237 2.774 10 5 EFBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923493138 1261777456 /nfs/dbraw/zinc/77/74/56/1261777456.db2.gz DUFYIVFCOBLOSV-CMPLNLGQSA-N 1 0 342.237 2.774 10 5 EFBERO C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001687491115 1262772479 /nfs/dbraw/zinc/77/24/79/1262772479.db2.gz XPCHZQZLEHOTPG-LBPRGKRZSA-N 1 0 343.387 2.616 10 5 EFBERO CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001486361532 1262938193 /nfs/dbraw/zinc/93/81/93/1262938193.db2.gz ZZPNLWCFMVUKGJ-UHFFFAOYSA-N 1 0 343.374 2.919 10 5 EFBERO Cn1nc2c(c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000921976076 1263964177 /nfs/dbraw/zinc/96/41/77/1263964177.db2.gz LETMMQCCUPXJME-UHFFFAOYSA-N 1 0 334.807 2.803 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824655693 1278221338 /nfs/dbraw/zinc/22/13/38/1278221338.db2.gz ZASKKDIEARTERB-DJSGYFEHSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC000824655845 1278221225 /nfs/dbraw/zinc/22/12/25/1278221225.db2.gz ZZFJNYFVYNJYOM-WOSRLPQWSA-N 1 0 340.807 2.610 10 5 EFBERO O=C1C[C@@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000922782821 1266779546 /nfs/dbraw/zinc/77/95/46/1266779546.db2.gz VJCSBADLABIPLK-GFCCVEGCSA-N 1 0 345.424 2.939 10 5 EFBERO CCOc1cc(NC(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000823366385 1265317246 /nfs/dbraw/zinc/31/72/46/1265317246.db2.gz WOSMYWONITUGKF-UHFFFAOYSA-N 1 0 336.392 2.551 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000823391917 1265330053 /nfs/dbraw/zinc/33/00/53/1265330053.db2.gz FWCQBXSLKYXIGI-GJZGRUSLSA-N 1 0 347.415 2.596 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922612061 1266458727 /nfs/dbraw/zinc/45/87/27/1266458727.db2.gz UIUZXAYPVBWYCX-QGZVFWFLSA-N 1 0 338.404 2.667 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922754582 1266737704 /nfs/dbraw/zinc/73/77/04/1266737704.db2.gz YZPLFDBWLCBIRB-CQSZACIVSA-N 1 0 349.353 2.966 10 5 EFBERO COc1ccc([N+](=O)[O-])c(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC000716223239 1267376395 /nfs/dbraw/zinc/37/63/95/1267376395.db2.gz QEYKRLMSEHMFDP-UHFFFAOYSA-N 1 0 328.372 2.542 10 5 EFBERO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000740888320 1269154622 /nfs/dbraw/zinc/15/46/22/1269154622.db2.gz PPGVELWXTMFJBB-LLVKDONJSA-N 1 0 343.811 2.932 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742427926 1270049529 /nfs/dbraw/zinc/04/95/29/1270049529.db2.gz UJCPFOBMKPJSFQ-WOLRVDTOSA-N 1 0 333.388 2.677 10 5 EFBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785581997 1275118266 /nfs/dbraw/zinc/11/82/66/1275118266.db2.gz QKHLHOLQMOEWPD-BTDLBPIBSA-N 1 0 348.330 2.674 10 5 EFBERO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785576104 1275132121 /nfs/dbraw/zinc/13/21/21/1275132121.db2.gz ZYGSSNSIUQMIGB-VFZGTOFNSA-N 1 0 336.369 2.597 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000844403606 1278953799 /nfs/dbraw/zinc/95/37/99/1278953799.db2.gz HOXSVIXTXJFKNC-CYBMUJFWSA-N 1 0 339.367 2.563 10 5 EFBERO CC[NH+]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787887974 1275956375 /nfs/dbraw/zinc/95/63/75/1275956375.db2.gz PUZRKOCFKHZWOB-UHFFFAOYSA-N 1 0 328.210 2.808 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001143982196 1279012893 /nfs/dbraw/zinc/01/28/93/1279012893.db2.gz NCJAOQDQGSJRGQ-OKILXGFUSA-N 1 0 333.432 2.814 10 5 EFBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788802047 1276316451 /nfs/dbraw/zinc/31/64/51/1276316451.db2.gz NRYMLDNUQQKDCY-MLGOLLRUSA-N 1 0 342.399 2.705 10 5 EFBERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817959972 1276400933 /nfs/dbraw/zinc/40/09/33/1276400933.db2.gz JIAJDCJPTMIFLT-ZDUSSCGKSA-N 1 0 325.796 2.643 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000788981826 1276427648 /nfs/dbraw/zinc/42/76/48/1276427648.db2.gz MROCXCDJZRNSQM-QKCSRTOESA-N 1 0 332.322 2.819 10 5 EFBERO C/C(=C/C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000818178954 1276479247 /nfs/dbraw/zinc/47/92/47/1276479247.db2.gz VSMWYYPOLAQPSI-RYBIEJRYSA-N 1 0 343.427 2.942 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000819045911 1276578192 /nfs/dbraw/zinc/57/81/92/1276578192.db2.gz KLFWAOXITDFARH-MRXNPFEDSA-N 1 0 338.310 2.575 10 5 EFBERO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC000819092793 1276602348 /nfs/dbraw/zinc/60/23/48/1276602348.db2.gz DMBATHLQDHPMQI-KRWDZBQOSA-N 1 0 348.378 2.563 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000819374001 1276760415 /nfs/dbraw/zinc/76/04/15/1276760415.db2.gz FJKUUUDEPUNMCF-MAUKXSAKSA-N 1 0 345.374 2.636 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2cc([N+](=O)[O-])ccc12 ZINC000789547294 1276802556 /nfs/dbraw/zinc/80/25/56/1276802556.db2.gz UNPVAANIUVDGDW-QGZVFWFLSA-N 1 0 330.388 2.713 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718006 1276891358 /nfs/dbraw/zinc/89/13/58/1276891358.db2.gz BKQXLIISHHMEAO-GDKQZQJFSA-N 1 0 329.400 2.551 10 5 EFBERO COc1cc(Cc2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000844912424 1279360198 /nfs/dbraw/zinc/36/01/98/1279360198.db2.gz GBSIDZBVMDIAPL-CHWSQXEVSA-N 1 0 344.371 2.780 10 5 EFBERO Cn1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000815140590 1287342937 /nfs/dbraw/zinc/34/29/37/1287342937.db2.gz CEEBQAZLUXTOFJ-UHFFFAOYSA-N 1 0 333.779 2.795 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1F ZINC000793281319 1279529092 /nfs/dbraw/zinc/52/90/92/1279529092.db2.gz NUBAQYGBRZYJQM-NSHDSACASA-N 1 0 332.335 2.636 10 5 EFBERO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000871936020 1287369760 /nfs/dbraw/zinc/36/97/60/1287369760.db2.gz XUUCYOFJFZDOBE-OKSWLAIDSA-N 1 0 338.429 2.601 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(CO)CCC3)CC2)cc1 ZINC000846104852 1280035545 /nfs/dbraw/zinc/03/55/45/1280035545.db2.gz LKAQUAREMKNZAN-UHFFFAOYSA-N 1 0 333.432 2.706 10 5 EFBERO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182121 1280060263 /nfs/dbraw/zinc/06/02/63/1280060263.db2.gz VJIRIERIPXRUBA-DJJJIMSYSA-N 1 0 341.411 2.704 10 5 EFBERO CC(C)[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000872017719 1287400414 /nfs/dbraw/zinc/40/04/14/1287400414.db2.gz FBSBCAOCVXCGQQ-CJNGLKHVSA-N 1 0 339.411 2.741 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000872019263 1287401607 /nfs/dbraw/zinc/40/16/07/1287401607.db2.gz VNCGWKJJAAVQTG-LBPRGKRZSA-N 1 0 337.445 2.980 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024699 1287403810 /nfs/dbraw/zinc/40/38/10/1287403810.db2.gz DBVXCUUGPIHXPM-CHWSQXEVSA-N 1 0 345.378 2.844 10 5 EFBERO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039944 1287408400 /nfs/dbraw/zinc/40/84/00/1287408400.db2.gz WQVQMBRUIKVOBG-LBPRGKRZSA-N 1 0 330.359 2.914 10 5 EFBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001129670219 1280298682 /nfs/dbraw/zinc/29/86/82/1280298682.db2.gz WSHAKYXHTRBLRH-UHFFFAOYSA-N 1 0 342.330 2.631 10 5 EFBERO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062015 1287416988 /nfs/dbraw/zinc/41/69/88/1287416988.db2.gz JGHMDYGEMDSFTQ-FZMZJTMJSA-N 1 0 326.368 2.562 10 5 EFBERO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081664 1287422753 /nfs/dbraw/zinc/42/27/53/1287422753.db2.gz IYPYWHUSCIJGRB-BZNIZROVSA-N 1 0 326.368 2.562 10 5 EFBERO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082997 1287423483 /nfs/dbraw/zinc/42/34/83/1287423483.db2.gz FPLZGTOSBUJNQP-IGQOVBAYSA-N 1 0 339.411 2.882 10 5 EFBERO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089017 1287424923 /nfs/dbraw/zinc/42/49/23/1287424923.db2.gz SLVMPYDTAHWCIB-SJCJKPOMSA-N 1 0 340.395 2.952 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000872089065 1287425597 /nfs/dbraw/zinc/42/55/97/1287425597.db2.gz YUODWOPBZOBNAI-LEWSCRJBSA-N 1 0 326.418 2.507 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872106315 1287430487 /nfs/dbraw/zinc/43/04/87/1287430487.db2.gz IHKHQNBQNTVUDH-WFASDCNBSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872110526 1287432321 /nfs/dbraw/zinc/43/23/21/1287432321.db2.gz YZTKJEWKYJGBAN-OQUILHJVSA-N 1 0 347.415 2.859 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872149511 1287445380 /nfs/dbraw/zinc/44/53/80/1287445380.db2.gz NTZWEZODDKJHAO-ONGXEEELSA-N 1 0 337.729 2.817 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872151701 1287448105 /nfs/dbraw/zinc/44/81/05/1287448105.db2.gz LLKBYMSXFQOTHM-KOLCDFICSA-N 1 0 337.729 2.817 10 5 EFBERO Cc1c(Cc2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000872176430 1287463221 /nfs/dbraw/zinc/46/32/21/1287463221.db2.gz UKMPDQHMFQETNL-MEJMFZKBSA-N 1 0 328.372 2.890 10 5 EFBERO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000872231974 1287488329 /nfs/dbraw/zinc/48/83/29/1287488329.db2.gz VXBIGBHFQNWRBJ-GFCCVEGCSA-N 1 0 332.347 2.606 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCSCCC(F)(F)F)cc1 ZINC000872231558 1287488833 /nfs/dbraw/zinc/48/88/33/1287488833.db2.gz MUVVDIDJVZCQRY-GFCCVEGCSA-N 1 0 338.351 2.903 10 5 EFBERO C[NH+](C)CC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001148566186 1281637160 /nfs/dbraw/zinc/63/71/60/1281637160.db2.gz DXBWBZUGEUYALB-UHFFFAOYSA-N 1 0 331.416 2.949 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872291781 1287525721 /nfs/dbraw/zinc/52/57/21/1287525721.db2.gz RNVXQNIFWYLQRC-LBPRGKRZSA-N 1 0 337.445 2.676 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC000872314387 1287536164 /nfs/dbraw/zinc/53/61/64/1287536164.db2.gz BZQBUNLSZKAPLY-WBVHZDCISA-N 1 0 333.388 2.533 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315304 1287536373 /nfs/dbraw/zinc/53/63/73/1287536373.db2.gz XWTOXJIZRLMHPT-WBVHZDCISA-N 1 0 333.388 2.533 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000810006002 1282753848 /nfs/dbraw/zinc/75/38/48/1282753848.db2.gz FDYKUPHLHZACFP-FHWLQOOXSA-N 1 0 341.411 2.663 10 5 EFBERO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626552 1287643818 /nfs/dbraw/zinc/64/38/18/1287643818.db2.gz GZBUHTUQNASHDY-HZMBPMFUSA-N 1 0 331.347 2.970 10 5 EFBERO C[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176051087 1287686795 /nfs/dbraw/zinc/68/67/95/1287686795.db2.gz BNRLVGODLVKIGC-CYBMUJFWSA-N 1 0 347.415 2.597 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000811446907 1284322942 /nfs/dbraw/zinc/32/29/42/1284322942.db2.gz YIFLWMQQTWGFLD-INIZCTEOSA-N 1 0 342.342 2.990 10 5 EFBERO C[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCCCC1 ZINC000811769049 1284583706 /nfs/dbraw/zinc/58/37/06/1284583706.db2.gz PBUDIZMQMJTTJT-UHFFFAOYSA-N 1 0 348.403 2.602 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000812848227 1285472982 /nfs/dbraw/zinc/47/29/82/1285472982.db2.gz IKDJSVUUQMQHFJ-QGZVFWFLSA-N 1 0 335.379 2.696 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000747828699 1285556447 /nfs/dbraw/zinc/55/64/47/1285556447.db2.gz HPGFWKCZLQXIGS-CABCVRRESA-N 1 0 330.388 2.651 10 5 EFBERO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001179310025 1289101044 /nfs/dbraw/zinc/10/10/44/1289101044.db2.gz MLOJAVLLCHJTMI-UHFFFAOYSA-N 1 0 341.283 2.711 10 5 EFBERO C[NH+](C)C(C)(C)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001135262227 1287883066 /nfs/dbraw/zinc/88/30/66/1287883066.db2.gz NQQXHXGACYHQLZ-UHFFFAOYSA-N 1 0 342.399 2.727 10 5 EFBERO Cn1cc([C@@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880467 1288158876 /nfs/dbraw/zinc/15/88/76/1288158876.db2.gz VNPAVYSQURUHOI-LLVKDONJSA-N 1 0 335.795 2.756 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176887188 1288162653 /nfs/dbraw/zinc/16/26/53/1288162653.db2.gz PGFOPJIELKVBKW-QYZOEREBSA-N 1 0 347.459 2.823 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178870038 1288951009 /nfs/dbraw/zinc/95/10/09/1288951009.db2.gz XBFFOIJRDQDEFH-OAHLLOKOSA-N 1 0 337.395 2.513 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001136754869 1289394290 /nfs/dbraw/zinc/39/42/90/1289394290.db2.gz GTXLLWVBFFTFMF-CYBMUJFWSA-N 1 0 335.404 2.598 10 5 EFBERO Nc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823993720 1289509986 /nfs/dbraw/zinc/50/99/86/1289509986.db2.gz JZJOPRWCVQTTKS-AWEZNQCLSA-N 1 0 347.419 2.659 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000824086747 1289537135 /nfs/dbraw/zinc/53/71/35/1289537135.db2.gz OJFOXRDBRROJAH-CHWSQXEVSA-N 1 0 325.796 2.707 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000824494871 1289670042 /nfs/dbraw/zinc/67/00/42/1289670042.db2.gz VZFRMQWVLKPKJH-ZSHCYNCHSA-N 1 0 347.415 2.858 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccsn1 ZINC001273530042 1291034151 /nfs/dbraw/zinc/03/41/51/1291034151.db2.gz NVYTUHDEHOMJJA-UHFFFAOYSA-N 1 0 348.428 2.645 10 5 EFBERO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903539058 1312838530 /nfs/dbraw/zinc/83/85/30/1312838530.db2.gz JCJXMGMEYYHCOB-GHMZBOCLSA-N 1 0 337.729 2.960 10 5 EFBERO O=[N+]([O-])c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001187888519 1291264766 /nfs/dbraw/zinc/26/47/66/1291264766.db2.gz HGCOBCPGXRJLHZ-UHFFFAOYSA-N 1 0 343.343 2.979 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC001273605196 1292256114 /nfs/dbraw/zinc/25/61/14/1292256114.db2.gz QQZWIYRNNAYKLR-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880509253 1292523148 /nfs/dbraw/zinc/52/31/48/1292523148.db2.gz YSGXVJLBCVKHBW-WBVHZDCISA-N 1 0 333.388 2.533 10 5 EFBERO Cn1cc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000775547807 1293052666 /nfs/dbraw/zinc/05/26/66/1293052666.db2.gz DSVASAMQMRZEIN-HOTGVXAUSA-N 1 0 332.404 2.739 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882728193 1293300396 /nfs/dbraw/zinc/30/03/96/1293300396.db2.gz QBNIGXIIFUPMET-HNNXBMFYSA-N 1 0 347.415 2.535 10 5 EFBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882820402 1293338124 /nfs/dbraw/zinc/33/81/24/1293338124.db2.gz NZVJVIJUUCXBKQ-CYBMUJFWSA-N 1 0 340.383 2.908 10 5 EFBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC001196039397 1294118839 /nfs/dbraw/zinc/11/88/39/1294118839.db2.gz MQYORYXQBPAJKY-SFHVURJKSA-N 1 0 344.411 2.899 10 5 EFBERO CN(CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001196907296 1294410977 /nfs/dbraw/zinc/41/09/77/1294410977.db2.gz KMBFURFHARUDIC-IBGZPJMESA-N 1 0 343.427 2.918 10 5 EFBERO CC(C)(O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001197589770 1294625464 /nfs/dbraw/zinc/62/54/64/1294625464.db2.gz MVBVTLFMTPZTOT-ZDUSSCGKSA-N 1 0 346.387 2.628 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818392 1294874471 /nfs/dbraw/zinc/87/44/71/1294874471.db2.gz XFKORQBKQVNJPH-VXGBXAGGSA-N 1 0 339.367 2.690 10 5 EFBERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818389 1294875257 /nfs/dbraw/zinc/87/52/57/1294875257.db2.gz XFKORQBKQVNJPH-NEPJUHHUSA-N 1 0 339.367 2.690 10 5 EFBERO Cn1cncc1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001198769126 1295242141 /nfs/dbraw/zinc/24/21/41/1295242141.db2.gz KCWINMWIBOVBSE-UHFFFAOYSA-N 1 0 344.415 2.977 10 5 EFBERO O=C(Cc1cccs1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001273804698 1295919303 /nfs/dbraw/zinc/91/93/03/1295919303.db2.gz IYBXXYHPYPQGNY-ONEGZZNKSA-N 1 0 345.424 2.661 10 5 EFBERO O=C(/C=C/c1ccco1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273804822 1295919842 /nfs/dbraw/zinc/91/98/42/1295919842.db2.gz KVRINSKVQSHAMY-ACZSGTDVSA-N 1 0 341.367 2.663 10 5 EFBERO O=C(Cc1ccsc1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001273823289 1296125102 /nfs/dbraw/zinc/12/51/02/1296125102.db2.gz PKBPGANRVNHYAG-OWOJBTEDSA-N 1 0 345.424 2.661 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691702908 1296295718 /nfs/dbraw/zinc/29/57/18/1296295718.db2.gz KFXVHPNRSLGBGS-WVHJRZPWSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)o1 ZINC001273853651 1296333778 /nfs/dbraw/zinc/33/37/78/1296333778.db2.gz XJNWSAGOQQRWDA-ARJAWSKDSA-N 1 0 349.774 2.917 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1COC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803856164 1313258974 /nfs/dbraw/zinc/25/89/74/1313258974.db2.gz PBMUFLHCFIVKKJ-AWEZNQCLSA-N 1 0 336.388 2.911 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926101721 1296903622 /nfs/dbraw/zinc/90/36/22/1296903622.db2.gz QETJEAWRDIFCLO-QGZVFWFLSA-N 1 0 332.404 2.962 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926101719 1296903687 /nfs/dbraw/zinc/90/36/87/1296903687.db2.gz QETJEAWRDIFCLO-KRWDZBQOSA-N 1 0 332.404 2.962 10 5 EFBERO Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000927041427 1296980970 /nfs/dbraw/zinc/98/09/70/1296980970.db2.gz OHQQZWIIPIRMTI-FUDCBSFHSA-N 1 0 338.429 2.662 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927110910 1296991805 /nfs/dbraw/zinc/99/18/05/1296991805.db2.gz WDTKBRNVGICMER-RHSMWYFYSA-N 1 0 333.432 2.807 10 5 EFBERO Cc1sc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928843587 1297136101 /nfs/dbraw/zinc/13/61/01/1297136101.db2.gz RPILGQJACGXRFT-ZDUSSCGKSA-N 1 0 348.428 2.783 10 5 EFBERO Cc1sc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928843586 1297136191 /nfs/dbraw/zinc/13/61/91/1297136191.db2.gz RPILGQJACGXRFT-CYBMUJFWSA-N 1 0 348.428 2.783 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000929094790 1297157623 /nfs/dbraw/zinc/15/76/23/1297157623.db2.gz BRRXHTQPJBBXAM-UHFFFAOYSA-N 1 0 338.408 2.655 10 5 EFBERO C[NH+](C)C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929261576 1297170682 /nfs/dbraw/zinc/17/06/82/1297170682.db2.gz HTTURTMZUYJRSC-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000930140944 1297240523 /nfs/dbraw/zinc/24/05/23/1297240523.db2.gz LOQKVRISACBIIW-QGZVFWFLSA-N 1 0 334.416 2.615 10 5 EFBERO COc1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000776274493 1297340117 /nfs/dbraw/zinc/34/01/17/1297340117.db2.gz DJZNMRHPOVYUDQ-SFHVURJKSA-N 1 0 346.383 2.777 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000903942572 1313457784 /nfs/dbraw/zinc/45/77/84/1313457784.db2.gz QVEMBLZXPZNDCM-UHFFFAOYSA-N 1 0 338.820 2.722 10 5 EFBERO COc1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000903959748 1313492284 /nfs/dbraw/zinc/49/22/84/1313492284.db2.gz NKUNKSHMDPUAGK-SFHVURJKSA-N 1 0 349.431 2.578 10 5 EFBERO C[N@H+](CCCNC(=O)C1CC2(CC2)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490249788 1298675095 /nfs/dbraw/zinc/67/50/95/1298675095.db2.gz RPRIEUAYCFYFLO-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1[NH3+] ZINC000903985977 1313540512 /nfs/dbraw/zinc/54/05/12/1313540512.db2.gz DJCSCDLJLOTJHJ-AWEZNQCLSA-N 1 0 332.429 2.887 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC001490310968 1298756961 /nfs/dbraw/zinc/75/69/61/1298756961.db2.gz SSLLOLOYNLSNLI-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CC[N@H+](CCCNC(=O)c1oncc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490355475 1298833395 /nfs/dbraw/zinc/83/33/95/1298833395.db2.gz SRICCXSDAIJNAR-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000851896465 1299453545 /nfs/dbraw/zinc/45/35/45/1299453545.db2.gz KBGKKBTUXIGJEJ-BXUZGUMPSA-N 1 0 346.320 2.830 10 5 EFBERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000851896488 1299453702 /nfs/dbraw/zinc/45/37/02/1299453702.db2.gz KBGKKBTUXIGJEJ-RISCZKNCSA-N 1 0 346.320 2.830 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852084093 1299540514 /nfs/dbraw/zinc/54/05/14/1299540514.db2.gz PYAVKUNSPAZCHX-MAUKXSAKSA-N 1 0 327.384 2.903 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000776590208 1299685691 /nfs/dbraw/zinc/68/56/91/1299685691.db2.gz CQEUXPKEDZGKDV-GOSISDBHSA-N 1 0 334.416 2.767 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591842 1299688204 /nfs/dbraw/zinc/68/82/04/1299688204.db2.gz IGELSDSYXPVQKV-QBIMZIAESA-N 1 0 336.432 2.795 10 5 EFBERO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000776604610 1299775619 /nfs/dbraw/zinc/77/56/19/1299775619.db2.gz CZGFOEPDNAPMAG-JKSUJKDBSA-N 1 0 332.404 2.739 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC3(COC3)C2)ccc1Br ZINC000852683199 1299811065 /nfs/dbraw/zinc/81/10/65/1299811065.db2.gz HISOGIZPEYWHIE-UHFFFAOYSA-N 1 0 327.178 2.580 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852758684 1299872043 /nfs/dbraw/zinc/87/20/43/1299872043.db2.gz DENKMAAPCJFQLZ-OKZBNKHCSA-N 1 0 332.400 2.521 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000852806156 1299896547 /nfs/dbraw/zinc/89/65/47/1299896547.db2.gz DTGZZIIDXXEBJE-UHFFFAOYSA-N 1 0 337.807 2.881 10 5 EFBERO Cc1cc(F)cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000852898396 1299931417 /nfs/dbraw/zinc/93/14/17/1299931417.db2.gz KXRXLECTXBIKMB-CQSZACIVSA-N 1 0 349.406 2.894 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001490873687 1300052963 /nfs/dbraw/zinc/05/29/63/1300052963.db2.gz OUVPKQNPPMNGFV-MGPDXPAOSA-N 1 0 329.400 2.688 10 5 EFBERO CC[C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000780753657 1300075973 /nfs/dbraw/zinc/07/59/73/1300075973.db2.gz HGNYZDWDOJOYSO-YJBOKZPZSA-N 1 0 333.432 2.922 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000853906712 1300333462 /nfs/dbraw/zinc/33/34/62/1300333462.db2.gz ORLYGSKOOSQMGP-HZRUHFOJSA-N 1 0 333.388 2.677 10 5 EFBERO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853964835 1300367329 /nfs/dbraw/zinc/36/73/29/1300367329.db2.gz BRGXFFODRJASGZ-ZDUSSCGKSA-N 1 0 341.358 2.568 10 5 EFBERO CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000854184842 1300464329 /nfs/dbraw/zinc/46/43/29/1300464329.db2.gz JOHNAKUXSAGRFY-LLVKDONJSA-N 1 0 326.784 2.806 10 5 EFBERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000855286254 1300890530 /nfs/dbraw/zinc/89/05/30/1300890530.db2.gz NPENUJJIOGUECD-HFBDAHEESA-N 1 0 331.416 2.987 10 5 EFBERO CCN(C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000855489591 1300978529 /nfs/dbraw/zinc/97/85/29/1300978529.db2.gz ATWPNFHTJPOYMN-AINHQSCGSA-N 1 0 331.416 2.941 10 5 EFBERO CCN(C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000855489593 1300979300 /nfs/dbraw/zinc/97/93/00/1300979300.db2.gz ATWPNFHTJPOYMN-VSOYFRJCSA-N 1 0 331.416 2.941 10 5 EFBERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000859632709 1301513567 /nfs/dbraw/zinc/51/35/67/1301513567.db2.gz FVYLPQDOOHZJEP-YVEFUNNKSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859884715 1301619125 /nfs/dbraw/zinc/61/91/25/1301619125.db2.gz OTHSRVLEZDFGQI-RRMDADRESA-N 1 0 328.821 2.734 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000861036171 1301994682 /nfs/dbraw/zinc/99/46/82/1301994682.db2.gz WIQVWDZERNEKJG-AINHQSCGSA-N 1 0 348.399 2.652 10 5 EFBERO COc1cc(C(=O)OCC23CCC[NH+](CCC2)C3)ccc1[N+](=O)[O-] ZINC000861358807 1302103899 /nfs/dbraw/zinc/10/38/99/1302103899.db2.gz KYHQJTDAPYGABF-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862221036 1302311928 /nfs/dbraw/zinc/31/19/28/1302311928.db2.gz QBDSGBDOEMVICJ-CQSZACIVSA-N 1 0 327.384 2.962 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862792612 1302460175 /nfs/dbraw/zinc/46/01/75/1302460175.db2.gz AXDSQFBCQYPRRP-WSYSLRRZSA-N 1 0 331.416 2.846 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000865587209 1303321978 /nfs/dbraw/zinc/32/19/78/1303321978.db2.gz LZJZTOXHYJWSJK-BDAKNGLRSA-N 1 0 335.330 2.632 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1O ZINC000865805889 1303410197 /nfs/dbraw/zinc/41/01/97/1303410197.db2.gz CSPBHPYEQLTSOO-INIZCTEOSA-N 1 0 343.383 2.585 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)cc1[N+](=O)[O-] ZINC000865805718 1303410223 /nfs/dbraw/zinc/41/02/23/1303410223.db2.gz AUVZLGZWDZYFOG-QGZVFWFLSA-N 1 0 327.384 2.880 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C(F)F)c1 ZINC000865956826 1303468964 /nfs/dbraw/zinc/46/89/64/1303468964.db2.gz PMXXEIGNQHBWTF-ZDUSSCGKSA-N 1 0 341.358 2.568 10 5 EFBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000865999131 1303482854 /nfs/dbraw/zinc/48/28/54/1303482854.db2.gz YQLUNJUTTMLBHR-NSHDSACASA-N 1 0 329.347 2.790 10 5 EFBERO C[NH+]1CCC2(CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1 ZINC000866054492 1303505003 /nfs/dbraw/zinc/50/50/03/1303505003.db2.gz DDLQPQATZCIVRX-UHFFFAOYSA-N 1 0 334.376 2.815 10 5 EFBERO CCC1([NH+](C)C)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000866059865 1303507213 /nfs/dbraw/zinc/50/72/13/1303507213.db2.gz VXZNFDUJTUYERD-UHFFFAOYSA-N 1 0 346.431 2.790 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866209639 1303563738 /nfs/dbraw/zinc/56/37/38/1303563738.db2.gz SSBYXARNHALLSY-PWSUYJOCSA-N 1 0 340.221 2.888 10 5 EFBERO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000866209790 1303564141 /nfs/dbraw/zinc/56/41/41/1303564141.db2.gz WBCMGMYBPCIILH-ZFWWWQNUSA-N 1 0 326.400 2.982 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209564 1303564633 /nfs/dbraw/zinc/56/46/33/1303564633.db2.gz UBWAWXHKRVUOJH-LRDDRELGSA-N 1 0 342.399 2.682 10 5 EFBERO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000866412706 1303627421 /nfs/dbraw/zinc/62/74/21/1303627421.db2.gz LYVPVBFXPARJFB-YJBOKZPZSA-N 1 0 347.459 2.797 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(F)c1 ZINC000866474468 1303655773 /nfs/dbraw/zinc/65/57/73/1303655773.db2.gz PMBCMPPATXKTPX-LLVKDONJSA-N 1 0 332.335 2.636 10 5 EFBERO C[C@]([NH3+])(C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867982271 1304056813 /nfs/dbraw/zinc/05/68/13/1304056813.db2.gz NWYXVGMGCISCRW-KFWWJZLASA-N 1 0 343.786 2.590 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000867989996 1304062921 /nfs/dbraw/zinc/06/29/21/1304062921.db2.gz RMBYKQDESDCVIU-QGZVFWFLSA-N 1 0 341.367 2.799 10 5 EFBERO Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000868318347 1304239749 /nfs/dbraw/zinc/23/97/49/1304239749.db2.gz BFDLNLDQYYLZIR-MQVJKMGUSA-N 1 0 346.431 2.718 10 5 EFBERO Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000868350592 1304256258 /nfs/dbraw/zinc/25/62/58/1304256258.db2.gz LOBPEOPGDXCNAS-UHFFFAOYSA-N 1 0 334.420 2.577 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000868544438 1304348213 /nfs/dbraw/zinc/34/82/13/1304348213.db2.gz DUTBDYHDOGLPDI-INIZCTEOSA-N 1 0 346.431 2.719 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000869008462 1304576115 /nfs/dbraw/zinc/57/61/15/1304576115.db2.gz IJDLVIRJDITSJG-UHFFFAOYSA-N 1 0 348.447 2.999 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869302357 1304706244 /nfs/dbraw/zinc/70/62/44/1304706244.db2.gz WBTWSBJHKMRCIZ-UHFFFAOYSA-N 1 0 325.384 2.513 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000870257963 1305228937 /nfs/dbraw/zinc/22/89/37/1305228937.db2.gz KEZQFATYEJVETM-UHFFFAOYSA-N 1 0 349.406 2.753 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000870259844 1305229383 /nfs/dbraw/zinc/22/93/83/1305229383.db2.gz YATZWCAACOOBIS-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000870552580 1305393998 /nfs/dbraw/zinc/39/39/98/1305393998.db2.gz HMNWIJGGMPLDCC-SNVBAGLBSA-N 1 0 332.303 2.693 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000870568767 1305404111 /nfs/dbraw/zinc/40/41/11/1305404111.db2.gz JVXZJGYLMYTPJB-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO C[C@](N)(C(=O)N1CCC[C@@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870956751 1305708643 /nfs/dbraw/zinc/70/86/43/1305708643.db2.gz GYDUSDBMCACDFS-RDTXWAMCSA-N 1 0 331.416 2.807 10 5 EFBERO C[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871158284 1305851786 /nfs/dbraw/zinc/85/17/86/1305851786.db2.gz WHRNQYVGLNXFFO-UHFFFAOYSA-N 1 0 333.432 2.815 10 5 EFBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1F ZINC000871157949 1305851957 /nfs/dbraw/zinc/85/19/57/1305851957.db2.gz IEZWCWYNFJEDSM-UHFFFAOYSA-N 1 0 341.358 2.738 10 5 EFBERO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900662868 1308491274 /nfs/dbraw/zinc/49/12/74/1308491274.db2.gz AWKILRVBVZXTKW-NSHDSACASA-N 1 0 341.770 2.696 10 5 EFBERO C/C(=C\C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752123861 1311146272 /nfs/dbraw/zinc/14/62/72/1311146272.db2.gz QJCFKGOUTOLXKW-ISBHARSQSA-N 1 0 329.400 2.599 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802140932 1311388566 /nfs/dbraw/zinc/38/85/66/1311388566.db2.gz OCKFMTZSXONNPK-SHRNQRGKSA-N 1 0 348.399 2.651 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001160160870 1311657014 /nfs/dbraw/zinc/65/70/14/1311657014.db2.gz SDYQUZYAMGLPDD-WBVHZDCISA-N 1 0 333.432 2.716 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001160160868 1311657303 /nfs/dbraw/zinc/65/73/03/1311657303.db2.gz SDYQUZYAMGLPDD-RDJZCZTQSA-N 1 0 333.432 2.716 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001160244162 1311671873 /nfs/dbraw/zinc/67/18/73/1311671873.db2.gz LJCSDMGYXVFTSJ-UHFFFAOYSA-N 1 0 346.362 2.772 10 5 EFBERO Cc1coc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001277149582 1311711282 /nfs/dbraw/zinc/71/12/82/1311711282.db2.gz CJSMQXZANTZILH-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1C[NH+](C)C ZINC001161394245 1311877815 /nfs/dbraw/zinc/87/78/15/1311877815.db2.gz XXXKCQOOXXXNDH-UHFFFAOYSA-N 1 0 346.362 2.938 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCCCCC1 ZINC001162119809 1312051205 /nfs/dbraw/zinc/05/12/05/1312051205.db2.gz GRWPVWOMGFTOAW-UHFFFAOYSA-N 1 0 335.404 2.978 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC001162482837 1312111842 /nfs/dbraw/zinc/11/18/42/1312111842.db2.gz MQZQEOUACQRGAQ-CQSZACIVSA-N 1 0 347.415 2.976 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001163571063 1312339975 /nfs/dbraw/zinc/33/99/75/1312339975.db2.gz FFQFJMZMNIBTOG-HUUCEWRRSA-N 1 0 332.379 2.845 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@@H]([NH+](C)C)C3(C)C)c2c1 ZINC001163572254 1312340341 /nfs/dbraw/zinc/34/03/41/1312340341.db2.gz VSPHHLVGLVESEE-HZPDHXFCSA-N 1 0 344.415 2.714 10 5 EFBERO CC(C)[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC001163729268 1312373848 /nfs/dbraw/zinc/37/38/48/1312373848.db2.gz SMJYRXBOQULHEV-QGZVFWFLSA-N 1 0 343.431 2.675 10 5 EFBERO C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC001163926055 1312408697 /nfs/dbraw/zinc/40/86/97/1312408697.db2.gz YWLRZBWPZXREJW-BJIFSAINSA-N 1 0 331.416 2.797 10 5 EFBERO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903156655 1312415774 /nfs/dbraw/zinc/41/57/74/1312415774.db2.gz WZZNXACCOHRDPM-FUJMWEONSA-N 1 0 340.445 2.849 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903179548 1312435165 /nfs/dbraw/zinc/43/51/65/1312435165.db2.gz QEMNJJPWHCRWCH-GMOODISLSA-N 1 0 333.310 2.938 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)cc1C(F)(F)F ZINC001164131243 1312453630 /nfs/dbraw/zinc/45/36/30/1312453630.db2.gz MOHSLKWOLKAKAF-UHFFFAOYSA-N 1 0 345.321 2.571 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903211087 1312465753 /nfs/dbraw/zinc/46/57/53/1312465753.db2.gz RACGIYLCJLJJKP-NWDGAFQWSA-N 1 0 337.445 2.836 10 5 EFBERO CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001231412083 1312492236 /nfs/dbraw/zinc/49/22/36/1312492236.db2.gz OHYQCDOWORCCHT-CVEARBPZSA-N 1 0 334.420 2.829 10 5 EFBERO CC[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903350710 1312589873 /nfs/dbraw/zinc/58/98/73/1312589873.db2.gz XZNFWAVPVNWDAC-INIZCTEOSA-N 1 0 334.416 2.957 10 5 EFBERO CC(C)O[C@@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000903357943 1312595126 /nfs/dbraw/zinc/59/51/26/1312595126.db2.gz QIWLTYZNLFGNLF-SUMWQHHRSA-N 1 0 340.395 2.839 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccns1 ZINC001280820925 1316523240 /nfs/dbraw/zinc/52/32/40/1316523240.db2.gz BWIVNMVSWMKVBH-UHFFFAOYSA-N 1 0 348.428 2.645 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263868053 1316570950 /nfs/dbraw/zinc/57/09/50/1316570950.db2.gz ULGGILPIHXPCKE-DLBZAZTESA-N 1 0 343.427 2.691 10 5 EFBERO CC/C=C(/C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001264386081 1316610597 /nfs/dbraw/zinc/61/05/97/1316610597.db2.gz VVIBZUIKXCHEAY-PTVMMFFMSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC001265150782 1316739475 /nfs/dbraw/zinc/73/94/75/1316739475.db2.gz LFVVRNYBFQIXPQ-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO C/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001265190185 1316748776 /nfs/dbraw/zinc/74/87/76/1316748776.db2.gz HUOZCPRTEJWYJW-CPSFFCFKSA-N 1 0 331.416 2.984 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001265492673 1316813027 /nfs/dbraw/zinc/81/30/27/1316813027.db2.gz WTNQOCCTAUYYJW-WKILWMFISA-N 1 0 331.416 2.912 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265491999 1316813210 /nfs/dbraw/zinc/81/32/10/1316813210.db2.gz IMSCRRIYUQRSOC-WKILWMFISA-N 1 0 331.416 2.912 10 5 EFBERO CC[N@H+](CCCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266013893 1316952368 /nfs/dbraw/zinc/95/23/68/1316952368.db2.gz OQCHNGGKRZIIGN-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC[N@H+](CCCNC(=O)c1coc(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266035385 1316965581 /nfs/dbraw/zinc/96/55/81/1316965581.db2.gz HLHLEYUJCQCEOR-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001282593142 1319017528 /nfs/dbraw/zinc/01/75/28/1319017528.db2.gz IGRWHFXJLCPOSK-UHFFFAOYSA-N 1 0 325.434 2.975 10 5 EFBERO C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001288750356 1321752680 /nfs/dbraw/zinc/75/26/80/1321752680.db2.gz VOEGBVKRRBWEGA-GFCCVEGCSA-N 1 0 337.339 2.667 10 5 EFBERO C[C@H]1C[C@@H](O)CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311837 1321797270 /nfs/dbraw/zinc/79/72/70/1321797270.db2.gz OQGAICJRULSIKT-VHSXEESVSA-N 1 0 329.194 2.560 10 5 EFBERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001293349641 1322235444 /nfs/dbraw/zinc/23/54/44/1322235444.db2.gz DRPVLLLEWURBNP-CYBMUJFWSA-N 1 0 348.447 2.807 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001296128956 1322856929 /nfs/dbraw/zinc/85/69/29/1322856929.db2.gz XGNSFKMFDGZGAF-ZDUSSCGKSA-N 1 0 342.399 2.746 10 5 EFBERO CC(C)c1nc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH]1 ZINC001307219563 1323052891 /nfs/dbraw/zinc/05/28/91/1323052891.db2.gz PLZZHGGGQZDXMO-UHFFFAOYSA-N 1 0 329.360 2.938 10 5 EFBERO CC1(C)CC[N@H+](CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001307230628 1323144911 /nfs/dbraw/zinc/14/49/11/1323144911.db2.gz ZRESQPUAZHKSJW-UHFFFAOYSA-N 1 0 332.379 2.848 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001298331192 1323492364 /nfs/dbraw/zinc/49/23/64/1323492364.db2.gz FIJUJMQFPGLALQ-KBPBESRZSA-N 1 0 349.406 2.761 10 5 EFBERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001298637515 1323580190 /nfs/dbraw/zinc/58/01/90/1323580190.db2.gz QVPIYMAVVDHXNA-HNNXBMFYSA-N 1 0 348.447 2.633 10 5 EFBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001299817826 1323708278 /nfs/dbraw/zinc/70/82/78/1323708278.db2.gz BSVGDLZDYIMENB-BETUJISGSA-N 1 0 337.807 2.534 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1(C)C ZINC001299821890 1323708854 /nfs/dbraw/zinc/70/88/54/1323708854.db2.gz MPBCCBFNUWFJNB-QWHCGFSZSA-N 1 0 325.796 2.707 10 5 EFBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001303748648 1324619215 /nfs/dbraw/zinc/61/92/15/1324619215.db2.gz RONQJLVHJWZMQY-UHFFFAOYSA-N 1 0 346.431 2.704 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3c[nH+]cn3c2)c1 ZINC001304166230 1324643027 /nfs/dbraw/zinc/64/30/27/1324643027.db2.gz RPFOXYLJVWEQLI-UHFFFAOYSA-N 1 0 340.339 2.959 10 5 EFBERO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCOCC1 ZINC001306926409 1324733119 /nfs/dbraw/zinc/73/31/19/1324733119.db2.gz YMBLUSQWHMEPHG-MRXNPFEDSA-N 1 0 344.415 2.912 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+](C)C1CCCC1 ZINC001306962235 1324736019 /nfs/dbraw/zinc/73/60/19/1324736019.db2.gz NMZABALKAAPTFH-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001307709926 1324778748 /nfs/dbraw/zinc/77/87/48/1324778748.db2.gz IJLPZAYPIWADGV-YVEFUNNKSA-N 1 0 346.387 2.628 10 5 EFBERO CO[C@]1(C)C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001307780944 1324779431 /nfs/dbraw/zinc/77/94/31/1324779431.db2.gz YIIWIZVXOCOERB-CXAGYDPISA-N 1 0 346.387 2.938 10 5 EFBERO COCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001307894013 1324784528 /nfs/dbraw/zinc/78/45/28/1324784528.db2.gz RESZPYIBSNWHIV-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC001307989092 1324788417 /nfs/dbraw/zinc/78/84/17/1324788417.db2.gz PHTIHMVAGOJOCX-GFCCVEGCSA-N 1 0 343.387 2.574 10 5 EFBERO C[C@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001308118440 1324794673 /nfs/dbraw/zinc/79/46/73/1324794673.db2.gz GENHEMMYUJQZKQ-ZHEXZJMTSA-N 1 0 346.427 2.703 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@]12CCCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001308172283 1324797905 /nfs/dbraw/zinc/79/79/05/1324797905.db2.gz XVMZPKORXCEPGU-GOSISDBHSA-N 1 0 347.415 2.959 10 5 EFBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001308168617 1324798114 /nfs/dbraw/zinc/79/81/14/1324798114.db2.gz LKQGDBGQGNJNTP-FDQGKXFDSA-N 1 0 347.415 2.813 10 5 EFBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001313354291 1325013720 /nfs/dbraw/zinc/01/37/20/1325013720.db2.gz YNEIZORMYGGCEO-HUUCEWRRSA-N 1 0 348.447 2.824 10 5 EFBERO CC(C)(C)/C=C/C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320996217 1329328803 /nfs/dbraw/zinc/32/88/03/1329328803.db2.gz CAFZCRFALPVNEO-CMBSKSBMSA-N 1 0 331.416 2.959 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001321044817 1329336104 /nfs/dbraw/zinc/33/61/04/1329336104.db2.gz MMMSTMXJRHRUNG-AATRIKPKSA-N 1 0 331.416 2.793 10 5 EFBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC=CC1 ZINC001321232928 1329360692 /nfs/dbraw/zinc/36/06/92/1329360692.db2.gz NROZYRCBFPUXET-PLNGDYQASA-N 1 0 329.400 2.713 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317479498 1328062084 /nfs/dbraw/zinc/06/20/84/1328062084.db2.gz HBEXKMOGCJDLFR-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001317625803 1328207375 /nfs/dbraw/zinc/20/73/75/1328207375.db2.gz FZMXCWZMARHZMI-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(F)c1 ZINC001317661918 1328252244 /nfs/dbraw/zinc/25/22/44/1328252244.db2.gz ZUBMCSKOILFOHK-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO Cc1ccc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c(C)c1 ZINC001317686899 1328291578 /nfs/dbraw/zinc/29/15/78/1328291578.db2.gz SMTGKKJWYDAGGD-QZTJIDSGSA-N 1 0 347.459 2.685 10 5 EFBERO Cc1occc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001322403478 1329455932 /nfs/dbraw/zinc/45/59/32/1329455932.db2.gz RLAKQSGUUXZYQE-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO C/C(=C/C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571733 1330319387 /nfs/dbraw/zinc/31/93/87/1330319387.db2.gz AQUXSOQUPYHNNW-ADVGAGMGSA-N 1 0 343.427 2.941 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001326787702 1330364668 /nfs/dbraw/zinc/36/46/68/1330364668.db2.gz NEMSLTDYEXVBOC-JGZJWPJOSA-N 1 0 349.774 2.862 10 5 EFBERO O=C(Cc1ccco1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001326902798 1330381054 /nfs/dbraw/zinc/38/10/54/1330381054.db2.gz JQZOETRRUXTCMM-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001327178049 1330436493 /nfs/dbraw/zinc/43/64/93/1330436493.db2.gz RLBWNCMEANUBEV-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c[nH]1 ZINC001327238463 1330445308 /nfs/dbraw/zinc/44/53/08/1330445308.db2.gz GJSXZKMNWSSQAW-UHFFFAOYSA-N 1 0 348.378 2.656 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001329348374 1330697234 /nfs/dbraw/zinc/69/72/34/1330697234.db2.gz FARIKJIHEAGRQE-RKDXNWHRSA-N 1 0 335.330 2.632 10 5 EFBERO C[NH+](C)C1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001329977461 1330758325 /nfs/dbraw/zinc/75/83/25/1330758325.db2.gz UNTJKYHPSBBWAJ-UHFFFAOYSA-N 1 0 335.795 2.722 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001330007319 1330761226 /nfs/dbraw/zinc/76/12/26/1330761226.db2.gz CJFQZJUBNAPMQA-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001331520973 1330847355 /nfs/dbraw/zinc/84/73/55/1330847355.db2.gz NEMSLTDYEXVBOC-HOMQSWHASA-N 1 0 349.774 2.862 10 5 EFBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001339444325 1331868809 /nfs/dbraw/zinc/86/88/09/1331868809.db2.gz VGOAQCSRCVKDBZ-UHFFFAOYSA-N 1 0 348.447 2.617 10 5 EFBERO CC1(C)CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC001345576733 1332550451 /nfs/dbraw/zinc/55/04/51/1332550451.db2.gz PZIJVCVWMFMBCP-UHFFFAOYSA-N 1 0 348.447 2.699 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001347306194 1332733170 /nfs/dbraw/zinc/73/31/70/1332733170.db2.gz UJSGLAVXHQBDBG-CXAGYDPISA-N 1 0 349.456 2.678 10 5 EFBERO C[C@@H](CNC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347446344 1332745764 /nfs/dbraw/zinc/74/57/64/1332745764.db2.gz ULLNKTHXCUVYLP-UGUYLWEFSA-N 1 0 345.443 2.935 10 5 EFBERO C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347531134 1332753141 /nfs/dbraw/zinc/75/31/41/1332753141.db2.gz RCODYDOVASYDLR-BARDWOONSA-N 1 0 331.416 2.892 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001347587897 1332758174 /nfs/dbraw/zinc/75/81/74/1332758174.db2.gz FOSVNDFWKXMBCT-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO COc1cccc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC001347596010 1332758986 /nfs/dbraw/zinc/75/89/86/1332758986.db2.gz BIVIZHATWUFJIG-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001347661739 1332764353 /nfs/dbraw/zinc/76/43/53/1332764353.db2.gz QWOWZTIIKSJAOW-ZDUSSCGKSA-N 1 0 346.431 2.855 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001348127768 1332801892 /nfs/dbraw/zinc/80/18/92/1332801892.db2.gz RNQADTQCZODIPH-SHUKQUCYSA-N 1 0 349.456 2.532 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001348349450 1332827369 /nfs/dbraw/zinc/82/73/69/1332827369.db2.gz QHTRKAINPKEEHY-CYBMUJFWSA-N 1 0 347.415 2.692 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001348856609 1332877190 /nfs/dbraw/zinc/87/71/90/1332877190.db2.gz SDFASLQQFSYJDG-CYBMUJFWSA-N 1 0 339.461 2.924 10 5 EFBERO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349384362 1332945758 /nfs/dbraw/zinc/94/57/58/1332945758.db2.gz RSYQGUSEFUIBNV-GFCCVEGCSA-N 1 0 335.379 2.823 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@@H]2C1 ZINC001350245707 1333053114 /nfs/dbraw/zinc/05/31/14/1333053114.db2.gz KPKVQIVOZCZDOC-SJKOYZFVSA-N 1 0 340.383 2.916 10 5 EFBERO C[NH+](C)C1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC001351302724 1333208918 /nfs/dbraw/zinc/20/89/18/1333208918.db2.gz CRNPFDYQIKSSCS-UHFFFAOYSA-N 1 0 337.395 2.657 10 5 EFBERO C[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001352969168 1333837023 /nfs/dbraw/zinc/83/70/23/1333837023.db2.gz KIAXRIUUDYVAPO-SMKXDYDZSA-N 1 0 331.416 2.892 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001300185962 1333898192 /nfs/dbraw/zinc/89/81/92/1333898192.db2.gz ZFVDMASPZZEGON-BBWFWOEESA-N 1 0 345.443 2.574 10 5 EFBERO Nc1cc(CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC001472888997 1334603719 /nfs/dbraw/zinc/60/37/19/1334603719.db2.gz PWALTRJDIJXLQW-UHFFFAOYSA-N 1 0 338.371 2.950 10 5 EFBERO CC1(C)CC[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476341 1334735537 /nfs/dbraw/zinc/73/55/37/1334735537.db2.gz ABQWNUYHJCLHJJ-MRXNPFEDSA-N 1 0 331.416 2.990 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000848476338 1334735585 /nfs/dbraw/zinc/73/55/85/1334735585.db2.gz ABGRVJOSFRDANZ-SJORKVTESA-N 1 0 329.400 2.743 10 5 EFBERO C[C@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476975 1334735909 /nfs/dbraw/zinc/73/59/09/1334735909.db2.gz JKZKGGUQJZKGLU-YOEHRIQHSA-N 1 0 331.416 2.990 10 5 EFBERO C[N@H+](CC1CCCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848476523 1334736377 /nfs/dbraw/zinc/73/63/77/1334736377.db2.gz ANQYWTNVWJJNSB-KRWDZBQOSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@H]([N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1(C)CC1 ZINC000848481401 1334737600 /nfs/dbraw/zinc/73/76/00/1334737600.db2.gz CENYPWFEBDJLSY-BBRMVZONSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000848483024 1334739018 /nfs/dbraw/zinc/73/90/18/1334739018.db2.gz XNUREJIBKSVXLD-DOTOQJQBSA-N 1 0 329.400 2.600 10 5 EFBERO CSC[C@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482657 1334740015 /nfs/dbraw/zinc/74/00/15/1334740015.db2.gz SRMMWVJXTIWZLD-CVEARBPZSA-N 1 0 349.456 2.696 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000848487006 1334742920 /nfs/dbraw/zinc/74/29/20/1334742920.db2.gz PDHXXZUZUSVSOM-SJLPKXTDSA-N 1 0 343.427 2.990 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000848489464 1334746103 /nfs/dbraw/zinc/74/61/03/1334746103.db2.gz VAGWJOSUFUWLIU-GOSISDBHSA-N 1 0 342.399 2.918 10 5 EFBERO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CC(C)(C)C1 ZINC000848488553 1334746582 /nfs/dbraw/zinc/74/65/82/1334746582.db2.gz LFMIEBJNAYLCAQ-MRXNPFEDSA-N 1 0 331.416 2.989 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523337 1334772078 /nfs/dbraw/zinc/77/20/78/1334772078.db2.gz AINXDLDKGPHDDT-NVXWUHKLSA-N 1 0 328.368 2.914 10 5 EFBERO O=C1O[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570533 1334799431 /nfs/dbraw/zinc/79/94/31/1334799431.db2.gz MAHNWYFUHTWVBU-GOEBONIOSA-N 1 0 331.372 2.545 10 5 EFBERO O=C1O[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571659 1334800857 /nfs/dbraw/zinc/80/08/57/1334800857.db2.gz GGDZROASMQVFTP-WBVHZDCISA-N 1 0 345.399 2.935 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848578813 1334806411 /nfs/dbraw/zinc/80/64/11/1334806411.db2.gz SSQYWFGOWSQGOL-AWEZNQCLSA-N 1 0 333.388 2.791 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000848753892 1334875897 /nfs/dbraw/zinc/87/58/97/1334875897.db2.gz MHWVQQDOTXSXBB-AOOOYVTPSA-N 1 0 341.795 2.787 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001355868669 1334892126 /nfs/dbraw/zinc/89/21/26/1334892126.db2.gz RLDHQBLHXOLDLG-WFASDCNBSA-N 1 0 335.379 2.599 10 5 EFBERO COc1ccc(CNC(=[NH2+])NCCc2cccs2)cc1[N+](=O)[O-] ZINC000849064799 1335065827 /nfs/dbraw/zinc/06/58/27/1335065827.db2.gz AEZLCXMFLRPMNK-UHFFFAOYSA-N 1 0 334.401 2.522 10 5 EFBERO CC[NH+](CC)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001437468499 1387672240 /nfs/dbraw/zinc/67/22/40/1387672240.db2.gz NUSLSBVHAMMJDY-HUUCEWRRSA-N 1 0 339.823 2.680 10 5 EFBERO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CCF)CC1 ZINC001506892718 1406410342 /nfs/dbraw/zinc/41/03/42/1406410342.db2.gz ARRSQFAKMSIJPT-CTYIDZIISA-N 1 0 349.406 2.719 10 5 EFBERO CC[NH+](CC)CCSCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001457202035 1395028403 /nfs/dbraw/zinc/02/84/03/1395028403.db2.gz UGGMELPVYLNLNB-UHFFFAOYSA-N 1 0 325.434 2.917 10 5 EFBERO COc1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001458053839 1395400639 /nfs/dbraw/zinc/40/06/39/1395400639.db2.gz MJULLDAVGBNPAE-OAHLLOKOSA-N 1 0 345.403 2.586 10 5 EFBERO CC(C)C1CCC([NH+]2CCN(c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC001458236345 1395428245 /nfs/dbraw/zinc/42/82/45/1395428245.db2.gz XMOUPXWXOJNRJK-UHFFFAOYSA-N 1 0 335.452 2.665 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458373871 1395454903 /nfs/dbraw/zinc/45/49/03/1395454903.db2.gz ZVTMHRVGMPBTKR-ZDUSSCGKSA-N 1 0 344.415 2.733 10 5 EFBERO CC(C)[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001458547779 1395494791 /nfs/dbraw/zinc/49/47/91/1395494791.db2.gz PHKVOPZKJQVPHF-CQSZACIVSA-N 1 0 349.822 2.968 10 5 EFBERO Cc1ccc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001458698907 1395554531 /nfs/dbraw/zinc/55/45/31/1395554531.db2.gz AQKQXLWRXLMCAG-UHFFFAOYSA-N 1 0 333.432 2.720 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001458719785 1395562249 /nfs/dbraw/zinc/56/22/49/1395562249.db2.gz CJDUGKOCTCTRDI-CQSZACIVSA-N 1 0 345.374 2.763 10 5 EFBERO CC(C)OC(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001460311683 1396024405 /nfs/dbraw/zinc/02/44/05/1396024405.db2.gz SFHZZLOJGKITQD-CQSZACIVSA-N 1 0 338.404 2.930 10 5 EFBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC001460575682 1396222624 /nfs/dbraw/zinc/22/26/24/1396222624.db2.gz PJJYREIOWSHLHA-WKPIXPDZSA-N 1 0 332.360 2.775 10 5 EFBERO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001460752464 1396251835 /nfs/dbraw/zinc/25/18/35/1396251835.db2.gz DDZUQZUIUMEAKH-LLVKDONJSA-N 1 0 346.362 2.996 10 5 EFBERO C[C@H]1Cc2n[nH]cc2C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460776242 1396254042 /nfs/dbraw/zinc/25/40/42/1396254042.db2.gz DFZMZHGGOSXDGD-ZDUSSCGKSA-N 1 0 330.388 2.781 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2([C@H]3CCCO3)CCC2)c1 ZINC001460943439 1396271651 /nfs/dbraw/zinc/27/16/51/1396271651.db2.gz FOQNKIFNTNCFHK-OAHLLOKOSA-N 1 0 334.372 2.573 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001465535917 1396688420 /nfs/dbraw/zinc/68/84/20/1396688420.db2.gz BGUFPKRHANJHCK-CQSZACIVSA-N 1 0 346.431 2.631 10 5 EFBERO CC[C@H](C)[NH+]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001468089244 1396925898 /nfs/dbraw/zinc/92/58/98/1396925898.db2.gz NZELYECXMCRGBS-HNNXBMFYSA-N 1 0 345.443 2.959 10 5 EFBERO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001468936200 1396991543 /nfs/dbraw/zinc/99/15/43/1396991543.db2.gz OQODXWPCIVDGPF-UHFFFAOYSA-N 1 0 343.786 2.992 10 5 EFBERO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473439284 1397301807 /nfs/dbraw/zinc/30/18/07/1397301807.db2.gz BQEYCKVAONSFJZ-OLZOCXBDSA-N 1 0 346.387 2.770 10 5 EFBERO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473439285 1397301890 /nfs/dbraw/zinc/30/18/90/1397301890.db2.gz BQEYCKVAONSFJZ-QWHCGFSZSA-N 1 0 346.387 2.770 10 5 EFBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC001473510121 1397307432 /nfs/dbraw/zinc/30/74/32/1397307432.db2.gz CHFMDARLKYBXNG-UHFFFAOYSA-N 1 0 343.427 2.933 10 5 EFBERO C[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473786729 1397331850 /nfs/dbraw/zinc/33/18/50/1397331850.db2.gz JKVPCWPIGSFNHE-CYBMUJFWSA-N 1 0 347.415 2.597 10 5 EFBERO Cn1cc(C[N@@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897582 1397347115 /nfs/dbraw/zinc/34/71/15/1397347115.db2.gz LGOVWAFPNOFDDS-CYBMUJFWSA-N 1 0 346.435 2.659 10 5 EFBERO CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001479993683 1398079386 /nfs/dbraw/zinc/07/93/86/1398079386.db2.gz QFYOVQQAAJTKFD-HZPDHXFCSA-N 1 0 325.453 2.545 10 5 EFBERO CC1(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC001493401779 1398677200 /nfs/dbraw/zinc/67/72/00/1398677200.db2.gz UYWMBAZJVGKHLQ-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO Cc1coc(C)c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493532991 1398743852 /nfs/dbraw/zinc/74/38/52/1398743852.db2.gz FIFUMCHQAOBGDY-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1C1CC1 ZINC001493668651 1398796594 /nfs/dbraw/zinc/79/65/94/1398796594.db2.gz HHRPAUALOOIRSG-UHFFFAOYSA-N 1 0 343.383 2.927 10 5 EFBERO Cc1cc(F)cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001493705968 1398822586 /nfs/dbraw/zinc/82/25/86/1398822586.db2.gz VVAOESNZFDMUQD-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1cocc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496760611 1400965917 /nfs/dbraw/zinc/96/59/17/1400965917.db2.gz NZZQBTALZKOCEU-UHFFFAOYSA-N 1 0 331.372 2.700 10 5 EFBERO C/C(=C\C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534399 1401441271 /nfs/dbraw/zinc/44/12/71/1401441271.db2.gz ATKVFXXVRCOQMC-QCKQRSCRSA-N 1 0 329.400 2.713 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001497554143 1401453954 /nfs/dbraw/zinc/45/39/54/1401453954.db2.gz CQOFIUGJCUVFIP-AATRIKPKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001497674581 1401540788 /nfs/dbraw/zinc/54/07/88/1401540788.db2.gz VTKSOYCMZRVTFI-OWOJBTEDSA-N 1 0 348.790 2.652 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(CF)CCC1 ZINC001498614697 1402202769 /nfs/dbraw/zinc/20/27/69/1402202769.db2.gz MLNLMVLAYDLZRR-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO Cc1cccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001499152298 1402498745 /nfs/dbraw/zinc/49/87/45/1402498745.db2.gz BAVVGOKQGGVXCE-UHFFFAOYSA-N 1 0 339.395 2.955 10 5 EFBERO Cc1ccoc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001501914060 1403873177 /nfs/dbraw/zinc/87/31/77/1403873177.db2.gz IMYQODIWAIODLK-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO Cc1cc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001556684843 1415081777 /nfs/dbraw/zinc/08/17/77/1415081777.db2.gz GFLMJGDIQNCDNW-UHFFFAOYSA-N 1 0 346.431 2.576 10 5 EFBERO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001556764932 1415087047 /nfs/dbraw/zinc/08/70/47/1415087047.db2.gz CSDFHWPAMTYUHH-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556876814 1415093340 /nfs/dbraw/zinc/09/33/40/1415093340.db2.gz YKEKOQHTWJTRTC-NSHDSACASA-N 1 0 327.812 2.636 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)n1 ZINC001556974357 1415098823 /nfs/dbraw/zinc/09/88/23/1415098823.db2.gz VECUVMMTJXBCNR-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001557695159 1415138858 /nfs/dbraw/zinc/13/88/58/1415138858.db2.gz QIXRRNNTGGGFLG-CABCVRRESA-N 1 0 335.379 2.645 10 5 EFBERO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001558502891 1415183737 /nfs/dbraw/zinc/18/37/37/1415183737.db2.gz FBJLUFWYAIMIAH-ZDUSSCGKSA-N 1 0 325.796 2.627 10 5 EFBERO CC(C)c1ccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001558679746 1415194715 /nfs/dbraw/zinc/19/47/15/1415194715.db2.gz YHPWTCIPRUOHJN-HNNXBMFYSA-N 1 0 331.416 2.790 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001558769099 1415200161 /nfs/dbraw/zinc/20/01/61/1415200161.db2.gz OZSQGPAIACHERK-WMLDXEAASA-N 1 0 346.431 2.512 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CC)cc1C ZINC001559049454 1415221351 /nfs/dbraw/zinc/22/13/51/1415221351.db2.gz DEWLDUYBFIOPGQ-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO CCC[NH+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001559050247 1415221525 /nfs/dbraw/zinc/22/15/25/1415221525.db2.gz STSRQYSBELGHMU-UHFFFAOYSA-N 1 0 345.359 2.583 10 5 EFBERO O=[N+]([O-])c1cnccc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001559226914 1415231481 /nfs/dbraw/zinc/23/14/81/1415231481.db2.gz WTVPXCVFJCPNNB-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1C ZINC001559304241 1415238902 /nfs/dbraw/zinc/23/89/02/1415238902.db2.gz QGDNSXRTWSZBIH-BPLDGKMQSA-N 1 0 347.415 2.832 10 5 EFBERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559556773 1415250742 /nfs/dbraw/zinc/25/07/42/1415250742.db2.gz JBNNJIVUMIELMO-HUUCEWRRSA-N 1 0 346.387 2.770 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686428 1415253173 /nfs/dbraw/zinc/25/31/73/1415253173.db2.gz CBCQUEFBOUZYQV-NSHDSACASA-N 1 0 333.348 2.667 10 5 EFBERO CO[C@@](C)([C@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001559909250 1415258029 /nfs/dbraw/zinc/25/80/29/1415258029.db2.gz LGVGMLOCQAQDLF-GTNSWQLSSA-N 1 0 346.387 2.938 10 5 EFBERO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001559961851 1415260234 /nfs/dbraw/zinc/26/02/34/1415260234.db2.gz SBRWNTRFJZFOPG-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CCO ZINC001559982586 1415260358 /nfs/dbraw/zinc/26/03/58/1415260358.db2.gz SEPLNTYSMAMQJC-JSGCOSHPSA-N 1 0 346.387 2.628 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560088943 1415262989 /nfs/dbraw/zinc/26/29/89/1415262989.db2.gz XOZBFFCMRWMGSY-UHFFFAOYSA-N 1 0 325.365 2.922 10 5 EFBERO C[C@](CO)(Cc1ccccc1F)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001560183728 1415267674 /nfs/dbraw/zinc/26/76/74/1415267674.db2.gz WIGHUNFULJPBQN-GOSISDBHSA-N 1 0 348.374 2.696 10 5 EFBERO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376601 1415375962 /nfs/dbraw/zinc/37/59/62/1415375962.db2.gz OHYQCDOWORCCHT-HZPDHXFCSA-N 1 0 334.420 2.829 10 5 EFBERO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565561364 1415403787 /nfs/dbraw/zinc/40/37/87/1415403787.db2.gz IAMHGYXJLDXWCC-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC001565867174 1415438944 /nfs/dbraw/zinc/43/89/44/1415438944.db2.gz JZQBFMVJDJGXCI-YEORSEQZSA-N 1 0 349.456 2.831 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001566267129 1415537294 /nfs/dbraw/zinc/53/72/94/1415537294.db2.gz OYZYDIHIGRWXSE-HOCLYGCPSA-N 1 0 331.416 2.600 10 5 EFBERO C[C@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001566383997 1415544258 /nfs/dbraw/zinc/54/42/58/1415544258.db2.gz FMBAEGMHLFUPHJ-JQWIXIFHSA-N 1 0 337.807 2.532 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001566430235 1415546831 /nfs/dbraw/zinc/54/68/31/1415546831.db2.gz JNTXEJPIYDCQME-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccsn1)Cc1ccccc1[N+](=O)[O-] ZINC001566554489 1415637771 /nfs/dbraw/zinc/63/77/71/1415637771.db2.gz CJBFOOGFXRQUJS-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC001566803324 1415780254 /nfs/dbraw/zinc/78/02/54/1415780254.db2.gz VXPZKMSRIKYHKO-MGCOHNPYSA-N 1 0 347.387 2.684 10 5 EFBERO CC[N@H+](CCNC(=O)c1cccc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001567326650 1416074502 /nfs/dbraw/zinc/07/45/02/1416074502.db2.gz QIUACGSUSLXSOQ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(F)(F)CC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001567448465 1416143240 /nfs/dbraw/zinc/14/32/40/1416143240.db2.gz CCJRGQCOXZNXDD-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001646289368 1416643494 /nfs/dbraw/zinc/64/34/94/1416643494.db2.gz VRZCVYKARSTESZ-GFCCVEGCSA-N 1 0 337.807 2.628 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001686395097 1416799124 /nfs/dbraw/zinc/79/91/24/1416799124.db2.gz KIYSZGKJFYHUOZ-HNNXBMFYSA-N 1 0 334.420 2.577 10 5 EFBERO CC[N@H+](CCCNC(=O)C(C)(C)F)Cc1cccc([N+](=O)[O-])c1 ZINC001689914120 1417093948 /nfs/dbraw/zinc/09/39/48/1417093948.db2.gz BFPKWDGNBOVJBM-UHFFFAOYSA-N 1 0 325.384 2.671 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC001689914570 1417094091 /nfs/dbraw/zinc/09/40/91/1417094091.db2.gz UFIYXJIIRRKJCH-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC2(CC2)C1 ZINC001699662255 1417442891 /nfs/dbraw/zinc/44/28/91/1417442891.db2.gz LNZMZCUUSUQHMO-UHFFFAOYSA-N 1 0 329.400 2.523 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)=C1CCCC1 ZINC001713584243 1418561797 /nfs/dbraw/zinc/56/17/97/1418561797.db2.gz ZGZMTHROBCCXNO-UHFFFAOYSA-N 1 0 335.379 2.940 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CC2(CCC2)C1 ZINC001714747044 1418622132 /nfs/dbraw/zinc/62/21/32/1418622132.db2.gz SLGDDPRFIYCIOD-UHFFFAOYSA-N 1 0 337.445 2.785 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(C)(C)C1 ZINC001714749615 1418623776 /nfs/dbraw/zinc/62/37/76/1418623776.db2.gz RWJSPITUBKUSGB-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cn1 ZINC001714784065 1418636681 /nfs/dbraw/zinc/63/66/81/1418636681.db2.gz CJMSZGVTZJAUTN-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001716366936 1418805653 /nfs/dbraw/zinc/80/56/53/1418805653.db2.gz IJCFIZOZGLNWIF-PLNGDYQASA-N 1 0 339.395 2.979 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC001716524742 1418905312 /nfs/dbraw/zinc/90/53/12/1418905312.db2.gz DEEGJBAATCGBSG-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CCc1occc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001716680134 1418956840 /nfs/dbraw/zinc/95/68/40/1418956840.db2.gz NCGXYHUHMRENIC-UHFFFAOYSA-N 1 0 343.383 2.802 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1=CCCC1 ZINC001717149199 1419238112 /nfs/dbraw/zinc/23/81/12/1419238112.db2.gz HDWQGUDMPXHNAN-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CCC1 ZINC001717155620 1419241386 /nfs/dbraw/zinc/24/13/86/1419241386.db2.gz CTUFXYDRJJURQJ-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC1(CC(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CC1 ZINC001717155223 1419241589 /nfs/dbraw/zinc/24/15/89/1419241589.db2.gz FJYJPZWSTFWVGS-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC1 ZINC001717448611 1419399016 /nfs/dbraw/zinc/39/90/16/1419399016.db2.gz ADRCYUDKISJNQB-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1)C(F)F ZINC001717520385 1419425026 /nfs/dbraw/zinc/42/50/26/1419425026.db2.gz JZBORUWRURVVEJ-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(F)F ZINC001723114810 1424427642 /nfs/dbraw/zinc/42/76/42/1424427642.db2.gz UXLDFLJFSTYUIR-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724285376 1424722561 /nfs/dbraw/zinc/72/25/61/1424722561.db2.gz JLXPCXNSAIBOEF-ILNYKDOHSA-N 1 0 337.464 2.616 10 5 EFBERO CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724884872 1425099098 /nfs/dbraw/zinc/09/90/98/1425099098.db2.gz NZIWRFNQMOEUJO-IAGOWNOFSA-N 1 0 349.475 2.903 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnco1 ZINC001725730455 1425800785 /nfs/dbraw/zinc/80/07/85/1425800785.db2.gz GGPQXEPJJGCYKQ-UHFFFAOYSA-N 1 0 346.387 2.565 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000160744728 714454864 /nfs/dbraw/zinc/45/48/64/714454864.db2.gz ZLBXYOPLPQJPRA-HNNXBMFYSA-N 1 0 345.374 2.637 10 5 EFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075797 715042200 /nfs/dbraw/zinc/04/22/00/715042200.db2.gz ADROXIBNIQFMDJ-MRXNPFEDSA-N 1 0 340.387 2.572 10 5 EFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083688 715050207 /nfs/dbraw/zinc/05/02/07/715050207.db2.gz ORPUPYGKFQSZOR-MRXNPFEDSA-N 1 0 340.387 2.572 10 5 EFBERO CC[C@@H](NC(=O)N1CCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000893451619 715546759 /nfs/dbraw/zinc/54/67/59/715546759.db2.gz SBWIAGHVZQRSOY-MRXNPFEDSA-N 1 0 346.431 2.926 10 5 EFBERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000313030344 715557570 /nfs/dbraw/zinc/55/75/70/715557570.db2.gz RGLXXNQZLJCQSG-GFCCVEGCSA-N 1 0 329.194 2.872 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313126773 715791621 /nfs/dbraw/zinc/79/16/21/715791621.db2.gz CXJUMBHULNVLBQ-PHIMTYICSA-N 1 0 340.221 2.793 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCCO)CC2)c(Cl)c1 ZINC000931497169 715869296 /nfs/dbraw/zinc/86/92/96/715869296.db2.gz OVJHCMWJSLQYID-UHFFFAOYSA-N 1 0 341.839 2.528 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895273922 723967849 /nfs/dbraw/zinc/96/78/49/723967849.db2.gz LRODZRDTARSRQP-AWEZNQCLSA-N 1 0 340.383 2.649 10 5 EFBERO CCOC(=O)[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 ZINC000936069744 717195271 /nfs/dbraw/zinc/19/52/71/717195271.db2.gz KUUJTAUBFSBFAA-MHORFTMASA-N 1 0 346.447 2.646 10 5 in-man EFBERO C[C@@H]([NH2+]CCn1cccn1)c1ccc([N+](=O)[O-])cc1Br ZINC000888098253 718843112 /nfs/dbraw/zinc/84/31/12/718843112.db2.gz DRQCSMJVMPTGHK-SNVBAGLBSA-N 1 0 339.193 2.905 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892775912 719156519 /nfs/dbraw/zinc/15/65/19/719156519.db2.gz DUCJCXLNASWLKA-FWFZHJKVSA-N 1 0 329.400 2.599 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000893025309 719480782 /nfs/dbraw/zinc/48/07/82/719480782.db2.gz HJFKJVGPTPTDRI-NEPJUHHUSA-N 1 0 325.434 2.991 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000893026952 719489331 /nfs/dbraw/zinc/48/93/31/719489331.db2.gz SZGCIDOJZUICMX-GDBMZVCRSA-N 1 0 333.432 2.859 10 5 EFBERO CCN(CC[NH3+])c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000122836318 719819896 /nfs/dbraw/zinc/81/98/96/719819896.db2.gz PKCCDFMCKOTYGQ-UHFFFAOYSA-N 1 0 339.193 2.691 10 5 EFBERO C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925855569 719852497 /nfs/dbraw/zinc/85/24/97/719852497.db2.gz PEFAXEVCTQPGFJ-ZANVPECISA-N 1 0 332.326 2.512 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000727112254 723819690 /nfs/dbraw/zinc/81/96/90/723819690.db2.gz FFBNTDAJSPPTQK-JWJUJFCLSA-N 1 0 335.404 2.923 10 5 EFBERO CC(C)(C)OC1CC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000341627194 724200476 /nfs/dbraw/zinc/20/04/76/724200476.db2.gz PROXSIKGXGITGA-LRVUVFPRSA-N 1 0 334.420 2.822 10 5 EFBERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895785642 724313064 /nfs/dbraw/zinc/31/30/64/724313064.db2.gz ZMTKRKSHANTIGQ-UTJXIGIESA-N 1 0 330.432 2.840 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)CO1 ZINC000895819375 724331436 /nfs/dbraw/zinc/33/14/36/724331436.db2.gz XDDPSZVHJAXNGS-CJBNDPTMSA-N 1 0 347.371 2.552 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895838404 724336366 /nfs/dbraw/zinc/33/63/66/724336366.db2.gz YJQYCPIVDIAVAA-CQSZACIVSA-N 1 0 332.322 2.958 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848570 724349327 /nfs/dbraw/zinc/34/93/27/724349327.db2.gz ZZGSQECGHDXDOL-WFASDCNBSA-N 1 0 336.388 2.613 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848566 724349679 /nfs/dbraw/zinc/34/96/79/724349679.db2.gz ZZGSQECGHDXDOL-SWLSCSKDSA-N 1 0 336.388 2.613 10 5 EFBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000895854888 724353672 /nfs/dbraw/zinc/35/36/72/724353672.db2.gz NJEBVELUAAZGRP-OCCSQVGLSA-N 1 0 328.796 2.779 10 5 EFBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000895854884 724353870 /nfs/dbraw/zinc/35/38/70/724353870.db2.gz NJEBVELUAAZGRP-GXTWGEPZSA-N 1 0 328.796 2.779 10 5 EFBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn2c(n1)CCCC2 ZINC000925382666 725696901 /nfs/dbraw/zinc/69/69/01/725696901.db2.gz MWPOJABMGZTUMG-ZDUSSCGKSA-N 1 0 330.388 2.857 10 5 EFBERO CC(C)[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000913761256 725851502 /nfs/dbraw/zinc/85/15/02/725851502.db2.gz FDEGZSFTHTZTAI-CYBMUJFWSA-N 1 0 343.786 2.800 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000906797365 726799960 /nfs/dbraw/zinc/79/99/60/726799960.db2.gz HWDZEVCGZYXJPU-DGCLKSJQSA-N 1 0 339.823 2.780 10 5 EFBERO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188989 727002101 /nfs/dbraw/zinc/00/21/01/727002101.db2.gz PDRIMZGPTPWPLI-CYBMUJFWSA-N 1 0 348.428 2.998 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908057130 727080793 /nfs/dbraw/zinc/08/07/93/727080793.db2.gz ZSPLXXKTJOBHNI-RDJZCZTQSA-N 1 0 331.416 2.613 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908057129 727080890 /nfs/dbraw/zinc/08/08/90/727080890.db2.gz ZSPLXXKTJOBHNI-NVXWUHKLSA-N 1 0 331.416 2.613 10 5 EFBERO C[N@H+](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000908075015 727093849 /nfs/dbraw/zinc/09/38/49/727093849.db2.gz FSLSMGYPXGEHKI-UHFFFAOYSA-N 1 0 342.193 2.780 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908127009 727105584 /nfs/dbraw/zinc/10/55/84/727105584.db2.gz VYIQPGJOXOLBGP-NVXWUHKLSA-N 1 0 331.416 2.613 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910285335 727427457 /nfs/dbraw/zinc/42/74/57/727427457.db2.gz XNHGYPVEVSVLGJ-ZQHYZAEZSA-N 1 0 331.416 2.941 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911201297 727509769 /nfs/dbraw/zinc/50/97/69/727509769.db2.gz PFRZFMURGUTQSZ-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916053730 727652543 /nfs/dbraw/zinc/65/25/43/727652543.db2.gz DRIVTMWYAQOKDW-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000912398706 727705749 /nfs/dbraw/zinc/70/57/49/727705749.db2.gz NCNNZSZXUIOTMP-LLVKDONJSA-N 1 0 343.786 2.944 10 5 EFBERO CC(C)[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000912765410 727741663 /nfs/dbraw/zinc/74/16/63/727741663.db2.gz CJANUAIABACTLJ-OAHLLOKOSA-N 1 0 339.823 2.637 10 5 EFBERO C[C@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913280760 727810695 /nfs/dbraw/zinc/81/06/95/727810695.db2.gz GOHJBZJTDVMZIX-UYHISHBKSA-N 1 0 349.406 2.638 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913272622 727811872 /nfs/dbraw/zinc/81/18/72/727811872.db2.gz BVBLSHBOKYPMRA-QZTJIDSGSA-N 1 0 331.416 2.625 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913282875 727815260 /nfs/dbraw/zinc/81/52/60/727815260.db2.gz CZXXLLKGNFUZGO-KDURUIRLSA-N 1 0 345.443 2.934 10 5 EFBERO CSc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913293018 727818017 /nfs/dbraw/zinc/81/80/17/727818017.db2.gz HWMUUSACZGXEOJ-CALCHBBNSA-N 1 0 349.456 2.731 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000913390288 727827817 /nfs/dbraw/zinc/82/78/17/727827817.db2.gz PSPMNMWKMIEDIQ-UHFFFAOYSA-N 1 0 333.432 2.815 10 5 EFBERO C[NH+](C)CCCCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384716 727830330 /nfs/dbraw/zinc/83/03/30/727830330.db2.gz CLGIFSOOLWEUHL-UHFFFAOYSA-N 1 0 331.775 2.735 10 5 EFBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000163938591 727897389 /nfs/dbraw/zinc/89/73/89/727897389.db2.gz CVZRRUNYMVPYFB-UWVGGRQHSA-N 1 0 328.210 2.778 10 5 EFBERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157886375 728246672 /nfs/dbraw/zinc/24/66/72/728246672.db2.gz VPQZCCQMPOBHEH-GFCCVEGCSA-N 1 0 342.237 2.931 10 5 EFBERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102576 728316741 /nfs/dbraw/zinc/31/67/41/728316741.db2.gz FIAMMOQHVPAUCW-SKDRFNHKSA-N 1 0 326.784 2.982 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000228551004 728413153 /nfs/dbraw/zinc/41/31/53/728413153.db2.gz QKGFDWGZTRJASB-IRUJWGPZSA-N 1 0 340.221 2.921 10 5 EFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228552605 728413197 /nfs/dbraw/zinc/41/31/97/728413197.db2.gz WRIBBTSKQROXOF-MVWJERBFSA-N 1 0 340.221 2.921 10 5 EFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000228551011 728413302 /nfs/dbraw/zinc/41/33/02/728413302.db2.gz QKGFDWGZTRJASB-UFGOTCBOSA-N 1 0 340.221 2.921 10 5 EFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230135013 728563513 /nfs/dbraw/zinc/56/35/13/728563513.db2.gz WRIBBTSKQROXOF-ZMLRMANQSA-N 1 0 340.221 2.921 10 5 EFBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000172179133 728572764 /nfs/dbraw/zinc/57/27/64/728572764.db2.gz YBBQBCOLENTVNK-TZMCWYRMSA-N 1 0 341.839 2.525 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000232470377 728663442 /nfs/dbraw/zinc/66/34/42/728663442.db2.gz KJASCMBZJUWFHG-GFCCVEGCSA-N 1 0 340.221 2.637 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913299 729765459 /nfs/dbraw/zinc/76/54/59/729765459.db2.gz LYJYPULTBLCVDZ-BIPYJSMBSA-N 1 0 333.388 2.676 10 5 EFBERO CCCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001569726935 1085565342 /nfs/dbraw/zinc/56/53/42/1085565342.db2.gz PPJQKAKZMROHNA-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1 ZINC001570188796 1086037456 /nfs/dbraw/zinc/03/74/56/1086037456.db2.gz AOOOKUUGLTWQDY-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO CCC1([NH2+]Cc2cccc(C)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570255311 1086091877 /nfs/dbraw/zinc/09/18/77/1086091877.db2.gz YNZDQMRZNZPTTB-IAGOWNOFSA-N 1 0 345.443 2.521 10 5 EFBERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001647591427 1089587241 /nfs/dbraw/zinc/58/72/41/1089587241.db2.gz ZSPMTPSSSGPUHT-OCCSQVGLSA-N 1 0 346.387 2.628 10 5 EFBERO CCc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001647832739 1089891424 /nfs/dbraw/zinc/89/14/24/1089891424.db2.gz ZTSPGONTMMUULK-CVEARBPZSA-N 1 0 331.416 2.760 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cncn2C)CC1 ZINC001620678672 1091130190 /nfs/dbraw/zinc/13/01/90/1091130190.db2.gz FSLHKIYVGFWZCS-UHFFFAOYSA-N 1 0 330.388 2.717 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001648523378 1092228184 /nfs/dbraw/zinc/22/81/84/1092228184.db2.gz NSEQHQVYZRAJRY-LZQZEXGQSA-N 1 0 348.443 2.811 10 5 EFBERO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001480917027 1092699745 /nfs/dbraw/zinc/69/97/45/1092699745.db2.gz CZPUKDCQFJHIAN-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001586631910 1092748638 /nfs/dbraw/zinc/74/86/38/1092748638.db2.gz WTGCCCYIGRHGNW-WCQYABFASA-N 1 0 339.823 2.732 10 5 EFBERO Cc1nc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001267229284 1093284114 /nfs/dbraw/zinc/28/41/14/1093284114.db2.gz LKKGYEKSWKKWQF-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CCN(CCNC(=O)Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001267234568 1093306091 /nfs/dbraw/zinc/30/60/91/1093306091.db2.gz IIDZWQWYHDBRNX-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC001267241507 1093338787 /nfs/dbraw/zinc/33/87/87/1093338787.db2.gz ZQVGRLIOWHSMTG-IAGOWNOFSA-N 1 0 347.459 2.587 10 5 EFBERO CCC[N@@H+]1CC[C@@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001650677153 1093481704 /nfs/dbraw/zinc/48/17/04/1093481704.db2.gz TWQQTRDXYQTFJH-LBPRGKRZSA-N 1 0 332.379 2.848 10 5 EFBERO CC(C)C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001651186895 1093536955 /nfs/dbraw/zinc/53/69/55/1093536955.db2.gz HKWAXEMZKBDPSP-ZBFHGGJFSA-N 1 0 348.447 2.584 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267314208 1093558248 /nfs/dbraw/zinc/55/82/48/1093558248.db2.gz KLLQATUJXXMEEA-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001267360893 1094306362 /nfs/dbraw/zinc/30/63/62/1094306362.db2.gz QDUAABURCMDUAP-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO Cc1coc(C)c1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001267367596 1094327467 /nfs/dbraw/zinc/32/74/67/1094327467.db2.gz BAKJRLMLAVXFBA-UHFFFAOYSA-N 1 0 337.401 2.728 10 5 EFBERO Cc1sccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001267370543 1094337837 /nfs/dbraw/zinc/33/78/37/1094337837.db2.gz PSPKUMCXLZOZFY-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO Cc1ccc(F)cc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267410773 1094485585 /nfs/dbraw/zinc/48/55/85/1094485585.db2.gz QPXKYXDKTUKRSF-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC(C)c1ocnc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001267452766 1094542182 /nfs/dbraw/zinc/54/21/82/1094542182.db2.gz RWQLDANAYWMSML-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ocnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001481132830 1094907396 /nfs/dbraw/zinc/90/73/96/1094907396.db2.gz BDYGBHMIDYOGDY-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001267497209 1094993116 /nfs/dbraw/zinc/99/31/16/1094993116.db2.gz QGENZHNIRZKCDQ-UHFFFAOYSA-N 1 0 343.374 2.967 10 5 EFBERO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC001126293264 1095229410 /nfs/dbraw/zinc/22/94/10/1095229410.db2.gz FOESXJSDNPQCAC-INIZCTEOSA-N 1 0 348.447 2.694 10 5 EFBERO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+](C)C)cc1 ZINC001625918918 1096181601 /nfs/dbraw/zinc/18/16/01/1096181601.db2.gz HYUAUJPLRPJMQE-KRWDZBQOSA-N 1 0 342.399 2.518 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001268510766 1097089003 /nfs/dbraw/zinc/08/90/03/1097089003.db2.gz OQRSNOTVUIJDSE-UPHRSURJSA-N 1 0 331.397 2.732 10 5 EFBERO Cc1ccc(CC(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001268529406 1097132088 /nfs/dbraw/zinc/13/20/88/1097132088.db2.gz RRMNAZFYRBDFAP-IHWYPQMZSA-N 1 0 343.383 2.501 10 5 EFBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268578820 1097270666 /nfs/dbraw/zinc/27/06/66/1097270666.db2.gz ZEODGWOHOGJEMF-PLNGDYQASA-N 1 0 331.416 2.937 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001268590808 1097312577 /nfs/dbraw/zinc/31/25/77/1097312577.db2.gz OHKYZCHBLMXCJG-UPHRSURJSA-N 1 0 329.400 2.547 10 5 EFBERO Cc1cc(C)c(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC001269437812 1098134800 /nfs/dbraw/zinc/13/48/00/1098134800.db2.gz VQRVYRAUZXZQSI-UHFFFAOYSA-N 1 0 342.399 2.592 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCC(F)(F)F ZINC001481283232 1098839322 /nfs/dbraw/zinc/83/93/22/1098839322.db2.gz DZYGBRFVPONFAH-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001481283499 1098840719 /nfs/dbraw/zinc/84/07/19/1098840719.db2.gz DVSYTUGZQIOPTH-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001611391393 1099007302 /nfs/dbraw/zinc/00/73/02/1099007302.db2.gz OBZQVWCCELHXKA-GJZGRUSLSA-N 1 0 335.379 2.789 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001611714722 1099031234 /nfs/dbraw/zinc/03/12/34/1099031234.db2.gz GUJITDZIKJRUHQ-SNVBAGLBSA-N 1 0 341.795 2.931 10 5 EFBERO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000843739341 1099052765 /nfs/dbraw/zinc/05/27/65/1099052765.db2.gz UBVQICXGPGYAGP-DZGCQCFKSA-N 1 0 341.367 2.944 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc3c[nH+]cn3c2)s1 ZINC001612461811 1099059632 /nfs/dbraw/zinc/05/96/32/1099059632.db2.gz JJKDOWUXWGFWLO-UHFFFAOYSA-N 1 0 326.341 2.859 10 5 EFBERO CCO[C@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001612879970 1099082548 /nfs/dbraw/zinc/08/25/48/1099082548.db2.gz ZIIRJDPDJRAZBE-LLVKDONJSA-N 1 0 335.326 2.992 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC([NH2+]C2CCOCC2)C1 ZINC001612903485 1099083255 /nfs/dbraw/zinc/08/32/55/1099083255.db2.gz OQEPUXIXPFAPFQ-UHFFFAOYSA-N 1 0 345.321 2.571 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001613022962 1099088054 /nfs/dbraw/zinc/08/80/54/1099088054.db2.gz NLIFSHZROHWTNF-QWRGUYRKSA-N 1 0 333.285 2.846 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001613027381 1099088788 /nfs/dbraw/zinc/08/87/88/1099088788.db2.gz WDYKYHJNTROTPJ-LEJCZOIISA-N 1 0 333.388 2.677 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC(F)(F)C1 ZINC001481303768 1099167304 /nfs/dbraw/zinc/16/73/04/1099167304.db2.gz VJLOOOWZIXBPQL-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO COc1ccsc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481306399 1099196477 /nfs/dbraw/zinc/19/64/77/1099196477.db2.gz PDBLKYWQOQSUEK-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1c(F)cccc1F ZINC001481307384 1099201520 /nfs/dbraw/zinc/20/15/20/1099201520.db2.gz JLZGEFWYHOKAJC-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC001617799198 1099260461 /nfs/dbraw/zinc/26/04/61/1099260461.db2.gz JAMWYFAAGMPYPS-AWEZNQCLSA-N 1 0 343.811 2.572 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001620680746 1099370221 /nfs/dbraw/zinc/37/02/21/1099370221.db2.gz OPHBGQDMHXSPAE-FDQGKXFDSA-N 1 0 347.415 2.813 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001620683456 1099371628 /nfs/dbraw/zinc/37/16/28/1099371628.db2.gz ISBNYGNUUIULKC-KDURUIRLSA-N 1 0 345.443 2.911 10 5 EFBERO CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC001627324059 1099983593 /nfs/dbraw/zinc/98/35/93/1099983593.db2.gz GNPWJJANOQKKEH-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001627585953 1100012369 /nfs/dbraw/zinc/01/23/69/1100012369.db2.gz MQTGFXFCRNFDKS-NSHDSACASA-N 1 0 341.358 2.610 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001627988476 1100048385 /nfs/dbraw/zinc/04/83/85/1100048385.db2.gz ZIENAVMRRDHKJA-GFCCVEGCSA-N 1 0 344.415 2.790 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001628220238 1100077646 /nfs/dbraw/zinc/07/76/46/1100077646.db2.gz RWLHCOUBPRKKCY-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccco1 ZINC001631446767 1100399058 /nfs/dbraw/zinc/39/90/58/1100399058.db2.gz CHHLKNJQXVNZEC-OAHLLOKOSA-N 1 0 346.387 2.583 10 5 EFBERO C[NH+]1CCC(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001632155907 1100456307 /nfs/dbraw/zinc/45/63/07/1100456307.db2.gz FMOVCUFZDGHVSU-UHFFFAOYSA-N 1 0 325.796 2.710 10 5 EFBERO CC(C)C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC001632724521 1100496208 /nfs/dbraw/zinc/49/62/08/1100496208.db2.gz AIPOVJSOJCIFMU-NSHDSACASA-N 1 0 342.827 2.537 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC001633653777 1100556744 /nfs/dbraw/zinc/55/67/44/1100556744.db2.gz SKFSUZLCKBMHQL-UHFFFAOYSA-N 1 0 334.420 2.563 10 5 EFBERO CC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001633921441 1100574409 /nfs/dbraw/zinc/57/44/09/1100574409.db2.gz FLDAEFNZORWGLY-QSPRXWTASA-N 1 0 346.431 2.685 10 5 EFBERO Cc1ccc(NCCCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001634047509 1100581701 /nfs/dbraw/zinc/58/17/01/1100581701.db2.gz UPJPNLOIGBNPQO-HNNXBMFYSA-N 1 0 348.447 2.694 10 5 EFBERO Cc1ccc(NCCCNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001634047513 1100581860 /nfs/dbraw/zinc/58/18/60/1100581860.db2.gz UPJPNLOIGBNPQO-OAHLLOKOSA-N 1 0 348.447 2.694 10 5 EFBERO Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1 ZINC001634603976 1100618230 /nfs/dbraw/zinc/61/82/30/1100618230.db2.gz IABNSGMAALZRNR-CQSZACIVSA-N 1 0 343.387 2.620 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684843 1100623810 /nfs/dbraw/zinc/62/38/10/1100623810.db2.gz CMDKQYBLUULLEN-CXAGYDPISA-N 1 0 342.399 2.563 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001634861220 1100632378 /nfs/dbraw/zinc/63/23/78/1100632378.db2.gz NIXDVEUUGDKGMC-CVEARBPZSA-N 1 0 333.432 2.716 10 5 EFBERO Cc1ccc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001635954907 1100689659 /nfs/dbraw/zinc/68/96/59/1100689659.db2.gz STGGJYMKPSUFFF-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001637053232 1100754748 /nfs/dbraw/zinc/75/47/48/1100754748.db2.gz VHPWJTBJRAWKJX-JTQLQIEISA-N 1 0 342.827 2.681 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001637288159 1100770578 /nfs/dbraw/zinc/77/05/78/1100770578.db2.gz GVRNOAFPCCRFKI-HUUCEWRRSA-N 1 0 331.416 2.913 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001637288157 1100770651 /nfs/dbraw/zinc/77/06/51/1100770651.db2.gz GVRNOAFPCCRFKI-CABCVRRESA-N 1 0 331.416 2.913 10 5 EFBERO CC[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001639268234 1100931976 /nfs/dbraw/zinc/93/19/76/1100931976.db2.gz DMLYYWXEFIGRRO-CYBMUJFWSA-N 1 0 332.379 2.990 10 5 EFBERO CN(CC[NH+]1CCCC1)c1cccc(Br)c1[N+](=O)[O-] ZINC001642218028 1101199700 /nfs/dbraw/zinc/19/97/00/1101199700.db2.gz HMYWZRQUSGJQJQ-UHFFFAOYSA-N 1 0 328.210 2.889 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC001642340117 1101207142 /nfs/dbraw/zinc/20/71/42/1101207142.db2.gz UARGWJYYOXKCJQ-STQMWFEESA-N 1 0 344.415 2.858 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001643024535 1101265492 /nfs/dbraw/zinc/26/54/92/1101265492.db2.gz FUXSLIYLFMEDLJ-AWEZNQCLSA-N 1 0 326.400 2.994 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCC[N@@H+]3CCSC[C@@H]13)CCCC2 ZINC001643172161 1101277014 /nfs/dbraw/zinc/27/70/14/1101277014.db2.gz GYBULZKEFNYMPV-HOCLYGCPSA-N 1 0 348.472 2.860 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001643213644 1101280323 /nfs/dbraw/zinc/28/03/23/1101280323.db2.gz HOONOEOGTPOZBM-MRXNPFEDSA-N 1 0 325.368 2.948 10 5 EFBERO COCC[N@H+](C)CCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651368063 1101317904 /nfs/dbraw/zinc/31/79/04/1101317904.db2.gz XMVGUPMGYXQJIR-UHFFFAOYSA-N 1 0 335.326 2.994 10 5 EFBERO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001651418553 1101326021 /nfs/dbraw/zinc/32/60/21/1101326021.db2.gz MCWJXBUPPWYHEI-CYBMUJFWSA-N 1 0 329.404 2.696 10 5 EFBERO C[N@H+](CCNC(=O)C1(C(F)F)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266313054 1101520845 /nfs/dbraw/zinc/52/08/45/1101520845.db2.gz FHUIVMDDYSZAKZ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001266619904 1101534562 /nfs/dbraw/zinc/53/45/62/1101534562.db2.gz FDLDLLYCSWLCDJ-HAQNSBGRSA-N 1 0 341.358 2.623 10 5 EFBERO CCCCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001653027798 1101578019 /nfs/dbraw/zinc/57/80/19/1101578019.db2.gz VIFFGXARDRMMJR-HUUCEWRRSA-N 1 0 326.441 2.737 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1ccsc1 ZINC001266634228 1101592057 /nfs/dbraw/zinc/59/20/57/1101592057.db2.gz KMGNNXVUHOIAHX-UHFFFAOYSA-N 1 0 339.442 2.509 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068242686 1101607195 /nfs/dbraw/zinc/60/71/95/1101607195.db2.gz KXUXKNYRSZTNAZ-HNNXBMFYSA-N 1 0 346.431 2.642 10 5 EFBERO CCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)O ZINC001653326397 1101611551 /nfs/dbraw/zinc/61/15/51/1101611551.db2.gz VOTLSWZYGFGGAK-UHFFFAOYSA-N 1 0 334.376 2.628 10 5 EFBERO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001653604165 1101634401 /nfs/dbraw/zinc/63/44/01/1101634401.db2.gz YYKAJXOMKDKYOX-UONOGXRCSA-N 1 0 331.416 2.994 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC001654030264 1101671977 /nfs/dbraw/zinc/67/19/77/1101671977.db2.gz IVHZGQOZBHDODU-LLVKDONJSA-N 1 0 325.796 2.723 10 5 EFBERO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([N+](=O)[O-])n1 ZINC001654499300 1101725384 /nfs/dbraw/zinc/72/53/84/1101725384.db2.gz PAHQUGAJIMYXPB-CYBMUJFWSA-N 1 0 345.359 2.616 10 5 EFBERO CC[N@H+](CCOc1ccccc1C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001654793114 1101756648 /nfs/dbraw/zinc/75/66/48/1101756648.db2.gz BPXOGMNCAVARHA-UHFFFAOYSA-N 1 0 332.404 2.809 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001654907232 1101769885 /nfs/dbraw/zinc/76/98/85/1101769885.db2.gz JUUHGCQGQNPXFQ-INIZCTEOSA-N 1 0 349.431 2.544 10 5 EFBERO CC(C)C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC001654942272 1101772269 /nfs/dbraw/zinc/77/22/69/1101772269.db2.gz HJFYHVZOOFYNRZ-ZDUSSCGKSA-N 1 0 346.431 2.835 10 5 EFBERO Cc1ccccc1C[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001654988357 1101776091 /nfs/dbraw/zinc/77/60/91/1101776091.db2.gz NOZHGMZTHOCLAB-UHFFFAOYSA-N 1 0 329.404 2.713 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC001655024915 1101780176 /nfs/dbraw/zinc/78/01/76/1101780176.db2.gz QLPYQFNHHMNXPR-STQMWFEESA-N 1 0 335.404 2.914 10 5 EFBERO O=C(C[N@@H+]1CCC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001655119294 1101786513 /nfs/dbraw/zinc/78/65/13/1101786513.db2.gz YDRTWDILZHPJLD-INIZCTEOSA-N 1 0 343.427 2.996 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C(F)F)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001266390974 1101826656 /nfs/dbraw/zinc/82/66/56/1101826656.db2.gz UUKQWOMGOBQCFV-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO Cc1c(NC(=O)CC[NH2+]C2([C@H]3CCCO3)CCC2)cccc1[N+](=O)[O-] ZINC001655886222 1101906432 /nfs/dbraw/zinc/90/64/32/1101906432.db2.gz IIPGAICZASUQDO-MRXNPFEDSA-N 1 0 347.415 2.923 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3c4cccc(Cl)c4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001655955456 1101918498 /nfs/dbraw/zinc/91/84/98/1101918498.db2.gz KAUUXHKHDVVSHT-SUHUHFCYSA-N 1 0 346.818 2.970 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3cc(C)sc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001655964979 1101918636 /nfs/dbraw/zinc/91/86/36/1101918636.db2.gz FCHRJOKVGWMCOA-CQSZACIVSA-N 1 0 347.440 2.994 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656132198 1101968442 /nfs/dbraw/zinc/96/84/42/1101968442.db2.gz HEVJZRGBVQSQIJ-VOQZQIFKSA-N 1 0 331.416 2.936 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccnc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001266425168 1101996799 /nfs/dbraw/zinc/99/67/99/1101996799.db2.gz FGPSLUFVUXWYSZ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c1 ZINC001656469797 1102102612 /nfs/dbraw/zinc/10/26/12/1102102612.db2.gz PISKBSKRCGHUNQ-HNNXBMFYSA-N 1 0 330.388 2.594 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001266766212 1102161829 /nfs/dbraw/zinc/16/18/29/1102161829.db2.gz FHHOLFUKGJZXRX-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC[C@@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001657424955 1102381506 /nfs/dbraw/zinc/38/15/06/1102381506.db2.gz WDNOUSFMPNGKHG-SFHVURJKSA-N 1 0 343.431 2.560 10 5 EFBERO CC(C)(C)OC(=O)NCCC[N@H+](CC[N+](=O)[O-])CC1CCCC1 ZINC001658594278 1102470615 /nfs/dbraw/zinc/47/06/15/1102470615.db2.gz WDOCNLRXGKDJEW-UHFFFAOYSA-N 1 0 329.441 2.670 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000588445410 1102545727 /nfs/dbraw/zinc/54/57/27/1102545727.db2.gz XGGWFWCDYHJBHW-OWBHPGMISA-N 1 0 331.416 2.798 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000588445456 1102545769 /nfs/dbraw/zinc/54/57/69/1102545769.db2.gz LCEKMXKCFQSGHG-YPKPFQOOSA-N 1 0 331.416 2.989 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC001659612853 1102554388 /nfs/dbraw/zinc/55/43/88/1102554388.db2.gz RCBGFVWFGYVBLD-VXGBXAGGSA-N 1 0 331.376 2.809 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001659951347 1102580715 /nfs/dbraw/zinc/58/07/15/1102580715.db2.gz WRJKJKCHAUASBO-IRXDYDNUSA-N 1 0 339.395 2.937 10 5 EFBERO CC(C)(c1nc(CC2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000905315219 1103043184 /nfs/dbraw/zinc/04/31/84/1103043184.db2.gz HMXYAOKPQPDDBE-UHFFFAOYSA-N 1 0 348.378 2.985 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1sccc1F ZINC001493534882 1103263386 /nfs/dbraw/zinc/26/33/86/1103263386.db2.gz JVOZCOMSRKHYRE-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO O=C(/C=C\c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001661561620 1103322785 /nfs/dbraw/zinc/32/27/85/1103322785.db2.gz YSMZBMGNIUGQRO-ZMWOBVFASA-N 1 0 341.367 2.638 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001649008040 1103914759 /nfs/dbraw/zinc/91/47/59/1103914759.db2.gz INYAVHQKQTVIGZ-JTQLQIEISA-N 1 0 342.827 2.681 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH]1 ZINC001670864020 1104117168 /nfs/dbraw/zinc/11/71/68/1104117168.db2.gz KKWASYUQLSGCEA-UHFFFAOYSA-N 1 0 342.399 2.592 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000729679594 1104771357 /nfs/dbraw/zinc/77/13/57/1104771357.db2.gz LKUIOERWUJHGIB-QGZVFWFLSA-N 1 0 330.384 2.571 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1csnc1C ZINC001482918873 1105169885 /nfs/dbraw/zinc/16/98/85/1105169885.db2.gz UCCTXONJNZQXCH-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccn1CC ZINC001668644340 1105338580 /nfs/dbraw/zinc/33/85/80/1105338580.db2.gz CESFWEIEZXFSIM-UHFFFAOYSA-N 1 0 344.415 2.668 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001668685574 1105349200 /nfs/dbraw/zinc/34/92/00/1105349200.db2.gz PMBAIMXTTUUSBQ-ARJAWSKDSA-N 1 0 331.397 2.732 10 5 EFBERO CC(C)(C)/C=C\C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482991453 1105493658 /nfs/dbraw/zinc/49/36/58/1105493658.db2.gz RHWKJTSNOSPKQJ-NKIGAPEHSA-N 1 0 331.416 2.959 10 5 EFBERO Cc1coc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC001673202229 1105984433 /nfs/dbraw/zinc/98/44/33/1105984433.db2.gz VDBQXGIHUJORRU-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000843797317 1106313735 /nfs/dbraw/zinc/31/37/35/1106313735.db2.gz BBANTBAFRYBUKB-UHFFFAOYSA-N 1 0 349.406 2.990 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3cccnc3)CC2)cc1 ZINC000929154330 1106323974 /nfs/dbraw/zinc/32/39/74/1106323974.db2.gz LDEMYYWTWFJNLU-UHFFFAOYSA-N 1 0 326.400 2.745 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001680747116 1108056699 /nfs/dbraw/zinc/05/66/99/1108056699.db2.gz PXPJPXCLZCOWEN-MRXNPFEDSA-N 1 0 348.447 2.509 10 5 EFBERO Cc1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC001681231531 1108174970 /nfs/dbraw/zinc/17/49/70/1108174970.db2.gz MFIWIJVVXZRJJY-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000926953457 1108254685 /nfs/dbraw/zinc/25/46/85/1108254685.db2.gz LKAJDIXLBSPHDM-GFCCVEGCSA-N 1 0 328.434 2.625 10 5 EFBERO C[N@H+](CCNC(=O)c1sccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266272128 1108752708 /nfs/dbraw/zinc/75/27/08/1108752708.db2.gz QRNVTYTWHMKTLL-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898823120 1109094764 /nfs/dbraw/zinc/09/47/64/1109094764.db2.gz KDAKQBJQHWAGKK-HUUCEWRRSA-N 1 0 331.416 2.814 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898833390 1109096318 /nfs/dbraw/zinc/09/63/18/1109096318.db2.gz SIOLBUMJCLJZJJ-KGLIPLIRSA-N 1 0 349.456 2.919 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898833392 1109097494 /nfs/dbraw/zinc/09/74/94/1109097494.db2.gz SIOLBUMJCLJZJJ-UONOGXRCSA-N 1 0 349.456 2.919 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1C ZINC000898824994 1109099778 /nfs/dbraw/zinc/09/97/78/1109099778.db2.gz STEJWIXGEGNWPX-GJZGRUSLSA-N 1 0 331.416 2.814 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000898847404 1109103495 /nfs/dbraw/zinc/10/34/95/1109103495.db2.gz DMOGDVISIJOEKK-UONOGXRCSA-N 1 0 337.807 2.851 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000899563019 1109394994 /nfs/dbraw/zinc/39/49/94/1109394994.db2.gz QGSFICJTULBBGF-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CNc1ccc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000914444824 1111150095 /nfs/dbraw/zinc/15/00/95/1111150095.db2.gz ZVJLTMRMMFKMOJ-HIFRSBDPSA-N 1 0 348.447 2.971 10 5 EFBERO Cc1[nH]ccc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484629909 1113078684 /nfs/dbraw/zinc/07/86/84/1113078684.db2.gz IQJLPASGISAGSI-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO O=C(Cc1ccoc1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001484630489 1113078978 /nfs/dbraw/zinc/07/89/78/1113078978.db2.gz CKAZRJQDXYGAMV-UHFFFAOYSA-N 1 0 349.412 2.621 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001484733082 1113131144 /nfs/dbraw/zinc/13/11/44/1113131144.db2.gz RHCDAYNDHNHPHS-UHFFFAOYSA-N 1 0 330.388 2.517 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001485244244 1118175495 /nfs/dbraw/zinc/17/54/95/1118175495.db2.gz ZBBOQNMPVXCNEQ-UHFFFAOYSA-N 1 0 349.403 2.886 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001485696618 1118534598 /nfs/dbraw/zinc/53/45/98/1118534598.db2.gz YPWNKLBVWMTLOS-SHTZXODSSA-N 1 0 331.416 2.769 10 5 EFBERO O=[N+]([O-])c1ccc(CNCC[NH+]2CCCC2)c(Br)c1 ZINC000054127033 214218259 /nfs/dbraw/zinc/21/82/59/214218259.db2.gz LAQLCWUTSBKEGG-UHFFFAOYSA-N 1 0 328.210 2.543 10 5 EFBERO Cc1sc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055407471 214321269 /nfs/dbraw/zinc/32/12/69/214321269.db2.gz CVZMWEPEOKKGOU-QWRGUYRKSA-N 1 0 325.434 2.815 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153975838 529405023 /nfs/dbraw/zinc/40/50/23/529405023.db2.gz LIQRCVUOPJDIKM-NVXWUHKLSA-N 1 0 331.416 2.613 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000130262391 529494306 /nfs/dbraw/zinc/49/43/06/529494306.db2.gz FQODQPDFDBSTOY-CJNGLKHVSA-N 1 0 334.420 2.639 10 5 EFBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1-n1cnc2ccccc21 ZINC000040586503 213354884 /nfs/dbraw/zinc/35/48/84/213354884.db2.gz CRCLYOBQLMIQOK-UHFFFAOYSA-N 1 0 333.311 2.862 10 5 EFBERO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037622521 213161614 /nfs/dbraw/zinc/16/16/14/213161614.db2.gz QYTRXMMIBQWVOD-GFCCVEGCSA-N 1 0 330.182 2.813 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187936558 236348050 /nfs/dbraw/zinc/34/80/50/236348050.db2.gz UZYUJSDCKFANQA-SCLBCKFNSA-N 1 0 349.431 2.715 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187967276 236362159 /nfs/dbraw/zinc/36/21/59/236362159.db2.gz VZGLXQHAYMBTLY-UGSOOPFHSA-N 1 0 349.431 2.715 10 5 EFBERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714977 239261987 /nfs/dbraw/zinc/26/19/87/239261987.db2.gz VNMJDJRPURCZPC-AEJSXWLSSA-N 1 0 329.784 2.588 10 5 EFBERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177535311 239380831 /nfs/dbraw/zinc/38/08/31/239380831.db2.gz XVUQZJLFZLYPDW-GJZGRUSLSA-N 1 0 329.400 2.606 10 5 EFBERO C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235324176 242283810 /nfs/dbraw/zinc/28/38/10/242283810.db2.gz RKQIRXDLOVSSCW-ZYHUDNBSSA-N 1 0 342.237 2.917 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412195980 243196827 /nfs/dbraw/zinc/19/68/27/243196827.db2.gz AUGPWTGZIZPTDV-NWCILSHNSA-N 1 0 345.443 2.935 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246940672 243337978 /nfs/dbraw/zinc/33/79/78/243337978.db2.gz HMQQBLBIRRUDHL-ZBFHGGJFSA-N 1 0 346.431 2.844 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414517917 244208854 /nfs/dbraw/zinc/20/88/54/244208854.db2.gz AIRZVPDTVNGQPG-QGZVFWFLSA-N 1 0 343.358 2.937 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416019218 244485260 /nfs/dbraw/zinc/48/52/60/244485260.db2.gz XERLMMXIJQFNLH-UHFFFAOYSA-N 1 0 340.383 2.904 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000078870243 217134985 /nfs/dbraw/zinc/13/49/85/217134985.db2.gz LZMLDTKOCNKTJF-WDEREUQCSA-N 1 0 325.796 2.803 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000422564651 246386247 /nfs/dbraw/zinc/38/62/47/246386247.db2.gz WMWPNNCUEYXCSH-UHFFFAOYSA-N 1 0 327.331 2.524 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424334833 246730951 /nfs/dbraw/zinc/73/09/51/246730951.db2.gz XCTIEJSDXFUUGV-STQMWFEESA-N 1 0 335.404 2.513 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425541454 247127022 /nfs/dbraw/zinc/12/70/22/247127022.db2.gz MQXQYTYDSAJRJS-GOSISDBHSA-N 1 0 348.443 2.685 10 5 EFBERO Cc1c(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000425548299 247128145 /nfs/dbraw/zinc/12/81/45/247128145.db2.gz UHUQWQDDGHIKTP-SFHVURJKSA-N 1 0 348.443 2.951 10 5 EFBERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426006141 247225836 /nfs/dbraw/zinc/22/58/36/247225836.db2.gz ZUFBCOYYOLOARQ-DGCLKSJQSA-N 1 0 333.413 2.921 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433084063 248013777 /nfs/dbraw/zinc/01/37/77/248013777.db2.gz RPGJJFGPPPAPOY-QOZQQMKHSA-N 1 0 333.388 2.710 10 5 EFBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cnccn2)CC1 ZINC000434738805 248184175 /nfs/dbraw/zinc/18/41/75/248184175.db2.gz SDZSDYAWMNFMAR-UHFFFAOYSA-N 1 0 345.378 2.625 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441198692 250006690 /nfs/dbraw/zinc/00/66/90/250006690.db2.gz NNGAXRSRHLKXIM-GJZGRUSLSA-N 1 0 347.415 2.590 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441274768 250013666 /nfs/dbraw/zinc/01/36/66/250013666.db2.gz GALQIEGYWUZACB-CABCVRRESA-N 1 0 347.415 2.590 10 5 EFBERO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010018878 211140376 /nfs/dbraw/zinc/14/03/76/211140376.db2.gz CYNNMPCCJLVCHW-KRWDZBQOSA-N 1 0 343.383 2.636 10 5 EFBERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644320 218238651 /nfs/dbraw/zinc/23/86/51/218238651.db2.gz CAZDXQAKJXRZKC-JSGCOSHPSA-N 1 0 337.420 2.527 10 5 EFBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000444013511 250248873 /nfs/dbraw/zinc/24/88/73/250248873.db2.gz YMBQZVBOVUAYAC-CQSZACIVSA-N 1 0 347.394 2.534 10 5 EFBERO COc1cccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000444178137 250268926 /nfs/dbraw/zinc/26/89/26/250268926.db2.gz BHTBDKJAFVGKJN-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000444869428 250359718 /nfs/dbraw/zinc/35/97/18/250359718.db2.gz DFJPOTCOZMECAM-UHFFFAOYSA-N 1 0 333.388 2.668 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000267440411 251060233 /nfs/dbraw/zinc/06/02/33/251060233.db2.gz YROUQKYSNGCHLO-MNOVXSKESA-N 1 0 325.796 2.803 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664803 251105359 /nfs/dbraw/zinc/10/53/59/251105359.db2.gz BURDROUXXOPMPM-QDFGCFFBSA-N 1 0 330.306 2.853 10 5 EFBERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679066 251113222 /nfs/dbraw/zinc/11/32/22/251113222.db2.gz QULGHDCWCNCCCC-CZUORRHYSA-N 1 0 346.383 2.827 10 5 EFBERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676090 251114074 /nfs/dbraw/zinc/11/40/74/251114074.db2.gz FBUAAJAQOURHEB-DYVFJYSZSA-N 1 0 346.383 2.827 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000449775741 251151428 /nfs/dbraw/zinc/15/14/28/251151428.db2.gz RHGDSAZUKWYTIR-ZBFHGGJFSA-N 1 0 330.388 2.647 10 5 EFBERO COC(=O)Cc1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000450257428 251318533 /nfs/dbraw/zinc/31/85/33/251318533.db2.gz LMFARWPGVLNSLS-CYBMUJFWSA-N 1 0 335.404 2.597 10 5 EFBERO Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347093 251354752 /nfs/dbraw/zinc/35/47/52/251354752.db2.gz GVMNLPBMUGPTGP-SWLSCSKDSA-N 1 0 347.444 2.672 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451339683 251532160 /nfs/dbraw/zinc/53/21/60/251532160.db2.gz ITQIPHMLMFSUQB-KZNAEPCWSA-N 1 0 334.416 2.989 10 5 EFBERO COc1cc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1F ZINC000268253465 251765894 /nfs/dbraw/zinc/76/58/94/251765894.db2.gz ZYIPETUHJCDFLJ-AWEZNQCLSA-N 1 0 329.397 2.592 10 5 EFBERO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268556262 252019846 /nfs/dbraw/zinc/01/98/46/252019846.db2.gz NOAJHASXMOXPJH-AWEZNQCLSA-N 1 0 329.356 2.534 10 5 EFBERO COc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132976501 533025896 /nfs/dbraw/zinc/02/58/96/533025896.db2.gz LRMHANGQYOENNE-NVXWUHKLSA-N 1 0 349.431 2.783 10 5 EFBERO COc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132976293 533025817 /nfs/dbraw/zinc/02/58/17/533025817.db2.gz LRMHANGQYOENNE-RDJZCZTQSA-N 1 0 349.431 2.783 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261575690 285109919 /nfs/dbraw/zinc/10/99/19/285109919.db2.gz BPLDNPPRFHWJNX-MWLCHTKSSA-N 1 0 326.194 2.546 10 5 EFBERO C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000000651 208548027 /nfs/dbraw/zinc/54/80/27/208548027.db2.gz CQRKVVAGMJJJSR-LJQANCHMSA-N 1 0 340.443 2.705 10 5 in-man EFBERO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000097312391 219012033 /nfs/dbraw/zinc/01/20/33/219012033.db2.gz VTUYVCDTEIVEHN-QKIRZYONSA-N 1 0 347.390 2.834 10 5 EFBERO CCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000112695452 220376187 /nfs/dbraw/zinc/37/61/87/220376187.db2.gz QINKOKGZRJFSAK-UHFFFAOYSA-N 1 0 329.404 2.524 10 5 EFBERO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261811293 285164150 /nfs/dbraw/zinc/16/41/50/285164150.db2.gz HQFZXIZNWRLNMH-UHFFFAOYSA-N 1 0 338.411 2.885 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000130984059 533407025 /nfs/dbraw/zinc/40/70/25/533407025.db2.gz PUUZICBQRYDXGJ-SNVBAGLBSA-N 1 0 339.193 2.905 10 5 EFBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000343511779 142009774 /nfs/dbraw/zinc/00/97/74/142009774.db2.gz BFVCQGRENQSYQT-CQSZACIVSA-N 1 0 334.420 2.651 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000344554324 142039229 /nfs/dbraw/zinc/03/92/29/142039229.db2.gz XSBQCNRZRGFDGG-XNRPHZJLSA-N 1 0 331.416 2.817 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344639779 142053769 /nfs/dbraw/zinc/05/37/69/142053769.db2.gz HDBLHSZIEVJQIN-INIZCTEOSA-N 1 0 349.431 2.844 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000345942991 142121827 /nfs/dbraw/zinc/12/18/27/142121827.db2.gz FKJYJXDCHYRNOF-VXGBXAGGSA-N 1 0 330.388 2.631 10 5 EFBERO C[NH+]1CCC(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000346409995 142201007 /nfs/dbraw/zinc/20/10/07/142201007.db2.gz DSPOPMPGJPEWGY-UHFFFAOYSA-N 1 0 345.403 2.517 10 5 EFBERO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC000347782170 142271295 /nfs/dbraw/zinc/27/12/95/142271295.db2.gz HXTIJULYEASHJI-UHFFFAOYSA-N 1 0 344.346 2.516 10 5 EFBERO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843169 142281039 /nfs/dbraw/zinc/28/10/39/142281039.db2.gz JGOYOVXUMBHEGG-BXUZGUMPSA-N 1 0 335.379 2.533 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347955878 142299868 /nfs/dbraw/zinc/29/98/68/142299868.db2.gz UATABNYMFFIALU-MLGOLLRUSA-N 1 0 349.456 2.628 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccsc1 ZINC000349316294 142320047 /nfs/dbraw/zinc/32/00/47/142320047.db2.gz WMVFENZSDYKOOJ-IAQYHMDHSA-N 1 0 349.412 2.697 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccsc1 ZINC000349381682 142327022 /nfs/dbraw/zinc/32/70/22/142327022.db2.gz QLSKCZKOGPVAPK-ABAIWWIYSA-N 1 0 349.412 2.697 10 5 EFBERO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692528 142348377 /nfs/dbraw/zinc/34/83/77/142348377.db2.gz JTBXTZQHLNZAGD-WBMJQRKESA-N 1 0 332.404 2.534 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000349980110 142385703 /nfs/dbraw/zinc/38/57/03/142385703.db2.gz YIWSZQHISJEJMM-UHFFFAOYSA-N 1 0 333.432 2.982 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912313 145219922 /nfs/dbraw/zinc/21/99/22/145219922.db2.gz CCCMOIPNRQENTD-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1[N+](=O)[O-] ZINC000348943254 146027973 /nfs/dbraw/zinc/02/79/73/146027973.db2.gz WMWYVOHDAHKJLJ-UHFFFAOYSA-N 1 0 339.395 2.659 10 5 EFBERO COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000351970815 146252211 /nfs/dbraw/zinc/25/22/11/146252211.db2.gz JPNBYTBFHUGTQT-UHFFFAOYSA-N 1 0 349.431 2.682 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352030736 146270029 /nfs/dbraw/zinc/27/00/29/146270029.db2.gz ASJPUJLAPIAHBZ-AWEZNQCLSA-N 1 0 349.412 2.617 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352030737 146270047 /nfs/dbraw/zinc/27/00/47/146270047.db2.gz ASJPUJLAPIAHBZ-CQSZACIVSA-N 1 0 349.412 2.617 10 5 EFBERO COC[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352784242 146320667 /nfs/dbraw/zinc/32/06/67/146320667.db2.gz RYVKVPAWDXGYEY-WMZOPIPTSA-N 1 0 330.384 2.671 10 5 EFBERO Cn1cnc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000352826387 146325735 /nfs/dbraw/zinc/32/57/35/146325735.db2.gz HIYDZYKTPSKZRJ-SFHVURJKSA-N 1 0 337.383 2.645 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356286020 147200246 /nfs/dbraw/zinc/20/02/46/147200246.db2.gz QRAYJVYIWAQJDI-CZUORRHYSA-N 1 0 348.447 2.829 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356340699 147217065 /nfs/dbraw/zinc/21/70/65/147217065.db2.gz PDFJKPYOFXNJEW-BBRMVZONSA-N 1 0 333.432 2.814 10 5 EFBERO C[NH+](C)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358101666 147708314 /nfs/dbraw/zinc/70/83/14/147708314.db2.gz YRVASGQYXMONAT-UHFFFAOYSA-N 1 0 337.395 2.564 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000359084970 147988734 /nfs/dbraw/zinc/98/87/34/147988734.db2.gz SBOQJFLMPPCGRE-JKSUJKDBSA-N 1 0 348.447 2.786 10 5 EFBERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570119 148126211 /nfs/dbraw/zinc/12/62/11/148126211.db2.gz ZJGSUERVGGBZTO-ABAIWWIYSA-N 1 0 346.387 2.750 10 5 EFBERO O=[N+]([O-])c1cc2ccccc2nc1NC1CC([NH+]2CCCCC2)C1 ZINC000360101470 148272150 /nfs/dbraw/zinc/27/21/50/148272150.db2.gz LDOYBHFOUXFWTL-UHFFFAOYSA-N 1 0 326.400 2.994 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363790554 149012871 /nfs/dbraw/zinc/01/28/71/149012871.db2.gz ALPCQGFSUABSCQ-CQSZACIVSA-N 1 0 347.415 2.733 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000366466714 149634379 /nfs/dbraw/zinc/63/43/79/149634379.db2.gz QGXGUBHUQMLITD-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370193451 150539797 /nfs/dbraw/zinc/53/97/97/150539797.db2.gz KPXLBWJUPWDJSY-OPFPJEHXSA-N 1 0 349.406 2.971 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373775843 151224269 /nfs/dbraw/zinc/22/42/69/151224269.db2.gz QBLTUGODSZJMJD-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373865582 151239837 /nfs/dbraw/zinc/23/98/37/151239837.db2.gz IQFASAVVISYQEW-HNNXBMFYSA-N 1 0 346.431 2.825 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373865583 151240134 /nfs/dbraw/zinc/24/01/34/151240134.db2.gz IQFASAVVISYQEW-OAHLLOKOSA-N 1 0 346.431 2.825 10 5 EFBERO CCOc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000374322756 151322428 /nfs/dbraw/zinc/32/24/28/151322428.db2.gz FVVFIBRSAVOWQJ-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])CCc1ccccc1 ZINC000261738019 286383914 /nfs/dbraw/zinc/38/39/14/286383914.db2.gz KHKIMORKCBSSTF-UHFFFAOYSA-N 1 0 329.400 2.607 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000340881050 164563333 /nfs/dbraw/zinc/56/33/33/164563333.db2.gz UMTQUTKNSHPHGU-CYBMUJFWSA-N 1 0 332.404 2.648 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122956155 222189913 /nfs/dbraw/zinc/18/99/13/222189913.db2.gz FCBMMIURZPFFLZ-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123115419 222218479 /nfs/dbraw/zinc/21/84/79/222218479.db2.gz GHLJXRPZVJUPOA-YPMHNXCESA-N 1 0 337.445 2.871 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123152110 222225111 /nfs/dbraw/zinc/22/51/11/222225111.db2.gz BUXVFZHZXSBZBH-NWDGAFQWSA-N 1 0 336.392 2.550 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171640509 227189311 /nfs/dbraw/zinc/18/93/11/227189311.db2.gz YYLYXTSDRGACPK-HNNXBMFYSA-N 1 0 342.399 2.803 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171641885 227193986 /nfs/dbraw/zinc/19/39/86/227193986.db2.gz KJLGQDLYGNEXPC-MRXNPFEDSA-N 1 0 326.400 2.966 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000052131343 292638120 /nfs/dbraw/zinc/63/81/20/292638120.db2.gz WNKFXOMYLLHCCQ-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235348479 287602354 /nfs/dbraw/zinc/60/23/54/287602354.db2.gz QRNRUHAMMUACJK-MWLCHTKSSA-N 1 0 328.210 2.921 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187185374 265090247 /nfs/dbraw/zinc/09/02/47/265090247.db2.gz ZGLKFCSEEBZNBO-CXAGYDPISA-N 1 0 342.399 2.719 10 5 EFBERO C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189088696 265173026 /nfs/dbraw/zinc/17/30/26/265173026.db2.gz FCPBAUFMZHCZOU-GFCCVEGCSA-N 1 0 329.356 2.565 10 5 EFBERO COc1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])cc1O ZINC000190398288 265222489 /nfs/dbraw/zinc/22/24/89/265222489.db2.gz OFHCFKNYMDQKLW-UHFFFAOYSA-N 1 0 346.383 2.964 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270041326 265612957 /nfs/dbraw/zinc/61/29/57/265612957.db2.gz APJCNUKOBOYSIW-HNNXBMFYSA-N 1 0 331.416 2.707 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438379 266265736 /nfs/dbraw/zinc/26/57/36/266265736.db2.gz OHUDAYZXSGHHIF-NXEZZACHSA-N 1 0 330.331 2.993 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000276592131 267019317 /nfs/dbraw/zinc/01/93/17/267019317.db2.gz NDCZAGZGHDECQP-LBPRGKRZSA-N 1 0 325.796 2.723 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552515 267195220 /nfs/dbraw/zinc/19/52/20/267195220.db2.gz SUYYBXNIBGPJTP-MWLCHTKSSA-N 1 0 346.330 2.719 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552517 267195672 /nfs/dbraw/zinc/19/56/72/267195672.db2.gz SUYYBXNIBGPJTP-ONGXEEELSA-N 1 0 346.330 2.719 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578273 267202761 /nfs/dbraw/zinc/20/27/61/267202761.db2.gz VPJCBOYRIRCROI-OUJBWJOFSA-N 1 0 341.795 2.590 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578266 267202827 /nfs/dbraw/zinc/20/28/27/267202827.db2.gz VPJCBOYRIRCROI-GBIKHYSHSA-N 1 0 341.795 2.590 10 5 EFBERO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000191761404 273060869 /nfs/dbraw/zinc/06/08/69/273060869.db2.gz KGUPJJSMGDXJDL-KRWDZBQOSA-N 1 0 343.358 2.625 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274242625 273127016 /nfs/dbraw/zinc/12/70/16/273127016.db2.gz HQZDEBMRZUPRLQ-UHFFFAOYSA-N 1 0 338.820 2.883 10 5 EFBERO CC[NH+](CC)[C@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279710385 273244624 /nfs/dbraw/zinc/24/46/24/273244624.db2.gz SLDKPPRMHBRDHD-RHSMWYFYSA-N 1 0 345.447 2.738 10 5 EFBERO CC[NH+](CC)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000447681212 273642127 /nfs/dbraw/zinc/64/21/27/273642127.db2.gz XBLAVZQUBSEOKT-OAHLLOKOSA-N 1 0 343.387 2.981 10 5 EFBERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285137563 273948398 /nfs/dbraw/zinc/94/83/98/273948398.db2.gz LQXSQNFEQYFJGL-LLVKDONJSA-N 1 0 348.428 2.709 10 5 EFBERO COC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000268841190 274000379 /nfs/dbraw/zinc/00/03/79/274000379.db2.gz OPJMSHJGPLBHFJ-BBRMVZONSA-N 1 0 347.415 2.610 10 5 EFBERO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425463535 274083681 /nfs/dbraw/zinc/08/36/81/274083681.db2.gz XZFXPUFGKQEDGQ-TXEJJXNPSA-N 1 0 329.194 2.967 10 5 EFBERO C[C@@H](C[NH+]1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000285960405 274107590 /nfs/dbraw/zinc/10/75/90/274107590.db2.gz AMPXGIRLJZXGND-NSHDSACASA-N 1 0 331.376 2.530 10 5 EFBERO Cc1cc(N2CCO[C@@]3(CCCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286655967 274244787 /nfs/dbraw/zinc/24/47/87/274244787.db2.gz UYOYYYNGNFRDQO-SFHVURJKSA-N 1 0 343.383 2.837 10 5 EFBERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806894 274606143 /nfs/dbraw/zinc/60/61/43/274606143.db2.gz DFPBIZXDXYUIRN-CABZTGNLSA-N 1 0 329.194 2.872 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228552595 274957415 /nfs/dbraw/zinc/95/74/15/274957415.db2.gz WRIBBTSKQROXOF-YUSALJHKSA-N 1 0 340.221 2.921 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368144947 275535368 /nfs/dbraw/zinc/53/53/68/275535368.db2.gz FGYVJLJSXBYIRL-HNNXBMFYSA-N 1 0 331.416 2.764 10 5 EFBERO CC(C)[C@H]([NH3+])CCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000232734352 275703237 /nfs/dbraw/zinc/70/32/37/275703237.db2.gz JGWKDECVODKMCD-SNVBAGLBSA-N 1 0 331.214 2.562 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080072117 276111755 /nfs/dbraw/zinc/11/17/55/276111755.db2.gz NTXSMSHOMKWOTQ-ZDUSSCGKSA-N 1 0 336.436 2.859 10 5 EFBERO CN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424327793 277134999 /nfs/dbraw/zinc/13/49/99/277134999.db2.gz OUCOLDVPVCOJBL-MLGOLLRUSA-N 1 0 331.416 2.775 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000360243473 278076711 /nfs/dbraw/zinc/07/67/11/278076711.db2.gz WBUADGOZTDFXGW-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000361213949 280158924 /nfs/dbraw/zinc/15/89/24/280158924.db2.gz TUZUBJYVEJGWHU-MAUKXSAKSA-N 1 0 345.443 2.716 10 5 EFBERO Cc1c(Br)c(N2CCC[C@@H](C)[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000228017302 280198081 /nfs/dbraw/zinc/19/80/81/280198081.db2.gz QKKKWVIWLKDAIV-PSASIEDQSA-N 1 0 343.225 2.624 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000107778961 280323739 /nfs/dbraw/zinc/32/37/39/280323739.db2.gz WABQCYITTDMMSK-CQSZACIVSA-N 1 0 346.431 2.576 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000107522722 280324012 /nfs/dbraw/zinc/32/40/12/280324012.db2.gz BVWWNMZGQCIHKR-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000107778956 280324100 /nfs/dbraw/zinc/32/41/00/280324100.db2.gz WABQCYITTDMMSK-AWEZNQCLSA-N 1 0 346.431 2.576 10 5 EFBERO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300489451 280577285 /nfs/dbraw/zinc/57/72/85/280577285.db2.gz XRGZBDPZYQALGW-UWVGGRQHSA-N 1 0 328.210 2.839 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175008959 281192060 /nfs/dbraw/zinc/19/20/60/281192060.db2.gz UZQVYBIQEWRFMP-QWHCGFSZSA-N 1 0 337.807 2.947 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073900080 292730078 /nfs/dbraw/zinc/73/00/78/292730078.db2.gz LZZANVFNNCHGIF-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000408027666 290114626 /nfs/dbraw/zinc/11/46/26/290114626.db2.gz ORLDTUJZRFRGCL-OLZOCXBDSA-N 1 0 346.214 2.811 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000129588234 293138434 /nfs/dbraw/zinc/13/84/34/293138434.db2.gz RYCMSQHWUZCNNE-UHFFFAOYSA-N 1 0 348.447 2.633 10 5 EFBERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130316532 293161433 /nfs/dbraw/zinc/16/14/33/293161433.db2.gz YCISQWRTCRLQON-CHWSQXEVSA-N 1 0 344.415 2.926 10 5 EFBERO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000133859863 293270455 /nfs/dbraw/zinc/27/04/55/293270455.db2.gz XYPRFWLNBVCNSU-OAHLLOKOSA-N 1 0 343.383 2.636 10 5 EFBERO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249699 293367575 /nfs/dbraw/zinc/36/75/75/293367575.db2.gz DUUCRHPDYRYFLE-ZIAGYGMSSA-N 1 0 331.416 2.742 10 5 EFBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153623956 293384901 /nfs/dbraw/zinc/38/49/01/293384901.db2.gz BVWPEYOTYVHSCG-CYBMUJFWSA-N 1 0 343.374 2.765 10 5 EFBERO Cc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153622563 293385053 /nfs/dbraw/zinc/38/50/53/293385053.db2.gz GBOXKDPJKIBNCZ-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO CS[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000291787267 294484212 /nfs/dbraw/zinc/48/42/12/294484212.db2.gz CWYGASVNYKTNPF-HUUCEWRRSA-N 1 0 332.429 2.625 10 5 EFBERO Cc1cccnc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295105458 295268554 /nfs/dbraw/zinc/26/85/54/295268554.db2.gz VLJNDXRUYUFBSS-CQSZACIVSA-N 1 0 342.399 2.848 10 5 EFBERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000295121412 295270826 /nfs/dbraw/zinc/27/08/26/295270826.db2.gz WQRFCFRVHBTEAO-AWEZNQCLSA-N 1 0 331.397 2.692 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295765435 295372895 /nfs/dbraw/zinc/37/28/95/295372895.db2.gz WHWKDFHVCVSMAZ-XDPMZMSMSA-N 1 0 343.427 2.941 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000365370519 304799534 /nfs/dbraw/zinc/79/95/34/304799534.db2.gz CFJCIZNMIMUUJG-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261723127 304799566 /nfs/dbraw/zinc/79/95/66/304799566.db2.gz LHZOPGNNSVZFTJ-MRXNPFEDSA-N 1 0 332.791 2.790 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261799240 304802264 /nfs/dbraw/zinc/80/22/64/304802264.db2.gz QSTJLAQHVDBITM-INIZCTEOSA-N 1 0 332.791 2.790 10 5 EFBERO Cn1cc(C[NH2+]CC2(CCO)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000136528901 310664030 /nfs/dbraw/zinc/66/40/30/310664030.db2.gz XBFVEFCVTQQZPY-UHFFFAOYSA-N 1 0 344.415 2.638 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000298241768 310970854 /nfs/dbraw/zinc/97/08/54/310970854.db2.gz CVUHVJRSSLFLNU-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000298744581 311019699 /nfs/dbraw/zinc/01/96/99/311019699.db2.gz YTSTUODMSWGWJE-LBPRGKRZSA-N 1 0 332.404 2.766 10 5 EFBERO Cc1sc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000299000003 311040827 /nfs/dbraw/zinc/04/08/27/311040827.db2.gz QAMBDICMJPWUIY-CQSZACIVSA-N 1 0 347.440 2.867 10 5 EFBERO Nc1nc(NCc2ccccc2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000301079330 311117867 /nfs/dbraw/zinc/11/78/67/311117867.db2.gz FYSNIQQGBGMWTC-UHFFFAOYSA-N 1 0 342.403 2.565 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000301102216 311119016 /nfs/dbraw/zinc/11/90/16/311119016.db2.gz OOAJVPIWUWIGLL-DODUIYEKSA-N 1 0 345.399 2.820 10 5 EFBERO CC[N@@H+]1CCCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301265199 311127831 /nfs/dbraw/zinc/12/78/31/311127831.db2.gz WBMGFEBPXQOOPW-UHFFFAOYSA-N 1 0 341.415 2.892 10 5 EFBERO COC(=O)c1cc(NCC[NH+]2CCCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301556785 311144390 /nfs/dbraw/zinc/14/43/90/311144390.db2.gz IWGPNQXSFABLLV-UHFFFAOYSA-N 1 0 335.404 2.978 10 5 EFBERO COC(=O)c1cc(N2CC[NH+](C3CCCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301586511 311146205 /nfs/dbraw/zinc/14/62/05/311146205.db2.gz VTMKKGNDXYAUKA-UHFFFAOYSA-N 1 0 347.415 2.754 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000301728107 311155255 /nfs/dbraw/zinc/15/52/55/311155255.db2.gz RATMFQXIHOHMCH-KGLIPLIRSA-N 1 0 339.823 2.674 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000302065811 311175797 /nfs/dbraw/zinc/17/57/97/311175797.db2.gz UIJPVKFFHUPWCN-GDBMZVCRSA-N 1 0 331.416 2.540 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000302146240 311180418 /nfs/dbraw/zinc/18/04/18/311180418.db2.gz GPZPRXCNZQZBDE-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000302169598 311181920 /nfs/dbraw/zinc/18/19/20/311181920.db2.gz TYZSWDVBPSKOGP-FZMZJTMJSA-N 1 0 333.417 2.941 10 5 EFBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000311806026 311230196 /nfs/dbraw/zinc/23/01/96/311230196.db2.gz OFOSIQUGEWFQDF-NOZJJQNGSA-N 1 0 328.210 2.778 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324249506 311241381 /nfs/dbraw/zinc/24/13/81/311241381.db2.gz ZSBUCWPVQWWEJR-FIEKWJHISA-N 1 0 329.400 2.599 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326440020 311244254 /nfs/dbraw/zinc/24/42/54/311244254.db2.gz ZHGJYEHVZYZRBT-MRXNPFEDSA-N 1 0 330.384 2.741 10 5 EFBERO COc1ccc(-c2ccc(CN3CC[C@H]([NH3+])[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414775601 312052210 /nfs/dbraw/zinc/05/22/10/312052210.db2.gz VZHSKEZBGRPYFS-NHYWBVRUSA-N 1 0 331.372 2.785 10 5 EFBERO [NH3+][C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842991 312057739 /nfs/dbraw/zinc/05/77/39/312057739.db2.gz ZZHKXFDLYGUYSQ-AWEZNQCLSA-N 1 0 337.326 2.986 10 5 EFBERO COc1ccc(-c2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930754 312065824 /nfs/dbraw/zinc/06/58/24/312065824.db2.gz PEYXJLAVNVXJJE-LRDDRELGSA-N 1 0 345.399 2.951 10 5 EFBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447797 312140581 /nfs/dbraw/zinc/14/05/81/312140581.db2.gz UOAKBLUONDLGSI-KCJUWKMLSA-N 1 0 346.309 2.733 10 5 EFBERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304595 312206550 /nfs/dbraw/zinc/20/65/50/312206550.db2.gz CESMBUZBTZKGQI-YOEHRIQHSA-N 1 0 346.431 2.756 10 5 EFBERO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304592 312206578 /nfs/dbraw/zinc/20/65/78/312206578.db2.gz CESMBUZBTZKGQI-PBHICJAKSA-N 1 0 346.431 2.756 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417846360 312280669 /nfs/dbraw/zinc/28/06/69/312280669.db2.gz JFBUCMAAQPYMRN-NTQSIJHJSA-N 1 0 346.431 2.889 10 5 EFBERO Cc1c(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000418078562 312321810 /nfs/dbraw/zinc/32/18/10/312321810.db2.gz JOZMKLZAAZZTGC-ZDUSSCGKSA-N 1 0 342.399 2.922 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCCCC1 ZINC000418287312 312357588 /nfs/dbraw/zinc/35/75/88/312357588.db2.gz TUQGBACSKIIDFT-UHFFFAOYSA-N 1 0 348.447 2.830 10 5 EFBERO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423956108 312488716 /nfs/dbraw/zinc/48/87/16/312488716.db2.gz AGWBCOOCXQGPKP-JKSUJKDBSA-N 1 0 331.416 2.761 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000439121037 312634910 /nfs/dbraw/zinc/63/49/10/312634910.db2.gz UJABUVLJGYINFZ-ZDUSSCGKSA-N 1 0 332.404 2.648 10 5 EFBERO CCC(=O)N[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182008 313130507 /nfs/dbraw/zinc/13/05/07/313130507.db2.gz IONKRDRUZIMCHE-DNXIFWLFSA-N 1 0 331.416 2.989 10 5 EFBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)c1 ZINC000473742090 313199972 /nfs/dbraw/zinc/19/99/72/313199972.db2.gz HXWOCGYNXSDBHI-GOSISDBHSA-N 1 0 333.432 2.658 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NCC1CC[NH+](C2CC2)CC1 ZINC000487748156 313424166 /nfs/dbraw/zinc/42/41/66/313424166.db2.gz KAQOWDOKLURILN-UHFFFAOYSA-N 1 0 326.400 2.851 10 5 EFBERO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937261 314184501 /nfs/dbraw/zinc/18/45/01/314184501.db2.gz QPUOJZWIKHVJNF-CXAGYDPISA-N 1 0 336.388 2.815 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494702685 314626681 /nfs/dbraw/zinc/62/66/81/314626681.db2.gz LEWUEDZZHSXKLI-FZMZJTMJSA-N 1 0 349.412 2.615 10 5 EFBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469324 315620684 /nfs/dbraw/zinc/62/06/84/315620684.db2.gz JNSFJJJQQFTQJA-ZFWWWQNUSA-N 1 0 330.432 2.932 10 5 EFBERO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000524776143 316174667 /nfs/dbraw/zinc/17/46/67/316174667.db2.gz XHQRSGJAIXYEKT-CABCVRRESA-N 1 0 346.431 2.724 10 5 EFBERO Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1C ZINC000525725262 316230000 /nfs/dbraw/zinc/23/00/00/316230000.db2.gz IVDNMSUFCOWHMF-UHFFFAOYSA-N 1 0 325.328 2.746 10 5 EFBERO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531882556 317327575 /nfs/dbraw/zinc/32/75/75/317327575.db2.gz BRTVLDUNBBFTHK-ZDUSSCGKSA-N 1 0 342.399 2.849 10 5 EFBERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136974 317360296 /nfs/dbraw/zinc/36/02/96/317360296.db2.gz BWMGROANQYOIPP-ZFWWWQNUSA-N 1 0 340.383 2.555 10 5 EFBERO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000532142182 317362040 /nfs/dbraw/zinc/36/20/40/317362040.db2.gz LXASAZDUWZGIOP-QGZVFWFLSA-N 1 0 342.399 2.585 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000541936251 317799764 /nfs/dbraw/zinc/79/97/64/317799764.db2.gz UNJXZJPMBBKMNR-UHFFFAOYSA-N 1 0 340.427 2.971 10 5 EFBERO CS[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000548691774 318132991 /nfs/dbraw/zinc/13/29/91/318132991.db2.gz PMFUIMLTVVWWCL-UONOGXRCSA-N 1 0 336.461 2.623 10 5 EFBERO C[N@H+](CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000548720783 318136352 /nfs/dbraw/zinc/13/63/52/318136352.db2.gz CJEYCSYIRQNHDG-UHFFFAOYSA-N 1 0 346.431 2.529 10 5 EFBERO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000555312821 318352888 /nfs/dbraw/zinc/35/28/88/318352888.db2.gz KHIDHGWQUKQHDW-WWTUQBGBSA-N 1 0 331.416 2.830 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CO)c(F)c2)n1 ZINC000564705551 318883063 /nfs/dbraw/zinc/88/30/63/318883063.db2.gz GNJRTJFOKXUVTL-HOTGVXAUSA-N 1 0 348.378 2.696 10 5 EFBERO Cc1cnc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000566007106 319022734 /nfs/dbraw/zinc/02/27/34/319022734.db2.gz FZBGHHGVAAQUEU-OAHLLOKOSA-N 1 0 341.415 2.731 10 5 EFBERO CSc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000566102021 319032629 /nfs/dbraw/zinc/03/26/29/319032629.db2.gz GHWPNAYUUOWRDM-MRXNPFEDSA-N 1 0 335.429 2.532 10 5 EFBERO C[NH+](C)[C@@]1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCSC1 ZINC000566675256 319100876 /nfs/dbraw/zinc/10/08/76/319100876.db2.gz ISILKGKCAMRNIA-MRXNPFEDSA-N 1 0 336.461 2.718 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000566733378 319105873 /nfs/dbraw/zinc/10/58/73/319105873.db2.gz RLSJHBYDUKEKPF-YIZWMMSDSA-N 1 0 344.358 2.748 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567667701 319194244 /nfs/dbraw/zinc/19/42/44/319194244.db2.gz KZCAUFOXQWUKBK-NSHDSACASA-N 1 0 343.305 2.580 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000567679877 319195901 /nfs/dbraw/zinc/19/59/01/319195901.db2.gz HSVDVQJOGWHPNM-JCYILVPMSA-N 1 0 342.395 2.870 10 5 EFBERO Cc1nn(C)c(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000568444445 319283323 /nfs/dbraw/zinc/28/33/23/319283323.db2.gz GVMKWJGOKJNUPH-JOCQHMNTSA-N 1 0 330.392 2.867 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110489 319349482 /nfs/dbraw/zinc/34/94/82/319349482.db2.gz GQVJTLOPINNRDZ-ZXYWRSMDSA-N 1 0 342.395 2.858 10 5 EFBERO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569166854 319353504 /nfs/dbraw/zinc/35/35/04/319353504.db2.gz IQYJMMHQWYPASL-ZDUSSCGKSA-N 1 0 346.431 2.855 10 5 EFBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cn3)cccc21 ZINC000569305704 319366691 /nfs/dbraw/zinc/36/66/91/319366691.db2.gz IMZYRGQFDYYKDX-HNNXBMFYSA-N 1 0 342.355 2.627 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2cccc(F)c2)c1 ZINC000569715502 319407342 /nfs/dbraw/zinc/40/73/42/319407342.db2.gz NFHQPXRNIAVJCK-KRWDZBQOSA-N 1 0 348.374 2.696 10 5 EFBERO CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571432218 319574000 /nfs/dbraw/zinc/57/40/00/319574000.db2.gz IDEWFAZSJKFUAD-SFHVURJKSA-N 1 0 331.416 2.934 10 5 EFBERO CC(C)Oc1nc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000573980627 319818119 /nfs/dbraw/zinc/81/81/19/319818119.db2.gz BFJZONHJZFOIOK-UHFFFAOYSA-N 1 0 334.420 2.628 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576758994 320045831 /nfs/dbraw/zinc/04/58/31/320045831.db2.gz NTQZAFVTSNEALY-BXUZGUMPSA-N 1 0 334.376 2.532 10 5 EFBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000577090518 320077066 /nfs/dbraw/zinc/07/70/66/320077066.db2.gz GJEIZXQTZZUTEC-ZDUSSCGKSA-N 1 0 335.404 2.550 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577540609 320120138 /nfs/dbraw/zinc/12/01/38/320120138.db2.gz FMMTWNBZJPVTKU-OKILXGFUSA-N 1 0 337.420 2.905 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000578127220 320176066 /nfs/dbraw/zinc/17/60/66/320176066.db2.gz IZNGTAMNPNJCJC-INIZCTEOSA-N 1 0 335.429 2.532 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578739683 320234679 /nfs/dbraw/zinc/23/46/79/320234679.db2.gz JRSIQKBGCUZHAI-KRWDZBQOSA-N 1 0 329.356 2.557 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000578754354 320236646 /nfs/dbraw/zinc/23/66/46/320236646.db2.gz ZKTPPAIUNITGBU-LRDDRELGSA-N 1 0 337.420 2.619 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013487 323380178 /nfs/dbraw/zinc/38/01/78/323380178.db2.gz BJWMLCLTFDAHFR-QWHCGFSZSA-N 1 0 339.411 2.930 10 5 EFBERO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000581927915 324482027 /nfs/dbraw/zinc/48/20/27/324482027.db2.gz IYCSHIFHPIXURM-INIZCTEOSA-N 1 0 326.356 2.791 10 5 EFBERO COC(=O)c1cc(OCc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000583503327 324824245 /nfs/dbraw/zinc/82/42/45/324824245.db2.gz YFRKDPWZKPJNOB-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138241496 473217502 /nfs/dbraw/zinc/21/75/02/473217502.db2.gz WGYRKVQNJUZKCQ-UHFFFAOYSA-N 1 0 348.447 2.557 10 5 EFBERO COC(=O)c1cc(NC2CC[NH+](C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000095966482 473233017 /nfs/dbraw/zinc/23/30/17/473233017.db2.gz RWIXLCYKULSQSF-UHFFFAOYSA-N 1 0 333.388 2.729 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000124571417 473266237 /nfs/dbraw/zinc/26/62/37/473266237.db2.gz HSLYYAPKMJRWDE-UHFFFAOYSA-N 1 0 327.384 2.895 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000171111877 473290169 /nfs/dbraw/zinc/29/01/69/473290169.db2.gz RXYKVOKSZYAETL-SECBINFHSA-N 1 0 349.368 2.674 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290857 /nfs/dbraw/zinc/29/08/57/473290857.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 1 0 340.427 2.944 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000124788108 473302946 /nfs/dbraw/zinc/30/29/46/473302946.db2.gz FWYTXWQSWWGPFC-UHFFFAOYSA-N 1 0 331.416 2.813 10 5 EFBERO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185025988 473304469 /nfs/dbraw/zinc/30/44/69/473304469.db2.gz DUOMHRGTQIVOBM-ZDUSSCGKSA-N 1 0 349.406 2.924 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000112918710 473332246 /nfs/dbraw/zinc/33/22/46/473332246.db2.gz GTMHHCNDFJDIJD-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO CCc1nnc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190694980 473363978 /nfs/dbraw/zinc/36/39/78/473363978.db2.gz HYWCZXALKAKWFM-UHFFFAOYSA-N 1 0 345.403 2.534 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113233308 473372586 /nfs/dbraw/zinc/37/25/86/473372586.db2.gz RIYRGDKRQRKRFH-VXGBXAGGSA-N 1 0 335.429 2.625 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000113367257 473389430 /nfs/dbraw/zinc/38/94/30/473389430.db2.gz LUEOEPHBISKJQC-CMPLNLGQSA-N 1 0 338.795 2.949 10 5 EFBERO C[NH+](C)C1CC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000622008189 479879347 /nfs/dbraw/zinc/87/93/47/479879347.db2.gz CAAXHUDOQDEHFE-UHFFFAOYSA-N 1 0 335.407 2.504 10 5 EFBERO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592153590 478802372 /nfs/dbraw/zinc/80/23/72/478802372.db2.gz HCPIGNRPOBOKPI-ZBFHGGJFSA-N 1 0 333.432 2.905 10 5 EFBERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479642 478810893 /nfs/dbraw/zinc/81/08/93/478810893.db2.gz GGQZZLHYCJVADB-DOMZBBRYSA-N 1 0 334.420 2.828 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903629 479503528 /nfs/dbraw/zinc/50/35/28/479503528.db2.gz IJRABXIEWKQOMK-IRXDYDNUSA-N 1 0 331.416 2.564 10 5 EFBERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713428 472039557 /nfs/dbraw/zinc/03/95/57/472039557.db2.gz LOZAQRUWZAEYGJ-SNVBAGLBSA-N 1 0 329.198 2.649 10 5 EFBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000024389457 472053825 /nfs/dbraw/zinc/05/38/25/472053825.db2.gz QDDGTRGKSCQWFF-UHFFFAOYSA-N 1 0 329.356 2.714 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132373 472139600 /nfs/dbraw/zinc/13/96/00/472139600.db2.gz FDCOERUCZSCMNK-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969161 472230571 /nfs/dbraw/zinc/23/05/71/472230571.db2.gz VZICVVGFBCYHTH-HZPDHXFCSA-N 1 0 333.432 2.843 10 5 EFBERO Cc1sc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000043732259 472258698 /nfs/dbraw/zinc/25/86/98/472258698.db2.gz BHMQQPZCTLJSSU-UHFFFAOYSA-N 1 0 333.413 2.956 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000031825522 472397911 /nfs/dbraw/zinc/39/79/11/472397911.db2.gz NCIGYPXSEQVYEN-CHWSQXEVSA-N 1 0 339.461 2.922 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128082844 472399000 /nfs/dbraw/zinc/39/90/00/472399000.db2.gz JHNYDAQNZGVFJJ-YESZJQIVSA-N 1 0 330.388 2.598 10 5 EFBERO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000128250863 472424668 /nfs/dbraw/zinc/42/46/68/472424668.db2.gz WMNJDUWGQFAKSA-KRWDZBQOSA-N 1 0 345.399 2.617 10 5 EFBERO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513423 472452729 /nfs/dbraw/zinc/45/27/29/472452729.db2.gz JFNCTUZXSPBRRR-KSSFIOAISA-N 1 0 339.395 2.874 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000129133757 472524490 /nfs/dbraw/zinc/52/44/90/472524490.db2.gz DQGYAHLBQLOYSM-KRWDZBQOSA-N 1 0 342.399 2.697 10 5 EFBERO Cc1sc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071040058 472536389 /nfs/dbraw/zinc/53/63/89/472536389.db2.gz RVCZZSTVERHBCW-UHFFFAOYSA-N 1 0 329.341 2.798 10 5 EFBERO O=[N+]([O-])c1cnc(Nc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000071261354 472545571 /nfs/dbraw/zinc/54/55/71/472545571.db2.gz FJWKTOUIHYOUKL-UHFFFAOYSA-N 1 0 329.360 2.603 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925934 472547176 /nfs/dbraw/zinc/54/71/76/472547176.db2.gz VTCDSERGGCPBBK-CXAGYDPISA-N 1 0 344.415 2.835 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155603817 472578677 /nfs/dbraw/zinc/57/86/77/472578677.db2.gz MAQXTOOWVNHUTI-CABCVRRESA-N 1 0 347.415 2.550 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155603714 472579100 /nfs/dbraw/zinc/57/91/00/472579100.db2.gz MAQXTOOWVNHUTI-HUUCEWRRSA-N 1 0 347.415 2.550 10 5 EFBERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130074047 472582314 /nfs/dbraw/zinc/58/23/14/472582314.db2.gz PYYIORVCFDCIJD-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130133075 472586434 /nfs/dbraw/zinc/58/64/34/472586434.db2.gz PHZFCKUKUKVICO-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046704041 472587744 /nfs/dbraw/zinc/58/77/44/472587744.db2.gz JEKDSWPRWYNBCJ-MRXNPFEDSA-N 1 0 334.347 2.606 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155701723 472598000 /nfs/dbraw/zinc/59/80/00/472598000.db2.gz OSESNFCTVOMORX-HZMBPMFUSA-N 1 0 325.796 2.707 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000155755793 472609795 /nfs/dbraw/zinc/60/97/95/472609795.db2.gz XERWRORAQNDLTK-HZMBPMFUSA-N 1 0 325.796 2.707 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000090538835 472631331 /nfs/dbraw/zinc/63/13/31/472631331.db2.gz WSRGSMCKJNWORM-CQSZACIVSA-N 1 0 336.779 2.948 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000120129248 472636116 /nfs/dbraw/zinc/63/61/16/472636116.db2.gz ROMMDZNHXUCVPI-UHFFFAOYSA-N 1 0 346.391 2.614 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047142658 472660046 /nfs/dbraw/zinc/66/00/46/472660046.db2.gz VHHLVHYVIZWAOX-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000078307426 472693667 /nfs/dbraw/zinc/69/36/67/472693667.db2.gz GGICLYHSWHXMNZ-HNNXBMFYSA-N 1 0 341.415 2.612 10 5 EFBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104976033 472708546 /nfs/dbraw/zinc/70/85/46/472708546.db2.gz NGIAEFKDDLCGPV-LBPRGKRZSA-N 1 0 338.795 2.950 10 5 EFBERO CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000120920545 472768113 /nfs/dbraw/zinc/76/81/13/472768113.db2.gz XAUFESRYYZCGFX-DBWMJRBXSA-N 1 0 333.432 2.651 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802164 472778259 /nfs/dbraw/zinc/77/82/59/472778259.db2.gz MWUHTRGPVVTWMX-ZFWWWQNUSA-N 1 0 327.388 2.704 10 5 EFBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803857 472779578 /nfs/dbraw/zinc/77/95/78/472779578.db2.gz JRFXMFQVSUFZSE-QGZVFWFLSA-N 1 0 341.415 2.528 10 5 EFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105885403 472795346 /nfs/dbraw/zinc/79/53/46/472795346.db2.gz HXLDFCKUAZRFBB-QGZVFWFLSA-N 1 0 343.431 2.758 10 5 EFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105884781 472795771 /nfs/dbraw/zinc/79/57/71/472795771.db2.gz MRSJOYFRVVFYBV-MRXNPFEDSA-N 1 0 329.404 2.715 10 5 EFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105885405 472796340 /nfs/dbraw/zinc/79/63/40/472796340.db2.gz HXLDFCKUAZRFBB-KRWDZBQOSA-N 1 0 343.431 2.758 10 5 EFBERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105901545 472806894 /nfs/dbraw/zinc/80/68/94/472806894.db2.gz PSRACASEIAJMII-OAHLLOKOSA-N 1 0 330.388 2.816 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000121841970 472927663 /nfs/dbraw/zinc/92/76/63/472927663.db2.gz HJHDVPSZBTXOPJ-AWEZNQCLSA-N 1 0 335.404 2.733 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092649500 472951621 /nfs/dbraw/zinc/95/16/21/472951621.db2.gz LTGBDIKQUQRUDA-ZDUSSCGKSA-N 1 0 330.388 2.666 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107527149 472961544 /nfs/dbraw/zinc/96/15/44/472961544.db2.gz HXEPHIJYWWBKQW-CQSZACIVSA-N 1 0 335.379 2.824 10 5 EFBERO CCc1nn(C)c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000092829706 472995663 /nfs/dbraw/zinc/99/56/63/472995663.db2.gz KATGRUDLKRVAPX-OAHLLOKOSA-N 1 0 349.479 2.983 10 5 EFBERO Cc1sc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000074380874 472997567 /nfs/dbraw/zinc/99/75/67/472997567.db2.gz SHPMMQWLBRYFAI-UHFFFAOYSA-N 1 0 325.434 2.961 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902431 473097264 /nfs/dbraw/zinc/09/72/64/473097264.db2.gz UJWNXXPXGVGMND-ACJLOTCBSA-N 1 0 349.431 2.700 10 5 EFBERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000052554462 473124203 /nfs/dbraw/zinc/12/42/03/473124203.db2.gz MIKXBAIQUUWSFJ-MRXNPFEDSA-N 1 0 327.384 2.936 10 5 EFBERO Cc1c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000109818958 473128120 /nfs/dbraw/zinc/12/81/20/473128120.db2.gz PVDPSYVLESYVRD-KRWDZBQOSA-N 1 0 333.432 2.590 10 5 EFBERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093740097 473136057 /nfs/dbraw/zinc/13/60/57/473136057.db2.gz RZNDDJDQODFZQX-INIZCTEOSA-N 1 0 335.448 2.607 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890716 473182854 /nfs/dbraw/zinc/18/28/54/473182854.db2.gz SCIMCURMUISLJS-WBMJQRKESA-N 1 0 344.367 2.750 10 5 EFBERO CCn1cc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000137019483 473190985 /nfs/dbraw/zinc/19/09/85/473190985.db2.gz VURZEJVBCKXEQU-SFHVURJKSA-N 1 0 344.415 2.724 10 5 EFBERO CC(C)c1nc2c(n1C)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052728 473192418 /nfs/dbraw/zinc/19/24/18/473192418.db2.gz RZZXJKIMOPBMCT-QGZVFWFLSA-N 1 0 344.415 2.543 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000137101771 473194216 /nfs/dbraw/zinc/19/42/16/473194216.db2.gz VZXFLALPCRZKTB-LLVKDONJSA-N 1 0 327.812 2.954 10 5 EFBERO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000171551912 473409178 /nfs/dbraw/zinc/40/91/78/473409178.db2.gz NQAVILFEFJSWPZ-OAHLLOKOSA-N 1 0 345.378 2.625 10 5 EFBERO CCC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300428 473440071 /nfs/dbraw/zinc/44/00/71/473440071.db2.gz YPHNVVDQEQZIOB-QZTJIDSGSA-N 1 0 335.448 2.872 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000185544505 473453817 /nfs/dbraw/zinc/45/38/17/473453817.db2.gz HHIXJMBJJARPKS-OFQRWUPVSA-N 1 0 333.432 2.715 10 5 EFBERO CC(C)C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000114376580 473457602 /nfs/dbraw/zinc/45/76/02/473457602.db2.gz SAYWJJLFZGXBNF-ZDUSSCGKSA-N 1 0 332.404 2.782 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000185647901 473477454 /nfs/dbraw/zinc/47/74/54/473477454.db2.gz DMXVJFJWGODVAT-VUCTXSBTSA-N 1 0 328.368 2.783 10 5 EFBERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714932 473571286 /nfs/dbraw/zinc/57/12/86/473571286.db2.gz VNMJDJRPURCZPC-LPEHRKFASA-N 1 0 329.784 2.588 10 5 EFBERO C[NH+](C)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153015011 473603731 /nfs/dbraw/zinc/60/37/31/473603731.db2.gz UFSIHLYKQSDPOE-UHFFFAOYSA-N 1 0 330.388 2.776 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116298350 473647661 /nfs/dbraw/zinc/64/76/61/473647661.db2.gz OACJUTGXBPTWQA-GDBMZVCRSA-N 1 0 332.356 2.765 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000179191238 473650010 /nfs/dbraw/zinc/65/00/10/473650010.db2.gz GZSJAHGDDBPFSW-MRXNPFEDSA-N 1 0 328.372 2.530 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154013375 473659063 /nfs/dbraw/zinc/65/90/63/473659063.db2.gz JWPTUXIFZVSREZ-GOSISDBHSA-N 1 0 342.395 2.701 10 5 EFBERO Cc1c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000154022837 473660517 /nfs/dbraw/zinc/66/05/17/473660517.db2.gz ZOJGFGKTQFOFTO-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186520791 473685335 /nfs/dbraw/zinc/68/53/35/473685335.db2.gz UBDSXTVPANYRAO-OLZOCXBDSA-N 1 0 349.456 2.818 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186520828 473685571 /nfs/dbraw/zinc/68/55/71/473685571.db2.gz UBDSXTVPANYRAO-CHWSQXEVSA-N 1 0 349.456 2.818 10 5 EFBERO C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331487 473782559 /nfs/dbraw/zinc/78/25/59/473782559.db2.gz CEPRSKKFGPBIQE-HNNXBMFYSA-N 1 0 334.347 2.606 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000180097777 473796922 /nfs/dbraw/zinc/79/69/22/473796922.db2.gz GJFJDJRYQUCOMM-IRXDYDNUSA-N 1 0 343.358 2.909 10 5 EFBERO Cc1c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000269703975 473867902 /nfs/dbraw/zinc/86/79/02/473867902.db2.gz MRBUELXGGHEJAL-MQVJKMGUSA-N 1 0 331.416 2.577 10 5 EFBERO COc1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000173606382 473888581 /nfs/dbraw/zinc/88/85/81/473888581.db2.gz QVTNHMJUGZYQHJ-UHFFFAOYSA-N 1 0 346.387 2.585 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000288459983 473949777 /nfs/dbraw/zinc/94/97/77/473949777.db2.gz DTSBGIVNJUDVRW-GOEBONIOSA-N 1 0 334.759 2.832 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000264359693 473962604 /nfs/dbraw/zinc/96/26/04/473962604.db2.gz RVHVPSMTRQXFCW-CYBMUJFWSA-N 1 0 329.356 2.871 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246905655 474000309 /nfs/dbraw/zinc/00/03/09/474000309.db2.gz HVQLIONIBKLLMG-YPMHNXCESA-N 1 0 337.807 2.947 10 5 EFBERO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000195122035 474008947 /nfs/dbraw/zinc/00/89/47/474008947.db2.gz FGXAMXNMVGWJJA-LLVKDONJSA-N 1 0 331.397 2.896 10 5 EFBERO Cc1cc(N2CCC[C@@H]2C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270272379 474054253 /nfs/dbraw/zinc/05/42/53/474054253.db2.gz WSHUZWJDLCXIRO-MRXNPFEDSA-N 1 0 341.415 2.891 10 5 EFBERO Cn1cc(-c2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)on2)cn1 ZINC000282422306 474060093 /nfs/dbraw/zinc/06/00/93/474060093.db2.gz JNGSWRUDPXDISH-UHFFFAOYSA-N 1 0 341.371 2.658 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779412 474096231 /nfs/dbraw/zinc/09/62/31/474096231.db2.gz QNEKLPRETOXPBT-RHSMWYFYSA-N 1 0 348.447 2.504 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000288964464 474105437 /nfs/dbraw/zinc/10/54/37/474105437.db2.gz UBCXBHTWYIUNNW-CABCVRRESA-N 1 0 329.404 2.977 10 5 EFBERO CCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000198358695 474110891 /nfs/dbraw/zinc/11/08/91/474110891.db2.gz XGOOYAJGVBTWRP-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)CC1 ZINC000174876660 474111465 /nfs/dbraw/zinc/11/14/65/474111465.db2.gz PKAVUGKHCNZGFK-VMBOVVBDSA-N 1 0 336.436 2.851 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174884561 474112961 /nfs/dbraw/zinc/11/29/61/474112961.db2.gz NVFAKEDLWBSHKP-LPHOPBHVSA-N 1 0 346.475 2.758 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247336147 474122655 /nfs/dbraw/zinc/12/26/55/474122655.db2.gz JAQVMDFJLWNPFI-GXTWGEPZSA-N 1 0 335.404 2.548 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247380281 474133244 /nfs/dbraw/zinc/13/32/44/474133244.db2.gz LJSJGMJRNGKEHU-DZGCQCFKSA-N 1 0 349.431 2.796 10 5 EFBERO Cc1cccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000275374993 474162929 /nfs/dbraw/zinc/16/29/29/474162929.db2.gz ADXPJVOIGFADCP-MRXNPFEDSA-N 1 0 332.448 2.510 10 5 EFBERO COc1cccc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390817 474168840 /nfs/dbraw/zinc/16/88/40/474168840.db2.gz CJKXADUMXSUDBO-DZGCQCFKSA-N 1 0 337.445 2.619 10 5 EFBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188705987 474172327 /nfs/dbraw/zinc/17/23/27/474172327.db2.gz KQCFLEXVXQTUCD-UHFFFAOYSA-N 1 0 331.759 2.781 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275467863 474197304 /nfs/dbraw/zinc/19/73/04/474197304.db2.gz HNFYVIXKGACVHA-CABCVRRESA-N 1 0 328.416 2.965 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CSC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282906548 474237469 /nfs/dbraw/zinc/23/74/69/474237469.db2.gz UQROPJROJIAZAM-CQSZACIVSA-N 1 0 332.429 2.979 10 5 EFBERO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000265578294 474259387 /nfs/dbraw/zinc/25/93/87/474259387.db2.gz WDBXMFRCHBLJII-GHMZBOCLSA-N 1 0 328.800 2.554 10 5 EFBERO Cc1cc(N2CCC[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235839089 474269681 /nfs/dbraw/zinc/26/96/81/474269681.db2.gz ARIKVTUGOJPGGT-SNVBAGLBSA-N 1 0 328.210 2.841 10 5 EFBERO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+](C)C ZINC000175823426 474318017 /nfs/dbraw/zinc/31/80/17/474318017.db2.gz MCSIBDYFSXCGFD-NSHDSACASA-N 1 0 332.404 2.782 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000183076042 474320907 /nfs/dbraw/zinc/32/09/07/474320907.db2.gz SPHHVGXABSVVJT-BUUHPPLQSA-N 1 0 329.400 2.740 10 5 EFBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175855380 474326490 /nfs/dbraw/zinc/32/64/90/474326490.db2.gz KTUKBUMPFXZPJM-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275842707 474336863 /nfs/dbraw/zinc/33/68/63/474336863.db2.gz HEJDSYBVCZHPFM-STQMWFEESA-N 1 0 337.807 2.913 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000183245219 474358569 /nfs/dbraw/zinc/35/85/69/474358569.db2.gz YNYVPNNRDSFHQV-UHFFFAOYSA-N 1 0 327.384 2.781 10 5 EFBERO C[C@H]1C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651805 474363722 /nfs/dbraw/zinc/36/37/22/474363722.db2.gz YJIYKRYMMTUYCH-WRWORJQWSA-N 1 0 332.141 2.697 10 5 EFBERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248599915 474373239 /nfs/dbraw/zinc/37/32/39/474373239.db2.gz USIROKGOBDTJSC-CHWSQXEVSA-N 1 0 337.395 2.828 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248614765 474377233 /nfs/dbraw/zinc/37/72/33/474377233.db2.gz IBWXLRUOFQEHLF-KGLIPLIRSA-N 1 0 337.395 2.801 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000271175024 474422726 /nfs/dbraw/zinc/42/27/26/474422726.db2.gz UUVJXBDQKKKZNQ-STQMWFEESA-N 1 0 337.445 2.676 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184334089 474501662 /nfs/dbraw/zinc/50/16/62/474501662.db2.gz ILCGXBIGOGJFMM-GZBFAFLISA-N 1 0 349.406 2.923 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699071 474519065 /nfs/dbraw/zinc/51/90/65/474519065.db2.gz XYGVWBQBZAUJCF-IAGOWNOFSA-N 1 0 344.415 2.702 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238021837 474523561 /nfs/dbraw/zinc/52/35/61/474523561.db2.gz GSPGRYNMNPKOQD-SZMVWBNQSA-N 1 0 345.443 2.954 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033802 474554595 /nfs/dbraw/zinc/55/45/95/474554595.db2.gz JLWUKNBIHUUPQP-BDJLRTHQSA-N 1 0 331.372 2.570 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249593130 474597477 /nfs/dbraw/zinc/59/74/77/474597477.db2.gz VZGLXQHAYMBTLY-FZKQIMNGSA-N 1 0 349.431 2.715 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249593128 474597690 /nfs/dbraw/zinc/59/76/90/474597690.db2.gz VZGLXQHAYMBTLY-ACJLOTCBSA-N 1 0 349.431 2.715 10 5 EFBERO Cc1sc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249734068 474608859 /nfs/dbraw/zinc/60/88/59/474608859.db2.gz CVZMWEPEOKKGOU-GHMZBOCLSA-N 1 0 325.434 2.815 10 5 EFBERO C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000291625068 474634841 /nfs/dbraw/zinc/63/48/41/474634841.db2.gz HFTLQSAPBVTYGP-WBMJQRKESA-N 1 0 343.383 2.722 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000251940401 474652655 /nfs/dbraw/zinc/65/26/55/474652655.db2.gz UPZSDNMONMSYFL-WBMJQRKESA-N 1 0 335.404 2.589 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518025 474677239 /nfs/dbraw/zinc/67/72/39/474677239.db2.gz SBKFKNWTQBNZNO-HOCLYGCPSA-N 1 0 343.431 2.956 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000344389179 474711280 /nfs/dbraw/zinc/71/12/80/474711280.db2.gz JAQYISDQHPXRFH-OAHLLOKOSA-N 1 0 349.431 2.663 10 5 EFBERO C[NH+]1CCC([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000278604875 474732111 /nfs/dbraw/zinc/73/21/11/474732111.db2.gz ZRKBEQRQBTVHIH-CYBMUJFWSA-N 1 0 329.404 2.639 10 5 EFBERO COC(=O)c1cc(NC[C@H](c2ccco2)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000267992249 474742151 /nfs/dbraw/zinc/74/21/51/474742151.db2.gz QXZSZNCMQIHWHH-CQSZACIVSA-N 1 0 347.371 2.998 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278659423 474761481 /nfs/dbraw/zinc/76/14/81/474761481.db2.gz HRQZSHWLDXIZJA-WCQYABFASA-N 1 0 348.321 2.609 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000255073481 474798751 /nfs/dbraw/zinc/79/87/51/474798751.db2.gz HOKCJENTJKRIPC-QZDDGCDVSA-N 1 0 327.388 2.612 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278731450 474800213 /nfs/dbraw/zinc/80/02/13/474800213.db2.gz SOMKGBRJIHNCPR-HUUCEWRRSA-N 1 0 333.432 2.841 10 5 EFBERO COc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305864945 474800854 /nfs/dbraw/zinc/80/08/54/474800854.db2.gz ZHKZYRDMRMMKKF-GOSISDBHSA-N 1 0 328.368 2.527 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284880943 474811357 /nfs/dbraw/zinc/81/13/57/474811357.db2.gz NHWDVBGNCOGCJJ-XJKSGUPXSA-N 1 0 344.419 2.527 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000285170726 474914270 /nfs/dbraw/zinc/91/42/70/474914270.db2.gz UWXZGLUNFBBXDP-UONOGXRCSA-N 1 0 345.321 2.523 10 5 EFBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000320758758 474916710 /nfs/dbraw/zinc/91/67/10/474916710.db2.gz BGQRADKUCKCHLB-HTQZYQBOSA-N 1 0 349.172 2.737 10 5 EFBERO C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1C ZINC000293305102 474917897 /nfs/dbraw/zinc/91/78/97/474917897.db2.gz FCSHJOPFFQWQGW-GHMZBOCLSA-N 1 0 346.412 2.997 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000273474141 474918096 /nfs/dbraw/zinc/91/80/96/474918096.db2.gz PAZUTYSOGSPSIG-NHYWBVRUSA-N 1 0 338.383 2.928 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056094 474923897 /nfs/dbraw/zinc/92/38/97/474923897.db2.gz IHCRABVGFXFBIT-GJZGRUSLSA-N 1 0 348.447 2.776 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000341058402 474927003 /nfs/dbraw/zinc/92/70/03/474927003.db2.gz ULQKPXOAKMMSLH-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000341063778 474932571 /nfs/dbraw/zinc/93/25/71/474932571.db2.gz FCYVOLINCFTIII-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293376023 474952703 /nfs/dbraw/zinc/95/27/03/474952703.db2.gz VRLLOJMXLSNYJY-JKSUJKDBSA-N 1 0 339.823 2.543 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083689 474954367 /nfs/dbraw/zinc/95/43/67/474954367.db2.gz BSZUZNSVYJXNKV-GASCZTMLSA-N 1 0 348.447 2.699 10 5 EFBERO Cc1nc(NCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000268435928 474977944 /nfs/dbraw/zinc/97/79/44/474977944.db2.gz CBPAOSVNPWCDLU-UHFFFAOYSA-N 1 0 330.388 2.851 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328303870 475027712 /nfs/dbraw/zinc/02/77/12/475027712.db2.gz CIPSQHGMSKDJRL-ZDUSSCGKSA-N 1 0 325.368 2.681 10 5 EFBERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337486250 475060447 /nfs/dbraw/zinc/06/04/47/475060447.db2.gz SPTAJIQXICDNPW-KCXAZCMYSA-N 1 0 338.429 2.537 10 5 EFBERO CC[C@@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000339242237 475073212 /nfs/dbraw/zinc/07/32/12/475073212.db2.gz SOAYCTKGSKPCAC-QGZVFWFLSA-N 1 0 342.399 2.933 10 5 EFBERO CS[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000273941690 475128568 /nfs/dbraw/zinc/12/85/68/475128568.db2.gz DEEFOPXRXISDGP-IAGOWNOFSA-N 1 0 335.473 2.649 10 5 EFBERO COc1ccc(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609346808 480151073 /nfs/dbraw/zinc/15/10/73/480151073.db2.gz PMHPPEVQBPDFTC-OKILXGFUSA-N 1 0 349.431 2.525 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000339395710 475193386 /nfs/dbraw/zinc/19/33/86/475193386.db2.gz PIISNMNTNUACRG-JKSUJKDBSA-N 1 0 339.823 2.543 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000262206798 475198938 /nfs/dbraw/zinc/19/89/38/475198938.db2.gz LDYMRWVJHZUKKP-KRWDZBQOSA-N 1 0 345.374 2.889 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000347332567 475240085 /nfs/dbraw/zinc/24/00/85/475240085.db2.gz HEVGJUAEALSOQG-GOSISDBHSA-N 1 0 340.383 2.978 10 5 EFBERO CNc1c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361212377 475274165 /nfs/dbraw/zinc/27/41/65/475274165.db2.gz MVYHPZMTRJQSKD-STQMWFEESA-N 1 0 334.420 2.629 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357954875 475289755 /nfs/dbraw/zinc/28/97/55/475289755.db2.gz HYBUPJGHCLQDRA-AAEUAGOBSA-N 1 0 343.387 2.544 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000339600730 475337300 /nfs/dbraw/zinc/33/73/00/475337300.db2.gz YZKVPPDEPJSXHZ-OSPSXTLGSA-N 1 0 342.399 2.813 10 5 EFBERO CNC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352543484 475396966 /nfs/dbraw/zinc/39/69/66/475396966.db2.gz FRXWMJAIOWOBFS-UHFFFAOYSA-N 1 0 327.384 2.629 10 5 EFBERO COc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545648 475398872 /nfs/dbraw/zinc/39/88/72/475398872.db2.gz KXNTUDWWCKJAJH-INIZCTEOSA-N 1 0 333.432 2.911 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000358190166 475474320 /nfs/dbraw/zinc/47/43/20/475474320.db2.gz NNYWFLIBJKBBMH-AWEZNQCLSA-N 1 0 332.404 2.607 10 5 EFBERO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358226150 475507682 /nfs/dbraw/zinc/50/76/82/475507682.db2.gz CUXSHSKMEIXSHS-INIZCTEOSA-N 1 0 330.388 2.809 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000342054115 475535910 /nfs/dbraw/zinc/53/59/10/475535910.db2.gz XROLLVYVAZZZNA-HNNXBMFYSA-N 1 0 349.431 2.859 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000342054116 475536288 /nfs/dbraw/zinc/53/62/88/475536288.db2.gz XROLLVYVAZZZNA-OAHLLOKOSA-N 1 0 349.431 2.859 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000338041571 475537181 /nfs/dbraw/zinc/53/71/81/475537181.db2.gz GDSYZEGACVMGLE-QGZVFWFLSA-N 1 0 341.411 2.806 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000338045918 475540919 /nfs/dbraw/zinc/54/09/19/475540919.db2.gz GEJPASBZKLCOHQ-KCQAQPDRSA-N 1 0 333.432 2.999 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296990557 475565625 /nfs/dbraw/zinc/56/56/25/475565625.db2.gz HTIGVXIPWVQVIM-UHFFFAOYSA-N 1 0 346.431 2.753 10 5 EFBERO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000297019327 475577975 /nfs/dbraw/zinc/57/79/75/475577975.db2.gz LHHBTVSWLFUFNV-UCMJJCQDSA-N 1 0 346.431 2.970 10 5 EFBERO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000352782311 475619308 /nfs/dbraw/zinc/61/93/08/475619308.db2.gz CVHSJZQNHGDNQR-UHFFFAOYSA-N 1 0 349.431 2.922 10 5 EFBERO O=C1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000352781598 475619972 /nfs/dbraw/zinc/61/99/72/475619972.db2.gz DRFSHHHXNYHIIH-MAUKXSAKSA-N 1 0 325.368 2.552 10 5 EFBERO O=C1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000352781597 475620387 /nfs/dbraw/zinc/62/03/87/475620387.db2.gz DRFSHHHXNYHIIH-CRAIPNDOSA-N 1 0 325.368 2.552 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297154315 475632342 /nfs/dbraw/zinc/63/23/42/475632342.db2.gz VPKFFCFVEOLBAY-BDHPRHBFSA-N 1 0 329.400 2.740 10 5 EFBERO COC[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000358439905 475680261 /nfs/dbraw/zinc/68/02/61/475680261.db2.gz YKPNTASZUUUFHY-ROUUACIJSA-N 1 0 330.384 2.935 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000355128562 475686067 /nfs/dbraw/zinc/68/60/67/475686067.db2.gz CNZDIPSFDVJJGZ-JSGCOSHPSA-N 1 0 336.388 2.613 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000355128565 475686266 /nfs/dbraw/zinc/68/62/66/475686266.db2.gz CNZDIPSFDVJJGZ-TZMCWYRMSA-N 1 0 336.388 2.613 10 5 EFBERO Cc1cc(NCC[C@@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000358521516 475742444 /nfs/dbraw/zinc/74/24/44/475742444.db2.gz PGWWQNIVUGUPEJ-CYBMUJFWSA-N 1 0 329.278 2.599 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457546 475764417 /nfs/dbraw/zinc/76/44/17/475764417.db2.gz CCBXPMSVNNMFJX-XEZPLFJOSA-N 1 0 334.420 2.780 10 5 EFBERO CC[NH+](CC)[C@H](CNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000340158532 475810959 /nfs/dbraw/zinc/81/09/59/475810959.db2.gz VDJMPKPPMJQUMB-INIZCTEOSA-N 1 0 328.416 2.777 10 5 EFBERO CC[NH+](CC)[C@@H](CNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000340158533 475811061 /nfs/dbraw/zinc/81/10/61/475811061.db2.gz VDJMPKPPMJQUMB-MRXNPFEDSA-N 1 0 328.416 2.777 10 5 EFBERO CCCC[N@H+](C)CC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000340258244 475895371 /nfs/dbraw/zinc/89/53/71/475895371.db2.gz LLFVZCAXVZEJIK-UHFFFAOYSA-N 1 0 346.435 2.586 10 5 EFBERO C[N@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000338455528 475921682 /nfs/dbraw/zinc/92/16/82/475921682.db2.gz GDLMFEBICQEUSB-UHFFFAOYSA-N 1 0 348.447 2.701 10 5 EFBERO CS[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000362016402 475939193 /nfs/dbraw/zinc/93/91/93/475939193.db2.gz PKXUPCJFGFNJIL-STQMWFEESA-N 1 0 327.475 2.668 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347017494 476037870 /nfs/dbraw/zinc/03/78/70/476037870.db2.gz OXNAELRBVNAQRE-IUODEOHRSA-N 1 0 349.456 2.771 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340510262 476075699 /nfs/dbraw/zinc/07/56/99/476075699.db2.gz VHAGFTBLCKJCOW-YDHLFZDLSA-N 1 0 346.431 2.776 10 5 EFBERO CC1CC[NH+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301914336 476181604 /nfs/dbraw/zinc/18/16/04/476181604.db2.gz ICZYVDYYLZGNIT-UHFFFAOYSA-N 1 0 332.408 2.562 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000347220544 476181952 /nfs/dbraw/zinc/18/19/52/476181952.db2.gz QWGDPDOQPWDWAZ-UHFFFAOYSA-N 1 0 337.295 2.968 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362447011 476257169 /nfs/dbraw/zinc/25/71/69/476257169.db2.gz JVEBWDFQAHYREY-YOEHRIQHSA-N 1 0 347.415 2.733 10 5 EFBERO CO[C@H](C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000360003448 476281432 /nfs/dbraw/zinc/28/14/32/476281432.db2.gz IZBPMBRNDJDYQK-GFCCVEGCSA-N 1 0 334.376 2.890 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCCC1 ZINC000357289106 476317889 /nfs/dbraw/zinc/31/78/89/476317889.db2.gz KCMUKSCWGZRMHY-UHFFFAOYSA-N 1 0 325.796 2.772 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1-n1ccnc1 ZINC000351056737 476327799 /nfs/dbraw/zinc/32/77/99/476327799.db2.gz XOVQDOGXTGRMJR-GFCCVEGCSA-N 1 0 341.327 2.552 10 5 EFBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000357325136 476332000 /nfs/dbraw/zinc/33/20/00/476332000.db2.gz TVCOFRZELAIKCW-UHFFFAOYSA-N 1 0 345.346 2.721 10 5 EFBERO CCC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353984436 476347333 /nfs/dbraw/zinc/34/73/33/476347333.db2.gz YTWGOLWUPJSJTB-SWLSCSKDSA-N 1 0 340.445 2.991 10 5 EFBERO Cc1c([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000353994968 476350892 /nfs/dbraw/zinc/35/08/92/476350892.db2.gz FETIWEWXXLMTTJ-NWDGAFQWSA-N 1 0 326.418 2.520 10 5 EFBERO Cc1c([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000353994970 476351422 /nfs/dbraw/zinc/35/14/22/476351422.db2.gz FETIWEWXXLMTTJ-VXGBXAGGSA-N 1 0 326.418 2.520 10 5 EFBERO CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360900641 476465000 /nfs/dbraw/zinc/46/50/00/476465000.db2.gz NSLRPOFROQQILV-GFCCVEGCSA-N 1 0 345.403 2.852 10 5 EFBERO CC1(C2CC2)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000352193281 476540314 /nfs/dbraw/zinc/54/03/14/476540314.db2.gz ZOTFHEWQTYGRCB-UHFFFAOYSA-N 1 0 343.427 2.996 10 5 EFBERO Nc1ccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)cc1[N+](=O)[O-] ZINC000374839368 476550492 /nfs/dbraw/zinc/55/04/92/476550492.db2.gz VUUZBKKMHHJFON-UHFFFAOYSA-N 1 0 338.367 2.907 10 5 EFBERO Cc1c(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000354288557 476562475 /nfs/dbraw/zinc/56/24/75/476562475.db2.gz YFXIHTDGEMSASB-UHFFFAOYSA-N 1 0 346.431 2.719 10 5 EFBERO CO[C@@H](C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000354370247 476617305 /nfs/dbraw/zinc/61/73/05/476617305.db2.gz ZQAFTWZAUNTKON-LBPRGKRZSA-N 1 0 334.376 2.890 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374987968 476623504 /nfs/dbraw/zinc/62/35/04/476623504.db2.gz MTLBQSNSWKBTSE-QXAKKESOSA-N 1 0 342.395 2.996 10 5 EFBERO COc1cccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000370001131 476625066 /nfs/dbraw/zinc/62/50/66/476625066.db2.gz GUDUYWZCZHAAMW-UHFFFAOYSA-N 1 0 328.372 2.589 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354438031 476661790 /nfs/dbraw/zinc/66/17/90/476661790.db2.gz UKLXGFXENBHLNR-DZGCQCFKSA-N 1 0 349.431 2.938 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354438033 476662066 /nfs/dbraw/zinc/66/20/66/476662066.db2.gz UKLXGFXENBHLNR-HIFRSBDPSA-N 1 0 349.431 2.938 10 5 EFBERO CO[C@@H](C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000354454996 476672197 /nfs/dbraw/zinc/67/21/97/476672197.db2.gz NVMQMQBJFMTWCW-AWEZNQCLSA-N 1 0 337.420 2.977 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451901848 476711686 /nfs/dbraw/zinc/71/16/86/476711686.db2.gz NKXDVAMAMVNLBH-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452096279 476821051 /nfs/dbraw/zinc/82/10/51/476821051.db2.gz YBKOCKIWUYBLFQ-KGLIPLIRSA-N 1 0 335.404 2.670 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446070546 476821195 /nfs/dbraw/zinc/82/11/95/476821195.db2.gz HKKUIKXMLXEOHZ-YUTCNCBUSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452105097 476827029 /nfs/dbraw/zinc/82/70/29/476827029.db2.gz OVPYYHDDVNRUEI-CQSZACIVSA-N 1 0 335.404 2.672 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C)CC1 ZINC000446095524 476827835 /nfs/dbraw/zinc/82/78/35/476827835.db2.gz NTNVLWYXHXSJGL-UHFFFAOYSA-N 1 0 325.796 2.628 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366127247 476873699 /nfs/dbraw/zinc/87/36/99/476873699.db2.gz PAZRNAQHVBFFJN-CABCVRRESA-N 1 0 346.431 2.716 10 5 EFBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415434768 476926300 /nfs/dbraw/zinc/92/63/00/476926300.db2.gz HYIUDSONOSPLNC-KWQFWETISA-N 1 0 346.309 2.733 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000370730649 476956168 /nfs/dbraw/zinc/95/61/68/476956168.db2.gz PSHKWWCQQBGWBO-JTQLQIEISA-N 1 0 338.314 2.566 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](N)c1ccccc1 ZINC000423237002 476971901 /nfs/dbraw/zinc/97/19/01/476971901.db2.gz HTRIOZXQOHPGCU-GUYCJALGSA-N 1 0 342.399 2.602 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588480 477018409 /nfs/dbraw/zinc/01/84/09/477018409.db2.gz VBABQASRETYUDD-AQMVCYDESA-N 1 0 329.400 2.571 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000447685772 477036879 /nfs/dbraw/zinc/03/68/79/477036879.db2.gz NOJDGRRFOBWMAL-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423485808 477044312 /nfs/dbraw/zinc/04/43/12/477044312.db2.gz RWWFJUXQHKNTQW-UKRRQHHQSA-N 1 0 325.359 2.503 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000375900185 477070924 /nfs/dbraw/zinc/07/09/24/477070924.db2.gz GNOWFGATXHFLRI-ZFWWWQNUSA-N 1 0 347.415 2.692 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)n1 ZINC000375917397 477082130 /nfs/dbraw/zinc/08/21/30/477082130.db2.gz GELMHZXBPYRWPH-UHFFFAOYSA-N 1 0 342.359 2.612 10 5 EFBERO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000375920751 477084638 /nfs/dbraw/zinc/08/46/38/477084638.db2.gz OKLXYNKHHAEVNU-UHFFFAOYSA-N 1 0 345.378 2.625 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000366627649 477103831 /nfs/dbraw/zinc/10/38/31/477103831.db2.gz FTIULVJRYFIDQV-KBPBESRZSA-N 1 0 349.456 2.921 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423935465 477224925 /nfs/dbraw/zinc/22/49/25/477224925.db2.gz AFIIFJKYKQNKES-BXUZGUMPSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423965318 477236127 /nfs/dbraw/zinc/23/61/27/477236127.db2.gz GAIGJOWEHHKYPP-WFASDCNBSA-N 1 0 343.383 2.945 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423973089 477239445 /nfs/dbraw/zinc/23/94/45/477239445.db2.gz MMMFPIUOEVOYAW-NHYWBVRUSA-N 1 0 337.807 2.852 10 5 EFBERO CSc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423972359 477239514 /nfs/dbraw/zinc/23/95/14/477239514.db2.gz ZLLROSODIQDOAE-KGLIPLIRSA-N 1 0 349.456 2.921 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423981284 477244500 /nfs/dbraw/zinc/24/45/00/477244500.db2.gz SVTPDKSKVBYIBH-ZFWWWQNUSA-N 1 0 347.415 2.516 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423987484 477247145 /nfs/dbraw/zinc/24/71/45/477247145.db2.gz YTUBHEASJVQEDC-RDJZCZTQSA-N 1 0 331.416 2.518 10 5 EFBERO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1C[NH+](C)C ZINC000458325933 477352539 /nfs/dbraw/zinc/35/25/39/477352539.db2.gz UPPPIQKNZSDCJB-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000371528342 477373066 /nfs/dbraw/zinc/37/30/66/477373066.db2.gz LCHOWKGOEIPVOA-CVEARBPZSA-N 1 0 343.358 2.562 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413276024 477603917 /nfs/dbraw/zinc/60/39/17/477603917.db2.gz VTUMMSDQLZGDDR-CQSZACIVSA-N 1 0 332.404 2.648 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450502854 477609309 /nfs/dbraw/zinc/60/93/09/477609309.db2.gz QUKOUVNVRSJBKP-ZDUSSCGKSA-N 1 0 332.404 2.648 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450502853 477609375 /nfs/dbraw/zinc/60/93/75/477609375.db2.gz QUKOUVNVRSJBKP-CYBMUJFWSA-N 1 0 332.404 2.648 10 5 EFBERO Cc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420176668 477630725 /nfs/dbraw/zinc/63/07/25/477630725.db2.gz AHOFGZIDARYZJV-UHFFFAOYSA-N 1 0 327.388 2.535 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458886789 477642763 /nfs/dbraw/zinc/64/27/63/477642763.db2.gz IRFLRLNSIJAGLS-LRDDRELGSA-N 1 0 332.404 2.534 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000413502286 477702775 /nfs/dbraw/zinc/70/27/75/477702775.db2.gz MYWWQYYVEAAKPZ-RNJTYBCJSA-N 1 0 345.443 2.887 10 5 EFBERO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000427977925 477797509 /nfs/dbraw/zinc/79/75/09/477797509.db2.gz ADJLMTRCURMNFH-MRXNPFEDSA-N 1 0 325.372 2.608 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438478869 477846584 /nfs/dbraw/zinc/84/65/84/477846584.db2.gz AGGWFJKFJAFNNM-OLZOCXBDSA-N 1 0 335.404 2.908 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420991231 477883604 /nfs/dbraw/zinc/88/36/04/477883604.db2.gz IGFANDNJNOHVRN-HNNXBMFYSA-N 1 0 347.415 2.611 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438932138 477906476 /nfs/dbraw/zinc/90/64/76/477906476.db2.gz BEUIDOWBEDELNP-CHWSQXEVSA-N 1 0 337.807 2.913 10 5 EFBERO Cn1cc(C[NH2+]CCOC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558937657 477944601 /nfs/dbraw/zinc/94/46/01/477944601.db2.gz KYNVRGNRKSTVQC-UHFFFAOYSA-N 1 0 332.404 2.900 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451340613 477962797 /nfs/dbraw/zinc/96/27/97/477962797.db2.gz JXSVHHITHROLSI-RCCFBDPRSA-N 1 0 334.416 2.989 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451344127 477965635 /nfs/dbraw/zinc/96/56/35/477965635.db2.gz PETXMVBOGHUZNN-INMHGKMJSA-N 1 0 334.416 2.989 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516655533 477968005 /nfs/dbraw/zinc/96/80/05/477968005.db2.gz FFRGALGSYHGCGZ-ZENOOKHLSA-N 1 0 337.420 2.699 10 5 EFBERO Cn1cc(C[NH+]2CC3(C2)CCCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459611084 478008836 /nfs/dbraw/zinc/00/88/36/478008836.db2.gz UGYGZVKUTAHOCZ-UHFFFAOYSA-N 1 0 342.399 2.608 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@](O)(CO)C2)s1 ZINC000459727801 478061707 /nfs/dbraw/zinc/06/17/07/478061707.db2.gz REFQRTZWBKOMNX-QGZVFWFLSA-N 1 0 348.424 2.643 10 5 EFBERO CNc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517396882 478091087 /nfs/dbraw/zinc/09/10/87/478091087.db2.gz PKCRVYMAIWUSFF-BETUJISGSA-N 1 0 334.420 2.629 10 5 EFBERO COc1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000440466671 478119577 /nfs/dbraw/zinc/11/95/77/478119577.db2.gz GDQPRTGWPHKOES-IBGZPJMESA-N 1 0 342.395 2.917 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000518448023 478168514 /nfs/dbraw/zinc/16/85/14/478168514.db2.gz KIYGNJYUKDQIRU-UHFFFAOYSA-N 1 0 337.420 2.541 10 5 EFBERO COC(=O)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000562305271 478230377 /nfs/dbraw/zinc/23/03/77/478230377.db2.gz KMQWGSOOONBTKQ-GFCCVEGCSA-N 1 0 333.388 2.586 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097801 478281602 /nfs/dbraw/zinc/28/16/02/478281602.db2.gz LETYMMJAJRFCBN-ZWNOBZJWSA-N 1 0 343.811 2.573 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229869 478300747 /nfs/dbraw/zinc/30/07/47/478300747.db2.gz WIAHCBFZIZZZPE-HNNXBMFYSA-N 1 0 347.415 2.740 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600471478 478382868 /nfs/dbraw/zinc/38/28/68/478382868.db2.gz KYXRECPHBKYPNQ-KRWDZBQOSA-N 1 0 331.416 2.661 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531735 478398462 /nfs/dbraw/zinc/39/84/62/478398462.db2.gz DTUCXULNDQOCEP-VXGBXAGGSA-N 1 0 325.796 2.769 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000594520795 478424324 /nfs/dbraw/zinc/42/43/24/478424324.db2.gz BUKUBDBCFBDFDB-ZDUSSCGKSA-N 1 0 336.388 2.890 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000594571835 478444950 /nfs/dbraw/zinc/44/49/50/478444950.db2.gz ACEMHYLGFNZFME-ZFWWWQNUSA-N 1 0 337.445 2.619 10 5 EFBERO [NH3+]C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000594583293 478448881 /nfs/dbraw/zinc/44/88/81/478448881.db2.gz JIYGQSQUJHLQOG-ZDUSSCGKSA-N 1 0 329.278 2.834 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000594591200 478452539 /nfs/dbraw/zinc/45/25/39/478452539.db2.gz HHECISVZVAWLOV-DTORHVGOSA-N 1 0 329.198 2.504 10 5 EFBERO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000597665900 478454293 /nfs/dbraw/zinc/45/42/93/478454293.db2.gz HKBCVXWEGVCPNJ-CYBMUJFWSA-N 1 0 349.406 2.782 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000597665949 478454871 /nfs/dbraw/zinc/45/48/71/478454871.db2.gz HVNAXPIXKZPQAU-UHFFFAOYSA-N 1 0 331.416 2.770 10 5 EFBERO O=c1[nH]c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597586 478457691 /nfs/dbraw/zinc/45/76/91/478457691.db2.gz DATVULJVPDKVSQ-HUUCEWRRSA-N 1 0 343.387 2.672 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3C3(O)CC3)n2)c1 ZINC000581929493 478467775 /nfs/dbraw/zinc/46/77/75/478467775.db2.gz FTZULAOORBCKNS-CQSZACIVSA-N 1 0 344.371 2.524 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000594693778 478499706 /nfs/dbraw/zinc/49/97/06/478499706.db2.gz UJXBTCQKVIFEJW-GFCCVEGCSA-N 1 0 347.444 2.816 10 5 EFBERO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491344431 478517051 /nfs/dbraw/zinc/51/70/51/478517051.db2.gz AGAWLVVPYDGSDN-UHFFFAOYSA-N 1 0 337.383 2.567 10 5 EFBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000600791017 478523960 /nfs/dbraw/zinc/52/39/60/478523960.db2.gz CWQSNVJGIBDMFZ-HNNXBMFYSA-N 1 0 326.396 2.949 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597856859 478541887 /nfs/dbraw/zinc/54/18/87/478541887.db2.gz BNBBYVIZPRNYQG-CYBMUJFWSA-N 1 0 339.823 2.780 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597858847 478544662 /nfs/dbraw/zinc/54/46/62/478544662.db2.gz POLUEHBKRZHTHW-GFCCVEGCSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597861291 478548732 /nfs/dbraw/zinc/54/87/32/478548732.db2.gz SHVURVWNFDESLU-CQSZACIVSA-N 1 0 349.431 2.985 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925542 478579237 /nfs/dbraw/zinc/57/92/37/478579237.db2.gz WVCLXAHLCBPMOR-NSHDSACASA-N 1 0 330.388 2.679 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000571382095 478581663 /nfs/dbraw/zinc/58/16/63/478581663.db2.gz HNZVQZKSFDYQOS-ZQIUZPCESA-N 1 0 333.432 2.887 10 5 EFBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594945285 478598439 /nfs/dbraw/zinc/59/84/39/478598439.db2.gz XUZQJXATOUXEFM-JIMOISOXSA-N 1 0 326.780 2.578 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000594954078 478602912 /nfs/dbraw/zinc/60/29/12/478602912.db2.gz XJMXVESGWRGSRU-RDTXWAMCSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn(C4CCC4)nn3)c2c1 ZINC000594954695 478603232 /nfs/dbraw/zinc/60/32/32/478603232.db2.gz LQLVTCMIODSOJV-UHFFFAOYSA-N 1 0 340.387 2.725 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc4n3CCC4)c2c1 ZINC000594954698 478603396 /nfs/dbraw/zinc/60/33/96/478603396.db2.gz LROHYQLGFIGWER-UHFFFAOYSA-N 1 0 325.372 2.551 10 5 EFBERO COC[C@@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000594956724 478604575 /nfs/dbraw/zinc/60/45/75/478604575.db2.gz ZMYBGCLYGGUDPO-MRXNPFEDSA-N 1 0 334.372 2.996 10 5 EFBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997675 478604725 /nfs/dbraw/zinc/60/47/25/478604725.db2.gz AVPKPUYDZVKGOR-DLBZAZTESA-N 1 0 343.427 2.760 10 5 EFBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997680 478605025 /nfs/dbraw/zinc/60/50/25/478605025.db2.gz AVPKPUYDZVKGOR-SJORKVTESA-N 1 0 343.427 2.760 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594967553 478610178 /nfs/dbraw/zinc/61/01/78/478610178.db2.gz VGHLKYSPGRIHND-WTCAJVMKSA-N 1 0 334.416 2.764 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000594971159 478613153 /nfs/dbraw/zinc/61/31/53/478613153.db2.gz XARYFNSSLHLHFG-LLVKDONJSA-N 1 0 338.257 2.710 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000594974708 478613810 /nfs/dbraw/zinc/61/38/10/478613810.db2.gz GEJBCHXVUBSDDJ-SOUVJXGZSA-N 1 0 348.399 2.672 10 5 EFBERO C[C@]1(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594976402 478614768 /nfs/dbraw/zinc/61/47/68/478614768.db2.gz DBIMVZBYZFPJQQ-AWEZNQCLSA-N 1 0 328.315 2.891 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000594988290 478618940 /nfs/dbraw/zinc/61/89/40/478618940.db2.gz PABNZZJUQKQBCN-CHWSQXEVSA-N 1 0 328.315 2.589 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CCC(O)CC2)c1 ZINC000594992447 478620177 /nfs/dbraw/zinc/62/01/77/478620177.db2.gz RQDWRMMLTOZXMH-UHFFFAOYSA-N 1 0 330.331 2.837 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000594992955 478621253 /nfs/dbraw/zinc/62/12/53/478621253.db2.gz MEEXOKABUHWDGP-UHFFFAOYSA-N 1 0 348.399 2.815 10 5 EFBERO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601030964 478621642 /nfs/dbraw/zinc/62/16/42/478621642.db2.gz AZUYMFKYZLBWCR-KRWDZBQOSA-N 1 0 343.427 2.713 10 5 EFBERO C[NH+]1CCC(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601028872 478621684 /nfs/dbraw/zinc/62/16/84/478621684.db2.gz WZRZEIPYCUPAFO-UHFFFAOYSA-N 1 0 345.443 2.865 10 5 EFBERO CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000598039453 478626926 /nfs/dbraw/zinc/62/69/26/478626926.db2.gz KDILLHOATUVEST-OCCSQVGLSA-N 1 0 337.395 2.780 10 5 EFBERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000595011657 478627879 /nfs/dbraw/zinc/62/78/79/478627879.db2.gz KLRQURDBKHOURS-OAHLLOKOSA-N 1 0 338.404 2.525 10 5 EFBERO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041269 478628311 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XFWXVLUPGAPGQC-RMHZUWNSSA-N 1 0 334.416 2.738 10 5 EFBERO Cc1ccncc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595074350 478652954 /nfs/dbraw/zinc/65/29/54/478652954.db2.gz QUCHEGPCXKJCGF-CQSZACIVSA-N 1 0 342.399 2.848 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000595079281 478653685 /nfs/dbraw/zinc/65/36/85/478653685.db2.gz JNKFFKLWNFEUGV-IOASZLSFSA-N 1 0 335.404 2.859 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000601104599 478658016 /nfs/dbraw/zinc/65/80/16/478658016.db2.gz ZRKWYYBHCKPMDJ-UHFFFAOYSA-N 1 0 335.330 2.635 10 5 EFBERO C[NH+](C)CCOc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601106186 478660029 /nfs/dbraw/zinc/66/00/29/478660029.db2.gz VALUZJCVTSOYBB-UHFFFAOYSA-N 1 0 334.351 2.681 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595109983 478663550 /nfs/dbraw/zinc/66/35/50/478663550.db2.gz YCECLZXEKNESSN-GOEBONIOSA-N 1 0 344.415 2.822 10 5 EFBERO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)(C)C[NH+](C)C ZINC000601118572 478666914 /nfs/dbraw/zinc/66/69/14/478666914.db2.gz FGMPMMCNLRQZES-MRVPVSSYSA-N 1 0 337.346 2.735 10 5 EFBERO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591893384 478679161 /nfs/dbraw/zinc/67/91/61/478679161.db2.gz ABDIYEVGROABOV-WMLDXEAASA-N 1 0 345.443 2.863 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601148361 478688321 /nfs/dbraw/zinc/68/83/21/478688321.db2.gz AEBQZOSCZVOMIH-CXAGYDPISA-N 1 0 334.372 2.569 10 5 EFBERO CCOc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601150365 478690736 /nfs/dbraw/zinc/69/07/36/478690736.db2.gz WHCISQLIRPRPRH-GOSISDBHSA-N 1 0 330.384 2.991 10 5 EFBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601152904 478691412 /nfs/dbraw/zinc/69/14/12/478691412.db2.gz ISEFVQMFZMGTQK-QGZVFWFLSA-N 1 0 336.338 2.956 10 5 EFBERO Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595219934 478691842 /nfs/dbraw/zinc/69/18/42/478691842.db2.gz CLNOVWGGELXOSX-IAGOWNOFSA-N 1 0 339.395 2.860 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224410 478692665 /nfs/dbraw/zinc/69/26/65/478692665.db2.gz GENGDRMXLJWWPT-GDBMZVCRSA-N 1 0 346.431 2.631 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595225248 478692882 /nfs/dbraw/zinc/69/28/82/478692882.db2.gz LBIGKDTZYVRUMV-PBHICJAKSA-N 1 0 331.416 2.898 10 5 EFBERO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595232324 478695668 /nfs/dbraw/zinc/69/56/68/478695668.db2.gz WSRJRDVDRSRHNY-UHFFFAOYSA-N 1 0 345.197 2.558 10 5 EFBERO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1csc([N+](=O)[O-])c1 ZINC000595259235 478705612 /nfs/dbraw/zinc/70/56/12/478705612.db2.gz ZNXMTWDIPBDSRB-CYBMUJFWSA-N 1 0 333.369 2.570 10 5 EFBERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000595259213 478706074 /nfs/dbraw/zinc/70/60/74/478706074.db2.gz YXSIXCIQVMFQKC-LBPRGKRZSA-N 1 0 333.369 2.570 10 5 EFBERO Cc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595259186 478706193 /nfs/dbraw/zinc/70/61/93/478706193.db2.gz YPXRFRHHANDLGN-KRWDZBQOSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000595267578 478706767 /nfs/dbraw/zinc/70/67/67/478706767.db2.gz FQHBUVCMZVDCRH-ZIAGYGMSSA-N 1 0 345.424 2.840 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000542971297 478711029 /nfs/dbraw/zinc/71/10/29/478711029.db2.gz VQEIECSPCCSVLS-CYBMUJFWSA-N 1 0 335.404 2.771 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000542971298 478711879 /nfs/dbraw/zinc/71/18/79/478711879.db2.gz VQEIECSPCCSVLS-ZDUSSCGKSA-N 1 0 335.404 2.771 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000542970460 478712092 /nfs/dbraw/zinc/71/20/92/478712092.db2.gz IQCQTTUZVATZHE-CQSZACIVSA-N 1 0 347.415 2.550 10 5 EFBERO CC(C)C[N@H+](C)CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601185452 478712346 /nfs/dbraw/zinc/71/23/46/478712346.db2.gz UXFHBRUHJWVEGI-UHFFFAOYSA-N 1 0 337.346 2.737 10 5 EFBERO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000601217222 478729059 /nfs/dbraw/zinc/72/90/59/478729059.db2.gz DWAIOVGBNADDCB-UHFFFAOYSA-N 1 0 335.452 2.964 10 5 EFBERO Cc1sc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598260307 478730710 /nfs/dbraw/zinc/73/07/10/478730710.db2.gz AGEQCZHRQOLVFD-LLVKDONJSA-N 1 0 325.434 2.815 10 5 EFBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000591985129 478734039 /nfs/dbraw/zinc/73/40/39/478734039.db2.gz FKULDCOHGJIISJ-CVEARBPZSA-N 1 0 343.431 2.877 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595376594 478754333 /nfs/dbraw/zinc/75/43/33/478754333.db2.gz KMWKGKBZOLYSFM-OIISXLGYSA-N 1 0 343.427 2.789 10 5 EFBERO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000572142498 478764284 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342.395 2.858 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC000592131064 478788500 /nfs/dbraw/zinc/78/85/00/478788500.db2.gz SONHMLQFHHDHCW-DJIMGWMZSA-N 1 0 334.416 2.737 10 5 EFBERO C[C@H](O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132880 478789931 /nfs/dbraw/zinc/78/99/31/478789931.db2.gz PBJJXFOSPAERBY-XIRDDKMYSA-N 1 0 336.432 2.861 10 5 EFBERO CC(C)[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132744 478790137 /nfs/dbraw/zinc/79/01/37/478790137.db2.gz NNFYRVGJYGQQDU-JFIYKMOQSA-N 1 0 336.432 2.717 10 5 EFBERO COC(=O)c1cccc2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000592159600 478805681 /nfs/dbraw/zinc/80/56/81/478805681.db2.gz SZLDAPNPKIQIMM-UHFFFAOYSA-N 1 0 340.379 2.982 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000601382899 478812736 /nfs/dbraw/zinc/81/27/36/478812736.db2.gz IUQOBQRWJNJZGT-RHSMWYFYSA-N 1 0 343.358 2.909 10 5 EFBERO 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/nfs/dbraw/zinc/87/25/92/478872592.db2.gz IXMXXYTWGAWWID-WAFIBAPDSA-N 1 0 334.416 2.765 10 5 EFBERO Cn1cnc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000592373217 478872619 /nfs/dbraw/zinc/87/26/19/478872619.db2.gz GGVIGSLUBSCLNE-UHFFFAOYSA-N 1 0 341.371 2.706 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601554926 478876854 /nfs/dbraw/zinc/87/68/54/478876854.db2.gz BHWAQQLMVMWSHM-XEZPLFJOSA-N 1 0 349.456 2.676 10 5 EFBERO Cn1cnc(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000592393435 478882198 /nfs/dbraw/zinc/88/21/98/478882198.db2.gz IIFRAYUETWMSTR-MRXNPFEDSA-N 1 0 329.404 2.713 10 5 EFBERO Cn1cnc(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000592394103 478882702 /nfs/dbraw/zinc/88/27/02/478882702.db2.gz MMPCUDCVISEKMB-OAHLLOKOSA-N 1 0 329.404 2.668 10 5 EFBERO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@]1(O)CCOC1 ZINC000592397524 478884063 /nfs/dbraw/zinc/88/40/63/478884063.db2.gz MYRKHUDTEOQIMK-QFBILLFUSA-N 1 0 348.443 2.683 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000601582260 478889725 /nfs/dbraw/zinc/88/97/25/478889725.db2.gz ONCKRVQHNPFUPH-UHFFFAOYSA-N 1 0 348.447 2.653 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)N2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627437 478899445 /nfs/dbraw/zinc/89/94/45/478899445.db2.gz ZCZMYDYJKKBTMQ-FZKQIMNGSA-N 1 0 347.415 2.731 10 5 EFBERO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595638250 478906059 /nfs/dbraw/zinc/90/60/59/478906059.db2.gz DSBFNNYKUQDFRA-JTQLQIEISA-N 1 0 337.376 2.676 10 5 EFBERO C[N@@H+]1CCC[C@@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601633054 478917630 /nfs/dbraw/zinc/91/76/30/478917630.db2.gz OJKPRMRVKSMWNL-HNNXBMFYSA-N 1 0 345.443 2.865 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595665554 478923045 /nfs/dbraw/zinc/92/30/45/478923045.db2.gz VSHQIZHHSZLNFX-HNNXBMFYSA-N 1 0 348.447 2.652 10 5 EFBERO C[C@@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595681330 478931862 /nfs/dbraw/zinc/93/18/62/478931862.db2.gz KNDLALOJUFLAIE-CYBMUJFWSA-N 1 0 333.388 2.567 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000592528689 478934830 /nfs/dbraw/zinc/93/48/30/478934830.db2.gz ARUIRYBDTOZKAC-CYBMUJFWSA-N 1 0 348.399 2.915 10 5 EFBERO Cc1sc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592567553 478942628 /nfs/dbraw/zinc/94/26/28/478942628.db2.gz RDAUXZADIFLKPM-CQSZACIVSA-N 1 0 331.397 2.663 10 5 EFBERO CC1=CCN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865954 478964023 /nfs/dbraw/zinc/96/40/23/478964023.db2.gz PNBVWDJBTCMWLL-HNNXBMFYSA-N 1 0 346.431 2.554 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CC1(F)F ZINC000598678421 478966722 /nfs/dbraw/zinc/96/67/22/478966722.db2.gz XVCCBQIJVSYVHN-QWRGUYRKSA-N 1 0 327.331 2.947 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000601738095 478977995 /nfs/dbraw/zinc/97/79/95/478977995.db2.gz IVMRGAWNLBHWAN-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601739079 478978121 /nfs/dbraw/zinc/97/81/21/478978121.db2.gz LMKZQTUUAIUXNE-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768736 478985574 /nfs/dbraw/zinc/98/55/74/478985574.db2.gz GRYMZOWWVPERQX-BBRMVZONSA-N 1 0 332.379 2.968 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595779893 478991939 /nfs/dbraw/zinc/99/19/39/478991939.db2.gz GSCFIEZALMOBEX-QWHCGFSZSA-N 1 0 341.205 2.750 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823784 479017056 /nfs/dbraw/zinc/01/70/56/479017056.db2.gz QYEOHHVYDLKTEF-ZFWWWQNUSA-N 1 0 334.420 2.652 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595832075 479022282 /nfs/dbraw/zinc/02/22/82/479022282.db2.gz HJVQPYGEVWCUGG-JKSUJKDBSA-N 1 0 334.416 2.847 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000546459021 479025967 /nfs/dbraw/zinc/02/59/67/479025967.db2.gz XBOVZMFBGBDYBD-UHFFFAOYSA-N 1 0 345.334 2.851 10 5 EFBERO CC1=CCN(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573755 479035227 /nfs/dbraw/zinc/03/52/27/479035227.db2.gz ALCGMUOKBBFHDB-OAHLLOKOSA-N 1 0 346.431 2.554 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595872775 479042028 /nfs/dbraw/zinc/04/20/28/479042028.db2.gz GIFGDUHFJDIWTQ-UHFFFAOYSA-N 1 0 347.419 2.855 10 5 EFBERO C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000573402756 479058179 /nfs/dbraw/zinc/05/81/79/479058179.db2.gz OOGQJDFUXZTWRQ-JSGCOSHPSA-N 1 0 328.416 2.833 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595905586 479063148 /nfs/dbraw/zinc/06/31/48/479063148.db2.gz VXWZABXIIOHCGX-HDICACEKSA-N 1 0 332.400 2.866 10 5 EFBERO Cc1c(CC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595936043 479078650 /nfs/dbraw/zinc/07/86/50/479078650.db2.gz MJYGPZTWJIBUPQ-QGZVFWFLSA-N 1 0 345.443 2.684 10 5 EFBERO Cc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000595935752 479078659 /nfs/dbraw/zinc/07/86/59/479078659.db2.gz USQJXHRCZCDFKH-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595952362 479082462 /nfs/dbraw/zinc/08/24/62/479082462.db2.gz ZWCVMQJPJJFNFY-LLVKDONJSA-N 1 0 333.310 2.717 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000598917028 479084668 /nfs/dbraw/zinc/08/46/68/479084668.db2.gz PLNYFIJCKSMYOT-RISCZKNCSA-N 1 0 336.367 2.730 10 5 EFBERO C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592880219 479087193 /nfs/dbraw/zinc/08/71/93/479087193.db2.gz FFIVPZVKTGKINB-WBVHZDCISA-N 1 0 339.395 2.670 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595987282 479089040 /nfs/dbraw/zinc/08/90/40/479089040.db2.gz LHMKSSWQHNRAJO-ZYHUDNBSSA-N 1 0 343.811 2.505 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000601964903 479100358 /nfs/dbraw/zinc/10/03/58/479100358.db2.gz RUPNSHIHZFOINT-OAHLLOKOSA-N 1 0 348.424 2.571 10 5 EFBERO CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601975294 479105241 /nfs/dbraw/zinc/10/52/41/479105241.db2.gz MXVKJOUXXHQIPF-CQSZACIVSA-N 1 0 333.432 2.767 10 5 EFBERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971949 479107343 /nfs/dbraw/zinc/10/73/43/479107343.db2.gz JREVHGJBXUCKJW-SUMWQHHRSA-N 1 0 346.431 2.972 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596058811 479112915 /nfs/dbraw/zinc/11/29/15/479112915.db2.gz JQBVNIPEHIOWES-UHFFFAOYSA-N 1 0 327.768 2.543 10 5 EFBERO COc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000598985131 479115119 /nfs/dbraw/zinc/11/51/19/479115119.db2.gz JCAVSBBCLATRBX-GOSISDBHSA-N 1 0 344.367 2.923 10 5 EFBERO COc1cc(C[NH2+][C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1O ZINC000598988124 479116202 /nfs/dbraw/zinc/11/62/02/479116202.db2.gz WTHOCDZVNOXJNV-CYBMUJFWSA-N 1 0 344.367 2.711 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000515087270 479119112 /nfs/dbraw/zinc/11/91/12/479119112.db2.gz GVDBNZBNKDGZJK-SJORKVTESA-N 1 0 346.408 2.514 10 5 EFBERO CC1(C)[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596067283 479119141 /nfs/dbraw/zinc/11/91/41/479119141.db2.gz YUTJMRHYFAUFOP-GFCCVEGCSA-N 1 0 327.331 2.804 10 5 EFBERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000599004979 479122948 /nfs/dbraw/zinc/12/29/48/479122948.db2.gz XUICPPVYFPAQGJ-OAHLLOKOSA-N 1 0 347.440 2.744 10 5 EFBERO C[NH+](C)CCN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596076700 479123227 /nfs/dbraw/zinc/12/32/27/479123227.db2.gz NYIHGIMBUVFOCT-UHFFFAOYSA-N 1 0 342.390 2.970 10 5 EFBERO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000593021892 479128001 /nfs/dbraw/zinc/12/80/01/479128001.db2.gz QUNNQBHNQTXZNL-HNNXBMFYSA-N 1 0 336.388 2.676 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1 ZINC000593029557 479133201 /nfs/dbraw/zinc/13/32/01/479133201.db2.gz BYHZANAGRQMBBB-VQISRLSMSA-N 1 0 336.388 2.531 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000593030029 479133481 /nfs/dbraw/zinc/13/34/81/479133481.db2.gz HVERUNFCONXGAQ-DJIMGWMZSA-N 1 0 348.399 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000593030032 479133674 /nfs/dbraw/zinc/13/36/74/479133674.db2.gz HVERUNFCONXGAQ-USXIJHARSA-N 1 0 348.399 2.507 10 5 EFBERO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032243 479134834 /nfs/dbraw/zinc/13/48/34/479134834.db2.gz OSSAQVFDYSXNJZ-GDBMZVCRSA-N 1 0 336.388 2.819 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC12CCCC2 ZINC000593039912 479139015 /nfs/dbraw/zinc/13/90/15/479139015.db2.gz UUQANVJIXZLHDW-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593051009 479143384 /nfs/dbraw/zinc/14/33/84/479143384.db2.gz KNSSANZVQOPJMT-DOMZBBRYSA-N 1 0 337.420 2.619 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599071174 479149278 /nfs/dbraw/zinc/14/92/78/479149278.db2.gz PITFIFJFFWOIMU-CQSZACIVSA-N 1 0 332.404 2.648 10 5 EFBERO C[NH+](C)Cc1cc(CNc2c(Cl)cncc2[N+](=O)[O-])ccc1F ZINC000596127793 479153220 /nfs/dbraw/zinc/15/32/20/479153220.db2.gz AVTRXEZWPVIBTH-UHFFFAOYSA-N 1 0 338.770 2.878 10 5 EFBERO CN1CCOC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082673 479153457 /nfs/dbraw/zinc/15/34/57/479153457.db2.gz XWZNJBRQKXJTHN-OALUTQOASA-N 1 0 341.411 2.604 10 5 EFBERO Cn1ccnc1[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084653 479155761 /nfs/dbraw/zinc/15/57/61/479155761.db2.gz DQSPVPUNIYWTTQ-DJIMGWMZSA-N 1 0 342.399 2.575 10 5 EFBERO COCC(C)(C)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599089376 479156316 /nfs/dbraw/zinc/15/63/16/479156316.db2.gz INHACIYDOWCBGR-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146823 479163950 /nfs/dbraw/zinc/16/39/50/479163950.db2.gz QGJPAEBHWFQGSH-ZJUUUORDSA-N 1 0 341.795 2.929 10 5 EFBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593090649 479167413 /nfs/dbraw/zinc/16/74/13/479167413.db2.gz BTPOTQOJBXHAPA-ZDUSSCGKSA-N 1 0 333.388 2.567 10 5 EFBERO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128314 479172437 /nfs/dbraw/zinc/17/24/37/479172437.db2.gz WKECZLONORQWFL-ZDUSSCGKSA-N 1 0 332.404 2.513 10 5 EFBERO COc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180532 479184077 /nfs/dbraw/zinc/18/40/77/479184077.db2.gz UXGJHGYMEJVGQR-JSGCOSHPSA-N 1 0 345.852 2.739 10 5 EFBERO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000599160275 479186768 /nfs/dbraw/zinc/18/67/68/479186768.db2.gz KZEQIQGYAMXIOC-UHFFFAOYSA-N 1 0 325.434 2.656 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596201851 479196717 /nfs/dbraw/zinc/19/67/17/479196717.db2.gz JLNPLBXTEGLMDL-ONGXEEELSA-N 1 0 341.795 2.929 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602172159 479216374 /nfs/dbraw/zinc/21/63/74/479216374.db2.gz NSKYDPGRWZKIFZ-XUWVNRHRSA-N 1 0 331.416 2.543 10 5 EFBERO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000596238969 479217188 /nfs/dbraw/zinc/21/71/88/479217188.db2.gz UVLUELYSEBBVRK-UHFFFAOYSA-N 1 0 344.337 2.931 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593188850 479229938 /nfs/dbraw/zinc/22/99/38/479229938.db2.gz CYXYWDNJDXPAAN-UPJWGTAASA-N 1 0 344.415 2.558 10 5 EFBERO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309837 479247540 /nfs/dbraw/zinc/24/75/40/479247540.db2.gz XYKYBFJPQAEZNX-CYBMUJFWSA-N 1 0 335.404 2.595 10 5 EFBERO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309516 479248425 /nfs/dbraw/zinc/24/84/25/479248425.db2.gz STEQLLSRDXZVCO-CQSZACIVSA-N 1 0 349.431 2.985 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000603146237 479273988 /nfs/dbraw/zinc/27/39/88/479273988.db2.gz SBGAUJIZIHMORK-UWWPHRKUSA-N 1 0 331.416 2.639 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000596422569 479289134 /nfs/dbraw/zinc/28/91/34/479289134.db2.gz FGWQOKJLWOGFFC-CQSZACIVSA-N 1 0 333.413 2.835 10 5 EFBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324227 479295998 /nfs/dbraw/zinc/29/59/98/479295998.db2.gz ZEJIEGNPGVATSY-HZSPNIEDSA-N 1 0 325.434 2.517 10 5 EFBERO O=C(CC[NH+]1CC2(C1)CC(F)(F)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000611179301 479303813 /nfs/dbraw/zinc/30/38/13/479303813.db2.gz AIWTUUVYERXGKE-UHFFFAOYSA-N 1 0 325.315 2.655 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000585717005 479315636 /nfs/dbraw/zinc/31/56/36/479315636.db2.gz SQMMAJGOJAUPRW-WBVHZDCISA-N 1 0 333.432 2.843 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]21 ZINC000585781971 479325046 /nfs/dbraw/zinc/32/50/46/479325046.db2.gz GYPISXYTXYITOH-HZPDHXFCSA-N 1 0 349.431 2.681 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000596565320 479341938 /nfs/dbraw/zinc/34/19/38/479341938.db2.gz FUEPRMWARZRRGA-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000596566608 479342788 /nfs/dbraw/zinc/34/27/88/479342788.db2.gz IQQVNVLBCZTZBH-ZDUSSCGKSA-N 1 0 327.812 2.795 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000596566605 479342800 /nfs/dbraw/zinc/34/28/00/479342800.db2.gz IQQVNVLBCZTZBH-CYBMUJFWSA-N 1 0 327.812 2.795 10 5 EFBERO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467386 479353847 /nfs/dbraw/zinc/35/38/47/479353847.db2.gz LRSHINLRBBSCNO-CQSZACIVSA-N 1 0 343.431 2.581 10 5 EFBERO CC[NH+](CC)CCN(CCOC)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469930 479356581 /nfs/dbraw/zinc/35/65/81/479356581.db2.gz XAJLFCDQIRZWRY-UHFFFAOYSA-N 1 0 346.431 2.938 10 5 EFBERO C[N@@H+]1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000593473830 479357541 /nfs/dbraw/zinc/35/75/41/479357541.db2.gz FTIQZVNATGCPDH-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599625397 479357857 /nfs/dbraw/zinc/35/78/57/479357857.db2.gz JRXCEMZELMOCEZ-LKQDWFRTSA-N 1 0 335.404 2.633 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625797 479358447 /nfs/dbraw/zinc/35/84/47/479358447.db2.gz PMLDDOGLNGKJAY-XREXNNHRSA-N 1 0 335.404 2.633 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625563 479358755 /nfs/dbraw/zinc/35/87/55/479358755.db2.gz NBWCXADTJOELBZ-ZVXAKGHKSA-N 1 0 332.360 2.546 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599625795 479358891 /nfs/dbraw/zinc/35/88/91/479358891.db2.gz PMLDDOGLNGKJAY-LKQDWFRTSA-N 1 0 335.404 2.633 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000596623949 479362592 /nfs/dbraw/zinc/36/25/92/479362592.db2.gz AOZXWFBKBRBDCX-UHFFFAOYSA-N 1 0 338.408 2.845 10 5 EFBERO COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599644490 479366048 /nfs/dbraw/zinc/36/60/48/479366048.db2.gz BFXZBXOGQLSCKH-RBSFLKMASA-N 1 0 336.363 2.898 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCC[C@@H]21 ZINC000599651466 479369710 /nfs/dbraw/zinc/36/97/10/479369710.db2.gz BTZSVEFYIFFBPZ-KFWWJZLASA-N 1 0 348.399 2.767 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCC[C@H]21 ZINC000599651469 479370027 /nfs/dbraw/zinc/37/00/27/479370027.db2.gz BTZSVEFYIFFBPZ-ZNMIVQPWSA-N 1 0 348.399 2.767 10 5 EFBERO CC1CC[NH+](CCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587253063 479370899 /nfs/dbraw/zinc/37/08/99/479370899.db2.gz AYERSQSLEPVUHH-UHFFFAOYSA-N 1 0 336.436 2.593 10 5 EFBERO CC[NH+](CC)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000587520985 479372648 /nfs/dbraw/zinc/37/26/48/479372648.db2.gz ZWMZIOIYRDYLCD-OAHLLOKOSA-N 1 0 348.403 2.757 10 5 EFBERO COC(=O)C1C[C@@H](C)[NH+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599687650 479391388 /nfs/dbraw/zinc/39/13/88/479391388.db2.gz FIIRCHJHCJQVMX-CHWSQXEVSA-N 1 0 336.388 2.636 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501905 479397425 /nfs/dbraw/zinc/39/74/25/479397425.db2.gz KJKWSRVIVARUIF-YPMHNXCESA-N 1 0 339.367 2.612 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501376 479397783 /nfs/dbraw/zinc/39/77/83/479397783.db2.gz BEPKEJFCLDHYFZ-WCQYABFASA-N 1 0 339.367 2.612 10 5 EFBERO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615312 479403508 /nfs/dbraw/zinc/40/35/08/479403508.db2.gz MUHYYGLCIYOTQN-HOTGVXAUSA-N 1 0 340.445 2.927 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593652889 479413150 /nfs/dbraw/zinc/41/31/50/479413150.db2.gz OJABFLDKNLKPJV-LJQANCHMSA-N 1 0 326.396 2.869 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000575178785 479415834 /nfs/dbraw/zinc/41/58/34/479415834.db2.gz LDMXXCMSPVUUMV-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599769852 479419419 /nfs/dbraw/zinc/41/94/19/479419419.db2.gz BYXOUTGRVSPHML-AWEZNQCLSA-N 1 0 348.403 2.742 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599780271 479422972 /nfs/dbraw/zinc/42/29/72/479422972.db2.gz NBVANYZPNCRFKM-AWEZNQCLSA-N 1 0 348.403 2.742 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611579769 479423396 /nfs/dbraw/zinc/42/33/96/479423396.db2.gz WDZMCHJQZGEJDF-CYBMUJFWSA-N 1 0 343.330 2.627 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000611616310 479430173 /nfs/dbraw/zinc/43/01/73/479430173.db2.gz VQCMJCSWPRHMTH-UHFFFAOYSA-N 1 0 334.420 2.664 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000593716915 479432989 /nfs/dbraw/zinc/43/29/89/479432989.db2.gz LSPUILGABAAMPN-HLLBOEOZSA-N 1 0 325.368 2.538 10 5 EFBERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829528 479442405 /nfs/dbraw/zinc/44/24/05/479442405.db2.gz HCUUDAKHZUKWJF-LBPRGKRZSA-N 1 0 345.403 2.995 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@@H+]1C ZINC000599832239 479443148 /nfs/dbraw/zinc/44/31/48/479443148.db2.gz TYGBZTVHQACPKJ-NEPJUHHUSA-N 1 0 343.387 2.747 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831337 479443714 /nfs/dbraw/zinc/44/37/14/479443714.db2.gz RBEYFAASONIWTG-GFCCVEGCSA-N 1 0 345.403 2.995 10 5 EFBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833739 479444907 /nfs/dbraw/zinc/44/49/07/479444907.db2.gz XVRLOPIZQQZOEY-VXGBXAGGSA-N 1 0 343.387 2.699 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CC[N@H+](C)C1 ZINC000599834351 479445749 /nfs/dbraw/zinc/44/57/49/479445749.db2.gz HRXIPJNKLRCKNM-LBPRGKRZSA-N 1 0 343.387 2.701 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834685 479445782 /nfs/dbraw/zinc/44/57/82/479445782.db2.gz MNKGSQPAGRGUIY-TXEJJXNPSA-N 1 0 343.387 2.605 10 5 EFBERO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837421 479446907 /nfs/dbraw/zinc/44/69/07/479446907.db2.gz DIHHAFXYAWILJC-LBPRGKRZSA-N 1 0 343.387 2.701 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000593755191 479448989 /nfs/dbraw/zinc/44/89/89/479448989.db2.gz HQBABFYGWMSULY-UHFFFAOYSA-N 1 0 332.404 2.784 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839707 479449470 /nfs/dbraw/zinc/44/94/70/479449470.db2.gz PFLBLOLRPIOYCW-GFCCVEGCSA-N 1 0 343.387 2.701 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000596843321 479450827 /nfs/dbraw/zinc/45/08/27/479450827.db2.gz KCHKWSAKOMOYDZ-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611706641 479451572 /nfs/dbraw/zinc/45/15/72/479451572.db2.gz KUMMCZVXRVLCPF-LRDDRELGSA-N 1 0 329.404 2.705 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000611706644 479451692 /nfs/dbraw/zinc/45/16/92/479451692.db2.gz KUMMCZVXRVLCPF-WBMJQRKESA-N 1 0 329.404 2.705 10 5 EFBERO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599928261 479472738 /nfs/dbraw/zinc/47/27/38/479472738.db2.gz FONSJWIHFHYPBY-INIZCTEOSA-N 1 0 344.415 2.553 10 5 EFBERO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599928356 479474279 /nfs/dbraw/zinc/47/42/79/479474279.db2.gz HUVDGUZLDCYQAE-INIZCTEOSA-N 1 0 344.415 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CC(F)(F)C3)CC2)cn1 ZINC000602686164 479475364 /nfs/dbraw/zinc/47/53/64/479475364.db2.gz AXIQNJLLWMVALH-UHFFFAOYSA-N 1 0 340.374 2.984 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599941231 479476148 /nfs/dbraw/zinc/47/61/48/479476148.db2.gz SUIFRBMTBGJLPN-DZGCQCFKSA-N 1 0 334.420 2.655 10 5 EFBERO Nc1nccc([C@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000589178369 479491832 /nfs/dbraw/zinc/49/18/32/479491832.db2.gz XJKKPNNUIXAKHQ-BYPUDFOVSA-N 1 0 339.399 2.690 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000589243697 479504892 /nfs/dbraw/zinc/50/48/92/479504892.db2.gz JKPFOJZNAPUOOZ-GFCCVEGCSA-N 1 0 343.383 2.943 10 5 EFBERO CSc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000593911096 479506135 /nfs/dbraw/zinc/50/61/35/479506135.db2.gz TVKHRYZOTJCDRR-UHFFFAOYSA-N 1 0 335.429 2.660 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000589502013 479533205 /nfs/dbraw/zinc/53/32/05/479533205.db2.gz AMEMMHYEJXFITL-UHFFFAOYSA-N 1 0 348.399 2.774 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502203 479533977 /nfs/dbraw/zinc/53/39/77/479533977.db2.gz OOIRZGHVAFAALA-CJNGLKHVSA-N 1 0 349.431 2.686 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000589501895 479534051 /nfs/dbraw/zinc/53/40/51/479534051.db2.gz JRBOVQIOZYVMNS-GOSISDBHSA-N 1 0 348.399 2.774 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000589510503 479535188 /nfs/dbraw/zinc/53/51/88/479535188.db2.gz GWBQFJDAUDYRTJ-HNNXBMFYSA-N 1 0 348.399 2.630 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000589509530 479535411 /nfs/dbraw/zinc/53/54/11/479535411.db2.gz XODPCMALHXXPPG-INIZCTEOSA-N 1 0 348.399 2.772 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000589517763 479536768 /nfs/dbraw/zinc/53/67/68/479536768.db2.gz KMGRPXOJBCEGIR-HZPDHXFCSA-N 1 0 334.372 2.525 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000589517761 479536792 /nfs/dbraw/zinc/53/67/92/479536792.db2.gz KMGRPXOJBCEGIR-HOTGVXAUSA-N 1 0 334.372 2.525 10 5 EFBERO C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000589598038 479543888 /nfs/dbraw/zinc/54/38/88/479543888.db2.gz CZRQRAMDNJNZDS-PXAZEXFGSA-N 1 0 344.415 2.773 10 5 EFBERO CCOC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000600161483 479553272 /nfs/dbraw/zinc/55/32/72/479553272.db2.gz ZZEWIEDIKUBATK-UHFFFAOYSA-N 1 0 343.383 2.841 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091664 479569222 /nfs/dbraw/zinc/56/92/22/479569222.db2.gz BXXNQDLACYGDOJ-SECBINFHSA-N 1 0 343.815 2.682 10 5 EFBERO COC(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000600188178 479571870 /nfs/dbraw/zinc/57/18/70/479571870.db2.gz WGDKNNHJHFHCJW-UHFFFAOYSA-N 1 0 328.368 2.909 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099984 479572619 /nfs/dbraw/zinc/57/26/19/479572619.db2.gz IIXTVRNCJQODQX-UHFFFAOYSA-N 1 0 343.815 2.684 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000589859039 479576854 /nfs/dbraw/zinc/57/68/54/479576854.db2.gz NTPUTZAJPQZXRN-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO COc1ccc(-c2ccc(C[N@H+](C)CC3CN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597203077 479618610 /nfs/dbraw/zinc/61/86/10/479618610.db2.gz MNDKAMVCUYWNEO-UHFFFAOYSA-N 1 0 345.399 2.857 10 5 EFBERO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000578880806 479626032 /nfs/dbraw/zinc/62/60/32/479626032.db2.gz LEUUGYCUCUSFNL-XJKSGUPXSA-N 1 0 348.399 2.847 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(CO)(CO)C3)s2)cc1 ZINC000597218310 479626252 /nfs/dbraw/zinc/62/62/52/479626252.db2.gz HQUNPNVWLXULGB-UHFFFAOYSA-N 1 0 348.424 2.500 10 5 EFBERO CC(C)NC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597231098 479633481 /nfs/dbraw/zinc/63/34/81/479633481.db2.gz IJIIFDHXXJQTJU-SBSDFTTDSA-N 1 0 331.416 2.845 10 5 EFBERO CO[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000602961506 479653168 /nfs/dbraw/zinc/65/31/68/479653168.db2.gz AWNKDGIIUCLHGL-MSOLQXFVSA-N 1 0 348.374 2.919 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000590547748 479658103 /nfs/dbraw/zinc/65/81/03/479658103.db2.gz AGONFPVBMAFJKQ-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cnn(CC[NH+](C)C)c1 ZINC000615720701 479743471 /nfs/dbraw/zinc/74/34/71/479743471.db2.gz UPSQDLQYMMELHO-NTEUORMPSA-N 1 0 329.404 2.868 10 5 EFBERO CN1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000609598850 480185046 /nfs/dbraw/zinc/18/50/46/480185046.db2.gz ZILCKOREZPBFTE-CYBMUJFWSA-N 1 0 332.429 2.902 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000609833887 480211082 /nfs/dbraw/zinc/21/10/82/480211082.db2.gz ZPQKBODHTUXPLJ-AWEZNQCLSA-N 1 0 335.404 2.598 10 5 EFBERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000131309465 533958146 /nfs/dbraw/zinc/95/81/46/533958146.db2.gz BKGXWUCCYOITJY-LBPRGKRZSA-N 1 0 332.429 2.933 10 5 EFBERO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000261806987 520477485 /nfs/dbraw/zinc/47/74/85/520477485.db2.gz WNGWYFIXZXLLDW-CYBMUJFWSA-N 1 0 329.347 2.755 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177044448 521630830 /nfs/dbraw/zinc/63/08/30/521630830.db2.gz FHWDKQUFPATRLH-CYBMUJFWSA-N 1 0 325.796 2.805 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177418811 521651817 /nfs/dbraw/zinc/65/18/17/521651817.db2.gz MSLJKSSWPHWULD-BBRMVZONSA-N 1 0 334.420 2.782 10 5 EFBERO C[NH2+]CCN(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000078577959 522006875 /nfs/dbraw/zinc/00/68/75/522006875.db2.gz PJIHOPOODINYJC-UHFFFAOYSA-N 1 0 339.193 2.561 10 5 EFBERO CC[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090088408 522563164 /nfs/dbraw/zinc/56/31/64/522563164.db2.gz RQHROQDMCDLQIC-LBPRGKRZSA-N 1 0 333.310 2.656 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000245571205 523317326 /nfs/dbraw/zinc/31/73/26/523317326.db2.gz ZBKQNUCXZUNTRP-GJZGRUSLSA-N 1 0 349.431 2.541 10 5 EFBERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000195520279 523607905 /nfs/dbraw/zinc/60/79/05/523607905.db2.gz BYYKCQNXSZHNIY-ZDUSSCGKSA-N 1 0 345.403 2.594 10 5 EFBERO CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000245407816 523888855 /nfs/dbraw/zinc/88/88/55/523888855.db2.gz CZNLMPIOFVVRMS-HZPDHXFCSA-N 1 0 331.416 2.856 10 5 EFBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177347514 524388168 /nfs/dbraw/zinc/38/81/68/524388168.db2.gz DYWREOYXQAMMST-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccc(F)cc1 ZINC000191759382 534830620 /nfs/dbraw/zinc/83/06/20/534830620.db2.gz OAULUXQGVKERGY-KRWDZBQOSA-N 1 0 343.358 2.625 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192709736 525403778 /nfs/dbraw/zinc/40/37/78/525403778.db2.gz IURQWFPNFASFBS-CYBMUJFWSA-N 1 0 327.388 2.704 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515603 525458421 /nfs/dbraw/zinc/45/84/21/525458421.db2.gz WWGIJSUNFXBINU-AWEZNQCLSA-N 1 0 342.399 2.932 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000183290940 525564456 /nfs/dbraw/zinc/56/44/56/525564456.db2.gz WHZPLKOEFIVSSR-OAHLLOKOSA-N 1 0 333.432 2.588 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132978782 534879025 /nfs/dbraw/zinc/87/90/25/534879025.db2.gz ATVUZMGJHMTLHF-HOTGVXAUSA-N 1 0 337.395 2.914 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195329646 526069892 /nfs/dbraw/zinc/06/98/92/526069892.db2.gz WXBBCAJSIGAKTO-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO CN1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000424186072 536449585 /nfs/dbraw/zinc/44/95/85/536449585.db2.gz HHLVNRQBZVFPMF-CYBMUJFWSA-N 1 0 343.383 2.813 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152364157 527372511 /nfs/dbraw/zinc/37/25/11/527372511.db2.gz LLFHFLIWIPYOGY-QGZVFWFLSA-N 1 0 329.356 2.522 10 5 EFBERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174661232 528140728 /nfs/dbraw/zinc/14/07/28/528140728.db2.gz RTDDTSRMQVXQKR-SUMWQHHRSA-N 1 0 332.404 2.626 10 5 EFBERO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363109 528148999 /nfs/dbraw/zinc/14/89/99/528148999.db2.gz MCLIWDRVEOEQJA-IRXDYDNUSA-N 1 0 334.416 2.655 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160247394 528290834 /nfs/dbraw/zinc/29/08/34/528290834.db2.gz PHHQAQTXCWOQRY-AWEZNQCLSA-N 1 0 346.431 2.711 10 5 EFBERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000190340162 528335867 /nfs/dbraw/zinc/33/58/67/528335867.db2.gz UAKXMVISSQUFCL-UHFFFAOYSA-N 1 0 349.412 2.869 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160247521 528498926 /nfs/dbraw/zinc/49/89/26/528498926.db2.gz PHHQAQTXCWOQRY-CQSZACIVSA-N 1 0 346.431 2.711 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175436014 529054045 /nfs/dbraw/zinc/05/40/45/529054045.db2.gz TZXSAASOFYBCCH-CQSZACIVSA-N 1 0 334.420 2.613 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174533101 529096824 /nfs/dbraw/zinc/09/68/24/529096824.db2.gz NSNNOPZJDWWYQG-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000178670112 529204925 /nfs/dbraw/zinc/20/49/25/529204925.db2.gz OTPOUSJDBRQOCP-BXUZGUMPSA-N 1 0 332.360 2.959 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418580387 535093947 /nfs/dbraw/zinc/09/39/47/535093947.db2.gz SQZRGLMCLTUBJI-CJNGLKHVSA-N 1 0 334.420 2.513 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418598104 535093964 /nfs/dbraw/zinc/09/39/64/535093964.db2.gz QEZQDPRDWIYUGS-BBRMVZONSA-N 1 0 334.420 2.513 10 5 EFBERO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000349958272 535436638 /nfs/dbraw/zinc/43/66/38/535436638.db2.gz AUUZQDRLPCQMPY-GOSISDBHSA-N 1 0 335.448 2.836 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683631572 549925969 /nfs/dbraw/zinc/92/59/69/549925969.db2.gz HZANJPOIZWHMGW-UHFFFAOYSA-N 1 0 337.423 2.705 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000754255470 575411331 /nfs/dbraw/zinc/41/13/31/575411331.db2.gz CBLRPHNZUKWQSA-QAAVPBIRSA-N 1 0 329.400 2.693 10 5 EFBERO CCC[NH+]1CCC(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754882031 575508830 /nfs/dbraw/zinc/50/88/30/575508830.db2.gz HJMLAWHMYICMPF-BUHFOSPRSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000755317753 575573681 /nfs/dbraw/zinc/57/36/81/575573681.db2.gz UBMXWHIEGXQFLI-WYMLVPIESA-N 1 0 331.416 2.798 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291821 576141074 /nfs/dbraw/zinc/14/10/74/576141074.db2.gz KBUAOJGIWCPLOO-LSDHHAIUSA-N 1 0 344.415 2.959 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291815 576141139 /nfs/dbraw/zinc/14/11/39/576141139.db2.gz KBUAOJGIWCPLOO-GJZGRUSLSA-N 1 0 344.415 2.959 10 5 EFBERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844943 577082255 /nfs/dbraw/zinc/08/22/55/577082255.db2.gz LGVAVFHFHMAESP-YVEFUNNKSA-N 1 0 346.383 2.996 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691436607 1248919856 /nfs/dbraw/zinc/91/98/56/1248919856.db2.gz CXZBGFQPYIHPFB-UPCDRJOISA-N 1 0 337.445 2.997 10 5 EFBERO Cc1ccc(F)cc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001690966825 1247900697 /nfs/dbraw/zinc/90/06/97/1247900697.db2.gz VXCIUDNPJPMKKZ-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO O=C(CC1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691087431 1248387918 /nfs/dbraw/zinc/38/79/18/1248387918.db2.gz QGARJOQJPOWZCY-IYBDPMFKSA-N 1 0 331.416 2.769 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001691112205 1248431650 /nfs/dbraw/zinc/43/16/50/1248431650.db2.gz VYKRUCFSQJKAGD-IYBDPMFKSA-N 1 0 343.427 2.936 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(CF)CCC1 ZINC001691114303 1248433511 /nfs/dbraw/zinc/43/35/11/1248433511.db2.gz FFUBSVXUTYEPCS-GASCZTMLSA-N 1 0 349.406 2.719 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001691173770 1248507443 /nfs/dbraw/zinc/50/74/43/1248507443.db2.gz KSLYLKQKHYCBTL-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO O=C(CC(F)(F)F)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001691203697 1248536728 /nfs/dbraw/zinc/53/67/28/1248536728.db2.gz ZYLVNDRBYJEEKI-UHFFFAOYSA-N 1 0 345.321 2.628 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001691251718 1248572251 /nfs/dbraw/zinc/57/22/51/1248572251.db2.gz ISVUIPUQKLSZRE-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850426009 1250481269 /nfs/dbraw/zinc/48/12/69/1250481269.db2.gz RPCAWZDEMNZTQB-LRDDRELGSA-N 1 0 346.383 2.996 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850426007 1250481607 /nfs/dbraw/zinc/48/16/07/1250481607.db2.gz RPCAWZDEMNZTQB-BLLLJJGKSA-N 1 0 346.383 2.996 10 5 EFBERO CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491302 1250505985 /nfs/dbraw/zinc/50/59/85/1250505985.db2.gz OBJYBCIZZMOLAD-IPQOISQHSA-N 1 0 338.351 2.947 10 5 EFBERO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850533454 1250524731 /nfs/dbraw/zinc/52/47/31/1250524731.db2.gz ZBXWQXMCLHRPMB-FZQKWOKYSA-N 1 0 327.331 2.642 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C ZINC000850571880 1250542240 /nfs/dbraw/zinc/54/22/40/1250542240.db2.gz DINPGQJCWIZVFA-ZDUSSCGKSA-N 1 0 329.404 2.648 10 5 EFBERO Cc1c[nH]cc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001484768152 1252970767 /nfs/dbraw/zinc/97/07/67/1252970767.db2.gz HBZYGVIMNITYRI-UHFFFAOYSA-N 1 0 344.415 2.825 10 5 EFBERO Cn1ccc(-c2nc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cs2)n1 ZINC000921686903 1260886905 /nfs/dbraw/zinc/88/69/05/1260886905.db2.gz SBPTWBMDEBNXCD-UHFFFAOYSA-N 1 0 343.412 2.784 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922594952 1266415979 /nfs/dbraw/zinc/41/59/79/1266415979.db2.gz PDNLFSOHZRAEGL-UHFFFAOYSA-N 1 0 334.416 2.623 10 5 EFBERO [NH3+]CCN(Cc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923427931 1261635436 /nfs/dbraw/zinc/63/54/36/1261635436.db2.gz MJMHGMNBZCDQEF-QGZVFWFLSA-N 1 0 349.818 2.743 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)o1 ZINC001273041124 1266578444 /nfs/dbraw/zinc/57/84/44/1266578444.db2.gz YQSKLLLQKQHHIV-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000824655703 1278221939 /nfs/dbraw/zinc/22/19/39/1278221939.db2.gz ZASKKDIEARTERB-XFJVYGCCSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000922723781 1266680208 /nfs/dbraw/zinc/68/02/08/1266680208.db2.gz CYOBWUSKFMPAQG-DFHBCGBQSA-N 1 0 344.367 2.748 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739907 1266691600 /nfs/dbraw/zinc/69/16/00/1266691600.db2.gz WYMCGSPKBQFPQO-MDWZMJQESA-N 1 0 340.445 2.659 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922754580 1266737366 /nfs/dbraw/zinc/73/73/66/1266737366.db2.gz YZPLFDBWLCBIRB-AWEZNQCLSA-N 1 0 349.353 2.966 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738515833 1268468287 /nfs/dbraw/zinc/46/82/87/1268468287.db2.gz AQWWJXGKRYAPSP-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128610466 1268948637 /nfs/dbraw/zinc/94/86/37/1268948637.db2.gz BSKIGOMZHTUZKW-GFCCVEGCSA-N 1 0 344.415 2.790 10 5 EFBERO Cc1ccccc1[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000741776539 1269690801 /nfs/dbraw/zinc/69/08/01/1269690801.db2.gz LTJLWSHHFNDZAS-IBGZPJMESA-N 1 0 341.411 2.759 10 5 EFBERO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000746045919 1271739353 /nfs/dbraw/zinc/73/93/53/1271739353.db2.gz QRWGPJPDOPELTE-YVEFUNNKSA-N 1 0 346.383 2.996 10 5 EFBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608612 1276224239 /nfs/dbraw/zinc/22/42/39/1276224239.db2.gz GWKTUMHCYJNFKY-WDEREUQCSA-N 1 0 331.420 2.809 10 5 EFBERO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788765872 1276295345 /nfs/dbraw/zinc/29/53/45/1276295345.db2.gz QADWABBILGUTSA-GFCCVEGCSA-N 1 0 340.383 2.999 10 5 EFBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788802048 1276316654 /nfs/dbraw/zinc/31/66/54/1276316654.db2.gz NRYMLDNUQQKDCY-WBMJQRKESA-N 1 0 342.399 2.705 10 5 EFBERO COc1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)cc1[N+](=O)[O-] ZINC000922976022 1276429606 /nfs/dbraw/zinc/42/96/06/1276429606.db2.gz BZJSEJYWWAWWPR-UHFFFAOYSA-N 1 0 338.310 2.920 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)o2)cc1 ZINC000788975141 1276443839 /nfs/dbraw/zinc/44/38/39/1276443839.db2.gz FJRJKOMDURJQJN-ZDUSSCGKSA-N 1 0 330.262 2.868 10 5 EFBERO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000819045814 1276578280 /nfs/dbraw/zinc/57/82/80/1276578280.db2.gz IVMJFSNLYHLNTA-QGZVFWFLSA-N 1 0 334.347 2.744 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2cc(F)ccc2F)cc1 ZINC000819045909 1276578445 /nfs/dbraw/zinc/57/84/45/1276578445.db2.gz KLFWAOXITDFARH-INIZCTEOSA-N 1 0 338.310 2.575 10 5 EFBERO COc1cccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819059803 1276586287 /nfs/dbraw/zinc/58/62/87/1276586287.db2.gz LBSFEDLOPBNEHE-UGSOOPFHSA-N 1 0 330.384 2.858 10 5 EFBERO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819059798 1276587322 /nfs/dbraw/zinc/58/73/22/1276587322.db2.gz LBSFEDLOPBNEHE-ACJLOTCBSA-N 1 0 330.384 2.858 10 5 EFBERO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013610 1276588231 /nfs/dbraw/zinc/58/82/31/1276588231.db2.gz DUJIFSHONSMQON-IAGOWNOFSA-N 1 0 328.368 2.968 10 5 EFBERO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC000819092794 1276603092 /nfs/dbraw/zinc/60/30/92/1276603092.db2.gz DMBATHLQDHPMQI-QGZVFWFLSA-N 1 0 348.378 2.563 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)cc1 ZINC000819216618 1276691964 /nfs/dbraw/zinc/69/19/64/1276691964.db2.gz IXIPMVDJQAUDDH-HNNXBMFYSA-N 1 0 340.301 2.878 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000819377946 1276762623 /nfs/dbraw/zinc/76/26/23/1276762623.db2.gz XCYPPAJZABXSTD-YJBOKZPZSA-N 1 0 345.374 2.636 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000819377943 1276762826 /nfs/dbraw/zinc/76/28/26/1276762826.db2.gz XCYPPAJZABXSTD-CRAIPNDOSA-N 1 0 345.374 2.636 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001136430833 1277511625 /nfs/dbraw/zinc/51/16/25/1277511625.db2.gz IFTCHKHRMFMSPS-CYBMUJFWSA-N 1 0 339.823 2.637 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1F ZINC000790435525 1277553217 /nfs/dbraw/zinc/55/32/17/1277553217.db2.gz VHLXFWAZDVNIHD-UHFFFAOYSA-N 1 0 341.302 2.875 10 5 EFBERO Cc1c(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000790544908 1277657893 /nfs/dbraw/zinc/65/78/93/1277657893.db2.gz KLKQMFFAGNEUCO-INIZCTEOSA-N 1 0 325.368 2.798 10 5 EFBERO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017854 1287400732 /nfs/dbraw/zinc/40/07/32/1287400732.db2.gz GDUPMRBVTGIRFL-CHWSQXEVSA-N 1 0 326.368 2.970 10 5 EFBERO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017859 1287401919 /nfs/dbraw/zinc/40/19/19/1287401919.db2.gz GDUPMRBVTGIRFL-STQMWFEESA-N 1 0 326.368 2.970 10 5 EFBERO COC(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872026947 1287405132 /nfs/dbraw/zinc/40/51/32/1287405132.db2.gz JCQIYUFPZPXBAI-JTQLQIEISA-N 1 0 325.340 2.615 10 5 EFBERO COCCC[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031548 1287405550 /nfs/dbraw/zinc/40/55/50/1287405550.db2.gz QLHDVMFJCKZTLB-CYBMUJFWSA-N 1 0 339.411 2.885 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCOC1=O ZINC000872031995 1287406377 /nfs/dbraw/zinc/40/63/77/1287406377.db2.gz OSOJKSWCUKXMFP-NSHDSACASA-N 1 0 339.417 2.810 10 5 EFBERO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872035003 1287406778 /nfs/dbraw/zinc/40/67/78/1287406778.db2.gz JMZGIJCDINKCJI-KBPBESRZSA-N 1 0 339.411 2.621 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040265 1287408542 /nfs/dbraw/zinc/40/85/42/1287408542.db2.gz WWNIFMJZQSUSLB-CHWSQXEVSA-N 1 0 347.394 2.787 10 5 EFBERO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038230 1287408614 /nfs/dbraw/zinc/40/86/14/1287408614.db2.gz LWAGAKXPOCTEBS-OLZOCXBDSA-N 1 0 326.368 2.828 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC001129701703 1280314979 /nfs/dbraw/zinc/31/49/79/1280314979.db2.gz WJMVIJIMUXYJOC-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO COC1([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872078604 1287422216 /nfs/dbraw/zinc/42/22/16/1287422216.db2.gz BYBAWBDNORCRPB-VXGBXAGGSA-N 1 0 326.368 2.969 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872086005 1287424589 /nfs/dbraw/zinc/42/45/89/1287424589.db2.gz SUMULKAKMHQNDC-XPCVCDNBSA-N 1 0 340.395 2.951 10 5 EFBERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086013 1287424748 /nfs/dbraw/zinc/42/47/48/1287424748.db2.gz SYSKVLCBGVXDOS-NSHDSACASA-N 1 0 344.408 2.599 10 5 EFBERO CC1(C)CO[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000872106668 1287430358 /nfs/dbraw/zinc/43/03/58/1287430358.db2.gz JTHJLOZJIBBZCU-KRWDZBQOSA-N 1 0 333.432 2.968 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872109758 1287431267 /nfs/dbraw/zinc/43/12/67/1287431267.db2.gz QTJQNVVIWJYBJN-UTJXIGIESA-N 1 0 347.415 2.859 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872149509 1287445958 /nfs/dbraw/zinc/44/59/58/1287445958.db2.gz NTZWEZODDKJHAO-KOLCDFICSA-N 1 0 337.729 2.817 10 5 EFBERO O=C(CC[NH2+]C[C@H]1CCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872229937 1287487480 /nfs/dbraw/zinc/48/74/80/1287487480.db2.gz TWWXXMCYGIBPMJ-CQSZACIVSA-N 1 0 347.415 2.720 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000872231257 1287488716 /nfs/dbraw/zinc/48/87/16/1287488716.db2.gz FRBLUZGZFQUCJI-CQSZACIVSA-N 1 0 336.413 2.632 10 5 EFBERO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000872230994 1287488857 /nfs/dbraw/zinc/48/88/57/1287488857.db2.gz CDYFIPGIHJELGT-LLVKDONJSA-N 1 0 332.347 2.606 10 5 EFBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCC[NH+]1CCCCC1 ZINC000808561161 1281796081 /nfs/dbraw/zinc/79/60/81/1281796081.db2.gz CMBBZERUSNEAIP-UHFFFAOYSA-N 1 0 342.342 2.835 10 5 EFBERO CCn1c2ccccc2nc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735084 1282414662 /nfs/dbraw/zinc/41/46/62/1282414662.db2.gz SBAFAXRZMRKDPL-UHFFFAOYSA-N 1 0 339.399 2.930 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC001175890540 1287579095 /nfs/dbraw/zinc/57/90/95/1287579095.db2.gz BENLQHOPRANWTH-WCQYABFASA-N 1 0 346.387 2.799 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554198 1287591147 /nfs/dbraw/zinc/59/11/47/1287591147.db2.gz UQZRNBRCBZKWIM-WCQYABFASA-N 1 0 329.356 2.668 10 5 EFBERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953178 1282677377 /nfs/dbraw/zinc/67/73/77/1282677377.db2.gz GZLJGJYFRJBYMG-CYBMUJFWSA-N 1 0 337.203 2.779 10 5 EFBERO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554196 1287590656 /nfs/dbraw/zinc/59/06/56/1287590656.db2.gz UQZRNBRCBZKWIM-AAEUAGOBSA-N 1 0 329.356 2.668 10 5 EFBERO C/C=C(/C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1 ZINC001132059072 1282827925 /nfs/dbraw/zinc/82/79/25/1282827925.db2.gz KSRJDELXCSZWBE-RZNTYIFUSA-N 1 0 346.431 2.666 10 5 EFBERO C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176030118 1287663685 /nfs/dbraw/zinc/66/36/85/1287663685.db2.gz YTQUYCXBABGRCC-CYBMUJFWSA-N 1 0 338.367 2.656 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2csc([N+](=O)[O-])c2)C1 ZINC000811447882 1284325581 /nfs/dbraw/zinc/32/55/81/1284325581.db2.gz QKMYDKQYLWWXHC-CQSZACIVSA-N 1 0 330.381 2.912 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000811449538 1284326211 /nfs/dbraw/zinc/32/62/11/1284326211.db2.gz RQHJPPRAHUCUOM-INIZCTEOSA-N 1 0 342.342 2.990 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000747818783 1285424777 /nfs/dbraw/zinc/42/47/77/1285424777.db2.gz MJWFYYUSCAAEPR-MRXNPFEDSA-N 1 0 334.347 2.874 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171936716 1285933963 /nfs/dbraw/zinc/93/39/63/1285933963.db2.gz FTPMHONWHIOBDT-JKIFEVAISA-N 1 0 334.416 2.975 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001176927497 1288176361 /nfs/dbraw/zinc/17/63/61/1288176361.db2.gz SLENAVGMHCNJHN-SJORKVTESA-N 1 0 347.415 2.957 10 5 EFBERO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)F ZINC000824637227 1289733970 /nfs/dbraw/zinc/73/39/70/1289733970.db2.gz WXEPECBVZPVNLH-LSDHHAIUSA-N 1 0 343.374 2.558 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001186872771 1291031266 /nfs/dbraw/zinc/03/12/66/1291031266.db2.gz PVGRITZCFMROHG-JKSUJKDBSA-N 1 0 326.400 2.994 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903539608 1312838946 /nfs/dbraw/zinc/83/89/46/1312838946.db2.gz PEQCRUQPXQRUFG-GHMZBOCLSA-N 1 0 337.729 2.960 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660505 1291746115 /nfs/dbraw/zinc/74/61/15/1291746115.db2.gz UJBMEACREJIAEM-MORSLUCNSA-N 1 0 330.384 2.730 10 5 EFBERO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000903568935 1312878699 /nfs/dbraw/zinc/87/86/99/1312878699.db2.gz SAFXEXMBJQEHSM-ZDUSSCGKSA-N 1 0 345.374 2.750 10 5 EFBERO O=C(CC[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000880505575 1292520753 /nfs/dbraw/zinc/52/07/53/1292520753.db2.gz CUMQZWDFSSPGRI-WBVHZDCISA-N 1 0 333.388 2.615 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880506317 1292521493 /nfs/dbraw/zinc/52/14/93/1292521493.db2.gz ITUYCQZNEFGDMV-AEFFLSMTSA-N 1 0 347.415 2.923 10 5 EFBERO COc1ccc(OCC[NH2+][C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1 ZINC000880507486 1292523482 /nfs/dbraw/zinc/52/34/82/1292523482.db2.gz HRXBVVMJHDKORQ-SJORKVTESA-N 1 0 336.388 2.674 10 5 EFBERO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001192313276 1292865798 /nfs/dbraw/zinc/86/57/98/1292865798.db2.gz CCMYGQAWKVOFBV-MNOVXSKESA-N 1 0 342.237 2.882 10 5 EFBERO CCCn1nccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001192626843 1292963447 /nfs/dbraw/zinc/96/34/47/1292963447.db2.gz QOBYZRQTVXPASB-ZDUSSCGKSA-N 1 0 345.403 2.799 10 5 EFBERO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000775547813 1293052479 /nfs/dbraw/zinc/05/24/79/1293052479.db2.gz DSVASAMQMRZEIN-JKSUJKDBSA-N 1 0 332.404 2.739 10 5 EFBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882820288 1293338070 /nfs/dbraw/zinc/33/80/70/1293338070.db2.gz KMEIOSAHIHXZAI-ZDUSSCGKSA-N 1 0 340.383 2.908 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001194262298 1293574914 /nfs/dbraw/zinc/57/49/14/1293574914.db2.gz MAMPPSNECPOAPR-SJLPKXTDSA-N 1 0 334.416 2.797 10 5 EFBERO CC(C)[N@H+](C)CCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930182847 1294087194 /nfs/dbraw/zinc/08/71/94/1294087194.db2.gz XJWRZLJUQFJYGG-UHFFFAOYSA-N 1 0 325.384 2.513 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000885935707 1294570220 /nfs/dbraw/zinc/57/02/20/1294570220.db2.gz PQTGPQOSTHKFBV-MSOLQXFVSA-N 1 0 331.416 2.674 10 5 EFBERO CC1(C)CO[C@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000886306955 1294838041 /nfs/dbraw/zinc/83/80/41/1294838041.db2.gz FMAFDYPUHSLIOW-CYBMUJFWSA-N 1 0 336.388 2.661 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334233 1294868100 /nfs/dbraw/zinc/86/81/00/1294868100.db2.gz SMAVHQASOBOTFU-XQQXEPSBSA-N 1 0 332.400 2.924 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)O2)[C@H]1C ZINC000886341100 1294873923 /nfs/dbraw/zinc/87/39/23/1294873923.db2.gz PRISUAXYUPZDIQ-HTTKSJEASA-N 1 0 326.418 2.719 10 5 EFBERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818391 1294874363 /nfs/dbraw/zinc/87/43/63/1294874363.db2.gz XFKORQBKQVNJPH-RYUDHWBXSA-N 1 0 339.367 2.690 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000886391880 1294919439 /nfs/dbraw/zinc/91/94/39/1294919439.db2.gz DOTNMUZLWWARBN-UHFFFAOYSA-N 1 0 334.372 2.569 10 5 EFBERO O=C(CCC(F)F)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691726864 1295304122 /nfs/dbraw/zinc/30/41/22/1295304122.db2.gz GHBIMCSWIZTVAK-BJHJDKERSA-N 1 0 341.358 2.625 10 5 EFBERO O=C(/C=C\c1ccco1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273804884 1295920171 /nfs/dbraw/zinc/92/01/71/1295920171.db2.gz KVRINSKVQSHAMY-REXUQAFDSA-N 1 0 341.367 2.663 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001273844248 1296283140 /nfs/dbraw/zinc/28/31/40/1296283140.db2.gz XOTHMZJNOQXIOK-AATRIKPKSA-N 1 0 343.383 2.880 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000803859371 1313265405 /nfs/dbraw/zinc/26/54/05/1313265405.db2.gz ZNQDDFNBHXSFAR-CQSZACIVSA-N 1 0 336.388 2.781 10 5 EFBERO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C23CCC3)cc(C(F)(F)F)c1 ZINC000925662194 1296868143 /nfs/dbraw/zinc/86/81/43/1296868143.db2.gz ZGYRLSKLPPHIIR-CYBMUJFWSA-N 1 0 329.322 2.988 10 5 EFBERO C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000925764215 1296876239 /nfs/dbraw/zinc/87/62/39/1296876239.db2.gz XGLFCLGYGIHESS-CABZTGNLSA-N 1 0 328.210 2.587 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927041200 1296981425 /nfs/dbraw/zinc/98/14/25/1296981425.db2.gz AUQCTYWGSKKDDN-PRTUASRFSA-N 1 0 338.429 2.662 10 5 EFBERO Cc1cccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC000928842154 1297136381 /nfs/dbraw/zinc/13/63/81/1297136381.db2.gz KDUHXADYIJMZGG-INIZCTEOSA-N 1 0 342.399 2.721 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000931626075 1297357790 /nfs/dbraw/zinc/35/77/90/1297357790.db2.gz NOYDXSHQIVWBEN-IINYFYTJSA-N 1 0 338.795 2.724 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000931626074 1297358568 /nfs/dbraw/zinc/35/85/68/1297358568.db2.gz NOYDXSHQIVWBEN-HZMBPMFUSA-N 1 0 338.795 2.724 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903975306 1313522609 /nfs/dbraw/zinc/52/26/09/1313522609.db2.gz ZOASMQWRWKISJL-WBVHZDCISA-N 1 0 347.459 2.664 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C(F)F)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490196885 1298626771 /nfs/dbraw/zinc/62/67/71/1298626771.db2.gz QJSOZEONBUGACQ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903983294 1313535536 /nfs/dbraw/zinc/53/55/36/1313535536.db2.gz FEJKQOAOJHYLSC-GXSJLCMTSA-N 1 0 337.729 2.960 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852084095 1299541697 /nfs/dbraw/zinc/54/16/97/1299541697.db2.gz PYAVKUNSPAZCHX-YJBOKZPZSA-N 1 0 327.384 2.903 10 5 EFBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590097 1299686831 /nfs/dbraw/zinc/68/68/31/1299686831.db2.gz CDXKCLZDFUJGLJ-OMWUSAIZSA-N 1 0 342.395 2.952 10 5 EFBERO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000852586541 1299772888 /nfs/dbraw/zinc/77/28/88/1299772888.db2.gz IXZDPORDUXCHJM-NEPJUHHUSA-N 1 0 339.367 2.562 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852758681 1299870579 /nfs/dbraw/zinc/87/05/79/1299870579.db2.gz DENKMAAPCJFQLZ-KURKYZTESA-N 1 0 332.400 2.521 10 5 EFBERO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242736 1300062587 /nfs/dbraw/zinc/06/25/87/1300062587.db2.gz WLAVYEXGVRYAPL-QWRGUYRKSA-N 1 0 341.795 2.532 10 5 EFBERO C[N@H+](C[C@@H]1CC1(C)C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853627862 1300199672 /nfs/dbraw/zinc/19/96/72/1300199672.db2.gz IBAJISBOHILWIS-HOCLYGCPSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000854513255 1300601692 /nfs/dbraw/zinc/60/16/92/1300601692.db2.gz JZMFIKHBMYMQFJ-CZUORRHYSA-N 1 0 340.383 2.679 10 5 EFBERO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccns1 ZINC000860058042 1301686375 /nfs/dbraw/zinc/68/63/75/1301686375.db2.gz FVVMZFHRKZLXRX-VIFPVBQESA-N 1 0 338.364 2.870 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C(C)(C)C1 ZINC000860511821 1301831109 /nfs/dbraw/zinc/83/11/09/1301831109.db2.gz VJJIFCHIAPLYOI-UHFFFAOYSA-N 1 0 327.384 2.914 10 5 EFBERO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000861358656 1302103960 /nfs/dbraw/zinc/10/39/60/1302103960.db2.gz YPCDAQIBFYDABU-UHFFFAOYSA-N 1 0 345.403 2.995 10 5 EFBERO COc1cccc(C(=O)OCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC000861360930 1302106146 /nfs/dbraw/zinc/10/61/46/1302106146.db2.gz MSNMKLIAVBNWQC-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@H]2C1 ZINC000861807859 1302210519 /nfs/dbraw/zinc/21/05/19/1302210519.db2.gz GLRHYCHWXMGMRB-DYVFJYSZSA-N 1 0 325.368 2.524 10 5 EFBERO C[C@H]1CC[C@@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000794639524 1302846083 /nfs/dbraw/zinc/84/60/83/1302846083.db2.gz MCAXZVKSJMZMAG-YVEFUNNKSA-N 1 0 331.372 2.972 10 5 EFBERO C[C@@H]1CC[C@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000794639510 1302847543 /nfs/dbraw/zinc/84/75/43/1302847543.db2.gz MCAXZVKSJMZMAG-PXAZEXFGSA-N 1 0 331.372 2.972 10 5 EFBERO CCC[NH+]1CCC(CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865487377 1303281405 /nfs/dbraw/zinc/28/14/05/1303281405.db2.gz KPEDGFMTXPNHOV-UHFFFAOYSA-N 1 0 325.384 2.760 10 5 EFBERO C[C@@](CO)([NH2+][C@H]1CCc2cccnc2CC1)c1cccc([N+](=O)[O-])c1 ZINC000865704153 1303372631 /nfs/dbraw/zinc/37/26/31/1303372631.db2.gz RTHNDLUIKWMQRD-LPHOPBHVSA-N 1 0 341.411 2.735 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1O ZINC000865777734 1303396858 /nfs/dbraw/zinc/39/68/58/1303396858.db2.gz BHIRLCGBNUFLFS-ZDUSSCGKSA-N 1 0 336.388 2.605 10 5 EFBERO C[NH+](C)C[C@]1(O)CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865923756 1303455720 /nfs/dbraw/zinc/45/57/20/1303455720.db2.gz BCCYJBHFAPGAHS-CQSZACIVSA-N 1 0 348.230 2.795 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000866022331 1303491468 /nfs/dbraw/zinc/49/14/68/1303491468.db2.gz VRONWNCIMQLJQW-UHFFFAOYSA-N 1 0 331.376 2.586 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000866022414 1303491956 /nfs/dbraw/zinc/49/19/56/1303491956.db2.gz XZGBAIDXHZFOGZ-UHFFFAOYSA-N 1 0 329.404 2.697 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000866207078 1303562430 /nfs/dbraw/zinc/56/24/30/1303562430.db2.gz UZKRXVWGBGYNRP-MFKMUULPSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@H]21 ZINC000866205411 1303562519 /nfs/dbraw/zinc/56/25/19/1303562519.db2.gz LMVZAZPGNQUYMS-ZYHUDNBSSA-N 1 0 327.331 2.727 10 5 EFBERO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000866412704 1303627189 /nfs/dbraw/zinc/62/71/89/1303627189.db2.gz LYVPVBFXPARJFB-MAUKXSAKSA-N 1 0 347.459 2.797 10 5 EFBERO CCC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411265 1303627786 /nfs/dbraw/zinc/62/77/86/1303627786.db2.gz HUAQQYTYILMZGU-RDJZCZTQSA-N 1 0 335.448 2.871 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccnn1C ZINC000866612412 1303710781 /nfs/dbraw/zinc/71/07/81/1303710781.db2.gz IFRHVDFGCGCAEJ-ZDUSSCGKSA-N 1 0 329.404 2.648 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000867992186 1304064627 /nfs/dbraw/zinc/06/46/27/1304064627.db2.gz YDGICNUPYMHDFU-QGZVFWFLSA-N 1 0 341.367 2.799 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000867991294 1304064793 /nfs/dbraw/zinc/06/47/93/1304064793.db2.gz NQBYZVYMXZEBGX-KRWDZBQOSA-N 1 0 325.368 2.963 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000868430397 1304292827 /nfs/dbraw/zinc/29/28/27/1304292827.db2.gz PJFWTILBSDYQNU-HUUCEWRRSA-N 1 0 334.420 2.575 10 5 EFBERO O=[N+]([O-])c1ccc(NC(=S)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000795018890 1304334096 /nfs/dbraw/zinc/33/40/96/1304334096.db2.gz ZAUJLYNHRGKLSQ-UHFFFAOYSA-N 1 0 334.445 2.898 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000869053460 1304591717 /nfs/dbraw/zinc/59/17/17/1304591717.db2.gz AHMXXEXSFYDWQE-UHFFFAOYSA-N 1 0 348.447 2.919 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000869053903 1304592405 /nfs/dbraw/zinc/59/24/05/1304592405.db2.gz XNRJKDPRSPAQOE-MRXNPFEDSA-N 1 0 348.447 2.823 10 5 EFBERO O=C(CCC12CC(C1)C[NH2+]2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000870909188 1305674403 /nfs/dbraw/zinc/67/44/03/1305674403.db2.gz AYQYEZHRHLFKBG-UHFFFAOYSA-N 1 0 329.400 2.618 10 5 EFBERO CC(C)[NH+]1CCC(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000870954480 1305707595 /nfs/dbraw/zinc/70/75/95/1305707595.db2.gz DOGRNQXPWNHAOK-UHFFFAOYSA-N 1 0 335.404 2.541 10 5 EFBERO Cc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000870961550 1305712682 /nfs/dbraw/zinc/71/26/82/1305712682.db2.gz AFMDZKNVXYTXGA-UHFFFAOYSA-N 1 0 342.399 2.559 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1(C)C ZINC000871150038 1305836080 /nfs/dbraw/zinc/83/60/80/1305836080.db2.gz JHUZHPUGJUNKDJ-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000871362246 1306022097 /nfs/dbraw/zinc/02/20/97/1306022097.db2.gz PETCHMFFEDAWOA-UHFFFAOYSA-N 1 0 337.395 2.656 10 5 EFBERO C[NH+](C)C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900633446 1308442493 /nfs/dbraw/zinc/44/24/93/1308442493.db2.gz MQIXFWSJZKCHKL-UHFFFAOYSA-N 1 0 329.759 2.554 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cccc(F)c1 ZINC001276997348 1311434794 /nfs/dbraw/zinc/43/47/94/1311434794.db2.gz LSVPXVDTSCKYMV-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO Cc1coc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001277150275 1311712527 /nfs/dbraw/zinc/71/25/27/1311712527.db2.gz NVPGCQKCUOCOJH-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)n1 ZINC001161419751 1311884036 /nfs/dbraw/zinc/88/40/36/1311884036.db2.gz OBSTYLRWGYMQRN-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC001162010026 1312028706 /nfs/dbraw/zinc/02/87/06/1312028706.db2.gz JKHCLABSBZXTJM-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC001162482836 1312111472 /nfs/dbraw/zinc/11/14/72/1312111472.db2.gz MQZQEOUACQRGAQ-AWEZNQCLSA-N 1 0 347.415 2.976 10 5 EFBERO CC[C@@H](CO)[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001162651765 1312143246 /nfs/dbraw/zinc/14/32/46/1312143246.db2.gz ALORUCHWOUBQPG-LBPRGKRZSA-N 1 0 347.337 2.507 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC001162658811 1312145293 /nfs/dbraw/zinc/14/52/93/1312145293.db2.gz AUNXIRGGNLZJCW-CHWSQXEVSA-N 1 0 335.404 2.975 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@H]([NH+](C)C)C3(C)C)c2c1 ZINC001163572252 1312340117 /nfs/dbraw/zinc/34/01/17/1312340117.db2.gz VSPHHLVGLVESEE-HOTGVXAUSA-N 1 0 344.415 2.714 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001163571062 1312340159 /nfs/dbraw/zinc/34/01/59/1312340159.db2.gz FFQFJMZMNIBTOG-GJZGRUSLSA-N 1 0 332.379 2.845 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001163930255 1312409291 /nfs/dbraw/zinc/40/92/91/1312409291.db2.gz PZGGTJSTLJQKMJ-OAHLLOKOSA-N 1 0 337.395 2.845 10 5 EFBERO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903156179 1312416219 /nfs/dbraw/zinc/41/62/19/1312416219.db2.gz OYHBELWVRJFORS-FUJMWEONSA-N 1 0 340.445 2.849 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903211092 1312466224 /nfs/dbraw/zinc/46/62/24/1312466224.db2.gz RACGIYLCJLJJKP-VXGBXAGGSA-N 1 0 337.445 2.836 10 5 EFBERO CN1C[C@@H](CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903211568 1312466849 /nfs/dbraw/zinc/46/68/49/1312466849.db2.gz TVAJDYMIWOQZFN-SUMWQHHRSA-N 1 0 331.416 2.820 10 5 EFBERO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287252 1312538316 /nfs/dbraw/zinc/53/83/16/1312538316.db2.gz LZLNDXPJMWDGLU-BXUZGUMPSA-N 1 0 344.371 2.764 10 5 EFBERO Cc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001254240341 1315686408 /nfs/dbraw/zinc/68/64/08/1315686408.db2.gz HDQFGWOUVIHWPG-HNNXBMFYSA-N 1 0 348.447 2.967 10 5 EFBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262377001 1316465016 /nfs/dbraw/zinc/46/50/16/1316465016.db2.gz JCKRQRUMTVJJLD-ZNMIVQPWSA-N 1 0 331.416 2.964 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC001263637770 1316552859 /nfs/dbraw/zinc/55/28/59/1316552859.db2.gz BFIJMRCNRWFIGY-GAFUQQFSSA-N 1 0 338.795 2.710 10 5 EFBERO CCc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC001263867534 1316570511 /nfs/dbraw/zinc/57/05/11/1316570511.db2.gz CKKDSKYMSMYZNE-UHFFFAOYSA-N 1 0 331.416 2.763 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263868056 1316570813 /nfs/dbraw/zinc/57/08/13/1316570813.db2.gz ULGGILPIHXPCKE-SJORKVTESA-N 1 0 343.427 2.691 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263868055 1316570914 /nfs/dbraw/zinc/57/09/14/1316570914.db2.gz ULGGILPIHXPCKE-IRXDYDNUSA-N 1 0 343.427 2.691 10 5 EFBERO Cc1cccnc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001264974814 1316676716 /nfs/dbraw/zinc/67/67/16/1316676716.db2.gz NICFLFHXNVTUNQ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ocnc1C)Cc1ccccc1[N+](=O)[O-] ZINC001265107946 1316722833 /nfs/dbraw/zinc/72/28/33/1316722833.db2.gz UJVIEKIWBIPSEX-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001265470553 1316810308 /nfs/dbraw/zinc/81/03/08/1316810308.db2.gz LUMDGSXVQMLODF-VGRCQALKSA-N 1 0 331.416 2.934 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001265528849 1316821514 /nfs/dbraw/zinc/82/15/14/1316821514.db2.gz HSIOKBNHHUXLGS-BETUJISGSA-N 1 0 349.412 2.619 10 5 EFBERO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001265710566 1316865075 /nfs/dbraw/zinc/86/50/75/1316865075.db2.gz FDNSDCGDEVSJFH-QLPKVWCKSA-N 1 0 331.416 2.577 10 5 EFBERO CCC/C=C\CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279353219 1317243315 /nfs/dbraw/zinc/24/33/15/1317243315.db2.gz VEMPXYRNIJAICN-OSNZYPHYSA-N 1 0 349.475 2.759 10 5 EFBERO CC/C(C)=C\C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001279363802 1317245845 /nfs/dbraw/zinc/24/58/45/1317245845.db2.gz WKROBSDBTIXNAK-YSLZGXTCSA-N 1 0 343.427 2.841 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CC=CC1 ZINC001280473637 1317579473 /nfs/dbraw/zinc/57/94/73/1317579473.db2.gz ZHYZPUYJRAIJSD-UHFFFAOYSA-N 1 0 329.400 2.690 10 5 EFBERO CCC(=O)N1CCC(CC)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001280977894 1317939463 /nfs/dbraw/zinc/93/94/63/1317939463.db2.gz DJEQMJIMXNLSHO-UHFFFAOYSA-N 1 0 325.434 2.927 10 5 EFBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1)C(F)F ZINC001282592536 1319016879 /nfs/dbraw/zinc/01/68/79/1319016879.db2.gz DRPDBHWUXGPASP-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO O=C(CCCF)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001319368372 1328864349 /nfs/dbraw/zinc/86/43/49/1328864349.db2.gz HBLCQUOBXKSCMP-UHFFFAOYSA-N 1 0 343.424 2.925 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001316631563 1320246276 /nfs/dbraw/zinc/24/62/76/1320246276.db2.gz ZPRLDBOKWFIXFB-KPTJZTMLSA-N 1 0 331.416 2.936 10 5 EFBERO CC(C)N(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533300 1320408035 /nfs/dbraw/zinc/40/80/35/1320408035.db2.gz ILZLKMMQIKJNCU-IAGOWNOFSA-N 1 0 339.480 2.791 10 5 EFBERO C[NH+]1CCC(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001292649693 1322100641 /nfs/dbraw/zinc/10/06/41/1322100641.db2.gz DARCIQFZNDSHFZ-UHFFFAOYSA-N 1 0 339.823 2.639 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001295041364 1322623591 /nfs/dbraw/zinc/62/35/91/1322623591.db2.gz INWWCZDBTQBSRD-CYBMUJFWSA-N 1 0 337.395 2.750 10 5 EFBERO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001296648048 1322965501 /nfs/dbraw/zinc/96/55/01/1322965501.db2.gz GWKUHIREALITJN-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001297526718 1323256922 /nfs/dbraw/zinc/25/69/22/1323256922.db2.gz YKEKOQHTWJTRTC-LLVKDONJSA-N 1 0 327.812 2.636 10 5 EFBERO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001298875663 1323627605 /nfs/dbraw/zinc/62/76/05/1323627605.db2.gz MVSRWVGAERWJOC-UHFFFAOYSA-N 1 0 328.372 2.533 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C12CCC2 ZINC001301549585 1324548236 /nfs/dbraw/zinc/54/82/36/1324548236.db2.gz VFLVUBWKCKULEK-UONOGXRCSA-N 1 0 337.807 2.851 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043840 1324633992 /nfs/dbraw/zinc/63/39/92/1324633992.db2.gz ZQYPBTCJARMAOE-NHYWBVRUSA-N 1 0 337.395 2.684 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([NH2+]C2CCOCC2)C1 ZINC001307208581 1324750467 /nfs/dbraw/zinc/75/04/67/1324750467.db2.gz JUIVEKKRJHQTQG-UHFFFAOYSA-N 1 0 346.214 2.859 10 5 EFBERO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC001307236702 1324753622 /nfs/dbraw/zinc/75/36/22/1324753622.db2.gz NFLAJDSBKLSRHD-OAHLLOKOSA-N 1 0 327.384 2.624 10 5 EFBERO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307632498 1324774377 /nfs/dbraw/zinc/77/43/77/1324774377.db2.gz XFJYROFNNYSUKW-QWRGUYRKSA-N 1 0 342.237 2.882 10 5 EFBERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308067965 1324790973 /nfs/dbraw/zinc/79/09/73/1324790973.db2.gz SPLFIKXURDDYIN-BXUZGUMPSA-N 1 0 346.320 2.830 10 5 EFBERO COC1(c2nccn2C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308050272 1324791618 /nfs/dbraw/zinc/79/16/18/1324791618.db2.gz DWDYBKPSBYNYRF-UHFFFAOYSA-N 1 0 344.415 2.509 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC001308121485 1324794268 /nfs/dbraw/zinc/79/42/68/1324794268.db2.gz MOALRFWJCPNNOP-HOTGVXAUSA-N 1 0 329.400 2.704 10 5 EFBERO Cc1ncccc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001316847840 1325214694 /nfs/dbraw/zinc/21/46/94/1325214694.db2.gz DFMQSYRNPLOEPS-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(C)(F)C(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001316911517 1325329893 /nfs/dbraw/zinc/32/98/93/1325329893.db2.gz GQNWFBUEDRIUAE-UHFFFAOYSA-N 1 0 337.395 2.814 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001320945415 1329323129 /nfs/dbraw/zinc/32/31/29/1329323129.db2.gz UZBRHSFCZJULCD-UPHRSURJSA-N 1 0 343.358 2.810 10 5 EFBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001320956882 1329324735 /nfs/dbraw/zinc/32/47/35/1329324735.db2.gz RFBGWMRLHCAYFB-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO CC(C)(C)/C=C\C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320996221 1329328996 /nfs/dbraw/zinc/32/89/96/1329328996.db2.gz CAFZCRFALPVNEO-KBIUANSJSA-N 1 0 331.416 2.959 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001321042275 1329335779 /nfs/dbraw/zinc/33/57/79/1329335779.db2.gz RXVKLAJXPPGUML-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO CCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317213070 1327756443 /nfs/dbraw/zinc/75/64/43/1327756443.db2.gz XZMMYFQSSLXTFL-FVQHAEBGSA-N 1 0 345.443 2.968 10 5 EFBERO Cc1cocc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317553889 1328140525 /nfs/dbraw/zinc/14/05/25/1328140525.db2.gz AGKNAMJPKUFILI-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO Cc1coc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001322657832 1329476256 /nfs/dbraw/zinc/47/62/56/1329476256.db2.gz PEMXBHQPHRYDRA-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001322680104 1329478796 /nfs/dbraw/zinc/47/87/96/1329478796.db2.gz DPOSKUAWVGHQLR-KGLIPLIRSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001326912850 1330383042 /nfs/dbraw/zinc/38/30/42/1330383042.db2.gz AKDVVLUVLGQOID-UHFFFAOYSA-N 1 0 325.434 2.831 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1C ZINC001327186559 1330438243 /nfs/dbraw/zinc/43/82/43/1330438243.db2.gz CNWLLERVXJPASB-UHFFFAOYSA-N 1 0 344.415 2.527 10 5 EFBERO COc1cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC001328697086 1330617096 /nfs/dbraw/zinc/61/70/96/1330617096.db2.gz QQPCALSKJHWLAW-JGPRNRPPSA-N 1 0 328.315 2.745 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329630616 1330724916 /nfs/dbraw/zinc/72/49/16/1330724916.db2.gz JFJYIJPMKWICMR-UHFFFAOYSA-N 1 0 334.420 2.598 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001331553571 1330852613 /nfs/dbraw/zinc/85/26/13/1330852613.db2.gz FQYPYVPNQSJBNO-GFCCVEGCSA-N 1 0 343.387 2.749 10 5 EFBERO COC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001333095031 1331077425 /nfs/dbraw/zinc/07/74/25/1331077425.db2.gz ZEGFHNUNIXDMBT-LSDHHAIUSA-N 1 0 335.404 2.975 10 5 EFBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001333284817 1331106071 /nfs/dbraw/zinc/10/60/71/1331106071.db2.gz MRPFSNLAQJMMJC-UHFFFAOYSA-N 1 0 348.447 2.617 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001335690465 1331391488 /nfs/dbraw/zinc/39/14/88/1331391488.db2.gz JCKKBCQTHRYECY-CABCVRRESA-N 1 0 334.420 2.575 10 5 EFBERO C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347531136 1332753207 /nfs/dbraw/zinc/75/32/07/1332753207.db2.gz RCODYDOVASYDLR-LXTVHRRPSA-N 1 0 331.416 2.892 10 5 EFBERO CC1(C)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001347587556 1332758450 /nfs/dbraw/zinc/75/84/50/1332758450.db2.gz BVLJIHLQICJMRW-UHFFFAOYSA-N 1 0 349.431 2.743 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001348898310 1332881610 /nfs/dbraw/zinc/88/16/10/1332881610.db2.gz BMSQXDMKADCRKF-UHFFFAOYSA-N 1 0 342.399 2.682 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001350120937 1333037669 /nfs/dbraw/zinc/03/76/69/1333037669.db2.gz FLRUWMNEPIILSP-UHFFFAOYSA-N 1 0 343.383 2.947 10 5 EFBERO CC(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001352097211 1333385221 /nfs/dbraw/zinc/38/52/21/1333385221.db2.gz BJQWKKNPGPQINK-XHSDSOJGSA-N 1 0 331.416 2.964 10 5 EFBERO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)CCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001352188955 1333419505 /nfs/dbraw/zinc/41/95/05/1333419505.db2.gz HSAPJTCNYNWJAI-HYVNUMGLSA-N 1 0 345.443 2.716 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000848371729 1334698864 /nfs/dbraw/zinc/69/88/64/1334698864.db2.gz ULZYOJPOLKNNFY-YPKPFQOOSA-N 1 0 329.400 2.695 10 5 EFBERO CCC1CC[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848474799 1334735027 /nfs/dbraw/zinc/73/50/27/1334735027.db2.gz IEMNAWIBCQMACG-QGZVFWFLSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476974 1334736468 /nfs/dbraw/zinc/73/64/68/1334736468.db2.gz JKZKGGUQJZKGLU-WMLDXEAASA-N 1 0 331.416 2.990 10 5 EFBERO C[C@@H]1SCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000848478888 1334736803 /nfs/dbraw/zinc/73/68/03/1334736803.db2.gz OAVHZICNBWJGOT-HEHGZKQESA-N 1 0 349.456 2.694 10 5 EFBERO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481262 1334737767 /nfs/dbraw/zinc/73/77/67/1334737767.db2.gz XLVJTKUVNPDCRU-UNEWFSDZSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000848483028 1334739244 /nfs/dbraw/zinc/73/92/44/1334739244.db2.gz XNUREJIBKSVXLD-RDJZCZTQSA-N 1 0 329.400 2.600 10 5 EFBERO CN(CCOC(C)(C)C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481599 1334739654 /nfs/dbraw/zinc/73/96/54/1334739654.db2.gz DFTXOXCOCXSOKP-MRXNPFEDSA-N 1 0 349.431 2.615 10 5 EFBERO CC[N@H+](CCC1CC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485085 1334741699 /nfs/dbraw/zinc/74/16/99/1334741699.db2.gz VAGVVAOGFBKKHW-KRWDZBQOSA-N 1 0 331.416 2.990 10 5 EFBERO CC[N@H+](CC1CCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848486630 1334743752 /nfs/dbraw/zinc/74/37/52/1334743752.db2.gz HVUINGXCEMHQGH-KRWDZBQOSA-N 1 0 331.416 2.990 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000848489168 1334745455 /nfs/dbraw/zinc/74/54/55/1334745455.db2.gz QRLUPJNFBMQGMC-FUHWJXTLSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@@H]1CC(C)(C)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489494 1334746068 /nfs/dbraw/zinc/74/60/68/1334746068.db2.gz VNEFHGOTMQMLLZ-CJNGLKHVSA-N 1 0 331.416 2.989 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848570987 1334799404 /nfs/dbraw/zinc/79/94/04/1334799404.db2.gz OEADXHORSJMPMD-FZMZJTMJSA-N 1 0 349.387 2.627 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000848755449 1334877113 /nfs/dbraw/zinc/87/71/13/1334877113.db2.gz QZQUKJLNWYQFJC-CCSSQEOUSA-N 1 0 333.388 2.533 10 5 EFBERO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848922994 1334989423 /nfs/dbraw/zinc/98/94/23/1334989423.db2.gz BIAGYTUIPFHSMI-RWMBFGLXSA-N 1 0 341.839 2.836 10 5 EFBERO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535677 1335050072 /nfs/dbraw/zinc/05/00/72/1335050072.db2.gz VKTFWVNCXWYDAH-IRXDYDNUSA-N 1 0 334.347 2.745 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C ZINC001358022171 1335355124 /nfs/dbraw/zinc/35/51/24/1335355124.db2.gz JFHZSADDUSZZLL-CABCVRRESA-N 1 0 345.443 2.958 10 5 EFBERO CC/C=C(\C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001506875358 1406395109 /nfs/dbraw/zinc/39/51/09/1406395109.db2.gz PXSYDACCRMGWCC-YHIBUNJOSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC001440644566 1389795014 /nfs/dbraw/zinc/79/50/14/1389795014.db2.gz MOSSIWTZLCJLDW-UHFFFAOYSA-N 1 0 339.823 2.783 10 5 EFBERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001441480512 1391331148 /nfs/dbraw/zinc/33/11/48/1391331148.db2.gz LGEGCIKSSAGIMB-KBPBESRZSA-N 1 0 348.447 2.665 10 5 EFBERO CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001454874761 1394337162 /nfs/dbraw/zinc/33/71/62/1394337162.db2.gz IWPMJXVIKQVUCR-INIZCTEOSA-N 1 0 329.331 2.650 10 5 EFBERO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC001457529990 1395189020 /nfs/dbraw/zinc/18/90/20/1395189020.db2.gz AKFAOJFOJQCJTO-LBPRGKRZSA-N 1 0 342.399 2.544 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)cc1C ZINC001458144462 1395414629 /nfs/dbraw/zinc/41/46/29/1395414629.db2.gz GFHAMDJLLPHUIK-UHFFFAOYSA-N 1 0 335.404 2.834 10 5 EFBERO Nc1cc(CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc[nH+]1 ZINC001458663631 1395543256 /nfs/dbraw/zinc/54/32/56/1395543256.db2.gz CDZKLVTXDQPJKY-UHFFFAOYSA-N 1 0 326.360 2.883 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458721537 1395563076 /nfs/dbraw/zinc/56/30/76/1395563076.db2.gz WPXXGRXMOXGOLN-GFCCVEGCSA-N 1 0 345.359 2.582 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001458835427 1395614447 /nfs/dbraw/zinc/61/44/47/1395614447.db2.gz HLFOYFDAGACMNS-ZIAGYGMSSA-N 1 0 346.431 2.681 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001459881016 1395988630 /nfs/dbraw/zinc/98/86/30/1395988630.db2.gz IINDVLWYAJJRLX-UHFFFAOYSA-N 1 0 345.359 2.673 10 5 EFBERO CC(C)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC001460001395 1395996712 /nfs/dbraw/zinc/99/67/12/1395996712.db2.gz WQXNLJBFUZAKBO-HNNXBMFYSA-N 1 0 349.431 2.552 10 5 EFBERO CC[N@H+]1[C@H](C)CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001460326674 1396025446 /nfs/dbraw/zinc/02/54/46/1396025446.db2.gz CALPDXLEABXQAU-TXEJJXNPSA-N 1 0 325.384 2.657 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460343453 1396027827 /nfs/dbraw/zinc/02/78/27/1396027827.db2.gz YWXFZJIQCHQBOR-AAEUAGOBSA-N 1 0 334.376 2.532 10 5 EFBERO CC(=O)Nc1cccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001460617109 1396239319 /nfs/dbraw/zinc/23/93/19/1396239319.db2.gz AAQZRLDSBORXEY-GOSISDBHSA-N 1 0 343.383 2.551 10 5 EFBERO COC(=O)c1ccc2c(c1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001460716924 1396245178 /nfs/dbraw/zinc/24/51/78/1396245178.db2.gz QJDRTVNSSGDVNL-UHFFFAOYSA-N 1 0 340.379 2.982 10 5 EFBERO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001460742256 1396248776 /nfs/dbraw/zinc/24/87/76/1396248776.db2.gz CEQVEUTVNHGANM-LLVKDONJSA-N 1 0 331.347 2.992 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001464911235 1396630164 /nfs/dbraw/zinc/63/01/64/1396630164.db2.gz PNWSHZWCPFWALH-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001465296349 1396667332 /nfs/dbraw/zinc/66/73/32/1396667332.db2.gz LLCLVVVUANLNFD-ZDUSSCGKSA-N 1 0 335.379 2.600 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001466596409 1396763928 /nfs/dbraw/zinc/76/39/28/1396763928.db2.gz CIXRMPPZILZGQJ-UHFFFAOYSA-N 1 0 333.432 2.622 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001468089245 1396925956 /nfs/dbraw/zinc/92/59/56/1396925956.db2.gz NZELYECXMCRGBS-OAHLLOKOSA-N 1 0 345.443 2.959 10 5 EFBERO Nc1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1[N+](=O)[O-] ZINC001468693081 1396980163 /nfs/dbraw/zinc/98/01/63/1396980163.db2.gz YOOYMKRXSADPSW-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001470796605 1397122803 /nfs/dbraw/zinc/12/28/03/1397122803.db2.gz QEANQKAJSABZBV-HNNXBMFYSA-N 1 0 348.447 2.823 10 5 EFBERO CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001471241026 1397152504 /nfs/dbraw/zinc/15/25/04/1397152504.db2.gz YWMAONPQZMEVIJ-OAHLLOKOSA-N 1 0 339.823 2.589 10 5 EFBERO CC[C@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472655691 1397266780 /nfs/dbraw/zinc/26/67/80/1397266780.db2.gz XDTUIDTYIPOKDF-CYBMUJFWSA-N 1 0 344.415 2.860 10 5 EFBERO CO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001473485527 1397305323 /nfs/dbraw/zinc/30/53/23/1397305323.db2.gz XZKAZDDQQNCERL-OLZOCXBDSA-N 1 0 332.360 2.548 10 5 EFBERO COC1(c2nccn2C)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001473765279 1397329707 /nfs/dbraw/zinc/32/97/07/1397329707.db2.gz FCZWRMCQIIDFRR-UHFFFAOYSA-N 1 0 344.415 2.774 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001473898873 1397347800 /nfs/dbraw/zinc/34/78/00/1397347800.db2.gz FWAHDCZCEVHMDD-KRWDZBQOSA-N 1 0 334.372 2.521 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@H]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC001473899557 1397348118 /nfs/dbraw/zinc/34/81/18/1397348118.db2.gz PFOXZRIGTIJTHS-INIZCTEOSA-N 1 0 344.415 2.934 10 5 EFBERO Cc1nscc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001479767336 1397830024 /nfs/dbraw/zinc/83/00/24/1397830024.db2.gz NGGMBRWCSAXTRP-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCC[N@H+](CCNC(=O)c1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001493313171 1398606378 /nfs/dbraw/zinc/60/63/78/1398606378.db2.gz BJJXMBLFZJQNFV-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001493706707 1398822810 /nfs/dbraw/zinc/82/28/10/1398822810.db2.gz NDZCMDSGPDGVRG-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1cccc(F)c1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001493813168 1398899600 /nfs/dbraw/zinc/89/96/00/1398899600.db2.gz VNFBWZBXPUTGKC-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO O=C(NC1(C[NH2+]CCCC2CCCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495160840 1399706603 /nfs/dbraw/zinc/70/66/03/1399706603.db2.gz MGGRORORXLMLGB-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1O ZINC001497352396 1401322534 /nfs/dbraw/zinc/32/25/34/1401322534.db2.gz UAJATDOYSCEXLH-UHFFFAOYSA-N 1 0 343.383 2.552 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccoc1C ZINC001497352799 1401323331 /nfs/dbraw/zinc/32/33/31/1401323331.db2.gz NAUHSUAVJSANJC-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1coc(C)c1 ZINC001497374820 1401335704 /nfs/dbraw/zinc/33/57/04/1401335704.db2.gz NCDMNJGQDFXEMZ-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO Cc1cccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001497521671 1401434444 /nfs/dbraw/zinc/43/44/44/1401434444.db2.gz OUEVLLZCBSVMAE-NSCUHMNNSA-N 1 0 339.395 2.979 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1occc1Cl ZINC001497671497 1401537735 /nfs/dbraw/zinc/53/77/35/1401537735.db2.gz MBPHGYLZQKEKAT-OWOJBTEDSA-N 1 0 349.774 2.917 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1occc1Cl ZINC001497671498 1401538269 /nfs/dbraw/zinc/53/82/69/1401538269.db2.gz MBPHGYLZQKEKAT-UPHRSURJSA-N 1 0 349.774 2.917 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccc[nH]1 ZINC001498536303 1402165362 /nfs/dbraw/zinc/16/53/62/1402165362.db2.gz IOCKGUPVJKIGBM-KTKRTIGZSA-N 1 0 342.399 2.574 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)co1 ZINC001501943002 1403894531 /nfs/dbraw/zinc/89/45/31/1403894531.db2.gz XSWCNZFDVAQIFF-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO Cc1c[nH]cc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001502026865 1403957463 /nfs/dbraw/zinc/95/74/63/1403957463.db2.gz VZHNEIUKKNGTNV-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001556236567 1415060090 /nfs/dbraw/zinc/06/00/90/1415060090.db2.gz MHOODHZPXOFHBB-UHFFFAOYSA-N 1 0 337.395 2.990 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001556397269 1415067395 /nfs/dbraw/zinc/06/73/95/1415067395.db2.gz MKJLQXXEVLDJQQ-OAHLLOKOSA-N 1 0 346.431 2.825 10 5 EFBERO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001557326960 1415121169 /nfs/dbraw/zinc/12/11/69/1415121169.db2.gz UQNKKVCJPMFYSB-UHFFFAOYSA-N 1 0 335.323 2.803 10 5 EFBERO C[NH+]1CCC(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001559091328 1415223301 /nfs/dbraw/zinc/22/33/01/1415223301.db2.gz LONUBBQMIKFEIR-UHFFFAOYSA-N 1 0 334.807 2.972 10 5 EFBERO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001559123940 1415225628 /nfs/dbraw/zinc/22/56/28/1415225628.db2.gz BZTNXLFWIUHKAS-UHFFFAOYSA-N 1 0 334.420 2.631 10 5 EFBERO O=[N+]([O-])c1cc(F)c(N2CC[NH2+][C@H](Cc3ccccc3)C2)c(F)c1 ZINC001559266047 1415234773 /nfs/dbraw/zinc/23/47/73/1415234773.db2.gz MWJPZXHSOWDCTB-CYBMUJFWSA-N 1 0 333.338 2.894 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001559665142 1415252473 /nfs/dbraw/zinc/25/24/73/1415252473.db2.gz DJACXMAUJBPZCE-NWDGAFQWSA-N 1 0 339.342 2.819 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686427 1415252533 /nfs/dbraw/zinc/25/25/33/1415252533.db2.gz CBCQUEFBOUZYQV-LLVKDONJSA-N 1 0 333.348 2.667 10 5 EFBERO CCOC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC001560037261 1415261481 /nfs/dbraw/zinc/26/14/81/1415261481.db2.gz AMNBNZSECPGWMS-CQSZACIVSA-N 1 0 342.342 2.658 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1c(C)nn(C)c1C ZINC001560618337 1415292133 /nfs/dbraw/zinc/29/21/33/1415292133.db2.gz QEECWTDBNIBHFS-FWVUHSSSSA-N 1 0 344.415 2.672 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001564717686 1415381245 /nfs/dbraw/zinc/38/12/45/1415381245.db2.gz PUYGHXALHVUSMX-CABCVRRESA-N 1 0 348.447 2.872 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001565842536 1415430244 /nfs/dbraw/zinc/43/02/44/1415430244.db2.gz ZPRLDBOKWFIXFB-UKUVYACNSA-N 1 0 331.416 2.936 10 5 EFBERO C[C@H]1C[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001566167057 1415533382 /nfs/dbraw/zinc/53/33/82/1415533382.db2.gz UBPOVRKLGUPGTM-WCQYABFASA-N 1 0 342.399 2.543 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001566781955 1415773243 /nfs/dbraw/zinc/77/32/43/1415773243.db2.gz PMVCWMFAFSLHCY-SHTZXODSSA-N 1 0 343.383 2.557 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566801199 1415779329 /nfs/dbraw/zinc/77/93/29/1415779329.db2.gz QWQVUHHLIVKIQK-VBBNOBIOSA-N 1 0 329.400 2.854 10 5 EFBERO C[N@H+](CCNC(=O)c1cccc(F)c1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001567300351 1416063049 /nfs/dbraw/zinc/06/30/49/1416063049.db2.gz LGZMUUFRCYAQBJ-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(C)(F)F)CC1 ZINC001567561699 1416188783 /nfs/dbraw/zinc/18/87/83/1416188783.db2.gz ZXIBXUDONQAEMX-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO O=C(NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001568123285 1416419219 /nfs/dbraw/zinc/41/92/19/1416419219.db2.gz SIIHZGBSMZEWRN-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)C1CCC1 ZINC001568229893 1416448869 /nfs/dbraw/zinc/44/88/69/1416448869.db2.gz PEHSFZHBLOOJJU-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001568403525 1416516852 /nfs/dbraw/zinc/51/68/52/1416516852.db2.gz MXNGYSIAQIWAJZ-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001685527311 1416766352 /nfs/dbraw/zinc/76/63/52/1416766352.db2.gz HBYREHAROADYKU-ILXRZTDVSA-N 1 0 348.447 2.822 10 5 EFBERO C[N@H+](CCCNC(=O)CC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001712969889 1418309687 /nfs/dbraw/zinc/30/96/87/1418309687.db2.gz PCYOAKVJKFHINX-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CCc1[nH]ccc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715812863 1418684396 /nfs/dbraw/zinc/68/43/96/1418684396.db2.gz AKDGFILYAPDMQU-UHFFFAOYSA-N 1 0 344.415 2.689 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C)sn1 ZINC001716215039 1418725417 /nfs/dbraw/zinc/72/54/17/1418725417.db2.gz RLVTVSBHEDGCLU-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001716265750 1418748381 /nfs/dbraw/zinc/74/83/81/1418748381.db2.gz PNVOJMXGKLAQAO-OWOJBTEDSA-N 1 0 331.397 2.732 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716289957 1418753861 /nfs/dbraw/zinc/75/38/61/1418753861.db2.gz NUWSDIFYRMDQKK-ONEGZZNKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1C=CC=CC=C1 ZINC001716299079 1418758923 /nfs/dbraw/zinc/75/89/23/1418758923.db2.gz HBVVQLRSSKBFER-FPLPWBNLSA-N 1 0 339.395 2.655 10 5 EFBERO CC/C(C)=C/C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001717010187 1419146217 /nfs/dbraw/zinc/14/62/17/1419146217.db2.gz UOOABYHTBKSMNV-NKRZIZCBSA-N 1 0 343.427 2.841 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001717203227 1419263939 /nfs/dbraw/zinc/26/39/39/1419263939.db2.gz NIUBUDGQLBKEOH-UHFFFAOYSA-N 1 0 329.347 2.530 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(F)(F)F ZINC001717204502 1419265306 /nfs/dbraw/zinc/26/53/06/1419265306.db2.gz DOBIPURRLNGGNP-UHFFFAOYSA-N 1 0 347.337 2.828 10 5 EFBERO Cc1cc(C)c(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001723509244 1424515321 /nfs/dbraw/zinc/51/53/21/1424515321.db2.gz PEJOZXBSSUTSLB-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO CC(C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)=C1CCC1 ZINC001723514858 1424516128 /nfs/dbraw/zinc/51/61/28/1424516128.db2.gz ODNRERKUCQITGV-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO O=C(CCC1CC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001724781864 1425009049 /nfs/dbraw/zinc/00/90/49/1425009049.db2.gz FENWBEFNYUVFJP-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001724856442 1425073895 /nfs/dbraw/zinc/07/38/95/1425073895.db2.gz BLVJBFPPPMGNHW-UHFFFAOYSA-N 1 0 345.399 2.711 10 5 EFBERO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723885015 714999004 /nfs/dbraw/zinc/99/90/04/714999004.db2.gz YAPGDPOXKCLRFU-NXEZZACHSA-N 1 0 328.210 2.778 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000924377348 715025884 /nfs/dbraw/zinc/02/58/84/715025884.db2.gz MHZHWNDIAIJWNG-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3C[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000176193257 715179825 /nfs/dbraw/zinc/17/98/25/715179825.db2.gz ZSRKDSPDLYHPFY-GJZGRUSLSA-N 1 0 327.388 2.933 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000893447906 715514612 /nfs/dbraw/zinc/51/46/12/715514612.db2.gz MPSPPIQVNZHFDY-AWEZNQCLSA-N 1 0 340.383 2.649 10 5 EFBERO CC[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893450941 715540898 /nfs/dbraw/zinc/54/08/98/715540898.db2.gz PFXZXXWALLREFZ-CJNGLKHVSA-N 1 0 334.420 2.687 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893450942 715541562 /nfs/dbraw/zinc/54/15/62/715541562.db2.gz PFXZXXWALLREFZ-CZUORRHYSA-N 1 0 334.420 2.687 10 5 EFBERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000311533915 718751297 /nfs/dbraw/zinc/75/12/97/718751297.db2.gz YOZNASXUQJJONW-ONGXEEELSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[NH+]2CCC1CC2 ZINC000892762391 719134903 /nfs/dbraw/zinc/13/49/03/719134903.db2.gz HCDNTOCFVIJRLY-LJQANCHMSA-N 1 0 339.395 2.962 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000311929332 719264263 /nfs/dbraw/zinc/26/42/63/719264263.db2.gz DANAYASXMJXBSO-CYBMUJFWSA-N 1 0 326.194 2.547 10 5 EFBERO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000312031286 719750131 /nfs/dbraw/zinc/75/01/31/719750131.db2.gz XTDHJGYLCKBWDN-NOZJJQNGSA-N 1 0 328.210 2.778 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000925515638 719823958 /nfs/dbraw/zinc/82/39/58/719823958.db2.gz VHSPRNMRIZHVGV-AWEZNQCLSA-N 1 0 326.780 2.676 10 5 EFBERO C[C@@H]1CC[C@@H](O)CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930749440 720483551 /nfs/dbraw/zinc/48/35/51/720483551.db2.gz HSGLWJKJXDMZLH-BXKDBHETSA-N 1 0 329.194 2.703 10 5 EFBERO C[C@H]([NH3+])CN(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000312452493 720512801 /nfs/dbraw/zinc/51/28/01/720512801.db2.gz YVKNESNYZGJMOJ-QMMMGPOBSA-N 1 0 339.193 2.689 10 5 EFBERO C[C@H]1C[N@H+](CCCOC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000893389455 721278036 /nfs/dbraw/zinc/27/80/36/721278036.db2.gz LSXXQRYSGSAROR-NSHDSACASA-N 1 0 342.779 2.516 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1Cl ZINC000261991285 722670613 /nfs/dbraw/zinc/67/06/13/722670613.db2.gz SJUUNNJZQGEDAO-INIZCTEOSA-N 1 0 332.791 2.790 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1Cl ZINC000261991287 722670621 /nfs/dbraw/zinc/67/06/21/722670621.db2.gz SJUUNNJZQGEDAO-MRXNPFEDSA-N 1 0 332.791 2.790 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896911973 723863551 /nfs/dbraw/zinc/86/35/51/723863551.db2.gz KYQYJNJRQIZPJV-DIFFPNOSSA-N 1 0 330.363 2.670 10 5 EFBERO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCOC1 ZINC000895664802 724246248 /nfs/dbraw/zinc/24/62/48/724246248.db2.gz WMOACQOBKPGJSZ-YOEHRIQHSA-N 1 0 348.447 2.753 10 5 EFBERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895785641 724312975 /nfs/dbraw/zinc/31/29/75/724312975.db2.gz ZMTKRKSHANTIGQ-OSRSDYAFSA-N 1 0 330.432 2.840 10 5 EFBERO C[N@@H+]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000895800104 724323027 /nfs/dbraw/zinc/32/30/27/724323027.db2.gz ZRKWRBGOEFVVEV-ROUUACIJSA-N 1 0 339.395 2.904 10 5 EFBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814364 725875933 /nfs/dbraw/zinc/87/59/33/725875933.db2.gz UPNBOTNFTGBDDP-RYUDHWBXSA-N 1 0 341.770 2.696 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000906797364 726800078 /nfs/dbraw/zinc/80/00/78/726800078.db2.gz HWDZEVCGZYXJPU-AAEUAGOBSA-N 1 0 339.823 2.780 10 5 EFBERO C[N@H+]1CC=C(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907226922 726893661 /nfs/dbraw/zinc/89/36/61/726893661.db2.gz MBDMHMAMOZSWLS-UHFFFAOYSA-N 1 0 337.807 2.559 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907518340 726962548 /nfs/dbraw/zinc/96/25/48/726962548.db2.gz GLCHJCDNTKCHGV-HUUCEWRRSA-N 1 0 339.823 2.780 10 5 EFBERO C[NH+](C)C1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000907609310 726970322 /nfs/dbraw/zinc/97/03/22/726970322.db2.gz SGONPJKSZGXDBP-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000732578159 727163659 /nfs/dbraw/zinc/16/36/59/727163659.db2.gz HXOIRWNGEKPRJA-CYBMUJFWSA-N 1 0 337.807 2.949 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000912651434 727732580 /nfs/dbraw/zinc/73/25/80/727732580.db2.gz VUSWZWPHVFBHEU-CHWSQXEVSA-N 1 0 334.420 2.512 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000912871450 727753219 /nfs/dbraw/zinc/75/32/19/727753219.db2.gz SYLHGNASXZRYOF-UHFFFAOYSA-N 1 0 347.415 2.692 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875757 727753799 /nfs/dbraw/zinc/75/37/99/727753799.db2.gz OVCUPKANHZRULZ-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911670 727757755 /nfs/dbraw/zinc/75/77/55/727757755.db2.gz MHTCWKHNQGZSPG-ZDUSSCGKSA-N 1 0 335.429 2.627 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916604 727758353 /nfs/dbraw/zinc/75/83/53/727758353.db2.gz ZHKMUWXGCOSQGJ-LLVKDONJSA-N 1 0 343.305 2.534 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903885 727759566 /nfs/dbraw/zinc/75/95/66/727759566.db2.gz OZDQFZUUVAVZMQ-CQSZACIVSA-N 1 0 325.368 2.668 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913274676 727812195 /nfs/dbraw/zinc/81/21/95/727812195.db2.gz OQOZUURXLARTSD-HDICACEKSA-N 1 0 331.416 2.625 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913281831 727814849 /nfs/dbraw/zinc/81/48/49/727814849.db2.gz CPGGQJDFTRHAMG-RTBURBONSA-N 1 0 345.443 2.673 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@]2(C)C1 ZINC000913284852 727815725 /nfs/dbraw/zinc/81/57/25/727815725.db2.gz RQPLAEJQQVAXSX-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913293720 727818207 /nfs/dbraw/zinc/81/82/07/727818207.db2.gz CJAXZMKBGZWXHS-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000913294613 727818342 /nfs/dbraw/zinc/81/83/42/727818342.db2.gz ZQQFXOOHBLWCOR-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@@]2(C)C1 ZINC000913296249 727818478 /nfs/dbraw/zinc/81/84/78/727818478.db2.gz XYGCCSQAYSCQJU-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO CC(C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000913385371 727830930 /nfs/dbraw/zinc/83/09/30/727830930.db2.gz YUUBSCLETSHLRX-CYBMUJFWSA-N 1 0 331.775 2.590 10 5 EFBERO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000913385360 727830959 /nfs/dbraw/zinc/83/09/59/727830959.db2.gz YPLOJEIUQRSNHM-GFCCVEGCSA-N 1 0 341.770 2.630 10 5 EFBERO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000913534599 727865074 /nfs/dbraw/zinc/86/50/74/727865074.db2.gz BXAGEZJKQSHMDN-GASCZTMLSA-N 1 0 347.418 2.600 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000232459739 728664831 /nfs/dbraw/zinc/66/48/31/728664831.db2.gz HEUAEYCVUXHYBA-JTQLQIEISA-N 1 0 329.194 2.874 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1Cl ZINC000783626229 1126109681 /nfs/dbraw/zinc/10/96/81/1126109681.db2.gz LCMXPDMVDUBMTA-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1sccc1F ZINC001569398844 1085179918 /nfs/dbraw/zinc/17/99/18/1085179918.db2.gz ROKRVSVDGFMHCX-UHFFFAOYSA-N 1 0 349.387 2.848 10 5 EFBERO CC(F)(F)CCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001569406934 1085185934 /nfs/dbraw/zinc/18/59/34/1085185934.db2.gz YAKLVULBFXYKJJ-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001570102022 1085950131 /nfs/dbraw/zinc/95/01/31/1085950131.db2.gz ZDSZIPZXBPHQEC-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC001570233451 1086073362 /nfs/dbraw/zinc/07/33/62/1086073362.db2.gz WULFXGMELYULMF-UHFFFAOYSA-N 1 0 331.376 2.503 10 5 EFBERO CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001570485553 1086279017 /nfs/dbraw/zinc/27/90/17/1086279017.db2.gz LYSGJFRAHGNJLB-HZPDHXFCSA-N 1 0 337.464 2.546 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001570618669 1086411492 /nfs/dbraw/zinc/41/14/92/1086411492.db2.gz JPNDQPCEFFDJKC-LSDHHAIUSA-N 1 0 342.399 2.602 10 5 EFBERO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)CCCF)CC1 ZINC001571333153 1086732724 /nfs/dbraw/zinc/73/27/24/1086732724.db2.gz HLMFDQQGKMRUDJ-UHFFFAOYSA-N 1 0 343.424 2.829 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001646586239 1087894052 /nfs/dbraw/zinc/89/40/52/1087894052.db2.gz IVTOXVTXKHPLHW-CQSZACIVSA-N 1 0 339.823 2.637 10 5 EFBERO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001647591425 1089586156 /nfs/dbraw/zinc/58/61/56/1089586156.db2.gz ZSPMTPSSSGPUHT-JSGCOSHPSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1ccc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001647788440 1089877966 /nfs/dbraw/zinc/87/79/66/1089877966.db2.gz ZAUYYVOLJCLSCR-KRWDZBQOSA-N 1 0 347.459 2.978 10 5 EFBERO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001647926663 1089912175 /nfs/dbraw/zinc/91/21/75/1089912175.db2.gz FFDYRSWRDXJSQY-YABSGUDNSA-N 1 0 330.215 2.893 10 5 EFBERO C[C@@](CO)([NH2+]C[Si](C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001648016667 1089930849 /nfs/dbraw/zinc/93/08/49/1089930849.db2.gz AICCEHAOMOCTDP-SFHVURJKSA-N 1 0 344.487 2.547 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001583736696 1092063243 /nfs/dbraw/zinc/06/32/43/1092063243.db2.gz ORQUUXOTMYKBBQ-AWEZNQCLSA-N 1 0 349.431 2.844 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2c[nH+]cn2c1 ZINC001584524404 1092187746 /nfs/dbraw/zinc/18/77/46/1092187746.db2.gz XHMXQQQSXOIAOL-UHFFFAOYSA-N 1 0 344.758 2.755 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001648412886 1092213292 /nfs/dbraw/zinc/21/32/92/1092213292.db2.gz SLIWIIQDWRVVPB-ZDUSSCGKSA-N 1 0 342.399 2.544 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648591952 1092236973 /nfs/dbraw/zinc/23/69/73/1092236973.db2.gz SWDJBOYQUCYZBC-CEXWTWQISA-N 1 0 347.459 2.823 10 5 EFBERO CC[C@H](c1ccccc1)[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001167508081 1092498902 /nfs/dbraw/zinc/49/89/02/1092498902.db2.gz DEDRZLBYEDOCGV-QGZVFWFLSA-N 1 0 343.431 2.597 10 5 EFBERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001585916291 1092620578 /nfs/dbraw/zinc/62/05/78/1092620578.db2.gz ACGAKCFXWFQMBB-CQSZACIVSA-N 1 0 348.447 2.929 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001586631908 1092748900 /nfs/dbraw/zinc/74/89/00/1092748900.db2.gz WTGCCCYIGRHGNW-AAEUAGOBSA-N 1 0 339.823 2.732 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001587990221 1092879498 /nfs/dbraw/zinc/87/94/98/1092879498.db2.gz KSVQTKBRFVZSBR-ZIAGYGMSSA-N 1 0 347.415 2.550 10 5 EFBERO C[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001267226365 1093272645 /nfs/dbraw/zinc/27/26/45/1093272645.db2.gz GRRDKYNMSNDXRT-KOMQPUFPSA-N 1 0 333.432 2.969 10 5 EFBERO CCN(CCNC(=O)C1C=CC=CC=C1)Cc1ccccc1[N+](=O)[O-] ZINC001267242212 1093343029 /nfs/dbraw/zinc/34/30/29/1093343029.db2.gz DUOADKPSBJCSKJ-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CC[N@H+](Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1)C(C)C ZINC001595858765 1094499304 /nfs/dbraw/zinc/49/93/04/1094499304.db2.gz JBOHSXPXASVZPC-UHFFFAOYSA-N 1 0 331.376 2.801 10 5 EFBERO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001595859037 1094499484 /nfs/dbraw/zinc/49/94/84/1094499484.db2.gz UPTDLTLEVLCMAN-UHFFFAOYSA-N 1 0 331.376 2.802 10 5 EFBERO CC(C)c1ocnc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267452744 1094542237 /nfs/dbraw/zinc/54/22/37/1094542237.db2.gz RKFGEJBQJSLYNN-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1Br ZINC000690774832 1094571705 /nfs/dbraw/zinc/57/17/05/1094571705.db2.gz NQRPYXQYCUWBIN-NWDGAFQWSA-N 1 0 341.205 2.826 10 5 EFBERO C/C(=C\C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785226819 1094667149 /nfs/dbraw/zinc/66/71/49/1094667149.db2.gz YONHYJJNVMTHNC-ZQHYZAEZSA-N 1 0 331.416 2.989 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001480962011 1095579757 /nfs/dbraw/zinc/57/97/57/1095579757.db2.gz XBQCFFVVSYMXGI-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480970072 1095620645 /nfs/dbraw/zinc/62/06/45/1095620645.db2.gz QAPIMEGGDNKJSP-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccncc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480973063 1095628924 /nfs/dbraw/zinc/62/89/24/1095628924.db2.gz BMYSZASCJIESPE-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC[N@H+](CCNC(=O)c1cc(C)co1)Cc1cccc([N+](=O)[O-])c1 ZINC001480994743 1095701677 /nfs/dbraw/zinc/70/16/77/1095701677.db2.gz SPBZXAOLTLLWIK-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001603046759 1096424787 /nfs/dbraw/zinc/42/47/87/1096424787.db2.gz XMTWPAGUUPYWGU-AWEZNQCLSA-N 1 0 332.404 2.831 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001268506597 1097057576 /nfs/dbraw/zinc/05/75/76/1097057576.db2.gz RNWSIWMZKXIFAV-ARJAWSKDSA-N 1 0 343.358 2.810 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1 ZINC001268511479 1097101077 /nfs/dbraw/zinc/10/10/77/1097101077.db2.gz KYPYSULYLWUSJH-OWOJBTEDSA-N 1 0 349.774 2.917 10 5 EFBERO CCc1occc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268536458 1097143057 /nfs/dbraw/zinc/14/30/57/1097143057.db2.gz MABVXAQXEOOZRI-ARJAWSKDSA-N 1 0 343.383 2.826 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001268600091 1097446582 /nfs/dbraw/zinc/44/65/82/1097446582.db2.gz YIEVEGXPFIRZNI-AATRIKPKSA-N 1 0 342.399 2.616 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)n1 ZINC001606983913 1097489458 /nfs/dbraw/zinc/48/94/58/1097489458.db2.gz XVIVUNAQVAPVTO-WBVHZDCISA-N 1 0 346.431 2.633 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1O ZINC001268780126 1097629420 /nfs/dbraw/zinc/62/94/20/1097629420.db2.gz POQIEBNALVSMET-UHFFFAOYSA-N 1 0 343.383 2.552 10 5 EFBERO Cc1cccnc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268800230 1097647250 /nfs/dbraw/zinc/64/72/50/1097647250.db2.gz RBEWJQSPCRFSFQ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001648952646 1097665084 /nfs/dbraw/zinc/66/50/84/1097665084.db2.gz YXQLOKBVBOELGT-OAHLLOKOSA-N 1 0 346.431 2.704 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(F)F ZINC001268842391 1097679916 /nfs/dbraw/zinc/67/99/16/1097679916.db2.gz HCQXRORQOGRJID-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)o1 ZINC001269375340 1098094820 /nfs/dbraw/zinc/09/48/20/1098094820.db2.gz VLJYMMLKMDGSQD-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO CC(C)C(=O)NCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270094606 1098688486 /nfs/dbraw/zinc/68/84/86/1098688486.db2.gz FHHQAKVERNJISM-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C[NH+](C)[C@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001611940051 1099038941 /nfs/dbraw/zinc/03/89/41/1099038941.db2.gz XHFJPRVXYXDBMT-CQSZACIVSA-N 1 0 334.807 2.970 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC001613093010 1099090003 /nfs/dbraw/zinc/09/00/03/1099090003.db2.gz SLWPZEBZQWHKCU-AWEZNQCLSA-N 1 0 333.338 2.894 10 5 EFBERO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC001617104686 1099212526 /nfs/dbraw/zinc/21/25/26/1099212526.db2.gz WVCILNUGVYYSDN-OCCSQVGLSA-N 1 0 332.360 2.692 10 5 EFBERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785267464 1099249398 /nfs/dbraw/zinc/24/93/98/1099249398.db2.gz RYMFTUYJZMVJQE-PLFFATQSSA-N 1 0 331.416 2.989 10 5 EFBERO O=C(CC[NH2+]CC1(C2(O)CCC2)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001620572074 1099360751 /nfs/dbraw/zinc/36/07/51/1099360751.db2.gz PZSWXRUELKJNPA-UHFFFAOYSA-N 1 0 347.415 2.598 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nncn2C)CC1 ZINC001620595700 1099362286 /nfs/dbraw/zinc/36/22/86/1099362286.db2.gz JSEVODLHTDBSJE-ZDUSSCGKSA-N 1 0 329.404 2.739 10 5 EFBERO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583481 1099362384 /nfs/dbraw/zinc/36/23/84/1099362384.db2.gz MHLAQIOYBLVARL-KBXCAEBGSA-N 1 0 333.432 2.577 10 5 EFBERO CSc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001623332216 1099576503 /nfs/dbraw/zinc/57/65/03/1099576503.db2.gz QXPZIXPFHIFZSZ-UHFFFAOYSA-N 1 0 337.445 2.778 10 5 EFBERO C/C(=C\C(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785302925 1099730968 /nfs/dbraw/zinc/73/09/68/1099730968.db2.gz MKUXPKZIDMMUBY-WYMLVPIESA-N 1 0 331.416 2.989 10 5 EFBERO C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001624970034 1099757044 /nfs/dbraw/zinc/75/70/44/1099757044.db2.gz NKLSDJDEZQCGIO-NSHDSACASA-N 1 0 337.807 2.557 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001625594689 1099830444 /nfs/dbraw/zinc/83/04/44/1099830444.db2.gz PFKZDOXVMCCTHH-DGCLKSJQSA-N 1 0 337.395 2.893 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001627765647 1100031525 /nfs/dbraw/zinc/03/15/25/1100031525.db2.gz YILRXYIXRXHNIJ-ZDUSSCGKSA-N 1 0 339.823 2.781 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001627976431 1100046878 /nfs/dbraw/zinc/04/68/78/1100046878.db2.gz YTLUCTAVRNVWLC-PHIMTYICSA-N 1 0 325.796 2.803 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001629245295 1100186692 /nfs/dbraw/zinc/18/66/92/1100186692.db2.gz UACUQGHRXICVFD-UHFFFAOYSA-N 1 0 331.775 2.849 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001629345223 1100202369 /nfs/dbraw/zinc/20/23/69/1100202369.db2.gz REBZXDKUAASPCO-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001630445590 1100307830 /nfs/dbraw/zinc/30/78/30/1100307830.db2.gz IMLQCKRJLMKOBN-CABCVRRESA-N 1 0 341.367 2.534 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1 ZINC001631683325 1100419487 /nfs/dbraw/zinc/41/94/87/1100419487.db2.gz ZCONGRZKNTWMMW-KFWWJZLASA-N 1 0 346.431 2.776 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001634551332 1100615269 /nfs/dbraw/zinc/61/52/69/1100615269.db2.gz CWLRJOVUBKPKTB-UHFFFAOYSA-N 1 0 337.395 2.894 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687087 1100623961 /nfs/dbraw/zinc/62/39/61/1100623961.db2.gz QOIBBCMMULCIOQ-XJKSGUPXSA-N 1 0 342.399 2.563 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687083 1100623981 /nfs/dbraw/zinc/62/39/81/1100623981.db2.gz QOIBBCMMULCIOQ-CJNGLKHVSA-N 1 0 342.399 2.563 10 5 EFBERO C[C@@H](CC[NH+](C)C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001634771931 1100629383 /nfs/dbraw/zinc/62/93/83/1100629383.db2.gz UBVFNMWUUCKMRI-VIFPVBQESA-N 1 0 331.775 2.591 10 5 EFBERO O=C(c1ccc(C[NH+]2CCCC2)o1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001634843605 1100632088 /nfs/dbraw/zinc/63/20/88/1100632088.db2.gz WSHUGFNGSYJIPL-UHFFFAOYSA-N 1 0 341.367 2.940 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001635295067 1100653244 /nfs/dbraw/zinc/65/32/44/1100653244.db2.gz PJTVGUZYKFKEBL-OAHLLOKOSA-N 1 0 346.431 2.704 10 5 EFBERO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c[nH+]cn2c1 ZINC001636203833 1100707280 /nfs/dbraw/zinc/70/72/80/1100707280.db2.gz UBFHCFIPZCVWOE-UHFFFAOYSA-N 1 0 326.312 2.650 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001637912888 1100817153 /nfs/dbraw/zinc/81/71/53/1100817153.db2.gz POSZBRGXESOIFN-JTQLQIEISA-N 1 0 329.759 2.554 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001639116271 1100914910 /nfs/dbraw/zinc/91/49/10/1100914910.db2.gz FZCCZMOYABRSPC-HUUCEWRRSA-N 1 0 342.399 2.543 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001639267344 1100931574 /nfs/dbraw/zinc/93/15/74/1100931574.db2.gz WXKFQSIJVBSOEN-HNNXBMFYSA-N 1 0 342.399 2.603 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001639266954 1100931609 /nfs/dbraw/zinc/93/16/09/1100931609.db2.gz RCFMIRXHKBGWQR-GFCCVEGCSA-N 1 0 325.796 2.708 10 5 EFBERO COCC[N@@H+]1CC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639488881 1100954979 /nfs/dbraw/zinc/95/49/79/1100954979.db2.gz GIZMRHVNCRYWJT-SNVBAGLBSA-N 1 0 333.310 2.746 10 5 EFBERO C[N@H+]1CC=C(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001639696297 1100975136 /nfs/dbraw/zinc/97/51/36/1100975136.db2.gz WBCBDXXFVLWJBE-UHFFFAOYSA-N 1 0 332.791 2.892 10 5 EFBERO CCOc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC001640396536 1101042550 /nfs/dbraw/zinc/04/25/50/1101042550.db2.gz NOVKITSFLKKNBC-DZGCQCFKSA-N 1 0 337.445 2.985 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001640638804 1101067634 /nfs/dbraw/zinc/06/76/34/1101067634.db2.gz LWJLMNRPKPAEJL-UHFFFAOYSA-N 1 0 337.339 2.746 10 5 EFBERO CC(C)C1CCC([NH+]2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)CC1 ZINC001641967410 1101179989 /nfs/dbraw/zinc/17/99/89/1101179989.db2.gz YUQJWAJFFFJEDM-UHFFFAOYSA-N 1 0 349.479 2.661 10 5 EFBERO Cc1ncsc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001642106062 1101190944 /nfs/dbraw/zinc/19/09/44/1101190944.db2.gz VLCZRSGOVSORTP-ZDUSSCGKSA-N 1 0 347.444 2.874 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001642418159 1101211872 /nfs/dbraw/zinc/21/18/72/1101211872.db2.gz VCDFDGRZOQKLME-HOTGVXAUSA-N 1 0 331.416 2.814 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001642909064 1101254902 /nfs/dbraw/zinc/25/49/02/1101254902.db2.gz GPIRJMHFAIYJPS-HNNXBMFYSA-N 1 0 347.415 2.827 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001642909065 1101255047 /nfs/dbraw/zinc/25/50/47/1101255047.db2.gz GPIRJMHFAIYJPS-OAHLLOKOSA-N 1 0 347.415 2.827 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1C ZINC001643074808 1101268442 /nfs/dbraw/zinc/26/84/42/1101268442.db2.gz IURSDBDWJONLGG-QGZVFWFLSA-N 1 0 349.431 2.856 10 5 EFBERO NC(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001643071686 1101268668 /nfs/dbraw/zinc/26/86/68/1101268668.db2.gz RTGFOTFRNCSFIB-OAHLLOKOSA-N 1 0 346.431 2.903 10 5 EFBERO CCO[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC001643159388 1101275690 /nfs/dbraw/zinc/27/56/90/1101275690.db2.gz AFIFRUJXXYLLHV-NSHDSACASA-N 1 0 335.326 2.992 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001643199452 1101279529 /nfs/dbraw/zinc/27/95/29/1101279529.db2.gz WLENFDBLRJRQRG-UHFFFAOYSA-N 1 0 337.395 2.989 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001643453206 1101300961 /nfs/dbraw/zinc/30/09/61/1101300961.db2.gz AQALHSPNSDCZKU-CABCVRRESA-N 1 0 333.432 2.717 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001651384889 1101320707 /nfs/dbraw/zinc/32/07/07/1101320707.db2.gz RQERJUMFWJJVMH-HUUCEWRRSA-N 1 0 330.363 2.743 10 5 EFBERO CCO[C@H](CNc1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC001651400825 1101322544 /nfs/dbraw/zinc/32/25/44/1101322544.db2.gz KYGISAGUXRATCO-SNVBAGLBSA-N 1 0 346.225 2.736 10 5 EFBERO CCc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651435123 1101329052 /nfs/dbraw/zinc/32/90/52/1101329052.db2.gz QOSUSOQUUWNPNP-BLLLJJGKSA-N 1 0 341.415 2.541 10 5 EFBERO COc1cc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001651471064 1101333992 /nfs/dbraw/zinc/33/39/92/1101333992.db2.gz PVOVFGZSMSDGSG-BMIGLBTASA-N 1 0 325.796 2.645 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+](CC)C2CC2)cc1C ZINC001651467916 1101334494 /nfs/dbraw/zinc/33/44/94/1101334494.db2.gz SNSBTBQYPQKBBX-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO COc1cccc(C[C@H]2CN(c3sccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001651532444 1101343733 /nfs/dbraw/zinc/34/37/33/1101343733.db2.gz KIHBCCZZJMMYON-ZDUSSCGKSA-N 1 0 333.413 2.686 10 5 EFBERO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC001651532412 1101344717 /nfs/dbraw/zinc/34/47/17/1101344717.db2.gz ISZHLNCFGSBFOU-INIZCTEOSA-N 1 0 341.411 2.933 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651574105 1101349133 /nfs/dbraw/zinc/34/91/33/1101349133.db2.gz FADALKRHOPVBRK-STQMWFEESA-N 1 0 332.379 2.989 10 5 EFBERO Cn1c2ccccc2c(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1=O ZINC001651936848 1101407214 /nfs/dbraw/zinc/40/72/14/1101407214.db2.gz ZYGOOCJQOFPGGT-UHFFFAOYSA-N 1 0 344.415 2.733 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCN3C[C@@H](F)C[C@H]3C2)cc1C(F)(F)F ZINC001652300078 1101471283 /nfs/dbraw/zinc/47/12/83/1101471283.db2.gz LSPGYOXBEBUPFY-ONGXEEELSA-N 1 0 333.285 2.846 10 5 EFBERO COC(=O)[C@H](C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001652424222 1101487497 /nfs/dbraw/zinc/48/74/97/1101487497.db2.gz SFZLCZQVVHTQIB-CYBMUJFWSA-N 1 0 336.388 2.637 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001652491554 1101501005 /nfs/dbraw/zinc/50/10/05/1101501005.db2.gz LJNVOVJUBVARBK-ZBFHGGJFSA-N 1 0 333.432 2.620 10 5 EFBERO CCCCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001653027797 1101577249 /nfs/dbraw/zinc/57/72/49/1101577249.db2.gz VIFFGXARDRMMJR-GJZGRUSLSA-N 1 0 326.441 2.737 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccco1 ZINC001673139395 1101602905 /nfs/dbraw/zinc/60/29/05/1101602905.db2.gz QMADXWOBMKDICB-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001266639186 1101624017 /nfs/dbraw/zinc/62/40/17/1101624017.db2.gz UJEBCRSYWGEAGC-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC001653549954 1101631040 /nfs/dbraw/zinc/63/10/40/1101631040.db2.gz APMSXMRGMVPVBU-WFASDCNBSA-N 1 0 337.420 2.615 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001653830287 1101653150 /nfs/dbraw/zinc/65/31/50/1101653150.db2.gz LRRMMRJBEQGHPB-MNOVXSKESA-N 1 0 325.315 2.510 10 5 EFBERO C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001654011911 1101669624 /nfs/dbraw/zinc/66/96/24/1101669624.db2.gz YHNPYIXAYSVZDZ-HNNXBMFYSA-N 1 0 333.432 2.528 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCc2cc[nH+]c(N)c2)c1C ZINC001654072371 1101680664 /nfs/dbraw/zinc/68/06/64/1101680664.db2.gz XLLNGLSWWXRMAY-UHFFFAOYSA-N 1 0 342.399 2.942 10 5 EFBERO C[N@H+](CCNC(=O)c1ccc(CF)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266365295 1101738272 /nfs/dbraw/zinc/73/82/72/1101738272.db2.gz VIKHTTMFJOLCSY-UHFFFAOYSA-N 1 0 345.374 2.926 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCn2nccc21 ZINC001654611121 1101740046 /nfs/dbraw/zinc/74/00/46/1101740046.db2.gz XBANLRFGJVACCR-OAHLLOKOSA-N 1 0 343.387 2.553 10 5 EFBERO O=C(/C=C/c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266666426 1101743186 /nfs/dbraw/zinc/74/31/86/1101743186.db2.gz YKYXGIMNYFLVJU-JRIJJQDJSA-N 1 0 341.367 2.638 10 5 EFBERO CC(C)C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC001654942271 1101771232 /nfs/dbraw/zinc/77/12/32/1101771232.db2.gz HJFYHVZOOFYNRZ-CYBMUJFWSA-N 1 0 346.431 2.835 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[NH+]3CCCCCC3)c2c1 ZINC001654960630 1101772894 /nfs/dbraw/zinc/77/28/94/1101772894.db2.gz PCBBGBZVPXYQTC-UHFFFAOYSA-N 1 0 344.415 2.861 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001654973281 1101773991 /nfs/dbraw/zinc/77/39/91/1101773991.db2.gz SNXJVWQUCJQORB-GFCCVEGCSA-N 1 0 335.404 2.834 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C(C)C)CC1 ZINC001655088113 1101784496 /nfs/dbraw/zinc/78/44/96/1101784496.db2.gz DUFDNGOPSCUDSH-UHFFFAOYSA-N 1 0 349.431 2.715 10 5 EFBERO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001655542513 1101843413 /nfs/dbraw/zinc/84/34/13/1101843413.db2.gz GPDATUSAVIETIN-UHFFFAOYSA-N 1 0 344.406 2.852 10 5 EFBERO CN(C)CC[N@H+](C)CCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001655540013 1101843647 /nfs/dbraw/zinc/84/36/47/1101843647.db2.gz MMVLJDLCOYJEJC-UHFFFAOYSA-N 1 0 348.369 2.909 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC001655553870 1101846928 /nfs/dbraw/zinc/84/69/28/1101846928.db2.gz XSKZZIUXINWFLQ-ZDUSSCGKSA-N 1 0 344.415 2.717 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669447 1101867880 /nfs/dbraw/zinc/86/78/80/1101867880.db2.gz GRCKGOFXRHOBEH-JKSUJKDBSA-N 1 0 344.390 2.989 10 5 EFBERO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001655695402 1101873094 /nfs/dbraw/zinc/87/30/94/1101873094.db2.gz AVSCSLVGLPXFAB-ZDUSSCGKSA-N 1 0 339.348 2.570 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)n1 ZINC001655853706 1101900812 /nfs/dbraw/zinc/90/08/12/1101900812.db2.gz VAZCIBOLVYHLJX-HNNXBMFYSA-N 1 0 330.388 2.594 10 5 EFBERO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001655941156 1101913693 /nfs/dbraw/zinc/91/36/93/1101913693.db2.gz ZLUNORUDGDHMHY-UHFFFAOYSA-N 1 0 346.431 2.631 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266705920 1101960066 /nfs/dbraw/zinc/96/00/66/1101960066.db2.gz WTNQOCCTAUYYJW-IYBDPMFKSA-N 1 0 331.416 2.912 10 5 EFBERO CC[N@H+](CCNC(=O)c1cc(C)[nH]c1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266420797 1101972896 /nfs/dbraw/zinc/97/28/96/1101972896.db2.gz OBDQWTPOIOIWSA-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656192055 1101993938 /nfs/dbraw/zinc/99/39/38/1101993938.db2.gz OEZAENAWEVDCJA-WKILWMFISA-N 1 0 329.400 2.690 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001656470460 1102102248 /nfs/dbraw/zinc/10/22/48/1102102248.db2.gz ZNPQLEAXHKNCCD-MRXNPFEDSA-N 1 0 344.415 2.903 10 5 EFBERO CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001271720868 1102313977 /nfs/dbraw/zinc/31/39/77/1102313977.db2.gz GREPEDNQWSNFCP-ACHSLPGTSA-N 1 0 331.416 2.864 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001659013366 1102507221 /nfs/dbraw/zinc/50/72/21/1102507221.db2.gz YLSZCMZBHDJCKW-RRQGHBQHSA-N 1 0 339.395 2.857 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000588444041 1102536212 /nfs/dbraw/zinc/53/62/12/1102536212.db2.gz MRCARKSGXJLEFJ-SQFISAMPSA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000588445021 1102541361 /nfs/dbraw/zinc/54/13/61/1102541361.db2.gz PZZBVOROSLTOCM-YPKPFQOOSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC001659612851 1102553292 /nfs/dbraw/zinc/55/32/92/1102553292.db2.gz RCBGFVWFGYVBLD-NWDGAFQWSA-N 1 0 331.376 2.809 10 5 EFBERO Cc1noc(CN2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001659785433 1102566124 /nfs/dbraw/zinc/56/61/24/1102566124.db2.gz OGRZFFPNLDFKIR-HNNXBMFYSA-N 1 0 336.436 2.978 10 5 EFBERO Cc1noc(CN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001659785434 1102566361 /nfs/dbraw/zinc/56/63/61/1102566361.db2.gz OGRZFFPNLDFKIR-OAHLLOKOSA-N 1 0 336.436 2.978 10 5 EFBERO C[N@H+](CCCNC(=O)/C=C\c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001660113677 1102604152 /nfs/dbraw/zinc/60/41/52/1102604152.db2.gz ULUFPXYOEJQJPR-KTKRTIGZSA-N 1 0 342.399 2.574 10 5 EFBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2s1 ZINC001660138691 1102612897 /nfs/dbraw/zinc/61/28/97/1102612897.db2.gz GLHWPNHKNDKLIN-HUUCEWRRSA-N 1 0 347.440 2.505 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001660417114 1102752617 /nfs/dbraw/zinc/75/26/17/1102752617.db2.gz UDJIWMSCWLGVKT-BQFCYCMXSA-N 1 0 346.427 2.845 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001660532896 1102828397 /nfs/dbraw/zinc/82/83/97/1102828397.db2.gz RBAWGEDUARBZCL-UHFFFAOYSA-N 1 0 330.388 2.565 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)c2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000905314560 1103040946 /nfs/dbraw/zinc/04/09/46/1103040946.db2.gz FJDXHVXYWQAGGW-UHFFFAOYSA-N 1 0 338.314 2.660 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000905309178 1103076345 /nfs/dbraw/zinc/07/63/45/1103076345.db2.gz UZHSJHJVUTWWQU-LSDHHAIUSA-N 1 0 328.372 2.791 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001625952125 1103426483 /nfs/dbraw/zinc/42/64/83/1103426483.db2.gz SVQBBEFUOZQKFT-UHFFFAOYSA-N 1 0 346.431 2.515 10 5 EFBERO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000906171226 1103977076 /nfs/dbraw/zinc/97/70/76/1103977076.db2.gz RAPCITRJHYZANF-QGZVFWFLSA-N 1 0 326.400 2.793 10 5 EFBERO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001663189409 1104020076 /nfs/dbraw/zinc/02/00/76/1104020076.db2.gz VYODFUQZYOQYQU-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001663419937 1104090585 /nfs/dbraw/zinc/09/05/85/1104090585.db2.gz WKQWJVQKNIAEBT-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO C[NH+](C)[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000906338432 1104129778 /nfs/dbraw/zinc/12/97/78/1104129778.db2.gz KTEXPUHRYVSJOE-OAHLLOKOSA-N 1 0 339.823 2.637 10 5 EFBERO C[NH+](C)[C@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906528563 1104273242 /nfs/dbraw/zinc/27/32/42/1104273242.db2.gz DRFUYQWSYQYSAK-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001299822315 1104315761 /nfs/dbraw/zinc/31/57/61/1104315761.db2.gz OWAUWGUPYFQXCB-RYUDHWBXSA-N 1 0 343.786 2.846 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906622031 1104356719 /nfs/dbraw/zinc/35/67/19/1104356719.db2.gz MTMFQKWDNGNSOO-GFCCVEGCSA-N 1 0 339.823 2.639 10 5 EFBERO C[NH+](C)CCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906674580 1104423666 /nfs/dbraw/zinc/42/36/66/1104423666.db2.gz AXOYRXTZIDRHPI-UHFFFAOYSA-N 1 0 327.812 2.639 10 5 EFBERO C[C@@H](CC[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906678588 1104426756 /nfs/dbraw/zinc/42/67/56/1104426756.db2.gz HYEVSVBDZREJHP-NSHDSACASA-N 1 0 327.812 2.637 10 5 EFBERO CC(C)[N@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906681543 1104428495 /nfs/dbraw/zinc/42/84/95/1104428495.db2.gz GYDSRLUBVHYJQO-UHFFFAOYSA-N 1 0 327.812 2.637 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001482908897 1105157019 /nfs/dbraw/zinc/15/70/19/1105157019.db2.gz PXJSXFSEEVWLFY-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnccc1C ZINC001482916671 1105167670 /nfs/dbraw/zinc/16/76/70/1105167670.db2.gz WQSWJVBJFWDWSY-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1CC ZINC001482968665 1105267461 /nfs/dbraw/zinc/26/74/61/1105267461.db2.gz SNISNGCUDCWUQM-UHFFFAOYSA-N 1 0 344.415 2.668 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccc[nH]1 ZINC001668411515 1105294516 /nfs/dbraw/zinc/29/45/16/1105294516.db2.gz AAACNSHOBOXHBI-KTKRTIGZSA-N 1 0 342.399 2.574 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001669999957 1105567563 /nfs/dbraw/zinc/56/75/63/1105567563.db2.gz DSYGMUSIUGDNNV-AATRIKPKSA-N 1 0 349.412 2.901 10 5 EFBERO Cc1occc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001670008506 1105567953 /nfs/dbraw/zinc/56/79/53/1105567953.db2.gz IMIIOFPIKJYNBB-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO Cc1[nH]ccc1C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001673156273 1105979411 /nfs/dbraw/zinc/97/94/11/1105979411.db2.gz SSCHYAVBNLBJAE-UHFFFAOYSA-N 1 0 348.428 2.735 10 5 EFBERO CCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001673205930 1105985076 /nfs/dbraw/zinc/98/50/76/1105985076.db2.gz LDNWGJJTIARIPE-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000897623584 1105993005 /nfs/dbraw/zinc/99/30/05/1105993005.db2.gz GGXXSXIWCQYIOK-XSVVSZSESA-N 1 0 329.400 2.586 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000897623583 1105993107 /nfs/dbraw/zinc/99/31/07/1105993107.db2.gz GGXXSXIWCQYIOK-BQLSYSKASA-N 1 0 329.400 2.586 10 5 EFBERO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001674831850 1106262949 /nfs/dbraw/zinc/26/29/49/1106262949.db2.gz FAKXSJZKEBINAZ-IAGOWNOFSA-N 1 0 347.459 2.543 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001483062975 1108002957 /nfs/dbraw/zinc/00/29/57/1108002957.db2.gz ADDCBUCQFLATLT-ONEGZZNKSA-N 1 0 342.399 2.616 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000898462921 1108954664 /nfs/dbraw/zinc/95/46/64/1108954664.db2.gz VNSKLXOSYNFGAO-UONOGXRCSA-N 1 0 328.372 2.812 10 5 EFBERO C[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000898833436 1109097158 /nfs/dbraw/zinc/09/71/58/1109097158.db2.gz SSQUONPRBZJQKN-VBNZEHGJSA-N 1 0 331.416 2.687 10 5 EFBERO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000898833475 1109097395 /nfs/dbraw/zinc/09/73/95/1109097395.db2.gz TXXFQEYPQCLADF-IUIKQTSFSA-N 1 0 349.406 2.826 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000899558330 1109389622 /nfs/dbraw/zinc/38/96/22/1109389622.db2.gz CADNIOMLBOJJTM-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176272 234484683 /nfs/dbraw/zinc/48/46/83/234484683.db2.gz PMPFANFFDVAMMF-GJZGRUSLSA-N 1 0 330.384 2.994 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000183309977 235001326 /nfs/dbraw/zinc/00/13/26/235001326.db2.gz SZDCTWADRCUXIT-OAHLLOKOSA-N 1 0 333.432 2.887 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000183393082 235047154 /nfs/dbraw/zinc/04/71/54/235047154.db2.gz CYVQAPWVOVJUOW-RDJZCZTQSA-N 1 0 344.415 2.582 10 5 EFBERO CCCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037620398 202023326 /nfs/dbraw/zinc/02/33/26/202023326.db2.gz KBZPZTZKNQSTAM-JTQLQIEISA-N 1 0 330.182 2.813 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183650625 235182097 /nfs/dbraw/zinc/18/20/97/235182097.db2.gz RDJVMLNQRNYZOT-CJNGLKHVSA-N 1 0 343.383 2.553 10 5 EFBERO C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000031623234 202207675 /nfs/dbraw/zinc/20/76/75/202207675.db2.gz NEFZSDAFBFJUNW-ICSRJNTNSA-N 1 0 332.464 2.846 10 5 in-man EFBERO O=[N+]([O-])c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000273611730 201260154 /nfs/dbraw/zinc/26/01/54/201260154.db2.gz MDHDOTINRKHMGW-MQVJKMGUSA-N 1 0 339.399 2.992 10 5 EFBERO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177574018 239382348 /nfs/dbraw/zinc/38/23/48/239382348.db2.gz RJZMERXJQNDNDF-HUUCEWRRSA-N 1 0 329.400 2.606 10 5 EFBERO CC(C)[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001998259 201522753 /nfs/dbraw/zinc/52/27/53/201522753.db2.gz VMUZFEIBJQNVRP-UHFFFAOYSA-N 1 0 342.459 2.951 10 5 EFBERO COc1cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000412005081 243066882 /nfs/dbraw/zinc/06/68/82/243066882.db2.gz TVZUXLJCNLRLFN-UHFFFAOYSA-N 1 0 346.427 2.880 10 5 EFBERO Cn1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414565701 244236867 /nfs/dbraw/zinc/23/68/67/244236867.db2.gz FHIGVAPGJSELAY-CJNGLKHVSA-N 1 0 344.415 2.636 10 5 EFBERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000417211493 245048866 /nfs/dbraw/zinc/04/88/66/245048866.db2.gz AJFNAIQXNPOUHE-CYBMUJFWSA-N 1 0 342.399 2.656 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637827 204045094 /nfs/dbraw/zinc/04/50/94/204045094.db2.gz JPSLZLVVYKNWSN-GFCCVEGCSA-N 1 0 332.404 2.782 10 5 EFBERO Cc1c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000105803870 204159686 /nfs/dbraw/zinc/15/96/86/204159686.db2.gz PREOORXEMOEQLB-MRXNPFEDSA-N 1 0 341.415 2.794 10 5 EFBERO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000107062683 204223584 /nfs/dbraw/zinc/22/35/84/204223584.db2.gz QTGDPSDIACEXHL-QZTJIDSGSA-N 1 0 344.415 2.606 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107528526 204240386 /nfs/dbraw/zinc/24/03/86/204240386.db2.gz LAVSLJLGWBKDTG-HNNXBMFYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107528529 204240731 /nfs/dbraw/zinc/24/07/31/204240731.db2.gz LAVSLJLGWBKDTG-OAHLLOKOSA-N 1 0 347.415 2.694 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110992737 204329916 /nfs/dbraw/zinc/32/99/16/204329916.db2.gz OWWKRGXWBLBNDO-CYBMUJFWSA-N 1 0 330.388 2.680 10 5 EFBERO CC(C)[NH+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000120290772 204722761 /nfs/dbraw/zinc/72/27/61/204722761.db2.gz TYPIIUKWDIIEPN-UHFFFAOYSA-N 1 0 332.404 2.925 10 5 EFBERO Cc1c(CC(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186302987 291539999 /nfs/dbraw/zinc/53/99/99/291539999.db2.gz ZKWRFWFXCVYUJO-CQSZACIVSA-N 1 0 333.432 2.826 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000127807141 205119107 /nfs/dbraw/zinc/11/91/07/205119107.db2.gz OWTFCZKTQGKHTB-JQWIXIFHSA-N 1 0 325.796 2.803 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128468741 205148711 /nfs/dbraw/zinc/14/87/11/205148711.db2.gz HOKCJENTJKRIPC-SZTZYQKNSA-N 1 0 327.388 2.612 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246664321 205221889 /nfs/dbraw/zinc/22/18/89/205221889.db2.gz JEMRNDHXRKPEEH-LSDHHAIUSA-N 1 0 348.447 2.646 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246664297 205222333 /nfs/dbraw/zinc/22/23/33/205222333.db2.gz JEMRNDHXRKPEEH-GJZGRUSLSA-N 1 0 348.447 2.646 10 5 EFBERO CNc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131553885 205293880 /nfs/dbraw/zinc/29/38/80/205293880.db2.gz XRMWXNPLQKAUEX-MRXNPFEDSA-N 1 0 346.431 2.660 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000263914821 245850756 /nfs/dbraw/zinc/85/07/56/245850756.db2.gz LZPFSTMYZNPLGJ-JSGCOSHPSA-N 1 0 337.445 2.628 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000158423309 206190281 /nfs/dbraw/zinc/19/02/81/206190281.db2.gz CRFATLYMZVHSDA-ZYHUDNBSSA-N 1 0 325.796 2.803 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000264303634 246323193 /nfs/dbraw/zinc/32/31/93/246323193.db2.gz MHRYQHZATMXDRU-AWEZNQCLSA-N 1 0 334.420 2.651 10 5 EFBERO COc1cc(C[NH2+][C@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000425353121 247056023 /nfs/dbraw/zinc/05/60/23/247056023.db2.gz LFDJODVXJUEEAB-ZDUSSCGKSA-N 1 0 328.315 2.889 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425368018 247059869 /nfs/dbraw/zinc/05/98/69/247059869.db2.gz DBDPXYUAUKXVDW-QGZVFWFLSA-N 1 0 334.416 2.642 10 5 EFBERO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000425514429 247115000 /nfs/dbraw/zinc/11/50/00/247115000.db2.gz QLEKUSRCOHGWKD-UHFFFAOYSA-N 1 0 338.795 2.978 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433084062 248013740 /nfs/dbraw/zinc/01/37/40/248013740.db2.gz RPGJJFGPPPAPOY-KOHJWAIASA-N 1 0 333.388 2.710 10 5 EFBERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174657555 207042077 /nfs/dbraw/zinc/04/20/77/207042077.db2.gz NGXNCEABRVUTQT-RDTXWAMCSA-N 1 0 346.431 2.702 10 5 EFBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449430734 251024899 /nfs/dbraw/zinc/02/48/99/251024899.db2.gz WNMYGEJNYMIETO-YOEHRIQHSA-N 1 0 344.415 2.588 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174981363 207078446 /nfs/dbraw/zinc/07/84/46/207078446.db2.gz DZSGQXSWLHAIIJ-CABCVRRESA-N 1 0 331.416 2.991 10 5 EFBERO Cc1cccnc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449489106 251042798 /nfs/dbraw/zinc/04/27/98/251042798.db2.gz OIYBCZZVHHXUHS-CQSZACIVSA-N 1 0 342.399 2.848 10 5 EFBERO Cc1cccnc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449489105 251043902 /nfs/dbraw/zinc/04/39/02/251043902.db2.gz OIYBCZZVHHXUHS-AWEZNQCLSA-N 1 0 342.399 2.848 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1[N+](=O)[O-] ZINC000449545238 251059621 /nfs/dbraw/zinc/05/96/21/251059621.db2.gz YHJOOIHPHOYZAI-UHFFFAOYSA-N 1 0 348.399 2.959 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449586548 251075041 /nfs/dbraw/zinc/07/50/41/251075041.db2.gz GBXLERYHKAFFTN-RHSMWYFYSA-N 1 0 330.388 2.647 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449664800 251105703 /nfs/dbraw/zinc/10/57/03/251105703.db2.gz BURDROUXXOPMPM-FLBZCCBISA-N 1 0 330.306 2.853 10 5 EFBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000175851195 207165812 /nfs/dbraw/zinc/16/58/12/207165812.db2.gz SRHYJKGOMUEVKM-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175855401 207166624 /nfs/dbraw/zinc/16/66/24/207166624.db2.gz KTUKBUMPFXZPJM-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000267629991 251207392 /nfs/dbraw/zinc/20/73/92/251207392.db2.gz GKUVEFSAVSOEPJ-DLBZAZTESA-N 1 0 348.378 2.519 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000176244950 207206359 /nfs/dbraw/zinc/20/63/59/207206359.db2.gz GJJFHBLQEIKTKQ-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO COC(=O)Cc1ccc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000450392357 251370985 /nfs/dbraw/zinc/37/09/85/251370985.db2.gz OMXLZQNRUHUBRG-UHFFFAOYSA-N 1 0 349.431 2.843 10 5 EFBERO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450363090 251359900 /nfs/dbraw/zinc/35/99/00/251359900.db2.gz HXIJLUQAPFMOOD-CYBMUJFWSA-N 1 0 329.404 2.639 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176726264 207254634 /nfs/dbraw/zinc/25/46/34/207254634.db2.gz HMQQBLBIRRUDHL-GOEBONIOSA-N 1 0 346.431 2.844 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177026441 207286441 /nfs/dbraw/zinc/28/64/41/207286441.db2.gz MXZMOLXGHQMAPE-AWEZNQCLSA-N 1 0 337.445 2.630 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177496985 207343649 /nfs/dbraw/zinc/34/36/49/207343649.db2.gz MNBZOCTXUZDPQX-UKRRQHHQSA-N 1 0 332.404 2.994 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000177544838 207351331 /nfs/dbraw/zinc/35/13/31/207351331.db2.gz IEDAXHWOYAIHQW-VXGBXAGGSA-N 1 0 330.388 2.679 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000177544826 207351639 /nfs/dbraw/zinc/35/16/39/207351639.db2.gz IEDAXHWOYAIHQW-RYUDHWBXSA-N 1 0 330.388 2.679 10 5 EFBERO C[C@@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453445457 252039398 /nfs/dbraw/zinc/03/93/98/252039398.db2.gz YLXLZUWGBSALOO-MOPGFXCFSA-N 1 0 339.395 2.943 10 5 EFBERO CC(=O)NC1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268805600 252258879 /nfs/dbraw/zinc/25/88/79/252258879.db2.gz BQKFQPYQCRWKKJ-DAWZGUTISA-N 1 0 345.443 2.953 10 5 EFBERO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717659 533109507 /nfs/dbraw/zinc/10/95/07/533109507.db2.gz PJIVFLOVHCGARQ-IVZWLZJFSA-N 1 0 329.784 2.588 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000090539986 285190444 /nfs/dbraw/zinc/19/04/44/285190444.db2.gz HLBKCJNXGKRTSA-QGZVFWFLSA-N 1 0 342.399 2.784 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177562204 533139054 /nfs/dbraw/zinc/13/90/54/533139054.db2.gz LHMNPJYCNPSWLR-STQMWFEESA-N 1 0 333.388 2.664 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869499 141355560 /nfs/dbraw/zinc/35/55/60/141355560.db2.gz VLJITANVFOHIJG-HNNXBMFYSA-N 1 0 343.431 2.597 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322050345 141495130 /nfs/dbraw/zinc/49/51/30/141495130.db2.gz ARNXVOICMDDWKJ-IAQYHMDHSA-N 1 0 337.807 2.852 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000341710323 141854200 /nfs/dbraw/zinc/85/42/00/141854200.db2.gz ARYQNEOMGJAQFL-UHFFFAOYSA-N 1 0 328.372 2.655 10 5 EFBERO C[NH+](C)CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000347836316 142279235 /nfs/dbraw/zinc/27/92/35/142279235.db2.gz SDBXSGRQOWNVBG-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO COc1ccc([C@H](CCO)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352770099 142548395 /nfs/dbraw/zinc/54/83/95/142548395.db2.gz QMBHELULBSACNT-INIZCTEOSA-N 1 0 346.383 2.825 10 5 EFBERO CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000341173506 145005991 /nfs/dbraw/zinc/00/59/91/145005991.db2.gz VDBCZEYTGSJXOB-SWLSCSKDSA-N 1 0 348.790 2.752 10 5 EFBERO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342705812 145176357 /nfs/dbraw/zinc/17/63/57/145176357.db2.gz UXMACBNTRSVQCX-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000342778582 145190571 /nfs/dbraw/zinc/19/05/71/145190571.db2.gz JJJWHJXZBIYGLG-UHFFFAOYSA-N 1 0 334.420 2.636 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000342936588 145225063 /nfs/dbraw/zinc/22/50/63/145225063.db2.gz XTFWKUAYHYQFAE-IUODEOHRSA-N 1 0 344.415 2.878 10 5 EFBERO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033869 145350909 /nfs/dbraw/zinc/35/09/09/145350909.db2.gz FZGXFZZNIHYTAW-RHSMWYFYSA-N 1 0 329.400 2.988 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000347293089 145833281 /nfs/dbraw/zinc/83/32/81/145833281.db2.gz SMEHMILVDYTVJY-OAHLLOKOSA-N 1 0 347.415 2.740 10 5 EFBERO Cn1cnc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000352826386 146325409 /nfs/dbraw/zinc/32/54/09/146325409.db2.gz HIYDZYKTPSKZRJ-GOSISDBHSA-N 1 0 337.383 2.645 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355780552 147060746 /nfs/dbraw/zinc/06/07/46/147060746.db2.gz ANHUHAJMJYKTFG-FRRDWIJNSA-N 1 0 335.404 2.908 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356282258 147199440 /nfs/dbraw/zinc/19/94/40/147199440.db2.gz PPGODZIZBPHTOG-JSGCOSHPSA-N 1 0 334.420 2.581 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000356809305 147341785 /nfs/dbraw/zinc/34/17/85/147341785.db2.gz OLPUAWHOORHIPX-JTQLQIEISA-N 1 0 345.346 2.655 10 5 EFBERO CC[C@@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003003 147396207 /nfs/dbraw/zinc/39/62/07/147396207.db2.gz ZFWJILFUNJLWIH-MAUKXSAKSA-N 1 0 333.432 2.922 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000359254458 148036924 /nfs/dbraw/zinc/03/69/24/148036924.db2.gz PHGHUBZCLIZJNY-UHFFFAOYSA-N 1 0 333.432 2.718 10 5 EFBERO COc1cc2c(NCCn3cc([N+](=O)[O-])cn3)cc[nH+]c2cc1F ZINC000359555267 148121386 /nfs/dbraw/zinc/12/13/86/148121386.db2.gz ZYLBXBHIBNKRSP-UHFFFAOYSA-N 1 0 331.307 2.599 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cs1 ZINC000359790725 148190155 /nfs/dbraw/zinc/19/01/55/148190155.db2.gz DCRIYYUZKRQUDM-NSHDSACASA-N 1 0 342.367 2.875 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000359795551 148191723 /nfs/dbraw/zinc/19/17/23/148191723.db2.gz IKYLKYRKSBMMJE-CQSZACIVSA-N 1 0 336.338 2.814 10 5 EFBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000363910176 149030166 /nfs/dbraw/zinc/03/01/66/149030166.db2.gz PWLQHWMRLYEEKV-HYVNUMGLSA-N 1 0 339.399 2.707 10 5 EFBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000363910177 149030480 /nfs/dbraw/zinc/03/04/80/149030480.db2.gz PWLQHWMRLYEEKV-USXIJHARSA-N 1 0 339.399 2.707 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000364358175 149134682 /nfs/dbraw/zinc/13/46/82/149134682.db2.gz JFGDZFPAEUCKPR-CQSZACIVSA-N 1 0 328.372 2.773 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364747061 149233502 /nfs/dbraw/zinc/23/35/02/149233502.db2.gz XJLFBKNUHFWHBV-NHYWBVRUSA-N 1 0 337.807 2.852 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000367987862 150003240 /nfs/dbraw/zinc/00/32/40/150003240.db2.gz PRHHIFXGXGHUMO-IUODEOHRSA-N 1 0 333.388 2.806 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102909 150038482 /nfs/dbraw/zinc/03/84/82/150038482.db2.gz QRDHMUAJKIXCGT-AAEUAGOBSA-N 1 0 330.388 2.925 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102912 150039091 /nfs/dbraw/zinc/03/90/91/150039091.db2.gz QRDHMUAJKIXCGT-YPMHNXCESA-N 1 0 330.388 2.925 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000368429427 150115885 /nfs/dbraw/zinc/11/58/85/150115885.db2.gz NZHYMUYOBKHJRY-VIRABCJISA-N 1 0 347.415 2.653 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000368481887 150129504 /nfs/dbraw/zinc/12/95/04/150129504.db2.gz KAIAXLTWXWTKDC-OAHLLOKOSA-N 1 0 334.416 2.921 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369133827 150282970 /nfs/dbraw/zinc/28/29/70/150282970.db2.gz HLQAJRWWVDJMOX-INIZCTEOSA-N 1 0 330.388 2.572 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000371234283 150756445 /nfs/dbraw/zinc/75/64/45/150756445.db2.gz DAFCWBUMHZQLOQ-LSDHHAIUSA-N 1 0 347.415 2.598 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000374633318 151385416 /nfs/dbraw/zinc/38/54/16/151385416.db2.gz VIUHONRATIRLKQ-DOMZBBRYSA-N 1 0 326.780 2.676 10 5 EFBERO CC(C)C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000362762482 164686835 /nfs/dbraw/zinc/68/68/35/164686835.db2.gz JOTYKFDLTAYILM-GFCCVEGCSA-N 1 0 343.374 2.508 10 5 EFBERO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000123980056 222360966 /nfs/dbraw/zinc/36/09/66/222360966.db2.gz JGFOBGYYBXNSJT-ZANVPECISA-N 1 0 328.210 2.744 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047039034 272980356 /nfs/dbraw/zinc/98/03/56/272980356.db2.gz RLWZDPFNOIUPEX-ZIAGYGMSSA-N 1 0 348.447 2.786 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000185024815 265032737 /nfs/dbraw/zinc/03/27/37/265032737.db2.gz XZQYDSGGFOGGMU-UZICZHQRSA-N 1 0 343.427 2.941 10 5 EFBERO COCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193789404 265348009 /nfs/dbraw/zinc/34/80/09/265348009.db2.gz ZWQMJWOZNZMBEE-CQSZACIVSA-N 1 0 349.431 2.521 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000194665050 265379751 /nfs/dbraw/zinc/37/97/51/265379751.db2.gz URYWCRUXWZUASE-YVEFUNNKSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000271814782 266067948 /nfs/dbraw/zinc/06/79/48/266067948.db2.gz ZAOLQWUYEZDBDO-OLZOCXBDSA-N 1 0 336.413 2.885 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000272158161 266171363 /nfs/dbraw/zinc/17/13/63/266171363.db2.gz DQWIPVKBHMVYGZ-BXUZGUMPSA-N 1 0 341.358 2.628 10 5 EFBERO C[NH+](C)C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000272594919 266319256 /nfs/dbraw/zinc/31/92/56/266319256.db2.gz WZYUYEPHFIAJTE-SNVBAGLBSA-N 1 0 334.203 2.668 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000102006689 272999677 /nfs/dbraw/zinc/99/96/77/272999677.db2.gz GOVIPTNMVFVFDE-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO C[C@@H]1C[N@@H+](CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277356413 267162561 /nfs/dbraw/zinc/16/25/61/267162561.db2.gz ARIDUMMIOIBQMH-BETUJISGSA-N 1 0 347.419 2.772 10 5 EFBERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000277556837 267197257 /nfs/dbraw/zinc/19/72/57/267197257.db2.gz OWJVCGKKGQOBKK-AWEZNQCLSA-N 1 0 342.399 2.823 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277592910 267206871 /nfs/dbraw/zinc/20/68/71/267206871.db2.gz WXZHHYIBYCMCDO-MJVIPROJSA-N 1 0 332.360 2.720 10 5 EFBERO COc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000277745949 267251564 /nfs/dbraw/zinc/25/15/64/267251564.db2.gz UQJTYIIDMDDZRB-LBPRGKRZSA-N 1 0 341.383 2.655 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000277988744 267315341 /nfs/dbraw/zinc/31/53/41/267315341.db2.gz NARCOAAHMMKYMW-LBPRGKRZSA-N 1 0 339.823 2.970 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000137016082 273019254 /nfs/dbraw/zinc/01/92/54/273019254.db2.gz NWEOYSZXZJXPEG-DZGCQCFKSA-N 1 0 333.413 2.964 10 5 EFBERO COC(=O)c1cc(N(C)CC2([NH+](C)C)CCC2)cc(C)c1[N+](=O)[O-] ZINC000188517890 273057843 /nfs/dbraw/zinc/05/78/43/273057843.db2.gz QPBDNJIOLYHJDI-UHFFFAOYSA-N 1 0 335.404 2.610 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269738837 273089835 /nfs/dbraw/zinc/08/98/35/273089835.db2.gz YDCSEDLIEWFXJL-HOCLYGCPSA-N 1 0 348.447 2.509 10 5 EFBERO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CN1 ZINC000279467431 273218508 /nfs/dbraw/zinc/21/85/08/273218508.db2.gz RVFUWMXFNNISCY-GOSISDBHSA-N 1 0 341.367 2.567 10 5 EFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497364 273571378 /nfs/dbraw/zinc/57/13/78/273571378.db2.gz XXLWNNIJVXWYSP-CABCVRRESA-N 1 0 330.388 2.908 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282604073 273587591 /nfs/dbraw/zinc/58/75/91/273587591.db2.gz DDLQIIXUWTYILI-RDJZCZTQSA-N 1 0 334.416 2.561 10 5 EFBERO COC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000268841193 274000127 /nfs/dbraw/zinc/00/01/27/274000127.db2.gz OPJMSHJGPLBHFJ-XJKSGUPXSA-N 1 0 347.415 2.610 10 5 EFBERO COC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000286309670 274174570 /nfs/dbraw/zinc/17/45/70/274174570.db2.gz KCRTURUOFJYDMU-HIFRSBDPSA-N 1 0 347.415 2.753 10 5 EFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834946 274240540 /nfs/dbraw/zinc/24/05/40/274240540.db2.gz BWBPQSKJLVLYPN-ZJUUUORDSA-N 1 0 328.210 2.921 10 5 EFBERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789560 274399381 /nfs/dbraw/zinc/39/93/81/274399381.db2.gz XIEGERBGVNEKTO-RDBSUJKOSA-N 1 0 331.416 2.850 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182906091 276119842 /nfs/dbraw/zinc/11/98/42/276119842.db2.gz BXISEAIWVRADRF-VSOYFRJCSA-N 1 0 331.416 2.941 10 5 EFBERO CC1(C)CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261582252 276135087 /nfs/dbraw/zinc/13/50/87/276135087.db2.gz GQSXKPHVGYNPPM-GFCCVEGCSA-N 1 0 328.210 2.921 10 5 EFBERO CN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000424319728 277163129 /nfs/dbraw/zinc/16/31/29/277163129.db2.gz HCJBAGGYGPXVBR-ZOBUZTSGSA-N 1 0 345.443 2.764 10 5 EFBERO COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449383145 277268615 /nfs/dbraw/zinc/26/86/15/277268615.db2.gz FHAMYIDVWYGWMY-QILLFSRXSA-N 1 0 336.432 2.683 10 5 EFBERO C[NH2+]C[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834816 277275901 /nfs/dbraw/zinc/27/59/01/277275901.db2.gz MVHYPGMEIOIQRH-JTQLQIEISA-N 1 0 328.210 2.793 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000449688200 277376793 /nfs/dbraw/zinc/37/67/93/277376793.db2.gz SZJQNNNITCDYLU-QGZVFWFLSA-N 1 0 336.388 2.615 10 5 EFBERO O=C([C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564679 280130970 /nfs/dbraw/zinc/13/09/70/280130970.db2.gz DJUBUSYGYQFYKA-JZLODUJNSA-N 1 0 343.427 2.942 10 5 EFBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026539 288297668 /nfs/dbraw/zinc/29/76/68/288297668.db2.gz YRRLMNGKEVYHGE-OLZOCXBDSA-N 1 0 342.399 2.775 10 5 EFBERO Cc1cccc(NC[C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)[nH+]1 ZINC000192787646 281246937 /nfs/dbraw/zinc/24/69/37/281246937.db2.gz GUWYDZUDAOQPHX-CYBMUJFWSA-N 1 0 327.388 2.819 10 5 EFBERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000159174187 290037650 /nfs/dbraw/zinc/03/76/50/290037650.db2.gz ZGNHQCNRHBXACF-KBXCAEBGSA-N 1 0 341.411 2.945 10 5 EFBERO CN(CC1CC1)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)CC2CC2)c1 ZINC000128238357 293096231 /nfs/dbraw/zinc/09/62/31/293096231.db2.gz KZOWIELCNFBBMG-UHFFFAOYSA-N 1 0 346.431 2.721 10 5 EFBERO CC1CCC(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153037796 293357785 /nfs/dbraw/zinc/35/77/85/293357785.db2.gz OSGXJVPOFNZNFB-UHFFFAOYSA-N 1 0 331.416 2.648 10 5 EFBERO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040941 293357888 /nfs/dbraw/zinc/35/78/88/293357888.db2.gz OYCOUAFSPHZNFI-RBSFLKMASA-N 1 0 345.443 2.846 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000156050202 293497144 /nfs/dbraw/zinc/49/71/44/293497144.db2.gz JIXDPQDIDPZMSF-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO Cc1sccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293167090 294896336 /nfs/dbraw/zinc/89/63/36/294896336.db2.gz GCHSEKWWWASFED-UHFFFAOYSA-N 1 0 340.426 2.528 10 5 EFBERO Cc1sc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293773344 295046440 /nfs/dbraw/zinc/04/64/40/295046440.db2.gz VKMDLJAJZXGQLS-LLVKDONJSA-N 1 0 337.445 2.911 10 5 EFBERO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294700827 295210852 /nfs/dbraw/zinc/21/08/52/295210852.db2.gz IZGVYVQQFSZAQW-IYXRBSQSSA-N 1 0 340.445 2.849 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207173 295282468 /nfs/dbraw/zinc/28/24/68/295282468.db2.gz LQVBGUKRQUEKIT-ZANVPECISA-N 1 0 341.795 2.732 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)c1 ZINC000180853517 304806964 /nfs/dbraw/zinc/80/69/64/304806964.db2.gz IFJINPAEUYRJQV-VQIMIIECSA-N 1 0 349.394 2.880 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298754235 311020925 /nfs/dbraw/zinc/02/09/25/311020925.db2.gz PJNUVPRXQFRVPG-LBPRGKRZSA-N 1 0 331.372 2.945 10 5 EFBERO C[N@H+](CCO)C1(CNc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000301261351 311127852 /nfs/dbraw/zinc/12/78/52/311127852.db2.gz GXVCYJUHQZSUFS-UHFFFAOYSA-N 1 0 325.384 2.773 10 5 EFBERO C[N@H+](CCO)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000301281903 311128838 /nfs/dbraw/zinc/12/88/38/311128838.db2.gz OONOKKDRXYLZGE-UHFFFAOYSA-N 1 0 342.827 2.682 10 5 EFBERO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301472611 311139065 /nfs/dbraw/zinc/13/90/65/311139065.db2.gz LCHVRYNNILLLKV-QILLFSRXSA-N 1 0 331.416 2.662 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000301512875 311141732 /nfs/dbraw/zinc/14/17/32/311141732.db2.gz DMYFHRNIAFIDOH-SECBINFHSA-N 1 0 331.214 2.895 10 5 EFBERO CC[C@@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630850 311148665 /nfs/dbraw/zinc/14/86/65/311148665.db2.gz BKJWQXULLLFYJL-GFCCVEGCSA-N 1 0 348.403 2.602 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695682 311152825 /nfs/dbraw/zinc/15/28/25/311152825.db2.gz POAKSIGDTWNURK-OCCSQVGLSA-N 1 0 335.404 2.975 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301703426 311153698 /nfs/dbraw/zinc/15/36/98/311153698.db2.gz UPNFTAIGQNVCBK-AWEZNQCLSA-N 1 0 335.404 2.976 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301756449 311156883 /nfs/dbraw/zinc/15/68/83/311156883.db2.gz YHVMXVVHTKIGDX-OAHLLOKOSA-N 1 0 337.395 2.815 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301829325 311161261 /nfs/dbraw/zinc/16/12/61/311161261.db2.gz QYOCWKCWHFHFIU-CQSZACIVSA-N 1 0 337.395 2.815 10 5 EFBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301868840 311163851 /nfs/dbraw/zinc/16/38/51/311163851.db2.gz CFAIYXQFBUDYQK-OKILXGFUSA-N 1 0 346.435 2.808 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000302069709 311176152 /nfs/dbraw/zinc/17/61/52/311176152.db2.gz VIHCEJWTDHUNLB-MRXNPFEDSA-N 1 0 333.432 2.932 10 5 EFBERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330611192 311324450 /nfs/dbraw/zinc/32/44/50/311324450.db2.gz POGZBSONULGQKG-CQSZACIVSA-N 1 0 333.432 2.968 10 5 EFBERO COCC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353075371 311890282 /nfs/dbraw/zinc/89/02/82/311890282.db2.gz XABJUGIEXLZJEE-AWEZNQCLSA-N 1 0 334.372 2.996 10 5 EFBERO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398569045 311964209 /nfs/dbraw/zinc/96/42/09/311964209.db2.gz KWKKKOWRMMSLJP-ZDUSSCGKSA-N 1 0 331.210 2.854 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000414586843 312051444 /nfs/dbraw/zinc/05/14/44/312051444.db2.gz UYFFJWJUFSUXBK-PWSUYJOCSA-N 1 0 330.331 2.837 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930756 312065841 /nfs/dbraw/zinc/06/58/41/312065841.db2.gz PEYXJLAVNVXJJE-MLGOLLRUSA-N 1 0 345.399 2.951 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000415003894 312075836 /nfs/dbraw/zinc/07/58/36/312075836.db2.gz PNDVTLJYCBAVEE-OAHLLOKOSA-N 1 0 337.326 2.942 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCCC[NH2+]C3)cs2)c1 ZINC000415070937 312087985 /nfs/dbraw/zinc/08/79/85/312087985.db2.gz RRLJTLYSRVNKMA-CYBMUJFWSA-N 1 0 332.429 2.950 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000415703710 312166263 /nfs/dbraw/zinc/16/62/63/312166263.db2.gz RGJDOTQZTHBHKZ-LLVKDONJSA-N 1 0 344.362 2.996 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415759129 312169556 /nfs/dbraw/zinc/16/95/56/312169556.db2.gz IOSRSUDXJMCCHB-NNQSOWQGSA-N 1 0 332.404 2.904 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)CCCC2 ZINC000417349424 312212620 /nfs/dbraw/zinc/21/26/20/312212620.db2.gz LDGCRFVXEYVCII-HKUYNNGSSA-N 1 0 347.459 2.799 10 5 EFBERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000417758210 312266544 /nfs/dbraw/zinc/26/65/44/312266544.db2.gz CERXCBJOFROXFX-ZDUSSCGKSA-N 1 0 342.399 2.656 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426855957 312532065 /nfs/dbraw/zinc/53/20/65/312532065.db2.gz INFUHHBUUNSHNR-UHFFFAOYSA-N 1 0 349.431 2.797 10 5 EFBERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008847 312590718 /nfs/dbraw/zinc/59/07/18/312590718.db2.gz FEHJIYKAJAEREA-KYNGSXCRSA-N 1 0 342.395 2.814 10 5 EFBERO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008840 312591027 /nfs/dbraw/zinc/59/10/27/312591027.db2.gz FEHJIYKAJAEREA-GDIGMMSISA-N 1 0 342.395 2.814 10 5 EFBERO CC[C@@H]([NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000453389001 312896741 /nfs/dbraw/zinc/89/67/41/312896741.db2.gz CIURQYCHNAXGDB-NWDGAFQWSA-N 1 0 325.434 2.580 10 5 EFBERO COC(=O)c1cc(NCC2([NH+](C)C)CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474789499 313212384 /nfs/dbraw/zinc/21/23/84/313212384.db2.gz FOHDDMYFCGENST-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937263 314184540 /nfs/dbraw/zinc/18/45/40/314184540.db2.gz QPUOJZWIKHVJNF-GUYCJALGSA-N 1 0 336.388 2.815 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253043 314292794 /nfs/dbraw/zinc/29/27/94/314292794.db2.gz JGDWRGKDYAHDEK-CZUORRHYSA-N 1 0 346.431 2.842 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494638387 314616194 /nfs/dbraw/zinc/61/61/94/314616194.db2.gz UXGJDEZEDIEWFT-DGCLKSJQSA-N 1 0 349.412 2.615 10 5 EFBERO COCC1(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000519154245 315847484 /nfs/dbraw/zinc/84/74/84/315847484.db2.gz BPZMJFCQMFZORV-INIZCTEOSA-N 1 0 344.415 2.824 10 5 EFBERO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531889304 317328933 /nfs/dbraw/zinc/32/89/33/317328933.db2.gz HJUHBYMGFOTHJD-OAHLLOKOSA-N 1 0 346.431 2.764 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000541815340 317790879 /nfs/dbraw/zinc/79/08/79/317790879.db2.gz VPDUSBDXRVIEGX-UHFFFAOYSA-N 1 0 336.436 2.511 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC1CCC1 ZINC000555242288 318350572 /nfs/dbraw/zinc/35/05/72/318350572.db2.gz ZHVZVZSSKMWHGL-CYBMUJFWSA-N 1 0 335.404 2.718 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924154 318419221 /nfs/dbraw/zinc/41/92/21/318419221.db2.gz HLZLCXOBXBYNFI-VXGBXAGGSA-N 1 0 326.418 2.520 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924152 318419226 /nfs/dbraw/zinc/41/92/26/318419226.db2.gz HLZLCXOBXBYNFI-NWDGAFQWSA-N 1 0 326.418 2.520 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000567448111 319171913 /nfs/dbraw/zinc/17/19/13/319171913.db2.gz AERGUODBQJEFSX-MRXNPFEDSA-N 1 0 347.415 2.611 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672200 319194799 /nfs/dbraw/zinc/19/47/99/319194799.db2.gz KTLPJYAAGFXSKS-KRWDZBQOSA-N 1 0 349.456 2.923 10 5 EFBERO COc1cncc(/C=C\CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000567780517 319210699 /nfs/dbraw/zinc/21/06/99/319210699.db2.gz VRPQFZRACAXQAL-RQOWECAXSA-N 1 0 340.383 2.855 10 5 EFBERO COc1cncc(/C=C/CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000567780516 319210975 /nfs/dbraw/zinc/21/09/75/319210975.db2.gz VRPQFZRACAXQAL-DUXPYHPUSA-N 1 0 340.383 2.855 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCc3cc(N)ccc32)c([N+](=O)[O-])cc1OC ZINC000568782449 319318755 /nfs/dbraw/zinc/31/87/55/319318755.db2.gz QQWSCCYBQQJPNF-HNNXBMFYSA-N 1 0 343.383 2.971 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(CC[NH2+]2)CC1 ZINC000569110914 319349362 /nfs/dbraw/zinc/34/93/62/319349362.db2.gz VEZBCZJQYSESFA-UHFFFAOYSA-N 1 0 331.397 2.778 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572823210 319707034 /nfs/dbraw/zinc/70/70/34/319707034.db2.gz WEVOJDBUVPIJBC-OKILXGFUSA-N 1 0 332.404 2.675 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000576358936 320009651 /nfs/dbraw/zinc/00/96/51/320009651.db2.gz AJGKEPHNZAAKOC-UHFFFAOYSA-N 1 0 335.404 2.660 10 5 EFBERO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000577693790 320133799 /nfs/dbraw/zinc/13/37/99/320133799.db2.gz RSMHAEDXTCHNRF-UHFFFAOYSA-N 1 0 346.431 2.766 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000577959674 320160021 /nfs/dbraw/zinc/16/00/21/320160021.db2.gz IFXIUQDXOJKYKV-UHFFFAOYSA-N 1 0 331.416 2.864 10 5 EFBERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578082870 320172073 /nfs/dbraw/zinc/17/20/73/320172073.db2.gz BOFSRGXQKUQYCB-MRXNPFEDSA-N 1 0 331.416 2.819 10 5 EFBERO COCC[NH2+]C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000578657686 320227211 /nfs/dbraw/zinc/22/72/11/320227211.db2.gz UWQGCJKCLOAOMM-UHFFFAOYSA-N 1 0 335.448 2.919 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000181352654 323233093 /nfs/dbraw/zinc/23/30/93/323233093.db2.gz ZWRBTZKXKYPBSP-ZDUSSCGKSA-N 1 0 337.445 2.919 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181992451 323258618 /nfs/dbraw/zinc/25/86/18/323258618.db2.gz HXJKMGMPBKDFJN-UHFFFAOYSA-N 1 0 348.428 2.742 10 5 EFBERO CCOc1cccc(N2CC[N@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000183148984 323319933 /nfs/dbraw/zinc/31/99/33/323319933.db2.gz DSASZIKKRPRCDY-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000183245827 323323863 /nfs/dbraw/zinc/32/38/63/323323863.db2.gz IYTFXWDDGWCMLO-UHFFFAOYSA-N 1 0 331.416 2.738 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013523 323379893 /nfs/dbraw/zinc/37/98/93/323379893.db2.gz BJWMLCLTFDAHFR-CHWSQXEVSA-N 1 0 339.411 2.930 10 5 EFBERO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185039359 323381095 /nfs/dbraw/zinc/38/10/95/323381095.db2.gz ZIIFCPRMZHHWCY-GXTWGEPZSA-N 1 0 337.401 2.532 10 5 EFBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185123644 323383939 /nfs/dbraw/zinc/38/39/39/323383939.db2.gz ZODZQWYJGLKTBF-NEPJUHHUSA-N 1 0 337.401 2.532 10 5 EFBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185123663 323384403 /nfs/dbraw/zinc/38/44/03/323384403.db2.gz ZODZQWYJGLKTBF-VXGBXAGGSA-N 1 0 337.401 2.532 10 5 EFBERO C[C@@H](Cc1cnccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583066473 324729665 /nfs/dbraw/zinc/72/96/65/324729665.db2.gz FNLKCXATEYWKMO-LBPRGKRZSA-N 1 0 325.372 2.629 10 5 EFBERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583688185 324852907 /nfs/dbraw/zinc/85/29/07/324852907.db2.gz SXLVVZATTVZKQN-JRKPZEMJSA-N 1 0 345.321 2.730 10 5 EFBERO COc1ccc(C[N@H+](C)[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000095987341 473244908 /nfs/dbraw/zinc/24/49/08/473244908.db2.gz TVOMOHXIRDWKOQ-AEFFLSMTSA-N 1 0 328.368 2.694 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124481744 473251014 /nfs/dbraw/zinc/25/10/14/473251014.db2.gz JAQVMDFJLWNPFI-TZMCWYRMSA-N 1 0 335.404 2.548 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190447979 473278277 /nfs/dbraw/zinc/27/82/77/473278277.db2.gz DTBUAHGYXQZCFE-INIZCTEOSA-N 1 0 341.415 2.652 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124799208 473305477 /nfs/dbraw/zinc/30/54/77/473305477.db2.gz WEGMLUOAXJLKSF-OCCSQVGLSA-N 1 0 337.445 2.628 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171208357 473321863 /nfs/dbraw/zinc/32/18/63/473321863.db2.gz JPUZEQIEHJOCNL-AWEZNQCLSA-N 1 0 342.399 2.777 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150738262 473343848 /nfs/dbraw/zinc/34/38/48/473343848.db2.gz FLNQKMUNYNUJMA-OAHLLOKOSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162530297 473352560 /nfs/dbraw/zinc/35/25/60/473352560.db2.gz NIQMWXNSTNUOGM-CQSZACIVSA-N 1 0 327.384 2.984 10 5 EFBERO COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232742 473378743 /nfs/dbraw/zinc/37/87/43/473378743.db2.gz FJQHDCRLGADJNT-JSGCOSHPSA-N 1 0 345.403 2.827 10 5 EFBERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479646 478811094 /nfs/dbraw/zinc/81/10/94/478811094.db2.gz GGQZZLHYCJVADB-WFASDCNBSA-N 1 0 334.420 2.828 10 5 EFBERO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601594495 478896705 /nfs/dbraw/zinc/89/67/05/478896705.db2.gz DILSVGZEJGFDLW-GOSISDBHSA-N 1 0 343.427 2.571 10 5 EFBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601600199 478901167 /nfs/dbraw/zinc/90/11/67/478901167.db2.gz CLHFXYBDHSVIEY-CJNGLKHVSA-N 1 0 331.416 2.568 10 5 EFBERO O[C@@H](COc1ccccc1F)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000003180916 471435163 /nfs/dbraw/zinc/43/51/63/471435163.db2.gz IJJYNFVXAKCCLY-GOSISDBHSA-N 1 0 346.422 2.613 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054132085 472061555 /nfs/dbraw/zinc/06/15/55/472061555.db2.gz VJYVVDNORWZVSR-MRXNPFEDSA-N 1 0 331.347 2.767 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)CC(C)C ZINC000042546460 472143574 /nfs/dbraw/zinc/14/35/74/472143574.db2.gz RBUQVOJXVVJDCF-AWEZNQCLSA-N 1 0 336.436 2.785 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068223219 472152135 /nfs/dbraw/zinc/15/21/35/472152135.db2.gz FKKDOOKOXFXCMH-NSHDSACASA-N 1 0 327.812 2.954 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C)o1 ZINC000068366465 472176842 /nfs/dbraw/zinc/17/68/42/472176842.db2.gz JGICZRMWBLNYNY-UHFFFAOYSA-N 1 0 347.371 2.965 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969160 472229891 /nfs/dbraw/zinc/22/98/91/472229891.db2.gz VZICVVGFBCYHTH-JKSUJKDBSA-N 1 0 333.432 2.843 10 5 EFBERO COCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000076040156 472247794 /nfs/dbraw/zinc/24/77/94/472247794.db2.gz GWHSKWWQUMZETL-UHFFFAOYSA-N 1 0 337.420 2.512 10 5 EFBERO COc1cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389449 479984189 /nfs/dbraw/zinc/98/41/89/479984189.db2.gz MSQXJWRIUYVIGU-CZUORRHYSA-N 1 0 330.384 2.858 10 5 EFBERO COc1cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389448 479984625 /nfs/dbraw/zinc/98/46/25/479984625.db2.gz MSQXJWRIUYVIGU-CJNGLKHVSA-N 1 0 330.384 2.858 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076776164 472401662 /nfs/dbraw/zinc/40/16/62/472401662.db2.gz KTRKNRARXRBVKC-CYBMUJFWSA-N 1 0 346.431 2.773 10 5 EFBERO Cc1cc(N2CCC(c3nnc[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083921 472437595 /nfs/dbraw/zinc/43/75/95/472437595.db2.gz JXKLUZIHRZKDRW-UHFFFAOYSA-N 1 0 338.371 2.954 10 5 EFBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069848944 472451622 /nfs/dbraw/zinc/45/16/22/472451622.db2.gz JJIDRIXCRMATSZ-KBOKABMXSA-N 1 0 329.400 2.695 10 5 EFBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069848941 472451755 /nfs/dbraw/zinc/45/17/55/472451755.db2.gz JJIDRIXCRMATSZ-IJDCCNJMSA-N 1 0 329.400 2.695 10 5 EFBERO CC(C)[C@@H]([NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000097349735 472490144 /nfs/dbraw/zinc/49/01/44/472490144.db2.gz UTYQPADPKSWBPZ-VIFPVBQESA-N 1 0 349.172 2.595 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901323 472540515 /nfs/dbraw/zinc/54/05/15/472540515.db2.gz QVBVILFWDRCIQJ-SUMWQHHRSA-N 1 0 342.399 2.918 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000101913511 472557578 /nfs/dbraw/zinc/55/75/78/472557578.db2.gz SAIRGCGEPQAIMR-CQSZACIVSA-N 1 0 339.342 2.642 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CCCC2)CC1 ZINC000130013096 472578529 /nfs/dbraw/zinc/57/85/29/472578529.db2.gz XVZZEIWBWURLCA-UHFFFAOYSA-N 1 0 342.399 2.777 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155686647 472595330 /nfs/dbraw/zinc/59/53/30/472595330.db2.gz LKKAYALMRMXFHP-GWCFXTLKSA-N 1 0 325.796 2.707 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090515135 472629376 /nfs/dbraw/zinc/62/93/76/472629376.db2.gz KRPANKZKRCBSOB-YEZLUTFDSA-N 1 0 328.434 2.801 10 5 EFBERO CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090526906 472630522 /nfs/dbraw/zinc/63/05/22/472630522.db2.gz HEKYHIJCLCFZMP-GUYCJALGSA-N 1 0 346.431 2.829 10 5 EFBERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538461 472631830 /nfs/dbraw/zinc/63/18/30/472631830.db2.gz GNUMOLFTTRWEJJ-INIZCTEOSA-N 1 0 330.388 2.912 10 5 EFBERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090550558 472633549 /nfs/dbraw/zinc/63/35/49/472633549.db2.gz LZKOPOQHUJGGKD-HNNXBMFYSA-N 1 0 331.372 2.885 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000090549818 472633785 /nfs/dbraw/zinc/63/37/85/472633785.db2.gz INNGMOPBBSBLFA-UHFFFAOYSA-N 1 0 331.397 2.607 10 5 EFBERO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090550559 472633848 /nfs/dbraw/zinc/63/38/48/472633848.db2.gz LZKOPOQHUJGGKD-OAHLLOKOSA-N 1 0 331.372 2.885 10 5 EFBERO CC[C@H](NC(=O)NCC[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090554400 472635597 /nfs/dbraw/zinc/63/55/97/472635597.db2.gz RPFFXUAPYDSVPC-INIZCTEOSA-N 1 0 334.420 2.829 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000131127791 472650214 /nfs/dbraw/zinc/65/02/14/472650214.db2.gz BFLLQMKCDUZBOR-UHFFFAOYSA-N 1 0 325.368 2.546 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131741338 472689931 /nfs/dbraw/zinc/68/99/31/472689931.db2.gz AURXGXGXFOWKAE-GOSISDBHSA-N 1 0 343.383 2.912 10 5 EFBERO Cc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000047345813 472693737 /nfs/dbraw/zinc/69/37/37/472693737.db2.gz JUAFMPMYVPCMGP-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000078674928 472752239 /nfs/dbraw/zinc/75/22/39/472752239.db2.gz FXMVBHJEQJHWQJ-MRXNPFEDSA-N 1 0 326.400 2.948 10 5 EFBERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000078674926 472752681 /nfs/dbraw/zinc/75/26/81/472752681.db2.gz FXMVBHJEQJHWQJ-INIZCTEOSA-N 1 0 326.400 2.948 10 5 EFBERO CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000120920710 472768414 /nfs/dbraw/zinc/76/84/14/472768414.db2.gz XAUFESRYYZCGFX-JKNJVXJCSA-N 1 0 333.432 2.651 10 5 EFBERO C[C@@H]1C[NH+](CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000079021920 472807808 /nfs/dbraw/zinc/80/78/08/472807808.db2.gz SCGMNKQRTCNGCP-HUUCEWRRSA-N 1 0 348.447 2.706 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000121375929 472842702 /nfs/dbraw/zinc/84/27/02/472842702.db2.gz HOMVDDVLHBAXHQ-QGZVFWFLSA-N 1 0 327.384 2.936 10 5 EFBERO C[C@H]1C[N@@H+](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000092078974 472855688 /nfs/dbraw/zinc/85/56/88/472855688.db2.gz GUTNIONJUNPJKG-NBUZRDOWSA-N 1 0 345.443 2.793 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012935 472961585 /nfs/dbraw/zinc/96/15/85/472961585.db2.gz BITFXYOAUFUVQO-UKRRQHHQSA-N 1 0 336.436 2.931 10 5 EFBERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052528049 473118948 /nfs/dbraw/zinc/11/89/48/473118948.db2.gz HYMPMVSDWNINHA-UHFFFAOYSA-N 1 0 342.399 2.839 10 5 EFBERO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000052554885 473124349 /nfs/dbraw/zinc/12/43/49/473124349.db2.gz HRHUZCQBJLTAPM-INIZCTEOSA-N 1 0 327.384 2.936 10 5 EFBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814117 473126701 /nfs/dbraw/zinc/12/67/01/473126701.db2.gz MTAFMIXEAZRIHN-GOSISDBHSA-N 1 0 339.395 2.875 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123464750 473143235 /nfs/dbraw/zinc/14/32/35/473143235.db2.gz APKLWHRINAJVCI-GWCFXTLKSA-N 1 0 325.796 2.803 10 5 EFBERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000095418296 473200851 /nfs/dbraw/zinc/20/08/51/473200851.db2.gz IONWCFWAQFLRBK-WFASDCNBSA-N 1 0 334.420 2.961 10 5 EFBERO Cc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171504210 473400774 /nfs/dbraw/zinc/40/07/74/473400774.db2.gz QMXVYJMDYYYXTA-AWEZNQCLSA-N 1 0 332.404 2.995 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171640920 473428497 /nfs/dbraw/zinc/42/84/97/473428497.db2.gz GWASYGKSKQPWID-HNNXBMFYSA-N 1 0 342.399 2.803 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651514 473478901 /nfs/dbraw/zinc/47/89/01/473478901.db2.gz MDEPUHHPIJYDLT-IRXDYDNUSA-N 1 0 334.416 2.967 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178319904 473490187 /nfs/dbraw/zinc/49/01/87/473490187.db2.gz CEFRNVSSAJAIHU-MRXNPFEDSA-N 1 0 330.388 2.773 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000178338443 473494005 /nfs/dbraw/zinc/49/40/05/473494005.db2.gz RFMMRJUVHLZBQO-LBPRGKRZSA-N 1 0 334.420 2.629 10 5 EFBERO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165836285 473517009 /nfs/dbraw/zinc/51/70/09/473517009.db2.gz IQNDBRBMSUUAQD-SECBINFHSA-N 1 0 331.214 2.990 10 5 EFBERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565430 473532690 /nfs/dbraw/zinc/53/26/90/473532690.db2.gz LHCGMWZHAKWILW-PXAZEXFGSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152239306 473539710 /nfs/dbraw/zinc/53/97/10/473539710.db2.gz VESIURFVZCCBOB-GOSISDBHSA-N 1 0 343.383 2.912 10 5 EFBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152422898 473560816 /nfs/dbraw/zinc/56/08/16/473560816.db2.gz CDMLIRSSASXZBD-AWEZNQCLSA-N 1 0 327.388 2.901 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127316770 473598706 /nfs/dbraw/zinc/59/87/06/473598706.db2.gz GERVRNQSVFOTRF-CQSZACIVSA-N 1 0 347.415 2.551 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000127602658 473630522 /nfs/dbraw/zinc/63/05/22/473630522.db2.gz QZJWRLYIOSVLNR-YOEHRIQHSA-N 1 0 348.447 2.728 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000127602426 473630679 /nfs/dbraw/zinc/63/06/79/473630679.db2.gz QZJWRLYIOSVLNR-PBHICJAKSA-N 1 0 348.447 2.728 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153761999 473640251 /nfs/dbraw/zinc/64/02/51/473640251.db2.gz XASMFQJQUPVBOA-KBXCAEBGSA-N 1 0 343.427 2.992 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170931532 473649211 /nfs/dbraw/zinc/64/92/11/473649211.db2.gz HBXWLLSXNZCSBH-CQSZACIVSA-N 1 0 348.403 2.696 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127806347 473652621 /nfs/dbraw/zinc/65/26/21/473652621.db2.gz OKTQLJFPSBTLRE-DLBZAZTESA-N 1 0 330.388 2.944 10 5 EFBERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000186415503 473670914 /nfs/dbraw/zinc/67/09/14/473670914.db2.gz GNGOEHNSRIOBBH-UHFFFAOYSA-N 1 0 348.790 2.981 10 5 EFBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186488160 473680916 /nfs/dbraw/zinc/68/09/16/473680916.db2.gz UERKFSDGMNDZKY-HNNXBMFYSA-N 1 0 346.431 2.530 10 5 EFBERO CSc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000192471634 473683679 /nfs/dbraw/zinc/68/36/79/473683679.db2.gz PCHBQALYBJZECB-GFCCVEGCSA-N 1 0 337.445 2.921 10 5 EFBERO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000172866368 473694728 /nfs/dbraw/zinc/69/47/28/473694728.db2.gz LMZZURHKYVZTQV-RYUDHWBXSA-N 1 0 349.412 2.654 10 5 EFBERO O=C(NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192765599 473721635 /nfs/dbraw/zinc/72/16/35/473721635.db2.gz HYHXLCDQHFYYFT-SFHVURJKSA-N 1 0 339.395 2.992 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000172994520 473722150 /nfs/dbraw/zinc/72/21/50/473722150.db2.gz WINZURIOKVDBCZ-OAHLLOKOSA-N 1 0 331.416 2.994 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180109811 473801376 /nfs/dbraw/zinc/80/13/76/473801376.db2.gz HSOQJKBVQAUOHL-HKUYNNGSSA-N 1 0 339.395 2.699 10 5 EFBERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246297495 473820206 /nfs/dbraw/zinc/82/02/06/473820206.db2.gz PMLNESPOTYQMPL-BRWVUGGUSA-N 1 0 334.416 2.908 10 5 EFBERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173403594 473827523 /nfs/dbraw/zinc/82/75/23/473827523.db2.gz YSETUKZRDSJKCN-KBXCAEBGSA-N 1 0 341.411 2.945 10 5 EFBERO COc1ccc(OCCN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173538279 473870002 /nfs/dbraw/zinc/87/00/02/473870002.db2.gz GURPZNKFPIMAMC-UHFFFAOYSA-N 1 0 349.431 2.542 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194489264 473905254 /nfs/dbraw/zinc/90/52/54/473905254.db2.gz QBNWNBWECVCINS-UHFFFAOYSA-N 1 0 346.431 2.612 10 5 EFBERO NC(=O)c1coc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723432 473909463 /nfs/dbraw/zinc/90/94/63/473909463.db2.gz GDWCPMVZTMWSEL-BLLLJJGKSA-N 1 0 343.383 2.788 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246844023 473980330 /nfs/dbraw/zinc/98/03/30/473980330.db2.gz FDHLZTJTCKRDQY-SWLSCSKDSA-N 1 0 337.445 2.532 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105543 473987601 /nfs/dbraw/zinc/98/76/01/473987601.db2.gz WZTMMTSTDOLNEV-KCQAQPDRSA-N 1 0 334.420 2.780 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000174169753 473999539 /nfs/dbraw/zinc/99/95/39/473999539.db2.gz JQQAKUHCMCHJIQ-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000195122024 474008880 /nfs/dbraw/zinc/00/88/80/474008880.db2.gz FGXAMXNMVGWJJA-NSHDSACASA-N 1 0 331.397 2.896 10 5 EFBERO Cc1sc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270219961 474034242 /nfs/dbraw/zinc/03/42/42/474034242.db2.gz MNTJXSLUIBRYOH-ZDUSSCGKSA-N 1 0 337.445 2.769 10 5 EFBERO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264564649 474039961 /nfs/dbraw/zinc/03/99/61/474039961.db2.gz VPJBEGLOVUSGDL-KRWDZBQOSA-N 1 0 332.448 2.510 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247181407 474081699 /nfs/dbraw/zinc/08/16/99/474081699.db2.gz VXWUQHHVZUKSJB-IJEWVQPXSA-N 1 0 346.431 2.842 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497385 474087684 /nfs/dbraw/zinc/08/76/84/474087684.db2.gz XXLWNNIJVXWYSP-LSDHHAIUSA-N 1 0 330.388 2.908 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288964497 474105814 /nfs/dbraw/zinc/10/58/14/474105814.db2.gz UBCXBHTWYIUNNW-HUUCEWRRSA-N 1 0 329.404 2.977 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000288964515 474105903 /nfs/dbraw/zinc/10/59/03/474105903.db2.gz UBCXBHTWYIUNNW-LSDHHAIUSA-N 1 0 329.404 2.977 10 5 EFBERO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)CC1 ZINC000174876643 474110394 /nfs/dbraw/zinc/11/03/94/474110394.db2.gz PKAVUGKHCNZGFK-DQPZFDDXSA-N 1 0 336.436 2.851 10 5 EFBERO COc1cc(CN[C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000275241684 474116194 /nfs/dbraw/zinc/11/61/94/474116194.db2.gz XFWMYCRZYBIUKR-QMMMGPOBSA-N 1 0 342.302 2.779 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175048944 474137258 /nfs/dbraw/zinc/13/72/58/474137258.db2.gz HVQLIONIBKLLMG-DGCLKSJQSA-N 1 0 337.807 2.947 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247398554 474137973 /nfs/dbraw/zinc/13/79/73/474137973.db2.gz MLWSSFKLCKHDCB-GJZGRUSLSA-N 1 0 349.431 2.552 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247398562 474138307 /nfs/dbraw/zinc/13/83/07/474138307.db2.gz MLWSSFKLCKHDCB-LSDHHAIUSA-N 1 0 349.431 2.552 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247467239 474152835 /nfs/dbraw/zinc/15/28/35/474152835.db2.gz RIYRGDKRQRKRFH-RYUDHWBXSA-N 1 0 335.429 2.625 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282682717 474153905 /nfs/dbraw/zinc/15/39/05/474153905.db2.gz KNRWTFRLKMVDPN-DOTOQJQBSA-N 1 0 334.416 2.561 10 5 EFBERO COc1ccc(OCCN2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000247514113 474169759 /nfs/dbraw/zinc/16/97/59/474169759.db2.gz MTPBMZNTMJQUOB-ZBFHGGJFSA-N 1 0 336.388 2.626 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175543900 474246586 /nfs/dbraw/zinc/24/65/86/474246586.db2.gz BJYAVGBABLALSB-NSHDSACASA-N 1 0 325.796 2.805 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000182748920 474247546 /nfs/dbraw/zinc/24/75/46/474247546.db2.gz KFWRKHBSKSLSJK-HNNXBMFYSA-N 1 0 341.415 2.967 10 5 EFBERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235835671 474270405 /nfs/dbraw/zinc/27/04/05/474270405.db2.gz ARIKVTUGOJPGGT-JTQLQIEISA-N 1 0 328.210 2.841 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000248375621 474299969 /nfs/dbraw/zinc/29/99/69/474299969.db2.gz XJXFRFMSKHJETK-BZUAXINKSA-N 1 0 334.416 2.989 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265739057 474316380 /nfs/dbraw/zinc/31/63/80/474316380.db2.gz BNDIDJCPTMYDRF-AWEZNQCLSA-N 1 0 333.432 2.863 10 5 EFBERO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953904 474347577 /nfs/dbraw/zinc/34/75/77/474347577.db2.gz YNPYAAKUFJMRNH-HOCLYGCPSA-N 1 0 334.420 2.829 10 5 EFBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212189 474358460 /nfs/dbraw/zinc/35/84/60/474358460.db2.gz MTZDARVPGFRPBT-ONXXMXGDSA-N 1 0 337.807 2.532 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000183298674 474369849 /nfs/dbraw/zinc/36/98/49/474369849.db2.gz CQVFMCFVLQUZOI-UZICZHQRSA-N 1 0 343.427 2.941 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000183304183 474372418 /nfs/dbraw/zinc/37/24/18/474372418.db2.gz SNCYKESZHDPLQL-ABDJAZHISA-N 1 0 329.400 2.695 10 5 EFBERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000271153442 474407660 /nfs/dbraw/zinc/40/76/60/474407660.db2.gz VAGUNFJTMZOGID-UHFFFAOYSA-N 1 0 343.387 2.552 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000608908510 480104587 /nfs/dbraw/zinc/10/45/87/480104587.db2.gz ZWDFRRMYPHVWGZ-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO O=[N+]([O-])c1ccccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189683086 474463262 /nfs/dbraw/zinc/46/32/62/474463262.db2.gz JHJPBVJVRGQCFW-UHFFFAOYSA-N 1 0 327.388 2.518 10 5 EFBERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190135515 474552936 /nfs/dbraw/zinc/55/29/36/474552936.db2.gz FGKCDPYBKFWFTK-AWEZNQCLSA-N 1 0 337.420 2.618 10 5 EFBERO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190135533 474553121 /nfs/dbraw/zinc/55/31/21/474553121.db2.gz FGKCDPYBKFWFTK-CQSZACIVSA-N 1 0 337.420 2.618 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249380245 474563678 /nfs/dbraw/zinc/56/36/78/474563678.db2.gz PZSBVLPFZJYBEC-VXGBXAGGSA-N 1 0 348.321 2.609 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000184716028 474593541 /nfs/dbraw/zinc/59/35/41/474593541.db2.gz XVNRSVLJHWIRSC-MRXNPFEDSA-N 1 0 345.443 2.860 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277955822 474599773 /nfs/dbraw/zinc/59/97/73/474599773.db2.gz TUWAXQNWIAHDMV-ZDUSSCGKSA-N 1 0 335.407 2.918 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000249614846 474600551 /nfs/dbraw/zinc/60/05/51/474600551.db2.gz ZTQDWMYAAHPSBU-QWHCGFSZSA-N 1 0 337.445 2.676 10 5 EFBERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914862 474640191 /nfs/dbraw/zinc/64/01/91/474640191.db2.gz HIALLCURJAZCGY-ZIAGYGMSSA-N 1 0 346.383 2.694 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000251783696 474646124 /nfs/dbraw/zinc/64/61/24/474646124.db2.gz LMVOSVWAAZUQKY-BBRMVZONSA-N 1 0 335.404 2.589 10 5 EFBERO COc1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252477370 474663026 /nfs/dbraw/zinc/66/30/26/474663026.db2.gz MQMACDRHCXUVHG-VNQPRFMTSA-N 1 0 349.431 2.905 10 5 EFBERO CC(C)Oc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000340843203 474710403 /nfs/dbraw/zinc/71/04/03/474710403.db2.gz BDBFWLNLUQAGLI-KRWDZBQOSA-N 1 0 344.415 2.914 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278732942 474802152 /nfs/dbraw/zinc/80/21/52/474802152.db2.gz LDWCRXYYWJRJOY-VXGBXAGGSA-N 1 0 348.321 2.609 10 5 EFBERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000344951999 474817817 /nfs/dbraw/zinc/81/78/17/474817817.db2.gz LDMSXFDNGABSFS-UHFFFAOYSA-N 1 0 342.355 2.544 10 5 EFBERO CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255234073 474824529 /nfs/dbraw/zinc/82/45/29/474824529.db2.gz XAUFESRYYZCGFX-BQLWYNFJSA-N 1 0 333.432 2.651 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000310919180 474831644 /nfs/dbraw/zinc/83/16/44/474831644.db2.gz JKAIPQAQPFJJBL-UHFFFAOYSA-N 1 0 337.383 2.793 10 5 EFBERO CO[C@@H]1CC[C@@H]2OCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000255335966 474837408 /nfs/dbraw/zinc/83/74/08/474837408.db2.gz HJLCFGJDDBMYIK-ZMSYEMKQSA-N 1 0 332.400 2.876 10 5 EFBERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000255390200 474849792 /nfs/dbraw/zinc/84/97/92/474849792.db2.gz FDHYIFWPXKNHOX-QKIRZYONSA-N 1 0 333.432 2.651 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609257831 480131935 /nfs/dbraw/zinc/13/19/35/480131935.db2.gz GURNBSWIJKARLX-MRXNPFEDSA-N 1 0 330.388 2.897 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000273452966 474905891 /nfs/dbraw/zinc/90/58/91/474905891.db2.gz ZGULRMKYHCITOU-GOSISDBHSA-N 1 0 339.395 2.794 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292255288 474925211 /nfs/dbraw/zinc/92/52/11/474925211.db2.gz FANVLLZBKGPTQB-CYBMUJFWSA-N 1 0 331.416 2.850 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322050347 474934710 /nfs/dbraw/zinc/93/47/10/474934710.db2.gz ARNXVOICMDDWKJ-NHYWBVRUSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322120819 474936378 /nfs/dbraw/zinc/93/63/78/474936378.db2.gz REZDYPXXRBKUDZ-RISCZKNCSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322305456 474937730 /nfs/dbraw/zinc/93/77/30/474937730.db2.gz AMJMNORBDPEHJW-IAQYHMDHSA-N 1 0 337.807 2.852 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341069234 474938763 /nfs/dbraw/zinc/93/87/63/474938763.db2.gz OKAVDUXSGSPUAS-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO CNC(=O)c1ccc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341126224 475003126 /nfs/dbraw/zinc/00/31/26/475003126.db2.gz NNKSBCGJYMOQMU-BETUJISGSA-N 1 0 334.420 2.629 10 5 EFBERO COC(=O)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268478157 475004662 /nfs/dbraw/zinc/00/46/62/475004662.db2.gz KCXJAEZHOLVXMH-CQSZACIVSA-N 1 0 347.415 2.754 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000328572754 475031927 /nfs/dbraw/zinc/03/19/27/475031927.db2.gz UXJSISLJKSVZGI-CYBMUJFWSA-N 1 0 325.368 2.681 10 5 EFBERO [NH3+]CCN(CCc1ccccc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261704335 475034022 /nfs/dbraw/zinc/03/40/22/475034022.db2.gz JWTIUHSHVSVXHQ-UHFFFAOYSA-N 1 0 341.411 2.557 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000261750715 475049387 /nfs/dbraw/zinc/04/93/87/475049387.db2.gz FDWSSDCYXLKTFY-JPZVUWATSA-N 1 0 349.456 2.709 10 5 EFBERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337486253 475061284 /nfs/dbraw/zinc/06/12/84/475061284.db2.gz SPTAJIQXICDNPW-WQVCFCJDSA-N 1 0 338.429 2.537 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000341588536 475170221 /nfs/dbraw/zinc/17/02/21/475170221.db2.gz KZYFXOPXBKPZRG-NSHDSACASA-N 1 0 343.339 2.613 10 5 EFBERO CN(C(=O)C[NH2+][C@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000347332563 475239267 /nfs/dbraw/zinc/23/92/67/475239267.db2.gz CDNCYQSOFMKKBG-SFHVURJKSA-N 1 0 340.383 2.694 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262454034 475244166 /nfs/dbraw/zinc/24/41/66/475244166.db2.gz GSPGRYNMNPKOQD-JQHSSLGASA-N 1 0 345.443 2.954 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339497556 475255599 /nfs/dbraw/zinc/25/55/99/475255599.db2.gz GQCKMRMAIMMOTG-UHFFFAOYSA-N 1 0 342.399 2.993 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000347397351 475296232 /nfs/dbraw/zinc/29/62/32/475296232.db2.gz FZFQFXIHUFWZCV-SECBINFHSA-N 1 0 345.241 2.625 10 5 EFBERO Cc1c(Br)c(N2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000347403060 475299679 /nfs/dbraw/zinc/29/96/79/475299679.db2.gz IRAXUTFFDCLVMQ-UHFFFAOYSA-N 1 0 343.225 2.591 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000361278309 475322304 /nfs/dbraw/zinc/32/23/04/475322304.db2.gz LHWRIAYPCCXFBI-GFCCVEGCSA-N 1 0 342.399 2.903 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339596444 475330798 /nfs/dbraw/zinc/33/07/98/475330798.db2.gz UEGWQNYQIJFWNQ-USXIJHARSA-N 1 0 330.388 2.608 10 5 EFBERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296509473 475348577 /nfs/dbraw/zinc/34/85/77/475348577.db2.gz OLSARCIXNXRJOC-IICXIOTHSA-N 1 0 346.431 2.970 10 5 EFBERO COc1cc(C[N@H+](CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352526059 475381037 /nfs/dbraw/zinc/38/10/37/475381037.db2.gz JUJASTANFKHBFF-UHFFFAOYSA-N 1 0 330.384 2.988 10 5 EFBERO Cc1cnn(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000341891372 475388149 /nfs/dbraw/zinc/38/81/49/475388149.db2.gz CZEVURYQSIQCFM-UHFFFAOYSA-N 1 0 330.388 2.643 10 5 EFBERO CNC(=O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352556204 475410568 /nfs/dbraw/zinc/41/05/68/475410568.db2.gz WQBXBNICVBIKLQ-SFHVURJKSA-N 1 0 327.384 2.800 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358188714 475471712 /nfs/dbraw/zinc/47/17/12/475471712.db2.gz LNEUYSPETFGNQO-HNNXBMFYSA-N 1 0 346.431 2.915 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1cccnc1 ZINC000348210070 475489367 /nfs/dbraw/zinc/48/93/67/475489367.db2.gz BLFSXDRQMQZPCQ-RHSMWYFYSA-N 1 0 329.400 2.677 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000342014370 475504159 /nfs/dbraw/zinc/50/41/59/475504159.db2.gz HEWGPIPZJCUXDD-CQSZACIVSA-N 1 0 338.404 2.609 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000338018801 475510500 /nfs/dbraw/zinc/51/05/00/475510500.db2.gz YYUXVBCULJIGBF-JKSUJKDBSA-N 1 0 338.429 2.537 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000296868032 475513431 /nfs/dbraw/zinc/51/34/31/475513431.db2.gz HASADGVEEOKLLE-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296885144 475520912 /nfs/dbraw/zinc/52/09/12/475520912.db2.gz HZCDGWFXVCKBCN-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247508 475522018 /nfs/dbraw/zinc/52/20/18/475522018.db2.gz SSAAYWSYBCUTBW-IJLUTSLNSA-N 1 0 348.321 2.607 10 5 EFBERO COc1c[nH+]ccc1N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529052 475523167 /nfs/dbraw/zinc/52/31/67/475523167.db2.gz BYTPULHRQZHTBH-CQSZACIVSA-N 1 0 342.399 2.882 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000354923742 475524820 /nfs/dbraw/zinc/52/48/20/475524820.db2.gz NOBIXDGSSPPSFO-CYBMUJFWSA-N 1 0 336.388 2.911 10 5 EFBERO O=C(CC[N@H+]1CCCCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000342058425 475540232 /nfs/dbraw/zinc/54/02/32/475540232.db2.gz JNQOOTLIUOTHHJ-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000297019322 475577351 /nfs/dbraw/zinc/57/73/51/475577351.db2.gz LHHBTVSWLFUFNV-BTFYYFJDSA-N 1 0 346.431 2.970 10 5 EFBERO COc1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352771226 475606123 /nfs/dbraw/zinc/60/61/23/475606123.db2.gz NCBKTUOOWIGTBR-UHFFFAOYSA-N 1 0 337.420 2.634 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000361634797 475617295 /nfs/dbraw/zinc/61/72/95/475617295.db2.gz CGOWWAOERFCOEW-OAHLLOKOSA-N 1 0 343.383 2.570 10 5 EFBERO O=C1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000352781599 475619831 /nfs/dbraw/zinc/61/98/31/475619831.db2.gz DRFSHHHXNYHIIH-QAPCUYQASA-N 1 0 325.368 2.552 10 5 EFBERO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355042635 475621147 /nfs/dbraw/zinc/62/11/47/475621147.db2.gz SZNHUEBTZAZNLE-AWEZNQCLSA-N 1 0 348.399 2.935 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087686 475748448 /nfs/dbraw/zinc/74/84/48/475748448.db2.gz BRLCGZNTXRPMFT-GJZGRUSLSA-N 1 0 348.447 2.699 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340166507 475817926 /nfs/dbraw/zinc/81/79/26/475817926.db2.gz FUJDOSZAWCCCDN-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)c1 ZINC000353281435 475829680 /nfs/dbraw/zinc/82/96/80/475829680.db2.gz JEHHEUZEXWTWLH-UHFFFAOYSA-N 1 0 335.404 2.915 10 5 EFBERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000340333044 475954274 /nfs/dbraw/zinc/95/42/74/475954274.db2.gz MOEPROBXJGRWDQ-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO NC(=O)CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000353432020 475961134 /nfs/dbraw/zinc/96/11/34/475961134.db2.gz YNUYFCTXKFUWFA-UHFFFAOYSA-N 1 0 329.356 2.743 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000340375659 475991339 /nfs/dbraw/zinc/99/13/39/475991339.db2.gz SZFKNBXNEYRSBI-IRXDYDNUSA-N 1 0 343.358 2.909 10 5 EFBERO CC[NH+]1CCC(Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000298186049 476011149 /nfs/dbraw/zinc/01/11/49/476011149.db2.gz IAXGCOKNWVWTAG-ALCCZGGFSA-N 1 0 333.388 2.677 10 5 EFBERO O=[N+]([O-])c1ccccc1Cc1noc(Cn2cnc3c2CCCC3)n1 ZINC000349886679 476014149 /nfs/dbraw/zinc/01/41/49/476014149.db2.gz BUAZLEFKERVSRO-UHFFFAOYSA-N 1 0 339.355 2.692 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347017498 476036619 /nfs/dbraw/zinc/03/66/19/476036619.db2.gz OXNAELRBVNAQRE-WFASDCNBSA-N 1 0 349.456 2.771 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347017570 476037276 /nfs/dbraw/zinc/03/72/76/476037276.db2.gz POMPVULPZIPSQV-CYBMUJFWSA-N 1 0 335.429 2.625 10 5 EFBERO COC1CCN(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350117183 476055155 /nfs/dbraw/zinc/05/51/55/476055155.db2.gz XWZODFDCJQLQLL-UHFFFAOYSA-N 1 0 335.448 2.882 10 5 EFBERO CC(C)[N@H+](C)CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359037225 476134933 /nfs/dbraw/zinc/13/49/33/476134933.db2.gz DCJAGGWUDIMZQR-UHFFFAOYSA-N 1 0 345.346 2.656 10 5 EFBERO C[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033870 476148570 /nfs/dbraw/zinc/14/85/70/476148570.db2.gz FZGXFZZNIHYTAW-WMLDXEAASA-N 1 0 329.400 2.988 10 5 EFBERO C[NH+](C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)ccc1F ZINC000357038944 476179161 /nfs/dbraw/zinc/17/91/61/476179161.db2.gz AGSNNFNUOQYEBC-UHFFFAOYSA-N 1 0 331.307 2.841 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000359099891 476187871 /nfs/dbraw/zinc/18/78/71/476187871.db2.gz OXXUMOYAQMEJID-GASCZTMLSA-N 1 0 336.436 2.908 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357105108 476235808 /nfs/dbraw/zinc/23/58/08/476235808.db2.gz XDXVDOAQHSMZLU-KSSFIOAISA-N 1 0 347.415 2.814 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357105110 476235863 /nfs/dbraw/zinc/23/58/63/476235863.db2.gz XDXVDOAQHSMZLU-RDTXWAMCSA-N 1 0 347.415 2.814 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)n2)cc1 ZINC000362450315 476260904 /nfs/dbraw/zinc/26/09/04/476260904.db2.gz JPDXXEFDGLSBED-ZFWWWQNUSA-N 1 0 344.371 2.646 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362454429 476263248 /nfs/dbraw/zinc/26/32/48/476263248.db2.gz QIGNRNFCYLTCTG-RHSMWYFYSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362455716 476264571 /nfs/dbraw/zinc/26/45/71/476264571.db2.gz SWRFIHNZZOXZSK-RHSMWYFYSA-N 1 0 347.415 2.733 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000353920926 476324869 /nfs/dbraw/zinc/32/48/69/476324869.db2.gz GKBNSRATWANBNJ-UHFFFAOYSA-N 1 0 332.404 2.931 10 5 EFBERO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)c1 ZINC000351224991 476370238 /nfs/dbraw/zinc/37/02/38/476370238.db2.gz NXTZJVAHXSMQFA-RYUDHWBXSA-N 1 0 346.387 2.775 10 5 EFBERO Cc1cncn1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369167734 476395325 /nfs/dbraw/zinc/39/53/25/476395325.db2.gz WCJKGFNVKGEOCU-UHFFFAOYSA-N 1 0 332.335 2.716 10 5 EFBERO C[C@@H]1C[NH+](Cc2cccc(Nc3ccncc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000361004726 476536433 /nfs/dbraw/zinc/53/64/33/476536433.db2.gz ZRJVRROTRWMFLN-ZIAGYGMSSA-N 1 0 342.399 2.765 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000377781051 476577671 /nfs/dbraw/zinc/57/76/71/476577671.db2.gz ZVIDFTXQLKOYKE-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374987970 476623072 /nfs/dbraw/zinc/62/30/72/476623072.db2.gz MTLBQSNSWKBTSE-UHOSZYNNSA-N 1 0 342.395 2.996 10 5 EFBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000370039947 476644052 /nfs/dbraw/zinc/64/40/52/476644052.db2.gz FUKUVBYTPDNRPO-UHFFFAOYSA-N 1 0 341.415 2.528 10 5 EFBERO CO[C@H](C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000354450266 476669573 /nfs/dbraw/zinc/66/95/73/476669573.db2.gz KBJMGPQPFLGKAM-GFCCVEGCSA-N 1 0 334.376 2.890 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451899566 476707593 /nfs/dbraw/zinc/70/75/93/476707593.db2.gz KSHLJVJNKOHDJT-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000446070545 476820250 /nfs/dbraw/zinc/82/02/50/476820250.db2.gz HKKUIKXMLXEOHZ-UBHSHLNASA-N 1 0 335.404 2.730 10 5 EFBERO Cc1c(NC(=O)CC[NH2+]C(C)(C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000452095706 476820647 /nfs/dbraw/zinc/82/06/47/476820647.db2.gz LWYRALZYDMTUHH-UHFFFAOYSA-N 1 0 348.447 2.696 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000452096654 476821323 /nfs/dbraw/zinc/82/13/23/476821323.db2.gz YKJCEHPMASAFJB-KBPBESRZSA-N 1 0 335.404 2.670 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000452098816 476822980 /nfs/dbraw/zinc/82/29/80/476822980.db2.gz GAESCQAGWFRVTC-LBPRGKRZSA-N 1 0 326.368 2.991 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446075456 476823281 /nfs/dbraw/zinc/82/32/81/476823281.db2.gz YQQXGEDGTIAKQH-MJBXVCDLSA-N 1 0 335.404 2.730 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000452101635 476825182 /nfs/dbraw/zinc/82/51/82/476825182.db2.gz JPYPMDYIOAABAQ-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452109697 476830447 /nfs/dbraw/zinc/83/04/47/476830447.db2.gz WXSOBGDJSUAZNP-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366127251 476873273 /nfs/dbraw/zinc/87/32/73/476873273.db2.gz PAZRNAQHVBFFJN-HUUCEWRRSA-N 1 0 346.431 2.716 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415580297 476941492 /nfs/dbraw/zinc/94/14/92/476941492.db2.gz LOLADNNXGFRXRY-PBWFPOADSA-N 1 0 332.404 2.958 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415654321 476947551 /nfs/dbraw/zinc/94/75/51/476947551.db2.gz JBRUTBORJQECIB-KRWDZBQOSA-N 1 0 348.403 2.601 10 5 EFBERO N[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235113 476971013 /nfs/dbraw/zinc/97/10/13/476971013.db2.gz GHPHDLWFTLOPRL-OAGGEKHMSA-N 1 0 329.404 2.565 10 5 EFBERO N[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235114 476971137 /nfs/dbraw/zinc/97/11/37/476971137.db2.gz GHPHDLWFTLOPRL-OWCLPIDISA-N 1 0 329.404 2.565 10 5 EFBERO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc1 ZINC000366503135 477043977 /nfs/dbraw/zinc/04/39/77/477043977.db2.gz CPBYNEKDUUHBAT-UHFFFAOYSA-N 1 0 345.325 2.602 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375900183 477072009 /nfs/dbraw/zinc/07/20/09/477072009.db2.gz GNOWFGATXHFLRI-HIFRSBDPSA-N 1 0 347.415 2.692 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000366617656 477099534 /nfs/dbraw/zinc/09/95/34/477099534.db2.gz LEWCYZYIIWAWNA-CYBMUJFWSA-N 1 0 328.372 2.773 10 5 EFBERO COC1([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000453197571 477188939 /nfs/dbraw/zinc/18/89/39/477188939.db2.gz NFQAPYGVDOLTCH-LBPRGKRZSA-N 1 0 342.823 2.964 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)C(=O)NC ZINC000453389006 477219058 /nfs/dbraw/zinc/21/90/58/477219058.db2.gz CIURQYCHNAXGDB-VXGBXAGGSA-N 1 0 325.434 2.580 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423952327 477230763 /nfs/dbraw/zinc/23/07/63/477230763.db2.gz IPULVUYJRFBDIV-XJKSGUPXSA-N 1 0 349.456 2.678 10 5 EFBERO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423968135 477237172 /nfs/dbraw/zinc/23/71/72/477237172.db2.gz HVSUKNLMVMFGBT-CABCVRRESA-N 1 0 347.415 2.598 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423980922 477243372 /nfs/dbraw/zinc/24/33/72/477243372.db2.gz ZBKZTOMMBTVCFT-INIZCTEOSA-N 1 0 328.372 2.508 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423987478 477247507 /nfs/dbraw/zinc/24/75/07/477247507.db2.gz YTUBHEASJVQEDC-DOTOQJQBSA-N 1 0 331.416 2.518 10 5 EFBERO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cccc(F)c1 ZINC000411475516 477250056 /nfs/dbraw/zinc/25/00/56/477250056.db2.gz DQHSPIQGBASATD-UHFFFAOYSA-N 1 0 344.346 2.516 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424059880 477278548 /nfs/dbraw/zinc/27/85/48/477278548.db2.gz WBQCZOHOVZYBTE-UHFFFAOYSA-N 1 0 335.429 2.675 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000433058324 477304587 /nfs/dbraw/zinc/30/45/87/477304587.db2.gz ALGVQTUGQQPUCM-SEEARECTSA-N 1 0 338.429 2.537 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367067471 477325883 /nfs/dbraw/zinc/32/58/83/477325883.db2.gz NFOAQBGTKCINGG-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO O=C(CC[N@@H+]1CCOCC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411790918 477369045 /nfs/dbraw/zinc/36/90/45/477369045.db2.gz KKYQKJITSMOFID-UHFFFAOYSA-N 1 0 347.415 2.959 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966981 477400475 /nfs/dbraw/zinc/40/04/75/477400475.db2.gz CMTYDXSXVSHTCE-XWIAVFTESA-N 1 0 339.395 2.857 10 5 EFBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000367225723 477403625 /nfs/dbraw/zinc/40/36/25/477403625.db2.gz RNDINHMFTJOHOY-PBFPGSCMSA-N 1 0 338.379 2.892 10 5 EFBERO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412095498 477410200 /nfs/dbraw/zinc/41/02/00/477410200.db2.gz XTAIXDPHDGIAGK-CYBMUJFWSA-N 1 0 325.796 2.737 10 5 EFBERO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454894275 477420810 /nfs/dbraw/zinc/42/08/10/477420810.db2.gz OCOZDOCTAGCMRB-KTAKPFMOSA-N 1 0 346.431 2.972 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])cc1OC ZINC000367438528 477509294 /nfs/dbraw/zinc/50/92/94/477509294.db2.gz NNBLQFFTJXZMOT-QGZVFWFLSA-N 1 0 336.388 2.615 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371865052 477533245 /nfs/dbraw/zinc/53/32/45/477533245.db2.gz RCMJFUBTHGAKTL-WMZOPIPTSA-N 1 0 344.415 2.725 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)cc1C(F)(F)F ZINC000450617503 477656884 /nfs/dbraw/zinc/65/68/84/477656884.db2.gz RDAXMOPTWRNHMY-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2CCO)cc1C(F)(F)F ZINC000450617502 477656950 /nfs/dbraw/zinc/65/69/50/477656950.db2.gz RDAXMOPTWRNHMY-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000413430487 477676381 /nfs/dbraw/zinc/67/63/81/477676381.db2.gz UJNFCTALYDPMAI-INIZCTEOSA-N 1 0 347.415 2.548 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427966807 477795853 /nfs/dbraw/zinc/79/58/53/477795853.db2.gz BFKDBEXQCVKTQJ-SWLSCSKDSA-N 1 0 335.404 2.859 10 5 EFBERO CC[N@H+](C)Cc1cccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000427994815 477801489 /nfs/dbraw/zinc/80/14/89/477801489.db2.gz UFKQYUJDPDENJU-UHFFFAOYSA-N 1 0 339.399 2.957 10 5 EFBERO COc1cc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000438334096 477826756 /nfs/dbraw/zinc/82/67/56/477826756.db2.gz JXKCKUSBQLVGAM-QGZVFWFLSA-N 1 0 338.404 2.730 10 5 EFBERO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438479757 477849372 /nfs/dbraw/zinc/84/93/72/477849372.db2.gz CRXHJVRRSBNKMC-CYBMUJFWSA-N 1 0 335.404 2.910 10 5 EFBERO CC[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000493870228 477866646 /nfs/dbraw/zinc/86/66/46/477866646.db2.gz DGYIZBPGFHLHPB-CYBMUJFWSA-N 1 0 341.839 2.791 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000420990451 477882569 /nfs/dbraw/zinc/88/25/69/477882569.db2.gz FSHXNELPJMMMHT-CQSZACIVSA-N 1 0 347.415 2.611 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991232 477883496 /nfs/dbraw/zinc/88/34/96/477883496.db2.gz IGFANDNJNOHVRN-OAHLLOKOSA-N 1 0 347.415 2.611 10 5 EFBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249815 477902613 /nfs/dbraw/zinc/90/26/13/477902613.db2.gz CJAJSBIUEJVBOM-CJNGLKHVSA-N 1 0 331.372 2.843 10 5 EFBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249817 477904553 /nfs/dbraw/zinc/90/45/53/477904553.db2.gz CJAJSBIUEJVBOM-XJKSGUPXSA-N 1 0 331.372 2.843 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438932143 477906683 /nfs/dbraw/zinc/90/66/83/477906683.db2.gz BEUIDOWBEDELNP-QWHCGFSZSA-N 1 0 337.807 2.913 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439093741 477927695 /nfs/dbraw/zinc/92/76/95/477927695.db2.gz AISRYXDEYQGUOI-CYBMUJFWSA-N 1 0 337.807 2.865 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451339682 477961306 /nfs/dbraw/zinc/96/13/06/477961306.db2.gz ITQIPHMLMFSUQB-KURKYZTESA-N 1 0 334.416 2.989 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360659 477974769 /nfs/dbraw/zinc/97/47/69/477974769.db2.gz FOEGNPDSXUIJGO-DZASIIFFSA-N 1 0 341.411 2.986 10 5 EFBERO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1[N+](=O)[O-] ZINC000459592338 477997139 /nfs/dbraw/zinc/99/71/39/477997139.db2.gz HKOAOGNUMGJJBZ-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO Cn1cnc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000459671240 478033866 /nfs/dbraw/zinc/03/38/66/478033866.db2.gz WDZOQXWVQCVXGY-UHFFFAOYSA-N 1 0 343.412 2.784 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494684120 478043753 /nfs/dbraw/zinc/04/37/53/478043753.db2.gz HWQUCABIDURNII-CYBMUJFWSA-N 1 0 349.412 2.617 10 5 EFBERO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000459722947 478060180 /nfs/dbraw/zinc/06/01/80/478060180.db2.gz AGRHFEFAAPPTJB-MRXNPFEDSA-N 1 0 330.384 2.778 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000494804050 478066371 /nfs/dbraw/zinc/06/63/71/478066371.db2.gz AQZJEUAYSIXTDU-UHFFFAOYSA-N 1 0 349.431 2.732 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000459740514 478066986 /nfs/dbraw/zinc/06/69/86/478066986.db2.gz JRTQHVOHBZYUGX-UHFFFAOYSA-N 1 0 348.399 2.959 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590663894 478278751 /nfs/dbraw/zinc/27/87/51/478278751.db2.gz AFJAJEKVKURDRF-CYBMUJFWSA-N 1 0 336.388 2.615 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000590661488 478280070 /nfs/dbraw/zinc/28/00/70/478280070.db2.gz ZFQWDHZEMXJWAE-CVEARBPZSA-N 1 0 348.399 2.771 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097798 478281995 /nfs/dbraw/zinc/28/19/95/478281995.db2.gz LETYMMJAJRFCBN-MFKMUULPSA-N 1 0 343.811 2.573 10 5 EFBERO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])nc12 ZINC000537146078 478288341 /nfs/dbraw/zinc/28/83/41/478288341.db2.gz NZLODRDIICDQBI-ZDUSSCGKSA-N 1 0 338.367 2.971 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000590698169 478296350 /nfs/dbraw/zinc/29/63/50/478296350.db2.gz YKGAMKAXMHSDHF-AWEZNQCLSA-N 1 0 329.404 2.926 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600227361 478297399 /nfs/dbraw/zinc/29/73/99/478297399.db2.gz AUOADJMWVZUFAP-OAHLLOKOSA-N 1 0 335.379 2.871 10 5 EFBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229356 478298619 /nfs/dbraw/zinc/29/86/19/478298619.db2.gz JSWAGCDJCONFRI-MRXNPFEDSA-N 1 0 349.406 2.800 10 5 EFBERO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594514623 478421665 /nfs/dbraw/zinc/42/16/65/478421665.db2.gz JWOVSPVVNKTPDY-GFCCVEGCSA-N 1 0 326.393 2.850 10 5 EFBERO CO[C@](C)(CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000594513861 478421878 /nfs/dbraw/zinc/42/18/78/478421878.db2.gz UCJUIGYPFAJJLU-MSOLQXFVSA-N 1 0 330.384 2.671 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc4n(n3)CCCC4)c2c1 ZINC000594522175 478425006 /nfs/dbraw/zinc/42/50/06/478425006.db2.gz YQJWYPXBRBRYEH-UHFFFAOYSA-N 1 0 339.399 2.941 10 5 EFBERO [NH3+]C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000594581070 478447752 /nfs/dbraw/zinc/44/77/52/478447752.db2.gz JXFMDBINGPUGIZ-NSHDSACASA-N 1 0 346.334 2.698 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597666991 478456070 /nfs/dbraw/zinc/45/60/70/478456070.db2.gz MJDHRDDUDMPPPX-UHFFFAOYSA-N 1 0 345.443 2.817 10 5 EFBERO CCOc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000597668945 478456916 /nfs/dbraw/zinc/45/69/16/478456916.db2.gz ZJOAYIKGHKDMSQ-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO O=c1[nH]c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597587 478457725 /nfs/dbraw/zinc/45/77/25/478457725.db2.gz DATVULJVPDKVSQ-LSDHHAIUSA-N 1 0 343.387 2.672 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3C3(O)CC3)n2)c1 ZINC000581929492 478468365 /nfs/dbraw/zinc/46/83/65/478468365.db2.gz FTZULAOORBCKNS-AWEZNQCLSA-N 1 0 344.371 2.524 10 5 EFBERO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C(F)(F)F ZINC000600740453 478499787 /nfs/dbraw/zinc/49/97/87/478499787.db2.gz YKVXODLNLNRSLQ-ZANVPECISA-N 1 0 335.301 2.836 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000591270341 478503628 /nfs/dbraw/zinc/50/36/28/478503628.db2.gz VIGVTAPFSSVZRW-UHFFFAOYSA-N 1 0 332.404 2.901 10 5 EFBERO O=C(CC[NH2+]C[C@@H]1CCN1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754748 478504821 /nfs/dbraw/zinc/50/48/21/478504821.db2.gz HYYNXDUBZJUWPZ-HNNXBMFYSA-N 1 0 346.431 2.530 10 5 EFBERO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594714031 478509214 /nfs/dbraw/zinc/50/92/14/478509214.db2.gz WGBKMYJTRYZTHW-LRDDRELGSA-N 1 0 325.368 2.833 10 5 EFBERO CN(CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cc[nH+]cc1 ZINC000540926333 478512732 /nfs/dbraw/zinc/51/27/32/478512732.db2.gz KWKWBPFLAFVRPJ-UHFFFAOYSA-N 1 0 342.399 2.868 10 5 EFBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)c1 ZINC000600790397 478522150 /nfs/dbraw/zinc/52/21/50/478522150.db2.gz AITVAVCVCSORRO-HNNXBMFYSA-N 1 0 326.396 2.949 10 5 EFBERO COc1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000594739413 478523829 /nfs/dbraw/zinc/52/38/29/478523829.db2.gz QFTMUYSHACSHHU-GOSISDBHSA-N 1 0 343.383 2.876 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597859265 478544327 /nfs/dbraw/zinc/54/43/27/478544327.db2.gz SMOKNSXWOZYCHV-LLVKDONJSA-N 1 0 325.796 2.851 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597857311 478544985 /nfs/dbraw/zinc/54/49/85/478544985.db2.gz CYIITKFGQYZQKX-NSHDSACASA-N 1 0 337.445 2.919 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859280 478545201 /nfs/dbraw/zinc/54/52/01/478545201.db2.gz SQCOPBXOKBPGNW-CYBMUJFWSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597859594 478546223 /nfs/dbraw/zinc/54/62/23/478546223.db2.gz VTCPARYRHOHNGZ-LBPRGKRZSA-N 1 0 325.796 2.851 10 5 EFBERO Cc1c(Br)c(N[C@@H]2CC[C@H](C)[NH2+]C2)ncc1[N+](=O)[O-] ZINC000600954433 478583694 /nfs/dbraw/zinc/58/36/94/478583694.db2.gz BPURRXUIXZWLOO-IONNQARKSA-N 1 0 329.198 2.613 10 5 EFBERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000600961438 478586399 /nfs/dbraw/zinc/58/63/99/478586399.db2.gz QYBPMJSAMQAOPL-NXEZZACHSA-N 1 0 328.210 2.697 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000594952713 478602900 /nfs/dbraw/zinc/60/29/00/478602900.db2.gz REIUBEHMNJRHMG-SCLBCKFNSA-N 1 0 346.383 2.996 10 5 EFBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600999472 478606155 /nfs/dbraw/zinc/60/61/55/478606155.db2.gz CIJJEYKVYPKDSP-DOTOQJQBSA-N 1 0 343.427 2.760 10 5 EFBERO CC[NH+]1CCC(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601013656 478613842 /nfs/dbraw/zinc/61/38/42/478613842.db2.gz ILQMPYQEGSBBQM-UHFFFAOYSA-N 1 0 345.443 2.865 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594974476 478613758 /nfs/dbraw/zinc/61/37/58/478613758.db2.gz MEFIPASHMTTZAY-OSEPDQNXSA-N 1 0 338.429 2.553 10 5 EFBERO O=[N+]([O-])c1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000594973587 478613967 /nfs/dbraw/zinc/61/39/67/478613967.db2.gz GOTZGLMQPCLHHQ-MRXNPFEDSA-N 1 0 347.440 2.513 10 5 EFBERO CC[C@](C)([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594978957 478614806 /nfs/dbraw/zinc/61/48/06/478614806.db2.gz DMYROPUUQUINFD-KRWDZBQOSA-N 1 0 336.388 2.815 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594978580 478615344 /nfs/dbraw/zinc/61/53/44/478615344.db2.gz FRLBEGQVDNJSOC-HOTGVXAUSA-N 1 0 344.415 2.838 10 5 EFBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](CC)C1 ZINC000598039843 478626760 /nfs/dbraw/zinc/62/67/60/478626760.db2.gz APWJSHRHIYJSAM-AWEZNQCLSA-N 1 0 331.372 2.897 10 5 EFBERO CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042592 478628410 /nfs/dbraw/zinc/62/84/10/478628410.db2.gz QFESTLYMMJUPTP-ZDUSSCGKSA-N 1 0 337.445 2.873 10 5 EFBERO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041448 478628717 /nfs/dbraw/zinc/62/87/17/478628717.db2.gz MAOJMVCCXOYGLY-QGZVFWFLSA-N 1 0 348.447 2.730 10 5 EFBERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556048 478629230 /nfs/dbraw/zinc/62/92/30/478629230.db2.gz KJADJFQHBJTWQY-ZBFHGGJFSA-N 1 0 331.416 2.643 10 5 EFBERO CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@H+](CC)C1 ZINC000598044168 478630056 /nfs/dbraw/zinc/63/00/56/478630056.db2.gz ZALUSNYHJGCWOT-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO COC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000595064775 478647945 /nfs/dbraw/zinc/64/79/45/478647945.db2.gz GFAYQPXVFNFQBB-WMLDXEAASA-N 1 0 336.432 2.947 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000595069665 478649875 /nfs/dbraw/zinc/64/98/75/478649875.db2.gz PORIYWZUZBWLDZ-ZFWWWQNUSA-N 1 0 326.343 2.930 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000595079285 478654247 /nfs/dbraw/zinc/65/42/47/478654247.db2.gz JNKFFKLWNFEUGV-XJKCOSOUSA-N 1 0 335.404 2.859 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595090261 478656025 /nfs/dbraw/zinc/65/60/25/478656025.db2.gz AERPXFYQIAENBU-IMRCBTMISA-N 1 0 344.415 2.558 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC1(C)C ZINC000595105368 478662636 /nfs/dbraw/zinc/66/26/36/478662636.db2.gz FLEUYUSIBNJHGT-QWHCGFSZSA-N 1 0 335.404 2.717 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894660 478680439 /nfs/dbraw/zinc/68/04/39/478680439.db2.gz VYERRGQZKBGCPE-ZBFHGGJFSA-N 1 0 331.416 2.816 10 5 EFBERO COCc1csc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148561 478688339 /nfs/dbraw/zinc/68/83/39/478688339.db2.gz CQSFJDVRMZLDNE-MRXNPFEDSA-N 1 0 336.413 2.800 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)C[NH+]1CCCC1 ZINC000601152731 478691448 /nfs/dbraw/zinc/69/14/48/478691448.db2.gz RFTKASPKIXZFME-UHFFFAOYSA-N 1 0 349.357 2.881 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595223778 478692550 /nfs/dbraw/zinc/69/25/50/478692550.db2.gz AOZMRYOIRYJJAB-CABCVRRESA-N 1 0 347.415 2.598 10 5 EFBERO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000601154021 478692748 /nfs/dbraw/zinc/69/27/48/478692748.db2.gz WRTKWDHBQBUGIO-GOSISDBHSA-N 1 0 348.374 2.826 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595226653 478694906 /nfs/dbraw/zinc/69/49/06/478694906.db2.gz XQJXIARDBFVNLE-IAGOWNOFSA-N 1 0 343.358 2.691 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N(CC[NH+](C)C)C1CCCC1 ZINC000601160180 478697673 /nfs/dbraw/zinc/69/76/73/478697673.db2.gz RSCSVJGCRVCASB-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000601163406 478699253 /nfs/dbraw/zinc/69/92/53/478699253.db2.gz IEDNZXPJLKGJTK-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000601171295 478703192 /nfs/dbraw/zinc/70/31/92/478703192.db2.gz LFKFUFTZPAWWSO-UHFFFAOYSA-N 1 0 330.363 2.888 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000601179487 478708271 /nfs/dbraw/zinc/70/82/71/478708271.db2.gz WLFPZEPVKUJSKY-WMLDXEAASA-N 1 0 342.374 2.840 10 5 EFBERO C[N@@H+]1CCC[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@H]21 ZINC000591923332 478709196 /nfs/dbraw/zinc/70/91/96/478709196.db2.gz LORWMJHRBJNPHO-GDBMZVCRSA-N 1 0 330.432 2.789 10 5 EFBERO C[N@@H+]1CCC[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@@H]21 ZINC000591923334 478709593 /nfs/dbraw/zinc/70/95/93/478709593.db2.gz LORWMJHRBJNPHO-HOCLYGCPSA-N 1 0 330.432 2.789 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000601190463 478714051 /nfs/dbraw/zinc/71/40/51/478714051.db2.gz ZGLSPESHTJSUOD-UWVGGRQHSA-N 1 0 347.341 2.776 10 5 EFBERO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000595285928 478714098 /nfs/dbraw/zinc/71/40/98/478714098.db2.gz BYHYBPUHWCCQPY-KRWDZBQOSA-N 1 0 348.447 2.707 10 5 EFBERO C[C@@H]1C[N@H+](CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCO1 ZINC000591936747 478716362 /nfs/dbraw/zinc/71/63/62/478716362.db2.gz LVVRDUKCOXGNFP-CQSZACIVSA-N 1 0 348.447 2.781 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000601203014 478721798 /nfs/dbraw/zinc/72/17/98/478721798.db2.gz LPIQVIHTNOGMRX-SNVBAGLBSA-N 1 0 347.341 2.776 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000601216367 478728142 /nfs/dbraw/zinc/72/81/42/478728142.db2.gz QDSDJLDPADGIER-UHFFFAOYSA-N 1 0 346.431 2.539 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601237886 478740772 /nfs/dbraw/zinc/74/07/72/478740772.db2.gz NOVJMFFORAIWDO-UXLLHSPISA-N 1 0 349.456 2.899 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564656495 478780747 /nfs/dbraw/zinc/78/07/47/478780747.db2.gz JIQAYUGVSHTSTQ-GOSISDBHSA-N 1 0 333.432 2.958 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564656497 478780827 /nfs/dbraw/zinc/78/08/27/478780827.db2.gz JIQAYUGVSHTSTQ-SFHVURJKSA-N 1 0 333.432 2.958 10 5 EFBERO C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476447 478807169 /nfs/dbraw/zinc/80/71/69/478807169.db2.gz RCUXYHITMOCIJE-IGCXYCKISA-N 1 0 338.379 2.892 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1SC ZINC000592173177 478814114 /nfs/dbraw/zinc/81/41/14/478814114.db2.gz RFQVYRWYIGCAGJ-YUELXQCFSA-N 1 0 326.418 2.602 10 5 EFBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592183070 478815957 /nfs/dbraw/zinc/81/59/57/478815957.db2.gz CPWMDKNIFHNDFW-YGRLFVJLSA-N 1 0 345.321 2.656 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592200470 478822573 /nfs/dbraw/zinc/82/25/73/478822573.db2.gz YZESVNCEVMKTJF-HOTGVXAUSA-N 1 0 334.416 2.989 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CCO)CCCC1 ZINC000595508116 478827543 /nfs/dbraw/zinc/82/75/43/478827543.db2.gz HVZQDPRXYKOVFJ-UHFFFAOYSA-N 1 0 335.404 2.517 10 5 EFBERO CO[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCOC1 ZINC000595520778 478832209 /nfs/dbraw/zinc/83/22/09/478832209.db2.gz DQLQUPGNRYSMLW-JFIYKMOQSA-N 1 0 334.416 2.826 10 5 EFBERO CCC(C)(C)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564854122 478832452 /nfs/dbraw/zinc/83/24/52/478832452.db2.gz MDXZXYXTSSJVFT-QGZVFWFLSA-N 1 0 346.431 2.630 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CCc1ccccc1)C2 ZINC000544402448 478832739 /nfs/dbraw/zinc/83/27/39/478832739.db2.gz MPWQGWMVSDOQFZ-KRWDZBQOSA-N 1 0 326.396 2.947 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)CC(F)(F)F)c2c1 ZINC000583377128 478836033 /nfs/dbraw/zinc/83/60/33/478836033.db2.gz AJVHROVDOKIYKC-LLVKDONJSA-N 1 0 331.294 2.522 10 5 EFBERO CN(c1nc2c(cc1[N+](=O)[O-])CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564891510 478849464 /nfs/dbraw/zinc/84/94/64/478849464.db2.gz UKLZZBCAIXNFBE-YIONKMFJSA-N 1 0 330.432 2.930 10 5 EFBERO Cc1noc(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595556754 478852696 /nfs/dbraw/zinc/85/26/96/478852696.db2.gz FTWBWUDLNNOANX-CVEARBPZSA-N 1 0 345.399 2.849 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601525701 478865339 /nfs/dbraw/zinc/86/53/39/478865339.db2.gz PCXAAUHITHDGTC-UHFFFAOYSA-N 1 0 333.432 2.817 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000601551898 478875653 /nfs/dbraw/zinc/87/56/53/478875653.db2.gz QYXARDFXJJFHIE-AWEZNQCLSA-N 1 0 339.395 2.989 10 5 EFBERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000601553049 478875916 /nfs/dbraw/zinc/87/59/16/478875916.db2.gz XKFQFNPNQYJEEC-HNNXBMFYSA-N 1 0 339.395 2.692 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601554927 478877064 /nfs/dbraw/zinc/87/70/64/478877064.db2.gz BHWAQQLMVMWSHM-ZENOOKHLSA-N 1 0 349.456 2.676 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601560489 478879308 /nfs/dbraw/zinc/87/93/08/478879308.db2.gz XTQREWAKISUDCP-OLZOCXBDSA-N 1 0 335.429 2.531 10 5 EFBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC000598530955 478881600 /nfs/dbraw/zinc/88/16/00/478881600.db2.gz BDFSQJLNYLCSAQ-JOYOIKCWSA-N 1 0 345.321 2.826 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000598531230 478881905 /nfs/dbraw/zinc/88/19/05/478881905.db2.gz FQOCOQMNHMKXBX-KBMXLJTQSA-N 1 0 333.432 2.762 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000601565147 478882844 /nfs/dbraw/zinc/88/28/44/478882844.db2.gz NAUABPJTYYFQLU-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592395499 478884267 /nfs/dbraw/zinc/88/42/67/478884267.db2.gz CNXGGUZWUSAVMI-KBXCAEBGSA-N 1 0 336.432 2.683 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425512 478891598 /nfs/dbraw/zinc/89/15/98/478891598.db2.gz HMIDEHFMJHXRMR-WMLDXEAASA-N 1 0 333.432 2.958 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425510 478891925 /nfs/dbraw/zinc/89/19/25/478891925.db2.gz HMIDEHFMJHXRMR-PBHICJAKSA-N 1 0 333.432 2.958 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595630941 478900979 /nfs/dbraw/zinc/90/09/79/478900979.db2.gz DHLYRRCTGQLXDK-NSODJVPESA-N 1 0 344.358 2.529 10 5 EFBERO CC1(C)C[C@H]([N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)CO1 ZINC000595634616 478904794 /nfs/dbraw/zinc/90/47/94/478904794.db2.gz DDHBWLSSROMZMH-INIZCTEOSA-N 1 0 344.415 2.861 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000595658701 478920635 /nfs/dbraw/zinc/92/06/35/478920635.db2.gz HQFDLFAQBNVAIQ-INIZCTEOSA-N 1 0 334.416 2.847 10 5 EFBERO C[C@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595681331 478931467 /nfs/dbraw/zinc/93/14/67/478931467.db2.gz KNDLALOJUFLAIE-ZDUSSCGKSA-N 1 0 333.388 2.567 10 5 EFBERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592571275 478944229 /nfs/dbraw/zinc/94/42/29/478944229.db2.gz WTNPGCYKEZOJOB-INIZCTEOSA-N 1 0 344.415 2.574 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571347 478944720 /nfs/dbraw/zinc/94/47/20/478944720.db2.gz XITVQTDQVIGNGO-SWLSCSKDSA-N 1 0 349.456 2.866 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569901 478944888 /nfs/dbraw/zinc/94/48/88/478944888.db2.gz GQUSJWMFGCWRGX-AWEZNQCLSA-N 1 0 337.807 2.582 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595703936 478948542 /nfs/dbraw/zinc/94/85/42/478948542.db2.gz CQWQNBTXYXCQPM-SCLBCKFNSA-N 1 0 339.395 2.876 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281340 478966878 /nfs/dbraw/zinc/96/68/78/478966878.db2.gz MQXWGUAWTWYVQD-BETUJISGSA-N 1 0 344.415 2.608 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742797 478970500 /nfs/dbraw/zinc/97/05/00/478970500.db2.gz HUGKCYHQCZHVJA-IJLUTSLNSA-N 1 0 346.387 2.655 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@](O)(C4CC4)C3)co2)cc1 ZINC000595749343 478973963 /nfs/dbraw/zinc/97/39/63/478973963.db2.gz FHQFADXBWABNLH-SFHVURJKSA-N 1 0 343.383 2.987 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601737955 478977775 /nfs/dbraw/zinc/97/77/75/478977775.db2.gz GTWNJJXTUZERAM-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601737127 478977847 /nfs/dbraw/zinc/97/78/47/478977847.db2.gz DRQMAVYOVGBLPU-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO O=C1[C@@H]([N@@H+]2CCC[C@@H](CCF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595756298 478978873 /nfs/dbraw/zinc/97/88/73/478978873.db2.gz SMROFWORNSVOSY-BBRMVZONSA-N 1 0 335.379 2.772 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768739 478985506 /nfs/dbraw/zinc/98/55/06/478985506.db2.gz GRYMZOWWVPERQX-XJKSGUPXSA-N 1 0 332.379 2.968 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770890 478986781 /nfs/dbraw/zinc/98/67/81/478986781.db2.gz OHDVUUVXUOSMGF-WMLDXEAASA-N 1 0 344.415 2.838 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818363 479015077 /nfs/dbraw/zinc/01/50/77/479015077.db2.gz HRWADFYUUKSOAW-URGYJCLVSA-N 1 0 340.395 2.841 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595819925 479015549 /nfs/dbraw/zinc/01/55/49/479015549.db2.gz RDHMGMNJKJQANI-WLIAPVHPSA-N 1 0 340.395 2.841 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595819927 479015641 /nfs/dbraw/zinc/01/56/41/479015641.db2.gz RDHMGMNJKJQANI-WOICTCIZSA-N 1 0 340.395 2.841 10 5 EFBERO O=C(CC[NH+]1CCC(c2ccon2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595828074 479020276 /nfs/dbraw/zinc/02/02/76/479020276.db2.gz IATKACPZZCUYCT-UHFFFAOYSA-N 1 0 344.371 2.791 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595873626 479044816 /nfs/dbraw/zinc/04/48/16/479044816.db2.gz OEQDLWQEKIBNOW-UHFFFAOYSA-N 1 0 336.436 2.552 10 5 EFBERO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595876135 479046562 /nfs/dbraw/zinc/04/65/62/479046562.db2.gz DPCAPYNDLZDNHR-OAHLLOKOSA-N 1 0 339.395 2.856 10 5 EFBERO CCNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000598856179 479057280 /nfs/dbraw/zinc/05/72/80/479057280.db2.gz VHLFRCOOUCDZQT-CYBMUJFWSA-N 1 0 334.420 2.629 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000595904445 479061561 /nfs/dbraw/zinc/06/15/61/479061561.db2.gz ZGDUGNQIPQLCOS-HNNXBMFYSA-N 1 0 327.384 2.884 10 5 EFBERO [NH3+][C@@H]1CCc2ccccc2N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595903791 479062130 /nfs/dbraw/zinc/06/21/30/479062130.db2.gz GLPIOSKDHYWTGH-OAHLLOKOSA-N 1 0 327.384 2.754 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595908259 479064814 /nfs/dbraw/zinc/06/48/14/479064814.db2.gz HAPIIPOYVQDHHK-HDICACEKSA-N 1 0 332.400 2.866 10 5 EFBERO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000546732247 479066683 /nfs/dbraw/zinc/06/66/83/479066683.db2.gz KFDVRXVNRYLMDB-AWEZNQCLSA-N 1 0 343.431 2.581 10 5 EFBERO COCC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595911858 479067015 /nfs/dbraw/zinc/06/70/15/479067015.db2.gz ZZCPOKUCDBRYTD-UHFFFAOYSA-N 1 0 335.404 2.862 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595934239 479078803 /nfs/dbraw/zinc/07/88/03/479078803.db2.gz LJWICGUTHIRJHZ-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000598914363 479083286 /nfs/dbraw/zinc/08/32/86/479083286.db2.gz BNGPYWDHPZKJDP-ABAIWWIYSA-N 1 0 336.367 2.730 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601967772 479100824 /nfs/dbraw/zinc/10/08/24/479100824.db2.gz BDUJTJHNZLIYDB-CALCHBBNSA-N 1 0 349.456 2.778 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601968679 479101344 /nfs/dbraw/zinc/10/13/44/479101344.db2.gz GIOZYXWJYLRVNO-HDICACEKSA-N 1 0 331.416 2.592 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCCCN(C)C1=O ZINC000601968714 479101469 /nfs/dbraw/zinc/10/14/69/479101469.db2.gz GKXBORCTZPQHLM-INIZCTEOSA-N 1 0 349.431 2.825 10 5 EFBERO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598961554 479102681 /nfs/dbraw/zinc/10/26/81/479102681.db2.gz NZFOBDCJZJCVMV-INIZCTEOSA-N 1 0 346.431 2.801 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601974360 479105033 /nfs/dbraw/zinc/10/50/33/479105033.db2.gz JSSRYPOZDPJLLM-LLVKDONJSA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000601976492 479105420 /nfs/dbraw/zinc/10/54/20/479105420.db2.gz QYZFUONSTMCPNB-CQSZACIVSA-N 1 0 346.431 2.677 10 5 EFBERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971948 479107453 /nfs/dbraw/zinc/10/74/53/479107453.db2.gz JREVHGJBXUCKJW-GUYCJALGSA-N 1 0 346.431 2.972 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598979127 479112568 /nfs/dbraw/zinc/11/25/68/479112568.db2.gz JVHWSOXEOBSPQR-KRWDZBQOSA-N 1 0 346.431 2.801 10 5 EFBERO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596063758 479117227 /nfs/dbraw/zinc/11/72/27/479117227.db2.gz XMJVOULCIJXMQA-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)s1 ZINC000598990339 479117780 /nfs/dbraw/zinc/11/77/80/479117780.db2.gz LARJXBIYEGQSOO-CVEARBPZSA-N 1 0 348.424 2.953 10 5 EFBERO CCc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000592997451 479119488 /nfs/dbraw/zinc/11/94/88/479119488.db2.gz BJJPAIFFNJELME-KRWDZBQOSA-N 1 0 330.384 2.687 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599001818 479122046 /nfs/dbraw/zinc/12/20/46/479122046.db2.gz WMOCAMRZILVOSY-CQSZACIVSA-N 1 0 348.399 2.983 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599001817 479122191 /nfs/dbraw/zinc/12/21/91/479122191.db2.gz WMOCAMRZILVOSY-AWEZNQCLSA-N 1 0 348.399 2.983 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000599005159 479122747 /nfs/dbraw/zinc/12/27/47/479122747.db2.gz KYINDDVZLXLRIV-ZSBFGKGUSA-N 1 0 348.399 2.672 10 5 EFBERO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599007175 479124281 /nfs/dbraw/zinc/12/42/81/479124281.db2.gz MHIQACKCBMOFJW-VQHVLOKHSA-N 1 0 331.416 2.846 10 5 EFBERO CC[NH+]1CCN([C@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019878 479128877 /nfs/dbraw/zinc/12/88/77/479128877.db2.gz NSUDMXUTBKOJOM-CQSZACIVSA-N 1 0 343.431 2.581 10 5 EFBERO COCC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596090694 479131998 /nfs/dbraw/zinc/13/19/98/479131998.db2.gz SIVFNQBRLKWBOV-UHFFFAOYSA-N 1 0 343.811 2.780 10 5 EFBERO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027641 479132037 /nfs/dbraw/zinc/13/20/37/479132037.db2.gz UWARWIGQPXFPGI-QGZVFWFLSA-N 1 0 336.388 2.508 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000593030030 479133689 /nfs/dbraw/zinc/13/36/89/479133689.db2.gz HVERUNFCONXGAQ-OIISXLGYSA-N 1 0 348.399 2.507 10 5 EFBERO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593041605 479138452 /nfs/dbraw/zinc/13/84/52/479138452.db2.gz YHIAJVXWVPJKDV-GOSISDBHSA-N 1 0 345.374 2.559 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCCOC1 ZINC000599054551 479140862 /nfs/dbraw/zinc/14/08/62/479140862.db2.gz BMXUVVHVAPNYKS-KBPBESRZSA-N 1 0 335.404 2.718 10 5 EFBERO CC(C)c1nncn1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599056686 479141424 /nfs/dbraw/zinc/14/14/24/479141424.db2.gz YVINVYDHPFQRCZ-UHFFFAOYSA-N 1 0 326.360 2.970 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593050237 479143334 /nfs/dbraw/zinc/14/33/34/479143334.db2.gz DJENKDYVCIRCKL-MLGOLLRUSA-N 1 0 337.420 2.619 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596115305 479146398 /nfs/dbraw/zinc/14/63/98/479146398.db2.gz UUWBFDHPZVDRDQ-GFCCVEGCSA-N 1 0 341.795 2.787 10 5 EFBERO NC(=O)[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070361 479147393 /nfs/dbraw/zinc/14/73/93/479147393.db2.gz LSPUILGABAAMPN-ZOBUZTSGSA-N 1 0 325.368 2.538 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599074535 479150419 /nfs/dbraw/zinc/15/04/19/479150419.db2.gz NEQCMHYMXPVPKU-UOSRWGBYSA-N 1 0 335.404 2.713 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599074533 479151050 /nfs/dbraw/zinc/15/10/50/479151050.db2.gz NEQCMHYMXPVPKU-SWAFEPEESA-N 1 0 335.404 2.713 10 5 EFBERO Cn1ccnc1[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085639 479154648 /nfs/dbraw/zinc/15/46/48/479154648.db2.gz UUJAFDOFQZELDM-USXIJHARSA-N 1 0 342.399 2.575 10 5 EFBERO C[N@@H+]1CCC[C@@]2(CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)C1 ZINC000569689656 479157242 /nfs/dbraw/zinc/15/72/42/479157242.db2.gz RTOSVQGYLJVBBF-GOSISDBHSA-N 1 0 330.432 2.791 10 5 EFBERO CO[C@@H]1C[C@@H](c2nc(C)no2)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870463 479163712 /nfs/dbraw/zinc/16/37/12/479163712.db2.gz WQIPKJGZRAKYIF-UYTOFJLZSA-N 1 0 344.371 2.761 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593092040 479168633 /nfs/dbraw/zinc/16/86/33/479168633.db2.gz MEAOCXYSAZZPDO-CYBMUJFWSA-N 1 0 347.415 2.875 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599127087 479171042 /nfs/dbraw/zinc/17/10/42/479171042.db2.gz NQCLVQVJGAOFSW-CYBMUJFWSA-N 1 0 348.403 2.595 10 5 EFBERO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093882 479171853 /nfs/dbraw/zinc/17/18/53/479171853.db2.gz WCRLMIIDZVSYSH-GFCCVEGCSA-N 1 0 344.371 2.788 10 5 EFBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093899 479172198 /nfs/dbraw/zinc/17/21/98/479172198.db2.gz WIANLUBBWXBKSH-GFCCVEGCSA-N 1 0 334.372 2.605 10 5 EFBERO CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596167396 479175628 /nfs/dbraw/zinc/17/56/28/479175628.db2.gz GNZCWGJLDZNATR-BBRMVZONSA-N 1 0 334.420 2.782 10 5 EFBERO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165701 479191790 /nfs/dbraw/zinc/19/17/90/479191790.db2.gz QRJLJJPGWBOCPR-HNNXBMFYSA-N 1 0 347.415 2.739 10 5 EFBERO C[NH+](C)[C@@H]1CCOc2c(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cccc21 ZINC000596214730 479204735 /nfs/dbraw/zinc/20/47/35/479204735.db2.gz KMOVRNSOCWLKJA-CYBMUJFWSA-N 1 0 330.344 2.824 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596218973 479206558 /nfs/dbraw/zinc/20/65/58/479206558.db2.gz MERSYTCOSJUELW-UHFFFAOYSA-N 1 0 334.401 2.695 10 5 EFBERO COc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c(Cl)cc1[N+](=O)[O-] ZINC000596256193 479226933 /nfs/dbraw/zinc/22/69/33/479226933.db2.gz BNCZUPZOHXOMFV-NSHDSACASA-N 1 0 343.811 2.516 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593188849 479230385 /nfs/dbraw/zinc/23/03/85/479230385.db2.gz CYXYWDNJDXPAAN-JHJVBQTASA-N 1 0 344.415 2.558 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000593203237 479238005 /nfs/dbraw/zinc/23/80/05/479238005.db2.gz IRUCAEBVZHRVSB-ZDUSSCGKSA-N 1 0 339.411 2.932 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593202965 479238327 /nfs/dbraw/zinc/23/83/27/479238327.db2.gz ALKUVLOOHZYCPI-UHFFFAOYSA-N 1 0 346.431 2.713 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593204138 479239216 /nfs/dbraw/zinc/23/92/16/479239216.db2.gz VSVZMINGISCLAA-UHFFFAOYSA-N 1 0 339.461 2.781 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593204926 479239584 /nfs/dbraw/zinc/23/95/84/479239584.db2.gz CTHJSOSBYJNDFF-DLBZAZTESA-N 1 0 333.432 2.792 10 5 EFBERO CC(C)[N@@H+]1CCCC[C@@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000596303811 479246746 /nfs/dbraw/zinc/24/67/46/479246746.db2.gz CZNLWHNFYJQQEO-OAHLLOKOSA-N 1 0 333.432 2.898 10 5 EFBERO COc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000596314443 479250572 /nfs/dbraw/zinc/25/05/72/479250572.db2.gz DXOFWQDEFOWGNM-UHFFFAOYSA-N 1 0 349.431 2.906 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000593238477 479254442 /nfs/dbraw/zinc/25/44/42/479254442.db2.gz IYPJFQWXEULCAB-UHFFFAOYSA-N 1 0 326.372 2.833 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603144071 479273287 /nfs/dbraw/zinc/27/32/87/479273287.db2.gz VQXKEHREMIAGMZ-INIZCTEOSA-N 1 0 333.432 2.716 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000611104202 479284297 /nfs/dbraw/zinc/28/42/97/479284297.db2.gz MNWOMNTUOSUAQP-ZDUSSCGKSA-N 1 0 325.434 2.738 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000596416391 479287033 /nfs/dbraw/zinc/28/70/33/479287033.db2.gz AVHIDSVYUMQSGQ-UHFFFAOYSA-N 1 0 336.436 2.557 10 5 EFBERO CN(CCC[NH+](C)C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596423799 479289367 /nfs/dbraw/zinc/28/93/67/479289367.db2.gz CCFWXAPLXLXONK-UHFFFAOYSA-N 1 0 330.379 2.828 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179354 479303999 /nfs/dbraw/zinc/30/39/99/479303999.db2.gz BMDQIHFGQQYGDG-JTQLQIEISA-N 1 0 343.330 2.519 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179355 479304527 /nfs/dbraw/zinc/30/45/27/479304527.db2.gz BMDQIHFGQQYGDG-SNVBAGLBSA-N 1 0 343.330 2.519 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000585717004 479316016 /nfs/dbraw/zinc/31/60/16/479316016.db2.gz SQMMAJGOJAUPRW-RDJZCZTQSA-N 1 0 333.432 2.843 10 5 EFBERO C[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593421386 479332548 /nfs/dbraw/zinc/33/25/48/479332548.db2.gz UXYKVJVVNDELKV-UHFFFAOYSA-N 1 0 337.395 2.657 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273856 479334662 /nfs/dbraw/zinc/33/46/62/479334662.db2.gz PRMZZFGRDIJYMV-ZFWWWQNUSA-N 1 0 349.431 2.528 10 5 EFBERO CN(C)CC[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454797 479348330 /nfs/dbraw/zinc/34/83/30/479348330.db2.gz LESNWLPGEPUZTP-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO C[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[NH2+]1 ZINC000599602966 479348633 /nfs/dbraw/zinc/34/86/33/479348633.db2.gz BGQXTMOXVOSIBS-WPRPVWTQSA-N 1 0 346.309 2.876 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460012 479350715 /nfs/dbraw/zinc/35/07/15/479350715.db2.gz YXNHTFMDVQFVIS-STQMWFEESA-N 1 0 337.395 2.656 10 5 EFBERO CS[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000593465163 479353415 /nfs/dbraw/zinc/35/34/15/479353415.db2.gz KBSCBUPEUKVVFA-CVEARBPZSA-N 1 0 332.429 2.625 10 5 EFBERO Cc1c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599618531 479355273 /nfs/dbraw/zinc/35/52/73/479355273.db2.gz PRYJNEJJXLRDFB-UHFFFAOYSA-N 1 0 333.432 2.590 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625560 479358087 /nfs/dbraw/zinc/35/80/87/479358087.db2.gz NBWCXADTJOELBZ-KIGUWFBYSA-N 1 0 332.360 2.546 10 5 EFBERO COCC(C)(C)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593477764 479359723 /nfs/dbraw/zinc/35/97/23/479359723.db2.gz FZPIHQAEAIQUDE-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)n1 ZINC000599635177 479361585 /nfs/dbraw/zinc/36/15/85/479361585.db2.gz NTCBEXSKNLVDSD-UHFFFAOYSA-N 1 0 340.305 2.868 10 5 EFBERO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000596624135 479362766 /nfs/dbraw/zinc/36/27/66/479362766.db2.gz FJDZRTAUGCVCRS-ZDUSSCGKSA-N 1 0 336.392 2.551 10 5 EFBERO COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599644492 479366262 /nfs/dbraw/zinc/36/62/62/479366262.db2.gz BFXZBXOGQLSCKH-ZNMIVQPWSA-N 1 0 336.363 2.898 10 5 EFBERO COC(=O)c1ccc(-c2cccc(OCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000596637490 479366855 /nfs/dbraw/zinc/36/68/55/479366855.db2.gz XKJWKHWUQFNUFA-UHFFFAOYSA-N 1 0 344.367 2.989 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599649560 479368439 /nfs/dbraw/zinc/36/84/39/479368439.db2.gz BNPKKYOHNYLFAW-BBWFWOEESA-N 1 0 332.400 2.801 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]2CCC[C@H]21 ZINC000599651436 479370102 /nfs/dbraw/zinc/37/01/02/479370102.db2.gz BKNXLGJUUAAHMC-ARFHVFGLSA-N 1 0 348.399 2.767 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587240146 479370917 /nfs/dbraw/zinc/37/09/17/479370917.db2.gz WOPOKCFMUBFLGW-CYBMUJFWSA-N 1 0 336.436 2.736 10 5 EFBERO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587626451 479372343 /nfs/dbraw/zinc/37/23/43/479372343.db2.gz ULWUHXLDSPZWTF-HNNXBMFYSA-N 1 0 336.436 2.736 10 5 EFBERO O=[N+]([O-])c1ccsc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000611413640 479372369 /nfs/dbraw/zinc/37/23/69/479372369.db2.gz JMDPKEUDXKSMKW-CYBMUJFWSA-N 1 0 325.434 2.738 10 5 EFBERO CC[NH+](CC)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000587520982 479372427 /nfs/dbraw/zinc/37/24/27/479372427.db2.gz ZWMZIOIYRDYLCD-HNNXBMFYSA-N 1 0 348.403 2.757 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599661105 479377155 /nfs/dbraw/zinc/37/71/55/479377155.db2.gz SCWOOSQOUZYVOS-GVDBMIGSSA-N 1 0 348.399 2.637 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCCF)CC1 ZINC000599669496 479380666 /nfs/dbraw/zinc/38/06/66/479380666.db2.gz JOUPDIFRVSPKKM-UHFFFAOYSA-N 1 0 339.411 2.859 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c(F)c1 ZINC000593653121 479413502 /nfs/dbraw/zinc/41/35/02/479413502.db2.gz SYCHRNZDLKACNW-SFHVURJKSA-N 1 0 330.359 2.700 10 5 EFBERO COc1cc(CN2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609638 479428105 /nfs/dbraw/zinc/42/81/05/479428105.db2.gz VZQLNPZBYNHIPI-NSHDSACASA-N 1 0 346.330 2.816 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000611617443 479430644 /nfs/dbraw/zinc/43/06/44/479430644.db2.gz VFHBDQSZHZBCGS-INIZCTEOSA-N 1 0 348.447 2.688 10 5 EFBERO CCc1ccc([C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593718813 479433121 /nfs/dbraw/zinc/43/31/21/479433121.db2.gz PYPWVYUSCSSPAK-AHIWAGSCSA-N 1 0 343.383 2.693 10 5 EFBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730186 479436641 /nfs/dbraw/zinc/43/66/41/479436641.db2.gz LKGAOXNEVNRQQV-CSMYWGQOSA-N 1 0 337.395 2.595 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830654 479443173 /nfs/dbraw/zinc/44/31/73/479443173.db2.gz WFBSMGJOTDPSCL-LBPRGKRZSA-N 1 0 345.403 2.995 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833155 479444382 /nfs/dbraw/zinc/44/43/82/479444382.db2.gz QJPGWIQAHHDZIU-UHFFFAOYSA-N 1 0 331.376 2.558 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596828512 479444992 /nfs/dbraw/zinc/44/49/92/479444992.db2.gz LKMLQNIZOODBLO-UHFFFAOYSA-N 1 0 338.408 2.845 10 5 EFBERO CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000599985380 479486636 /nfs/dbraw/zinc/48/66/36/479486636.db2.gz DIEWZLNLGXJPHU-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO CN(CC[NH+]1CCCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593883390 479497196 /nfs/dbraw/zinc/49/71/96/479497196.db2.gz MNKRGZWUUAOVPQ-UHFFFAOYSA-N 1 0 330.388 2.634 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594044959 479563982 /nfs/dbraw/zinc/56/39/82/479563982.db2.gz RKUOQYQSHPQYAJ-HOCLYGCPSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044155 479564233 /nfs/dbraw/zinc/56/42/33/479564233.db2.gz PPOIYXYIXVZVSO-HOCLYGCPSA-N 1 0 336.388 2.819 10 5 EFBERO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045219 479564770 /nfs/dbraw/zinc/56/47/70/479564770.db2.gz UHVKGLXATKOMHA-HOCLYGCPSA-N 1 0 338.404 2.920 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594045730 479566428 /nfs/dbraw/zinc/56/64/28/479566428.db2.gz YZRONQRCQWLGJB-GOEBONIOSA-N 1 0 335.404 2.779 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594045732 479566617 /nfs/dbraw/zinc/56/66/17/479566617.db2.gz YZRONQRCQWLGJB-ZBFHGGJFSA-N 1 0 335.404 2.779 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594102215 479588523 /nfs/dbraw/zinc/58/85/23/479588523.db2.gz IUODXONKOPOOJO-KLPPZKSPSA-N 1 0 325.796 2.627 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594103060 479589169 /nfs/dbraw/zinc/58/91/69/479589169.db2.gz VDJTWANPLNNJBZ-INMHGKMJSA-N 1 0 333.432 2.620 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590044641 479595277 /nfs/dbraw/zinc/59/52/77/479595277.db2.gz KALJCNQOMFSRFG-CZUORRHYSA-N 1 0 331.416 2.668 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000590052575 479596508 /nfs/dbraw/zinc/59/65/08/479596508.db2.gz DZTNHPSAXPJWKI-YOEHRIQHSA-N 1 0 327.384 2.991 10 5 EFBERO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597186084 479611397 /nfs/dbraw/zinc/61/13/97/479611397.db2.gz BFIUHGSSGNZODE-SFHVURJKSA-N 1 0 346.383 2.828 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590183923 479614525 /nfs/dbraw/zinc/61/45/25/479614525.db2.gz DWIPWEVYHVRPCK-IINYFYTJSA-N 1 0 329.322 2.750 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590445866 479648831 /nfs/dbraw/zinc/64/88/31/479648831.db2.gz TXOBBBMJRXDKIV-SWLSCSKDSA-N 1 0 349.456 2.873 10 5 EFBERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303188 479652340 /nfs/dbraw/zinc/65/23/40/479652340.db2.gz GHFCTHZDBLHTQR-SCLBCKFNSA-N 1 0 349.434 2.846 10 5 EFBERO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590568741 479661582 /nfs/dbraw/zinc/66/15/82/479661582.db2.gz KGYBWSONPBFEAQ-UHFFFAOYSA-N 1 0 329.784 2.789 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c21 ZINC000612438452 479672825 /nfs/dbraw/zinc/67/28/25/479672825.db2.gz MNWXVHLGMQFQBV-UHFFFAOYSA-N 1 0 341.415 2.850 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCCCO)CC1 ZINC000615835201 479766087 /nfs/dbraw/zinc/76/60/87/479766087.db2.gz YOFSSSUIPXFQBC-QINSGFPZSA-N 1 0 334.416 2.862 10 5 EFBERO Cc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[NH+](C)C)cc1 ZINC000619570537 479830732 /nfs/dbraw/zinc/83/07/32/479830732.db2.gz BTKXXFSUSAHEFP-KRWDZBQOSA-N 1 0 344.415 2.693 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610002475 480226715 /nfs/dbraw/zinc/22/67/15/480226715.db2.gz MQTYGCDJWDZRQL-CRAIPNDOSA-N 1 0 333.432 2.843 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000610368696 480291650 /nfs/dbraw/zinc/29/16/50/480291650.db2.gz CUNJIWSMJHWERY-AWEZNQCLSA-N 1 0 346.387 2.516 10 5 EFBERO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610518959 480327578 /nfs/dbraw/zinc/32/75/78/480327578.db2.gz BDKGMTYPUJPCON-INIZCTEOSA-N 1 0 336.413 2.810 10 5 EFBERO C[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000617717666 480333270 /nfs/dbraw/zinc/33/32/70/480333270.db2.gz RUZHPZGQCCIRSW-GFCCVEGCSA-N 1 0 337.339 2.918 10 5 EFBERO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](n4ccnc4)C3)nc2c1 ZINC000610581636 480342271 /nfs/dbraw/zinc/34/22/71/480342271.db2.gz FQFUIZHOPZYXFU-CYBMUJFWSA-N 1 0 327.344 2.770 10 5 EFBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223476 519872228 /nfs/dbraw/zinc/87/22/28/519872228.db2.gz KXWGTODOPYQAAT-GXTWGEPZSA-N 1 0 329.404 2.975 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119103026 520898755 /nfs/dbraw/zinc/89/87/55/520898755.db2.gz DZURBCUNOFRJTL-LSDHHAIUSA-N 1 0 347.415 2.550 10 5 EFBERO COc1cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000077455737 522459734 /nfs/dbraw/zinc/45/97/34/522459734.db2.gz LGJPBSQAEJPGBR-KRWDZBQOSA-N 1 0 340.420 2.889 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611242 522532897 /nfs/dbraw/zinc/53/28/97/522532897.db2.gz YJWCUCKBQBMVFL-GXTWGEPZSA-N 1 0 329.404 2.723 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632142 522535235 /nfs/dbraw/zinc/53/52/35/522535235.db2.gz ZLUYHHAVXHTTQL-UKRRQHHQSA-N 1 0 329.404 2.804 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000156104878 522979621 /nfs/dbraw/zinc/97/96/21/522979621.db2.gz VZBYORIEMIIKJT-LBPRGKRZSA-N 1 0 336.392 2.599 10 5 EFBERO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237201450 523800629 /nfs/dbraw/zinc/80/06/29/523800629.db2.gz BTFDHIVMBPERTC-FKEKPDDDSA-N 1 0 346.431 2.528 10 5 EFBERO CCc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261787956 523882582 /nfs/dbraw/zinc/88/25/82/523882582.db2.gz TZRTUCXUYAXFRQ-UHFFFAOYSA-N 1 0 341.411 2.801 10 5 EFBERO COc1ccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000157889946 523915656 /nfs/dbraw/zinc/91/56/56/523915656.db2.gz QNRDTDLEKRIQDC-UHFFFAOYSA-N 1 0 344.415 2.755 10 5 EFBERO CN1CCO[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180844415 523951150 /nfs/dbraw/zinc/95/11/50/523951150.db2.gz RGDPGBRIXPUTAX-MOPGFXCFSA-N 1 0 341.411 2.604 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192709721 525299412 /nfs/dbraw/zinc/29/94/12/525299412.db2.gz IURQWFPNFASFBS-ZDUSSCGKSA-N 1 0 327.388 2.704 10 5 EFBERO Cc1c(Br)c(N[C@@H](C[NH3+])CC(C)C)ncc1[N+](=O)[O-] ZINC000165822931 525523325 /nfs/dbraw/zinc/52/33/25/525523325.db2.gz CSGUNNTYYVMRLS-SECBINFHSA-N 1 0 331.214 2.846 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000183327097 525563209 /nfs/dbraw/zinc/56/32/09/525563209.db2.gz JWQQFLUHZQHGRI-GOSISDBHSA-N 1 0 333.432 2.590 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000183327132 525563396 /nfs/dbraw/zinc/56/33/96/525563396.db2.gz JWQQFLUHZQHGRI-SFHVURJKSA-N 1 0 333.432 2.590 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000178051809 525733127 /nfs/dbraw/zinc/73/31/27/525733127.db2.gz SDSIJPBPVVBEGU-CYBMUJFWSA-N 1 0 338.371 2.730 10 5 EFBERO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000178052502 525919312 /nfs/dbraw/zinc/91/93/12/525919312.db2.gz PPBRLGVGDHPXJN-ZDUSSCGKSA-N 1 0 338.371 2.730 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000067211379 526073251 /nfs/dbraw/zinc/07/32/51/526073251.db2.gz HOVOQVODMVRBPP-INIZCTEOSA-N 1 0 341.411 2.806 10 5 EFBERO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245619144 526524767 /nfs/dbraw/zinc/52/47/67/526524767.db2.gz WFBOAUCKXGNQFW-HZPDHXFCSA-N 1 0 330.388 2.805 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195222218 527261707 /nfs/dbraw/zinc/26/17/07/527261707.db2.gz KOJYBUADRJTCKA-GFCCVEGCSA-N 1 0 338.795 2.950 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193694246 527349078 /nfs/dbraw/zinc/34/90/78/527349078.db2.gz OTDKQYORGBPMQJ-UHFFFAOYSA-N 1 0 348.403 2.811 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507152 527370660 /nfs/dbraw/zinc/37/06/60/527370660.db2.gz PRYPTZSCAPOMDB-UHFFFAOYSA-N 1 0 330.388 2.966 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127807024 527372235 /nfs/dbraw/zinc/37/22/35/527372235.db2.gz OKTQLJFPSBTLRE-SJORKVTESA-N 1 0 330.388 2.944 10 5 EFBERO Cc1cnc(CC[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)s1 ZINC000754796274 575492564 /nfs/dbraw/zinc/49/25/64/575492564.db2.gz YMGNNHSCRMMAQO-UHFFFAOYSA-N 1 0 346.416 2.545 10 5 EFBERO Cc1ccnc(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000755216284 575561382 /nfs/dbraw/zinc/56/13/82/575561382.db2.gz VVCUBJLQIUGRAK-QGZVFWFLSA-N 1 0 342.399 2.606 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000755298003 575571562 /nfs/dbraw/zinc/57/15/62/575571562.db2.gz WFYQNQWECGJMHE-IVOILVROSA-N 1 0 329.400 2.599 10 5 EFBERO CCCCCC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000759391480 575890727 /nfs/dbraw/zinc/89/07/27/575890727.db2.gz YIXKJOJXAOCLAO-HOCLYGCPSA-N 1 0 336.436 2.807 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291817 576141050 /nfs/dbraw/zinc/14/10/50/576141050.db2.gz KBUAOJGIWCPLOO-HUUCEWRRSA-N 1 0 344.415 2.959 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294598 576141383 /nfs/dbraw/zinc/14/13/83/576141383.db2.gz YFVNJAZXWGRXRH-BBRMVZONSA-N 1 0 330.388 2.711 10 5 EFBERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000764466768 576461140 /nfs/dbraw/zinc/46/11/40/576461140.db2.gz QTAZDZDUAPMSCM-RISCZKNCSA-N 1 0 337.807 2.739 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000765006841 576535596 /nfs/dbraw/zinc/53/55/96/576535596.db2.gz YYXAGZCMNZMRML-CRAIPNDOSA-N 1 0 327.384 2.588 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849334 577082670 /nfs/dbraw/zinc/08/26/70/577082670.db2.gz OLOQXTWRQXYZNK-WBMJQRKESA-N 1 0 344.367 2.750 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579682 581494539 /nfs/dbraw/zinc/49/45/39/581494539.db2.gz HKYPCINFYQQZEA-STQMWFEESA-N 1 0 336.461 2.604 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000774661341 581496836 /nfs/dbraw/zinc/49/68/36/581496836.db2.gz YHYVEAHDOFXFQG-AWEZNQCLSA-N 1 0 345.403 2.526 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCC(C)(F)F ZINC001691366317 1248701053 /nfs/dbraw/zinc/70/10/53/1248701053.db2.gz ISQXNTSHBSBVKL-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691425334 1248801125 /nfs/dbraw/zinc/80/11/25/1248801125.db2.gz ODMDCSVWWYOJHL-TXEJJXNPSA-N 1 0 345.321 2.532 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850494256 1250507627 /nfs/dbraw/zinc/50/76/27/1250507627.db2.gz ZVKYCZNCJYALSO-MLMJSJRWSA-N 1 0 338.351 2.865 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC001687333884 1248260385 /nfs/dbraw/zinc/26/03/85/1248260385.db2.gz NNENIKSJKDYKMW-ZIAGYGMSSA-N 1 0 334.420 2.527 10 5 EFBERO O=C(CCC1CC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691087193 1248387303 /nfs/dbraw/zinc/38/73/03/1248387303.db2.gz JSBYXHTXYZUVEY-IYBDPMFKSA-N 1 0 331.416 2.769 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC=CC1 ZINC001691164469 1248495574 /nfs/dbraw/zinc/49/55/74/1248495574.db2.gz VTPBWEYRQQTNRN-KOMQPUFPSA-N 1 0 343.427 2.936 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490544 1250502471 /nfs/dbraw/zinc/50/24/71/1250502471.db2.gz CVSAAGRVHPXVAJ-ZQJOYCHOSA-N 1 0 338.351 2.865 10 5 EFBERO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850485707 1250502968 /nfs/dbraw/zinc/50/29/68/1250502968.db2.gz MVDRTRJEPZSZEW-MRVPVSSYSA-N 1 0 341.293 2.837 10 5 EFBERO CC1(C)OCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850569775 1250542462 /nfs/dbraw/zinc/54/24/62/1250542462.db2.gz AOJQEQXHLZADEO-AWEZNQCLSA-N 1 0 333.432 2.968 10 5 EFBERO C[C@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000922557331 1266253318 /nfs/dbraw/zinc/25/33/18/1266253318.db2.gz OEHUDWNIUGSRKS-NHYWBVRUSA-N 1 0 332.429 2.901 10 5 EFBERO [NH3+]CC[C@@H]1Cc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923546528 1261884188 /nfs/dbraw/zinc/88/41/88/1261884188.db2.gz VRGAYJPANLHVCS-AUUYWEPGSA-N 1 0 341.411 2.656 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000922170901 1264743990 /nfs/dbraw/zinc/74/39/90/1264743990.db2.gz WVXLJIZWAAPKFX-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO CCOc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000823366335 1265316641 /nfs/dbraw/zinc/31/66/41/1265316641.db2.gz HMIYBPCQLKBHDC-NEPJUHHUSA-N 1 0 336.392 2.550 10 5 EFBERO CCOc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000823366338 1265317148 /nfs/dbraw/zinc/31/71/48/1265317148.db2.gz HMIYBPCQLKBHDC-VXGBXAGGSA-N 1 0 336.392 2.550 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739905 1266691736 /nfs/dbraw/zinc/69/17/36/1266691736.db2.gz WYMCGSPKBQFPQO-JYRVWZFOSA-N 1 0 340.445 2.659 10 5 EFBERO O=C(Cc1ccoc1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001273069773 1267211719 /nfs/dbraw/zinc/21/17/19/1267211719.db2.gz YYNZBTRXVUDRAF-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO C[NH+](C)CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491905 1267340909 /nfs/dbraw/zinc/34/09/09/1267340909.db2.gz CZOWBKQLMWNJJE-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000828006062 1267561754 /nfs/dbraw/zinc/56/17/54/1267561754.db2.gz XYTLSFHFTYCTMG-HZPDHXFCSA-N 1 0 331.416 2.516 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000742412364 1270040061 /nfs/dbraw/zinc/04/00/61/1270040061.db2.gz PUNJFXNVONRXBM-DOFRETIQSA-N 1 0 333.388 2.676 10 5 EFBERO C[C@H](CO)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCC1 ZINC001169703871 1273107931 /nfs/dbraw/zinc/10/79/31/1273107931.db2.gz DBJRIMMORSUDDJ-GFCCVEGCSA-N 1 0 346.387 2.628 10 5 EFBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000804355530 1273542312 /nfs/dbraw/zinc/54/23/12/1273542312.db2.gz ZQRKWHXPXBGAFZ-UHFFFAOYSA-N 1 0 334.376 2.815 10 5 EFBERO O=C1O[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338541 1278895792 /nfs/dbraw/zinc/89/57/92/1278895792.db2.gz QLUVDNPREBYHNY-YOEHRIQHSA-N 1 0 345.399 2.757 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000844382742 1278958675 /nfs/dbraw/zinc/95/86/75/1278958675.db2.gz IAZIKUUHEMNRIV-LBPRGKRZSA-N 1 0 348.296 2.995 10 5 EFBERO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669938 1276265772 /nfs/dbraw/zinc/26/57/72/1276265772.db2.gz GSSKMFULUQWRSY-NSHDSACASA-N 1 0 327.388 2.738 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000788816730 1276336212 /nfs/dbraw/zinc/33/62/12/1276336212.db2.gz RGVXQDXCZRGTFG-SFHVURJKSA-N 1 0 333.432 2.658 10 5 EFBERO C/C(=C\C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000818178949 1276479329 /nfs/dbraw/zinc/47/93/29/1276479329.db2.gz VSMWYYPOLAQPSI-LBKOFNPBSA-N 1 0 343.427 2.942 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000818967957 1276572071 /nfs/dbraw/zinc/57/20/71/1276572071.db2.gz GVNHLNRNLARLOM-INIZCTEOSA-N 1 0 334.347 2.874 10 5 EFBERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013429 1276588275 /nfs/dbraw/zinc/58/82/75/1276588275.db2.gz BKQJHTNBAWLQFM-DLBZAZTESA-N 1 0 328.368 2.968 10 5 EFBERO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013432 1276588836 /nfs/dbraw/zinc/58/88/36/1276588836.db2.gz BKQJHTNBAWLQFM-SJORKVTESA-N 1 0 328.368 2.968 10 5 EFBERO CCOc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819025364 1276594040 /nfs/dbraw/zinc/59/40/40/1276594040.db2.gz OKZPNTZFRJEKGF-INIZCTEOSA-N 1 0 334.347 2.956 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001493621294 1276705530 /nfs/dbraw/zinc/70/55/30/1276705530.db2.gz ZUXXGZFZBGTAIT-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000789923108 1277072585 /nfs/dbraw/zinc/07/25/85/1277072585.db2.gz FXWVMCXNDUQPTG-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO C[NH+](C)C[C@H]1CCN(c2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC000585093015 1277186868 /nfs/dbraw/zinc/18/68/68/1277186868.db2.gz YHURDJYGBKJXRU-SECBINFHSA-N 1 0 346.200 2.884 10 5 EFBERO Cc1c(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000871786143 1287288068 /nfs/dbraw/zinc/28/80/68/1287288068.db2.gz RURJDAKFQBKLSB-GOOCMWNKSA-N 1 0 332.404 2.774 10 5 EFBERO C/C(=C\C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642731 1279163514 /nfs/dbraw/zinc/16/35/14/1279163514.db2.gz KNLSWDBDEPQKED-DDQKFYEASA-N 1 0 331.416 2.938 10 5 EFBERO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)c1 ZINC000844915552 1279335526 /nfs/dbraw/zinc/33/55/26/1279335526.db2.gz GGKAUFOIPAXXBC-UONOGXRCSA-N 1 0 344.371 2.780 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1F ZINC000793281318 1279528826 /nfs/dbraw/zinc/52/88/26/1279528826.db2.gz NUBAQYGBRZYJQM-LLVKDONJSA-N 1 0 332.335 2.636 10 5 EFBERO CC(C)C[N@@H+]1CCO[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017818 1287400744 /nfs/dbraw/zinc/40/07/44/1287400744.db2.gz FHYSWOTYYNFRBZ-ZIAGYGMSSA-N 1 0 339.411 2.741 10 5 EFBERO C/C(=C/C(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000846614150 1280320792 /nfs/dbraw/zinc/32/07/92/1280320792.db2.gz JTDGGMUUPMWCRK-PFONDFGASA-N 1 0 331.416 2.942 10 5 EFBERO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081666 1287422011 /nfs/dbraw/zinc/42/20/11/1287422011.db2.gz IYPYWHUSCIJGRB-ZBEGNZNMSA-N 1 0 326.368 2.562 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872086003 1287424266 /nfs/dbraw/zinc/42/42/66/1287424266.db2.gz SUMULKAKMHQNDC-QVHKTLOISA-N 1 0 340.395 2.951 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000872089064 1287425449 /nfs/dbraw/zinc/42/54/49/1287425449.db2.gz YUODWOPBZOBNAI-GDLCADMTSA-N 1 0 326.418 2.507 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CN(c2ccncn2)C1 ZINC000872092005 1287426415 /nfs/dbraw/zinc/42/64/15/1287426415.db2.gz LYOCBMKJUJGDOB-NSHDSACASA-N 1 0 345.428 2.646 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872110528 1287432807 /nfs/dbraw/zinc/43/28/07/1287432807.db2.gz YZTKJEWKYJGBAN-UTJXIGIESA-N 1 0 347.415 2.859 10 5 EFBERO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000872121631 1287435676 /nfs/dbraw/zinc/43/56/76/1287435676.db2.gz OFRGZPFMFLIQHN-OKSWLAIDSA-N 1 0 338.429 2.601 10 5 EFBERO CCN1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000846957475 1280659203 /nfs/dbraw/zinc/65/92/03/1280659203.db2.gz LIUZGKAEUGTHTH-GDBMZVCRSA-N 1 0 333.388 2.615 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000846989780 1280676019 /nfs/dbraw/zinc/67/60/19/1280676019.db2.gz USAIIKVCWPXZFW-OBEJXRGXSA-N 1 0 331.416 2.941 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872151702 1287448187 /nfs/dbraw/zinc/44/81/87/1287448187.db2.gz LLKBYMSXFQOTHM-MWLCHTKSSA-N 1 0 337.729 2.817 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872151704 1287448533 /nfs/dbraw/zinc/44/85/33/1287448533.db2.gz LLKBYMSXFQOTHM-ONGXEEELSA-N 1 0 337.729 2.817 10 5 EFBERO Cc1cc(Cc2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000872174885 1287462058 /nfs/dbraw/zinc/46/20/58/1287462058.db2.gz GWIZKMGEFLMOKD-VGVVRCBHSA-N 1 0 328.372 2.890 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC001137931384 1280980329 /nfs/dbraw/zinc/98/03/29/1280980329.db2.gz PBWHLCOIMJWNJL-VXGBXAGGSA-N 1 0 339.823 2.732 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC000872219877 1287483727 /nfs/dbraw/zinc/48/37/27/1287483727.db2.gz AQFQODOPTZIXIO-ILXVDBEPSA-N 1 0 334.416 2.893 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1 ZINC000872224090 1287485860 /nfs/dbraw/zinc/48/58/60/1287485860.db2.gz UUOXQOLSVGWMLZ-DLBZAZTESA-N 1 0 334.416 2.957 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231773 1287488243 /nfs/dbraw/zinc/48/82/43/1287488243.db2.gz RMMHHUJMGOLEHQ-AWEZNQCLSA-N 1 0 334.347 2.572 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231486 1287489182 /nfs/dbraw/zinc/48/91/82/1287489182.db2.gz LHAWHSJJALLGFJ-INIZCTEOSA-N 1 0 348.374 2.710 10 5 EFBERO C[NH+](C)C1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000808013048 1281499801 /nfs/dbraw/zinc/49/98/01/1281499801.db2.gz XUIJXPIBSAUJML-UHFFFAOYSA-N 1 0 341.415 2.686 10 5 EFBERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558773 1287595058 /nfs/dbraw/zinc/59/50/58/1287595058.db2.gz NMYBYPAJQQGXAD-LBPRGKRZSA-N 1 0 338.371 2.609 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105863 1287710059 /nfs/dbraw/zinc/71/00/59/1287710059.db2.gz PVQAJNUVESREIF-CQSZACIVSA-N 1 0 333.432 2.889 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747828707 1285553274 /nfs/dbraw/zinc/55/32/74/1285553274.db2.gz HPGFWKCZLQXIGS-LSDHHAIUSA-N 1 0 330.388 2.651 10 5 EFBERO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)nc1 ZINC000822863791 1289142068 /nfs/dbraw/zinc/14/20/68/1289142068.db2.gz UQMZSVHRLFPGCB-SWHYSGLUSA-N 1 0 329.360 2.557 10 5 EFBERO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)nc1 ZINC000822863789 1289142310 /nfs/dbraw/zinc/14/23/10/1289142310.db2.gz UQMZSVHRLFPGCB-GDLCADMTSA-N 1 0 329.360 2.557 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001176525135 1288018298 /nfs/dbraw/zinc/01/82/98/1288018298.db2.gz WEBMJWBXLUHFNH-CQSZACIVSA-N 1 0 328.372 2.643 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3ncccn3)C2)cc1 ZINC001176525134 1288018846 /nfs/dbraw/zinc/01/88/46/1288018846.db2.gz WEBMJWBXLUHFNH-AWEZNQCLSA-N 1 0 328.372 2.643 10 5 EFBERO C[C@H](Cc1cccnc1)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001176864817 1288153734 /nfs/dbraw/zinc/15/37/34/1288153734.db2.gz OVHIQPYYSZQJOZ-GFCCVEGCSA-N 1 0 339.355 2.761 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176887186 1288162449 /nfs/dbraw/zinc/16/24/49/1288162449.db2.gz PGFOPJIELKVBKW-FHWLQOOXSA-N 1 0 347.459 2.823 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952713 1288336742 /nfs/dbraw/zinc/33/67/42/1288336742.db2.gz QKJOPOTYGPERTI-QPUJVOFHSA-N 1 0 344.198 2.678 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001136756654 1289398815 /nfs/dbraw/zinc/39/88/15/1289398815.db2.gz NOXFVCVUEVDRGE-ZDUSSCGKSA-N 1 0 339.823 2.781 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823993972 1289510060 /nfs/dbraw/zinc/51/00/60/1289510060.db2.gz MKLAAERPTUJVOE-TXEJJXNPSA-N 1 0 335.408 2.561 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001181841018 1289971927 /nfs/dbraw/zinc/97/19/27/1289971927.db2.gz VDRGZFLQXZGZJB-INIZCTEOSA-N 1 0 331.416 2.569 10 5 EFBERO C[NH+](C)C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000803635664 1312912724 /nfs/dbraw/zinc/91/27/24/1312912724.db2.gz OWZXKOKCYLZRPT-UHFFFAOYSA-N 1 0 342.193 2.780 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000880507833 1292522667 /nfs/dbraw/zinc/52/26/67/1292522667.db2.gz PEMFNGXGRMXCBH-XCRHUMRWSA-N 1 0 347.415 2.922 10 5 EFBERO CC(=O)c1c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000881995694 1293072289 /nfs/dbraw/zinc/07/22/89/1293072289.db2.gz SXRYZPYJGFTSFE-AWEZNQCLSA-N 1 0 347.415 2.710 10 5 EFBERO CC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000882820992 1293337480 /nfs/dbraw/zinc/33/74/80/1293337480.db2.gz HJKAKQWSAORRNL-ZDUSSCGKSA-N 1 0 340.383 2.908 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882819915 1293337967 /nfs/dbraw/zinc/33/79/67/1293337967.db2.gz XSKFLDZCLOUCKE-CYBMUJFWSA-N 1 0 340.383 2.908 10 5 EFBERO CCOC(=O)C[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001193688090 1293410591 /nfs/dbraw/zinc/41/05/91/1293410591.db2.gz XSBKSOWSFUUUIM-KRWDZBQOSA-N 1 0 338.404 2.931 10 5 EFBERO CC(C)OC(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001195605638 1293982402 /nfs/dbraw/zinc/98/24/02/1293982402.db2.gz RUOCXHVUNKJOFI-INIZCTEOSA-N 1 0 338.404 2.930 10 5 EFBERO CC(=O)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001196906690 1294409966 /nfs/dbraw/zinc/40/99/66/1294409966.db2.gz DKYISXMLUYAOGJ-GOSISDBHSA-N 1 0 344.367 2.517 10 5 EFBERO O=C(C[NH2+][C@H]1CCc2c1cccc2F)Nc1ccccc1[N+](=O)[O-] ZINC001197872461 1294757495 /nfs/dbraw/zinc/75/74/95/1294757495.db2.gz PDNIXLQOQYRKOE-AWEZNQCLSA-N 1 0 329.331 2.950 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886238589 1294782286 /nfs/dbraw/zinc/78/22/86/1294782286.db2.gz CYNOBNKFZRRMKU-KRWDZBQOSA-N 1 0 348.374 2.826 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334232 1294867663 /nfs/dbraw/zinc/86/76/63/1294867663.db2.gz SMAVHQASOBOTFU-NKRGKTPBSA-N 1 0 332.400 2.924 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000775817180 1294873161 /nfs/dbraw/zinc/87/31/61/1294873161.db2.gz DJLWFNPPMVSUIN-UHFFFAOYSA-N 1 0 348.447 2.609 10 5 EFBERO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000886615712 1295063092 /nfs/dbraw/zinc/06/30/92/1295063092.db2.gz LZLNDXPJMWDGLU-FZMZJTMJSA-N 1 0 344.371 2.764 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001198612298 1295147505 /nfs/dbraw/zinc/14/75/05/1295147505.db2.gz NDSJLMJFIAANLV-KBPBESRZSA-N 1 0 329.404 2.972 10 5 EFBERO O=C(Cc1cccs1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001273804697 1295920308 /nfs/dbraw/zinc/92/03/08/1295920308.db2.gz IYBXXYHPYPQGNY-ARJAWSKDSA-N 1 0 345.424 2.661 10 5 EFBERO COc1ccc(COC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000803856211 1313259124 /nfs/dbraw/zinc/25/91/24/1313259124.db2.gz MVAJZZUNXMWWOX-CQSZACIVSA-N 1 0 336.388 2.911 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000803857500 1313261064 /nfs/dbraw/zinc/26/10/64/1313261064.db2.gz XFLHSRYTNSYZTF-CQSZACIVSA-N 1 0 334.372 2.585 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC001276077184 1296592377 /nfs/dbraw/zinc/59/23/77/1296592377.db2.gz WBDJFWBKGHYSNO-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO Cc1ccc([C@H](C)OC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000903848970 1313293615 /nfs/dbraw/zinc/29/36/15/1313293615.db2.gz VMVGLPJYVSKSAO-ZDUSSCGKSA-N 1 0 336.388 2.618 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927110078 1296992385 /nfs/dbraw/zinc/99/23/85/1296992385.db2.gz PUIREGQUYUTSLB-MAUKXSAKSA-N 1 0 347.459 2.759 10 5 EFBERO CC[NH+]1CCC(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929460376 1297180849 /nfs/dbraw/zinc/18/08/49/1297180849.db2.gz ZGZBLJNCZIXDCX-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@]2(C)C1 ZINC000930160681 1297241358 /nfs/dbraw/zinc/24/13/58/1297241358.db2.gz VHWGUIDIGBZTBV-BMIGLBTASA-N 1 0 338.795 2.664 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903983295 1313535181 /nfs/dbraw/zinc/53/51/81/1313535181.db2.gz FEJKQOAOJHYLSC-KOLCDFICSA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903983297 1313535475 /nfs/dbraw/zinc/53/54/75/1313535475.db2.gz FEJKQOAOJHYLSC-ONGXEEELSA-N 1 0 337.729 2.960 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851951623 1299482333 /nfs/dbraw/zinc/48/23/33/1299482333.db2.gz ZFPRNDZYJAZGHU-WCQYABFASA-N 1 0 339.367 2.690 10 5 EFBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585843 1299652997 /nfs/dbraw/zinc/65/29/97/1299652997.db2.gz ANCNKVZUMVKQRG-FZKQIMNGSA-N 1 0 330.384 2.897 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351705 1299673191 /nfs/dbraw/zinc/67/31/91/1299673191.db2.gz SKVUJEKLYXOLTR-NILFDRSVSA-N 1 0 342.823 2.904 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591843 1299688931 /nfs/dbraw/zinc/68/89/31/1299688931.db2.gz IGELSDSYXPVQKV-RPVQJOFSSA-N 1 0 336.432 2.795 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000852760542 1299871859 /nfs/dbraw/zinc/87/18/59/1299871859.db2.gz HZJPNBAPUJVROB-HNNXBMFYSA-N 1 0 341.839 2.791 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000852760543 1299872093 /nfs/dbraw/zinc/87/20/93/1299872093.db2.gz HZJPNBAPUJVROB-OAHLLOKOSA-N 1 0 341.839 2.791 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852897498 1299931139 /nfs/dbraw/zinc/93/11/39/1299931139.db2.gz CGOSYMGIBKRGIZ-AFCDSYGPSA-N 1 0 343.427 2.846 10 5 EFBERO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242738 1300063707 /nfs/dbraw/zinc/06/37/07/1300063707.db2.gz WLAVYEXGVRYAPL-WDEREUQCSA-N 1 0 341.795 2.532 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](CCC1CC1)CC1CC1 ZINC000853606484 1300191392 /nfs/dbraw/zinc/19/13/92/1300191392.db2.gz MLASVBFKNYSWBV-UHFFFAOYSA-N 1 0 331.372 2.972 10 5 EFBERO C[N@H+](C[C@H]1CC1(C)C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853627860 1300199778 /nfs/dbraw/zinc/19/97/78/1300199778.db2.gz IBAJISBOHILWIS-GDBMZVCRSA-N 1 0 331.416 2.846 10 5 EFBERO COc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853688375 1300231023 /nfs/dbraw/zinc/23/10/23/1300231023.db2.gz NMUFZCXHEVUFGJ-UHFFFAOYSA-N 1 0 349.431 2.603 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000853990647 1300378319 /nfs/dbraw/zinc/37/83/19/1300378319.db2.gz RHYFXCHUIVQHHE-ZDUSSCGKSA-N 1 0 327.812 2.795 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000853990178 1300378480 /nfs/dbraw/zinc/37/84/80/1300378480.db2.gz JTJHSDZXWJJORK-NSHDSACASA-N 1 0 345.802 2.934 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000854498113 1300592576 /nfs/dbraw/zinc/59/25/76/1300592576.db2.gz KVBRFGUJBXFEBJ-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854735835 1300682626 /nfs/dbraw/zinc/68/26/26/1300682626.db2.gz YBPRCHNHWKQFIA-QZEGLACASA-N 1 0 343.427 2.942 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286362 1300888550 /nfs/dbraw/zinc/88/85/50/1300888550.db2.gz PQCUGHOYIDNTJR-HFBDAHEESA-N 1 0 331.416 2.987 10 5 EFBERO CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489598 1300978560 /nfs/dbraw/zinc/97/85/60/1300978560.db2.gz AVMQIAMYJQAZPT-BHEFUSTPSA-N 1 0 331.416 2.941 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859884188 1301618035 /nfs/dbraw/zinc/61/80/35/1301618035.db2.gz HSZQXZDEUUUHLM-RRMDADRESA-N 1 0 328.821 2.734 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000861036172 1301993557 /nfs/dbraw/zinc/99/35/57/1301993557.db2.gz WIQVWDZERNEKJG-VSOYFRJCSA-N 1 0 348.399 2.652 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@@H]2C1 ZINC000861807856 1302210561 /nfs/dbraw/zinc/21/05/61/1302210561.db2.gz GLRHYCHWXMGMRB-CXAGYDPISA-N 1 0 325.368 2.524 10 5 EFBERO C/C(=C\C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862793581 1302462528 /nfs/dbraw/zinc/46/25/28/1302462528.db2.gz QCLJDNHUPZYXCT-GOFCXVBSSA-N 1 0 331.416 2.846 10 5 EFBERO C[N@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)C1CCCCC1 ZINC000865470735 1303272071 /nfs/dbraw/zinc/27/20/71/1303272071.db2.gz FRMWZFVGIXVNHF-UHFFFAOYSA-N 1 0 325.384 2.903 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865526428 1303295115 /nfs/dbraw/zinc/29/51/15/1303295115.db2.gz REJLFNWDGFKWOV-RYUDHWBXSA-N 1 0 325.384 2.901 10 5 EFBERO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc2c1OCO2 ZINC000865786711 1303399793 /nfs/dbraw/zinc/39/97/93/1303399793.db2.gz SMNDAZXTXQTBQR-UHFFFAOYSA-N 1 0 330.340 2.930 10 5 EFBERO Cc1nn2c(nc(C)c2C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865787866 1303401315 /nfs/dbraw/zinc/40/13/15/1303401315.db2.gz UKEXHRXTTFXVRN-UHFFFAOYSA-N 1 0 331.401 2.914 10 5 EFBERO CC[N@H+](CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)C ZINC000865818808 1303417018 /nfs/dbraw/zinc/41/70/18/1303417018.db2.gz FVZIFVFDSMPPSB-UHFFFAOYSA-N 1 0 333.432 2.863 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000866021103 1303492007 /nfs/dbraw/zinc/49/20/07/1303492007.db2.gz VBDBFOZFHYJLHE-UHFFFAOYSA-N 1 0 334.376 2.958 10 5 EFBERO CCOc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866258547 1303582342 /nfs/dbraw/zinc/58/23/42/1303582342.db2.gz YEOCPPHSPMDRHA-UHFFFAOYSA-N 1 0 349.431 2.542 10 5 EFBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000866259270 1303583907 /nfs/dbraw/zinc/58/39/07/1303583907.db2.gz AEUVNDWFBSNGLF-GUYCJALGSA-N 1 0 332.375 2.858 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866533397 1303676061 /nfs/dbraw/zinc/67/60/61/1303676061.db2.gz IGZDTHQQOALHIF-BBRMVZONSA-N 1 0 332.400 2.757 10 5 EFBERO Cc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000866540348 1303678994 /nfs/dbraw/zinc/67/89/94/1303678994.db2.gz MCFGTKWARFRYOT-CQSZACIVSA-N 1 0 348.424 2.855 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000866540286 1303679169 /nfs/dbraw/zinc/67/91/69/1303679169.db2.gz XRRTVBTVXYGBHM-QAETUUGQSA-N 1 0 348.447 2.927 10 5 EFBERO C[C@]([NH3+])(C(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867982272 1304057162 /nfs/dbraw/zinc/05/71/62/1304057162.db2.gz NWYXVGMGCISCRW-RBSFLKMASA-N 1 0 343.786 2.590 10 5 EFBERO CCC[NH+]1CCC(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000867985991 1304060154 /nfs/dbraw/zinc/06/01/54/1304060154.db2.gz TZOQQVHCRHCZTN-UHFFFAOYSA-N 1 0 334.420 2.577 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000868085143 1304116473 /nfs/dbraw/zinc/11/64/73/1304116473.db2.gz KRLBRJPFQNACEV-UHFFFAOYSA-N 1 0 348.447 2.823 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000868127316 1304140982 /nfs/dbraw/zinc/14/09/82/1304140982.db2.gz AMMRWMQARHIUSC-UHFFFAOYSA-N 1 0 348.447 2.699 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868342061 1304252823 /nfs/dbraw/zinc/25/28/23/1304252823.db2.gz VJXQDJUUKDITBQ-NUEKZKHPSA-N 1 0 346.431 2.700 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000868755520 1304456926 /nfs/dbraw/zinc/45/69/26/1304456926.db2.gz ISGCIHGUODFPHS-HZPDHXFCSA-N 1 0 346.431 2.719 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000868812470 1304487486 /nfs/dbraw/zinc/48/74/86/1304487486.db2.gz FDGJSRLYDIBHNV-MRXNPFEDSA-N 1 0 346.431 2.719 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000869052574 1304591048 /nfs/dbraw/zinc/59/10/48/1304591048.db2.gz BRXDRBMYCMILDD-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO Cc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000869053216 1304591880 /nfs/dbraw/zinc/59/18/80/1304591880.db2.gz JZNJZXPFCZKCMW-UHFFFAOYSA-N 1 0 334.420 2.529 10 5 EFBERO Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000869055746 1304593546 /nfs/dbraw/zinc/59/35/46/1304593546.db2.gz WQLRXUDGQXDKIB-GOEBONIOSA-N 1 0 346.431 2.671 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000870271008 1305234129 /nfs/dbraw/zinc/23/41/29/1305234129.db2.gz DRXHOUUEOFJBMF-UHFFFAOYSA-N 1 0 346.431 2.658 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000870272183 1305235092 /nfs/dbraw/zinc/23/50/92/1305235092.db2.gz DHCJQUNCJNPPNN-UHFFFAOYSA-N 1 0 325.453 2.689 10 5 EFBERO CSc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150231 1305837211 /nfs/dbraw/zinc/83/72/11/1305837211.db2.gz KRCNBYXJAGHTFH-UHFFFAOYSA-N 1 0 337.445 2.873 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC1(C)C ZINC000871151175 1305838391 /nfs/dbraw/zinc/83/83/91/1305838391.db2.gz YJPGADHVLZBSAC-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C/C(=C/C(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000871155789 1305845015 /nfs/dbraw/zinc/84/50/15/1305845015.db2.gz BQBKPPKPLKNRFG-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000748820083 1314137087 /nfs/dbraw/zinc/13/70/87/1314137087.db2.gz BJTPSHFBTBKAAW-LBPRGKRZSA-N 1 0 349.412 2.817 10 5 EFBERO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900663640 1308492228 /nfs/dbraw/zinc/49/22/28/1308492228.db2.gz VYBBCGJCZGOYRN-CYBMUJFWSA-N 1 0 341.770 2.554 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901017056 1309202425 /nfs/dbraw/zinc/20/24/25/1309202425.db2.gz PQKPFYWIUAPALB-DOMZBBRYSA-N 1 0 337.807 2.881 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC000901317383 1310129321 /nfs/dbraw/zinc/12/93/21/1310129321.db2.gz JCIVNMVGQUCPET-HUUCEWRRSA-N 1 0 329.400 2.809 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801544980 1310496593 /nfs/dbraw/zinc/49/65/93/1310496593.db2.gz XIMOEPNAJJUZEM-WCQYABFASA-N 1 0 339.367 2.690 10 5 EFBERO C/C(=C\C(=O)NCC[N@@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752031027 1311142981 /nfs/dbraw/zinc/14/29/81/1311142981.db2.gz UFYKKBQLRYBGNE-BUHFOSPRSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/C(=O)NCC[N@@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752031035 1311142991 /nfs/dbraw/zinc/14/29/91/1311142991.db2.gz UFYKKBQLRYBGNE-YPKPFQOOSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752388331 1311154303 /nfs/dbraw/zinc/15/43/03/1311154303.db2.gz FSORGPCSDDZIOD-GOFCXVBSSA-N 1 0 331.416 2.798 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752387531 1311154438 /nfs/dbraw/zinc/15/44/38/1311154438.db2.gz GSLYKWYLLXTNGB-OBEJXRGXSA-N 1 0 331.416 2.989 10 5 EFBERO O=C(CC1CCCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001276997791 1311436558 /nfs/dbraw/zinc/43/65/58/1311436558.db2.gz SSKKOXWLKKKVON-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO C/C(=C/C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001277006554 1311449969 /nfs/dbraw/zinc/44/99/69/1311449969.db2.gz IWLJTAWAVIOOGR-RAXLEYEMSA-N 1 0 329.400 2.690 10 5 EFBERO COc1cc(COC(=O)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000780089997 1311615193 /nfs/dbraw/zinc/61/51/93/1311615193.db2.gz QSLZTIFOUDNYPR-KRWDZBQOSA-N 1 0 344.367 2.950 10 5 EFBERO C[C@@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001160599543 1311743665 /nfs/dbraw/zinc/74/36/65/1311743665.db2.gz LHLAEGPLSZDPKB-HIFRSBDPSA-N 1 0 340.383 2.694 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC000902806852 1312123473 /nfs/dbraw/zinc/12/34/73/1312123473.db2.gz PKHOVBSIORJASN-HZPDHXFCSA-N 1 0 336.367 2.539 10 5 EFBERO Cc1c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)ccc2c[nH+]cn21 ZINC001163354373 1312295075 /nfs/dbraw/zinc/29/50/75/1312295075.db2.gz GRCWAJUYGREIRL-UHFFFAOYSA-N 1 0 346.293 2.759 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1(C)C ZINC001163571319 1312340187 /nfs/dbraw/zinc/34/01/87/1312340187.db2.gz JYYPHMVLXICDKY-CVEARBPZSA-N 1 0 346.431 2.628 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000903216192 1312470675 /nfs/dbraw/zinc/47/06/75/1312470675.db2.gz WFTUQMZBNHOSRE-STQMWFEESA-N 1 0 335.404 2.513 10 5 EFBERO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000903215752 1312470829 /nfs/dbraw/zinc/47/08/29/1312470829.db2.gz OHVHILCGDVGMCX-HLLBOEOZSA-N 1 0 345.443 2.764 10 5 EFBERO CN(CC(C)(C)C[NH+](C)C)c1ncc(Br)cc1[N+](=O)[O-] ZINC001164302683 1312488173 /nfs/dbraw/zinc/48/81/73/1312488173.db2.gz DRYBENZVZACYCQ-UHFFFAOYSA-N 1 0 345.241 2.776 10 5 EFBERO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287253 1312537988 /nfs/dbraw/zinc/53/79/88/1312537988.db2.gz LZLNDXPJMWDGLU-RISCZKNCSA-N 1 0 344.371 2.764 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(OC)CCSC1 ZINC000903314881 1312563015 /nfs/dbraw/zinc/56/30/15/1312563015.db2.gz CUOJVBFKTBNCGV-ABAIWWIYSA-N 1 0 326.418 2.776 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(OC)CCSC1 ZINC000903314882 1312563104 /nfs/dbraw/zinc/56/31/04/1312563104.db2.gz CUOJVBFKTBNCGV-IAQYHMDHSA-N 1 0 326.418 2.776 10 5 EFBERO Cc1c([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000903349134 1312588893 /nfs/dbraw/zinc/58/88/93/1312588893.db2.gz CRJWWNXUVKQTEX-AWEZNQCLSA-N 1 0 334.416 2.876 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903349941 1312589322 /nfs/dbraw/zinc/58/93/22/1312589322.db2.gz MRKAQTQIHHCPQG-AWEZNQCLSA-N 1 0 334.416 2.876 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903350541 1312590272 /nfs/dbraw/zinc/59/02/72/1312590272.db2.gz WUSWXJPMXZWSEW-HNNXBMFYSA-N 1 0 348.443 2.827 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000903353740 1312592111 /nfs/dbraw/zinc/59/21/11/1312592111.db2.gz NXGHRFUWBZCKCL-AWEZNQCLSA-N 1 0 334.416 2.876 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000903357353 1312595107 /nfs/dbraw/zinc/59/51/07/1312595107.db2.gz LQXKJIGGZMJKQS-CXAGYDPISA-N 1 0 338.404 2.838 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263630502 1316552692 /nfs/dbraw/zinc/55/26/92/1316552692.db2.gz OBLWBMUENYOALY-NDMJEZRESA-N 1 0 338.795 2.710 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264386053 1316610701 /nfs/dbraw/zinc/61/07/01/1316610701.db2.gz VFRBEBVIEWWWCB-TXEJJXNPSA-N 1 0 345.321 2.532 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001264416021 1316614343 /nfs/dbraw/zinc/61/43/43/1316614343.db2.gz LNYIYFVYUFFZTA-GFARXRSRSA-N 1 0 343.427 2.936 10 5 EFBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC001265150264 1316739308 /nfs/dbraw/zinc/73/93/08/1316739308.db2.gz AIIXDWMKWHSSDP-UHFFFAOYSA-N 1 0 343.383 2.972 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccoc1 ZINC001265154059 1316740821 /nfs/dbraw/zinc/74/08/21/1316740821.db2.gz ROPFPZIRMGCEKF-UHFFFAOYSA-N 1 0 343.383 2.972 10 5 EFBERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001265245527 1316764176 /nfs/dbraw/zinc/76/41/76/1316764176.db2.gz NUUOIPPJLWFVMZ-HOTGVXAUSA-N 1 0 349.350 2.918 10 5 EFBERO CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CC1 ZINC001265722682 1316866906 /nfs/dbraw/zinc/86/69/06/1316866906.db2.gz PBNFPSZNXKNESD-QLPKVWCKSA-N 1 0 343.427 2.722 10 5 EFBERO CCn1cccc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001265974321 1316934364 /nfs/dbraw/zinc/93/43/64/1316934364.db2.gz IMYNYZDOEVBQIB-UHFFFAOYSA-N 1 0 344.415 2.668 10 5 EFBERO CC[N@H+](CCCNC(=O)c1c[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266109397 1317049409 /nfs/dbraw/zinc/04/94/09/1317049409.db2.gz VJKDBIGKGKCGOH-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001316612845 1318526731 /nfs/dbraw/zinc/52/67/31/1318526731.db2.gz LNYIYFVYUFFZTA-BQRKTBLUSA-N 1 0 343.427 2.936 10 5 EFBERO CC/C=C(\C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316614428 1318590975 /nfs/dbraw/zinc/59/09/75/1318590975.db2.gz XMFLODDIWBUABB-UPCDRJOISA-N 1 0 337.445 2.997 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001282281007 1318823775 /nfs/dbraw/zinc/82/37/75/1318823775.db2.gz XDQXFVJRPGXPSS-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001282280766 1318824402 /nfs/dbraw/zinc/82/44/02/1318824402.db2.gz RUKCEACQSMYQAY-UHFFFAOYSA-N 1 0 339.411 2.917 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001282295187 1318829435 /nfs/dbraw/zinc/82/94/35/1318829435.db2.gz RIJUFUQZTKQIIN-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001283022892 1319268225 /nfs/dbraw/zinc/26/82/25/1319268225.db2.gz IPKUMKAJFVLGKZ-SJHYZOMNSA-N 1 0 343.427 2.936 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(F)F ZINC001284527811 1320405455 /nfs/dbraw/zinc/40/54/55/1320405455.db2.gz PIHXHQYGKLWGSV-UHFFFAOYSA-N 1 0 343.374 2.919 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001316637590 1320745912 /nfs/dbraw/zinc/74/59/12/1320745912.db2.gz OMLZVEAILVWLIB-AULYBMBSSA-N 1 0 337.445 2.831 10 5 EFBERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001292096636 1322036921 /nfs/dbraw/zinc/03/69/21/1322036921.db2.gz DXDHDDSWOQTLJU-STQMWFEESA-N 1 0 348.447 2.663 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001292258995 1322049093 /nfs/dbraw/zinc/04/90/93/1322049093.db2.gz RBGMDLDSHTXQJB-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO CC(=O)N1CCC(CC[N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001319867504 1329022419 /nfs/dbraw/zinc/02/24/19/1329022419.db2.gz DQDJYGXTPRBNEA-UHFFFAOYSA-N 1 0 325.434 2.737 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@H](F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001294691486 1322543245 /nfs/dbraw/zinc/54/32/45/1322543245.db2.gz WGAUUESBMCMQQB-CQSZACIVSA-N 1 0 335.379 2.520 10 5 EFBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296232818 1322871003 /nfs/dbraw/zinc/87/10/03/1322871003.db2.gz WTRUDDPEZGVQDO-CHWSQXEVSA-N 1 0 346.431 2.560 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001299821861 1323708431 /nfs/dbraw/zinc/70/84/31/1323708431.db2.gz MESACNNASQYALK-KGLIPLIRSA-N 1 0 339.823 2.636 10 5 EFBERO CC(C)c1nocc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001492277339 1324394521 /nfs/dbraw/zinc/39/45/21/1324394521.db2.gz ASVVVZQSXNNZEW-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC001304042547 1324633980 /nfs/dbraw/zinc/63/39/80/1324633980.db2.gz JVKFONOAEVEPQG-AWEZNQCLSA-N 1 0 330.388 2.536 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC001306057591 1324696502 /nfs/dbraw/zinc/69/65/02/1324696502.db2.gz QIHVOMDSOHIPPE-NSHDSACASA-N 1 0 325.796 2.723 10 5 EFBERO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCOCC1 ZINC001306926407 1324733150 /nfs/dbraw/zinc/73/31/50/1324733150.db2.gz YMBLUSQWHMEPHG-INIZCTEOSA-N 1 0 344.415 2.912 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@H+](C)C3CCCC3)c2c1 ZINC001306961792 1324735709 /nfs/dbraw/zinc/73/57/09/1324735709.db2.gz JGLDTLVZCJRFIF-UHFFFAOYSA-N 1 0 344.415 2.860 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCC[C@H]1C ZINC001306983865 1324736510 /nfs/dbraw/zinc/73/65/10/1324736510.db2.gz QLOQHTUQCQPYKC-SNVBAGLBSA-N 1 0 341.795 2.931 10 5 EFBERO CC[N@@H+]1CCN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1C ZINC001307073856 1324740428 /nfs/dbraw/zinc/74/04/28/1324740428.db2.gz XZYWQANDPXMJEM-JTQLQIEISA-N 1 0 328.210 2.888 10 5 EFBERO O=[N+]([O-])c1cnn(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001307290047 1324756333 /nfs/dbraw/zinc/75/63/33/1324756333.db2.gz ZFXASOFXINJSDC-UHFFFAOYSA-N 1 0 349.822 2.657 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC001307989097 1324788861 /nfs/dbraw/zinc/78/88/61/1324788861.db2.gz PHTIHMVAGOJOCX-LBPRGKRZSA-N 1 0 343.387 2.574 10 5 EFBERO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC001308061825 1324792004 /nfs/dbraw/zinc/79/20/04/1324792004.db2.gz MQUIPENQAGNIMV-LBPRGKRZSA-N 1 0 343.383 2.862 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001308108785 1324793792 /nfs/dbraw/zinc/79/37/92/1324793792.db2.gz LTRCDQJJXLPAKT-CZUORRHYSA-N 1 0 349.431 2.761 10 5 EFBERO O=C(CC[NH2+]C1([C@@H]2CCCO2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001308159731 1324797144 /nfs/dbraw/zinc/79/71/44/1324797144.db2.gz GLGGBSCEGKGLRL-HNNXBMFYSA-N 1 0 333.388 2.615 10 5 EFBERO C[C@@H](NC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC001313242313 1325010217 /nfs/dbraw/zinc/01/02/17/1325010217.db2.gz KGHCUGXLSCSZDA-GFCCVEGCSA-N 1 0 339.355 2.803 10 5 EFBERO C[N@H+](CCCNC(=O)/C=C\c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316817861 1325074409 /nfs/dbraw/zinc/07/44/09/1325074409.db2.gz BPVOYLRKHMNNRH-YFHOEESVSA-N 1 0 342.399 2.574 10 5 EFBERO O=C(/C=C/c1ccco1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317072709 1325541579 /nfs/dbraw/zinc/54/15/79/1325541579.db2.gz YSMZBMGNIUGQRO-OTNKMZJBSA-N 1 0 341.367 2.638 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001320957083 1329324501 /nfs/dbraw/zinc/32/45/01/1329324501.db2.gz PYANTZOWBDXNQF-ARJAWSKDSA-N 1 0 343.358 2.810 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317539885 1328123441 /nfs/dbraw/zinc/12/34/41/1328123441.db2.gz HQKQXUXZVNZALI-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CCC[N@H+](CCNC(=O)c1oncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317544738 1328130924 /nfs/dbraw/zinc/13/09/24/1328130924.db2.gz RYHHDRMWVVYGNO-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CC(C)c1nocc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317594718 1328174115 /nfs/dbraw/zinc/17/41/15/1328174115.db2.gz VRXGHXWSOXTFTQ-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC=CC1 ZINC001323531109 1329549587 /nfs/dbraw/zinc/54/95/87/1329549587.db2.gz TUMDCCZPQCFOCS-UHFFFAOYSA-N 1 0 329.400 2.690 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1CC=CC1 ZINC001326802340 1330366429 /nfs/dbraw/zinc/36/64/29/1330366429.db2.gz SASGNWWFZMBNDA-UHFFFAOYSA-N 1 0 329.400 2.690 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(F)F ZINC001327178645 1330437656 /nfs/dbraw/zinc/43/76/56/1330437656.db2.gz WOESZLKFZVIRKR-UHFFFAOYSA-N 1 0 329.347 2.530 10 5 EFBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327865926 1330524200 /nfs/dbraw/zinc/52/42/00/1330524200.db2.gz WOMNSEMKLBSUOY-GOSISDBHSA-N 1 0 337.379 2.714 10 5 EFBERO CC[N@H+](CCC(C)(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328574732 1330603653 /nfs/dbraw/zinc/60/36/53/1330603653.db2.gz PYEPHWUIZXAZKS-HZPDHXFCSA-N 1 0 339.480 2.648 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001331694383 1330867243 /nfs/dbraw/zinc/86/72/43/1330867243.db2.gz KVXPCEIWTXPPSB-OAHLLOKOSA-N 1 0 346.431 2.773 10 5 EFBERO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC001331867103 1330882755 /nfs/dbraw/zinc/88/27/55/1330882755.db2.gz BNTMGWNQYYEIEH-GXTWGEPZSA-N 1 0 327.384 2.961 10 5 EFBERO CNc1c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC001332210358 1330940936 /nfs/dbraw/zinc/94/09/36/1330940936.db2.gz YERBYXZVMNYXRV-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001332210427 1330941696 /nfs/dbraw/zinc/94/16/96/1330941696.db2.gz YRKZAQJFWSKWKP-UHFFFAOYSA-N 1 0 349.406 2.990 10 5 EFBERO CC(=O)c1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001333825911 1331220734 /nfs/dbraw/zinc/22/07/34/1331220734.db2.gz JNCIJNJQJRFWKX-ZNMIVQPWSA-N 1 0 331.416 2.964 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N@@H+]1CCO[C@H](C)C1 ZINC001338203145 1331671874 /nfs/dbraw/zinc/67/18/74/1331671874.db2.gz SRHYAHQSZUZOGY-OKFGHLOFSA-N 1 0 348.399 2.652 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001338379881 1331700863 /nfs/dbraw/zinc/70/08/63/1331700863.db2.gz GKRSSZFYLOLRCL-LLVKDONJSA-N 1 0 338.408 2.617 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001341392953 1332256654 /nfs/dbraw/zinc/25/66/54/1332256654.db2.gz NJSDEHPPNXXSSQ-NWDGAFQWSA-N 1 0 348.325 2.538 10 5 EFBERO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110370 1332600157 /nfs/dbraw/zinc/60/01/57/1332600157.db2.gz PXMFCBATMMNYQJ-DLBZAZTESA-N 1 0 334.347 2.745 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001347718230 1332768565 /nfs/dbraw/zinc/76/85/65/1332768565.db2.gz YFPQUGGHMVZCKF-MGPQQGTHSA-N 1 0 332.404 2.673 10 5 EFBERO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC001348111522 1332801006 /nfs/dbraw/zinc/80/10/06/1332801006.db2.gz ZNNFGECBTOMXDA-LSDHHAIUSA-N 1 0 345.403 2.511 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001348127765 1332802042 /nfs/dbraw/zinc/80/20/42/1332802042.db2.gz RNQADTQCZODIPH-GVAFMPQTSA-N 1 0 349.456 2.532 10 5 EFBERO Cc1cc(F)cc(C(=O)NCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC001348901053 1332882211 /nfs/dbraw/zinc/88/22/11/1332882211.db2.gz SYGAJACOCAQEOV-UHFFFAOYSA-N 1 0 335.379 2.648 10 5 EFBERO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349383018 1332945487 /nfs/dbraw/zinc/94/54/87/1332945487.db2.gz JASNZMQHFZHUJW-ZDUSSCGKSA-N 1 0 349.406 2.752 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000847180126 1333384742 /nfs/dbraw/zinc/38/47/42/1333384742.db2.gz DWULZWNYGSIGRN-AOOOYVTPSA-N 1 0 326.784 2.710 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000847180742 1333386562 /nfs/dbraw/zinc/38/65/62/1333386562.db2.gz UJDLJNIIBRIQKW-WAAGHKOSSA-N 1 0 346.214 2.972 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1Cl ZINC001352465495 1333549930 /nfs/dbraw/zinc/54/99/30/1333549930.db2.gz NRKSSYFDSBPOLH-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO C[C@@H](C1CC1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001354604326 1334404171 /nfs/dbraw/zinc/40/41/71/1334404171.db2.gz PVWOSHLQEHDTSX-LBPRGKRZSA-N 1 0 329.404 2.782 10 5 EFBERO Nc1cc(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc[nH+]1 ZINC001472888998 1334603532 /nfs/dbraw/zinc/60/35/32/1334603532.db2.gz PWSNDYMLGSICTM-UHFFFAOYSA-N 1 0 331.332 2.915 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000848371728 1334698764 /nfs/dbraw/zinc/69/87/64/1334698764.db2.gz ULZYOJPOLKNNFY-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO CC(C)[N@H+](CC1CC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474873 1334734879 /nfs/dbraw/zinc/73/48/79/1334734879.db2.gz KHUPEDZGAZPQIR-KRWDZBQOSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000848476335 1334735525 /nfs/dbraw/zinc/73/55/25/1334735525.db2.gz ABGRVJOSFRDANZ-DLBZAZTESA-N 1 0 329.400 2.743 10 5 EFBERO CC1(C)CC[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476340 1334735646 /nfs/dbraw/zinc/73/56/46/1334735646.db2.gz ABQWNUYHJCLHJJ-INIZCTEOSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@@H]1[C@H](C)SCCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478889 1334737164 /nfs/dbraw/zinc/73/71/64/1334737164.db2.gz OAVHZICNBWJGOT-WWGRRREGSA-N 1 0 349.456 2.694 10 5 EFBERO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481259 1334737872 /nfs/dbraw/zinc/73/78/72/1334737872.db2.gz XLVJTKUVNPDCRU-FRFSOERESA-N 1 0 331.416 2.989 10 5 EFBERO CC[C@]1(C)CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848482994 1334738984 /nfs/dbraw/zinc/73/89/84/1334738984.db2.gz XARIXBHHIQRXFX-FUHWJXTLSA-N 1 0 331.416 2.990 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000848488125 1334744501 /nfs/dbraw/zinc/74/45/01/1334744501.db2.gz BHUAGBLVJBAJTJ-HNNXBMFYSA-N 1 0 330.388 2.915 10 5 EFBERO C[C@@H]1[C@H](C)C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000848489097 1334745937 /nfs/dbraw/zinc/74/59/37/1334745937.db2.gz PZYBNLSACXAENN-VWPFQQQWSA-N 1 0 331.416 2.845 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(C2CC2)CC1 ZINC000848491808 1334748293 /nfs/dbraw/zinc/74/82/93/1334748293.db2.gz ZJHXMOHBLBSFOX-SFHVURJKSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561650 1334795921 /nfs/dbraw/zinc/79/59/21/1334795921.db2.gz ASVDXEQNKYMRFU-RWMBFGLXSA-N 1 0 341.839 2.836 10 5 EFBERO O=C1O[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571657 1334801219 /nfs/dbraw/zinc/80/12/19/1334801219.db2.gz GGDZROASMQVFTP-RDJZCZTQSA-N 1 0 345.399 2.935 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC001358489529 1335380545 /nfs/dbraw/zinc/38/05/45/1335380545.db2.gz SVUAEBZDUJVEKU-UHFFFAOYSA-N 1 0 328.372 2.655 10 5 EFBERO O=C(N[C@@]12CC[N@H+](C1)CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001438615126 1388701686 /nfs/dbraw/zinc/70/16/86/1388701686.db2.gz VMLCMFHYUAEUOE-AWEZNQCLSA-N 1 0 343.305 2.582 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001439286532 1389097512 /nfs/dbraw/zinc/09/75/12/1389097512.db2.gz JDEWHFNPSXTIJR-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001448229479 1392037756 /nfs/dbraw/zinc/03/77/56/1392037756.db2.gz LQFKOERLEYLXDS-KRWDZBQOSA-N 1 0 333.432 2.716 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001454885890 1394350018 /nfs/dbraw/zinc/35/00/18/1394350018.db2.gz CBEPMAFCLHVVQZ-OAHLLOKOSA-N 1 0 339.823 2.969 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001456448981 1394694364 /nfs/dbraw/zinc/69/43/64/1394694364.db2.gz RPHQGRYDTGFUNU-UHFFFAOYSA-N 1 0 326.312 2.894 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001457079400 1394958447 /nfs/dbraw/zinc/95/84/47/1394958447.db2.gz BDRMUTAKZRRMAG-WMLDXEAASA-N 1 0 346.431 2.512 10 5 EFBERO CCC[N@H+](CC)CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001458224635 1395427080 /nfs/dbraw/zinc/42/70/80/1395427080.db2.gz ZMVDYDNUUVXRQU-CLFYSBASSA-N 1 0 335.404 2.925 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)nc1-c1ccccc1 ZINC001458560929 1395498616 /nfs/dbraw/zinc/49/86/16/1395498616.db2.gz CQGRRBSDLQIIFN-ZDUSSCGKSA-N 1 0 330.413 2.774 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001458716513 1395561058 /nfs/dbraw/zinc/56/10/58/1395561058.db2.gz ISXHJAIULYYJOF-SNVBAGLBSA-N 1 0 328.210 2.888 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC001459791232 1395983820 /nfs/dbraw/zinc/98/38/20/1395983820.db2.gz JPLGMUPXRFPRQX-WDEREUQCSA-N 1 0 343.305 2.650 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001460754134 1396252135 /nfs/dbraw/zinc/25/21/35/1396252135.db2.gz CWDBCMIUHBWLMU-LLVKDONJSA-N 1 0 344.327 2.792 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3cnccn3)C2)cc1 ZINC001460863393 1396265907 /nfs/dbraw/zinc/26/59/07/1396265907.db2.gz UBKQOIVMJFIVKV-CQSZACIVSA-N 1 0 328.372 2.643 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2([C@@H]3CCCO3)CCC2)c1 ZINC001460943428 1396272493 /nfs/dbraw/zinc/27/24/93/1396272493.db2.gz FOQNKIFNTNCFHK-HNNXBMFYSA-N 1 0 334.372 2.573 10 5 EFBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC001463864160 1396526747 /nfs/dbraw/zinc/52/67/47/1396526747.db2.gz CYFZVJBEDVDZQQ-UHFFFAOYSA-N 1 0 337.807 2.534 10 5 EFBERO CCC[N@@H+]1Cc2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2C1 ZINC001464761932 1396603635 /nfs/dbraw/zinc/60/36/35/1396603635.db2.gz QAVNRMIDXVGOGV-UHFFFAOYSA-N 1 0 342.355 2.673 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001466056488 1396734015 /nfs/dbraw/zinc/73/40/15/1396734015.db2.gz MCPQMJUVCWXWJT-YPMHNXCESA-N 1 0 339.823 2.985 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001468602198 1396970916 /nfs/dbraw/zinc/97/09/16/1396970916.db2.gz VHPWJTBJRAWKJX-SNVBAGLBSA-N 1 0 342.827 2.681 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1(C)C ZINC001469333469 1397024510 /nfs/dbraw/zinc/02/45/10/1397024510.db2.gz SLRXDRSDTDSASG-KBPBESRZSA-N 1 0 330.388 2.535 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001469792874 1397054599 /nfs/dbraw/zinc/05/45/99/1397054599.db2.gz NMEQLHFDEILARN-UHFFFAOYSA-N 1 0 342.827 2.538 10 5 EFBERO CC[C@@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472655692 1397266760 /nfs/dbraw/zinc/26/67/60/1397266760.db2.gz XDTUIDTYIPOKDF-ZDUSSCGKSA-N 1 0 344.415 2.860 10 5 EFBERO Nc1nnc([C@@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)o1 ZINC001473681956 1397320824 /nfs/dbraw/zinc/32/08/24/1397320824.db2.gz QNZGCKSSBBQNOA-SNVBAGLBSA-N 1 0 337.767 2.593 10 5 EFBERO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC001473797404 1397332639 /nfs/dbraw/zinc/33/26/39/1397332639.db2.gz MWGUECARVBLTMV-CYBMUJFWSA-N 1 0 343.431 2.920 10 5 EFBERO C[C@@]12CSC[C@@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001473862267 1397340503 /nfs/dbraw/zinc/34/05/03/1397340503.db2.gz BAECRTQLPDCMQY-BLLLJJGKSA-N 1 0 335.429 2.608 10 5 EFBERO Cn1cc(C[N@@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897583 1397347489 /nfs/dbraw/zinc/34/74/89/1397347489.db2.gz LGOVWAFPNOFDDS-ZDUSSCGKSA-N 1 0 346.435 2.659 10 5 EFBERO O=C(CCC1CC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001479286471 1397666893 /nfs/dbraw/zinc/66/68/93/1397666893.db2.gz FPUJWVBTHFUWEB-FZNQNYSPSA-N 1 0 331.416 2.769 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc(C)on1)Cc1cccc([N+](=O)[O-])c1 ZINC001479837515 1397933995 /nfs/dbraw/zinc/93/39/95/1397933995.db2.gz TVLURZRYQIFPPK-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccc[nH]1 ZINC001495130030 1399687460 /nfs/dbraw/zinc/68/74/60/1399687460.db2.gz NCHOVNYZOOFEQI-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO CCOCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001495446931 1399986637 /nfs/dbraw/zinc/98/66/37/1399986637.db2.gz XHEDAHMJQQDXDN-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccc[nH]1 ZINC001495891848 1400336123 /nfs/dbraw/zinc/33/61/23/1400336123.db2.gz HYPKMFBVDGEGCV-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO CN(CCN(C)C(=O)C1(C(F)F)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001496701414 1400928611 /nfs/dbraw/zinc/92/86/11/1400928611.db2.gz BWMDXXSCLCHNIS-UHFFFAOYSA-N 1 0 341.358 2.530 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001496728987 1400945182 /nfs/dbraw/zinc/94/51/82/1400945182.db2.gz BOLOZNWHFVBMOF-UHFFFAOYSA-N 1 0 344.415 2.744 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cnccc1C ZINC001497368334 1401331804 /nfs/dbraw/zinc/33/18/04/1401331804.db2.gz YAGPFRSDUKKUCY-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001497393850 1401345397 /nfs/dbraw/zinc/34/53/97/1401345397.db2.gz KDKCQEHTWGIDIE-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001497517436 1401431711 /nfs/dbraw/zinc/43/17/11/1401431711.db2.gz JUWUWYFRKIDNLJ-UPHRSURJSA-N 1 0 343.358 2.810 10 5 EFBERO CC(C)(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001499325463 1402566015 /nfs/dbraw/zinc/56/60/15/1402566015.db2.gz QJOYNTGRGWGTJL-UHFFFAOYSA-N 1 0 331.416 2.769 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1ccco1 ZINC001501904336 1403866519 /nfs/dbraw/zinc/86/65/19/1403866519.db2.gz DZHKZIGWTLIQJS-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1 ZINC001502159999 1404057304 /nfs/dbraw/zinc/05/73/04/1404057304.db2.gz RSWLSEJDBKASDG-UHFFFAOYSA-N 1 0 331.372 2.782 10 5 EFBERO CC1([NH2+]CCCC2CCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502778927 1404339128 /nfs/dbraw/zinc/33/91/28/1404339128.db2.gz JQVNJBKXLFYJRI-HZPDHXFCSA-N 1 0 337.464 2.593 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001556549956 1415075280 /nfs/dbraw/zinc/07/52/80/1415075280.db2.gz FXIZVGUNLZQFJZ-CHWSQXEVSA-N 1 0 335.379 2.741 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001556775014 1415087809 /nfs/dbraw/zinc/08/78/09/1415087809.db2.gz WIQVXXNZGMLHFC-QGZVFWFLSA-N 1 0 335.379 2.600 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001557348960 1415121528 /nfs/dbraw/zinc/12/15/28/1415121528.db2.gz FWWMHURTUOUPMA-UHFFFAOYSA-N 1 0 341.839 2.885 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001557581708 1415132847 /nfs/dbraw/zinc/13/28/47/1415132847.db2.gz WAEMJIYANNPRFM-CHWSQXEVSA-N 1 0 334.420 2.512 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C(C)(C)C1 ZINC001558527408 1415185986 /nfs/dbraw/zinc/18/59/86/1415185986.db2.gz QTQWKIGHFUEIGM-NSHDSACASA-N 1 0 341.358 2.642 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C(C)(C)C1 ZINC001558527407 1415186302 /nfs/dbraw/zinc/18/63/02/1415186302.db2.gz QTQWKIGHFUEIGM-LLVKDONJSA-N 1 0 341.358 2.642 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001558769100 1415200524 /nfs/dbraw/zinc/20/05/24/1415200524.db2.gz OZSQGPAIACHERK-YOEHRIQHSA-N 1 0 346.431 2.512 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001558874181 1415207809 /nfs/dbraw/zinc/20/78/09/1415207809.db2.gz BIPMGZCNWJQWOE-CYBMUJFWSA-N 1 0 337.395 2.564 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC001559223695 1415230764 /nfs/dbraw/zinc/23/07/64/1415230764.db2.gz JBFJCMNTOIXUMD-BETUJISGSA-N 1 0 335.404 2.832 10 5 EFBERO CO[C@](C)([C@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001559909248 1415257559 /nfs/dbraw/zinc/25/75/59/1415257559.db2.gz LGVGMLOCQAQDLF-APPDUMDISA-N 1 0 346.387 2.938 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001560176129 1415266316 /nfs/dbraw/zinc/26/63/16/1415266316.db2.gz NZSGDWZVHGSJOH-MRXNPFEDSA-N 1 0 349.431 2.763 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001560225008 1415268324 /nfs/dbraw/zinc/26/83/24/1415268324.db2.gz KPXMFOVJGVQHLD-MRXNPFEDSA-N 1 0 338.310 2.575 10 5 EFBERO COc1ccc(OCC[NH2+]C2([C@@H]3CCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001560227607 1415268526 /nfs/dbraw/zinc/26/85/26/1415268526.db2.gz RRVCOFODADCCFU-INIZCTEOSA-N 1 0 336.388 2.674 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1c(C)nn(C)c1C ZINC001560618338 1415291874 /nfs/dbraw/zinc/29/18/74/1415291874.db2.gz QEECWTDBNIBHFS-SAYIFAPPSA-N 1 0 344.415 2.672 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001566267128 1415537690 /nfs/dbraw/zinc/53/76/90/1415537690.db2.gz OYZYDIHIGRWXSE-GOEBONIOSA-N 1 0 331.416 2.600 10 5 EFBERO C[N@H+](CCCNC(=O)CC(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001566488884 1415580985 /nfs/dbraw/zinc/58/09/85/1415580985.db2.gz ZSFNRXTUKMRYEK-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO O=C(CCC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001566786295 1415774459 /nfs/dbraw/zinc/77/44/59/1415774459.db2.gz SCOHXEKLISDQLL-HAQNSBGRSA-N 1 0 345.321 2.674 10 5 EFBERO Cc1cc(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)co1 ZINC001567440179 1416139584 /nfs/dbraw/zinc/13/95/84/1416139584.db2.gz UZBNZMHBOUAGQO-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO CCn1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001567548365 1416182374 /nfs/dbraw/zinc/18/23/74/1416182374.db2.gz GGYQXUUQQCMSMB-UHFFFAOYSA-N 1 0 344.415 2.586 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1cc[nH]c1 ZINC001568235327 1416450506 /nfs/dbraw/zinc/45/05/06/1416450506.db2.gz LJEZIKYZHXDVAN-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO CCc1ccc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC001646039069 1416604540 /nfs/dbraw/zinc/60/45/40/1416604540.db2.gz VJHXEPDLGHGTDJ-UHFFFAOYSA-N 1 0 340.427 2.917 10 5 EFBERO CC[N@H+](CCCNC(=O)c1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689961518 1417107252 /nfs/dbraw/zinc/10/72/52/1417107252.db2.gz BEPWMCWGPDEIQU-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001713280154 1418450178 /nfs/dbraw/zinc/45/01/78/1418450178.db2.gz AXSXBGFLXLAOMI-QLPKVWCKSA-N 1 0 331.416 2.577 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001714815486 1418639303 /nfs/dbraw/zinc/63/93/03/1418639303.db2.gz DIIQGAGDEQSZEG-UHFFFAOYSA-N 1 0 346.387 2.613 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001715832200 1418685669 /nfs/dbraw/zinc/68/56/69/1418685669.db2.gz CVXOXEXAYDRSMK-AATRIKPKSA-N 1 0 342.399 2.616 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)[nH]c1C ZINC001716242147 1418734805 /nfs/dbraw/zinc/73/48/05/1418734805.db2.gz QAHVBCVITGLAHO-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC001716688266 1418958504 /nfs/dbraw/zinc/95/85/04/1418958504.db2.gz AGDPDKXMBVOPBI-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001717008689 1419144731 /nfs/dbraw/zinc/14/47/31/1419144731.db2.gz UAISMPIUARNOSJ-IUNVMDDCSA-N 1 0 343.427 2.841 10 5 EFBERO CC/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001717008690 1419144898 /nfs/dbraw/zinc/14/48/98/1419144898.db2.gz UAISMPIUARNOSJ-VWHBIUGESA-N 1 0 343.427 2.841 10 5 EFBERO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)C2CC2)CC1 ZINC001717234743 1419279257 /nfs/dbraw/zinc/27/92/57/1419279257.db2.gz NGAWEICTJLYHLM-UHFFFAOYSA-N 1 0 337.445 2.927 10 5 EFBERO CC(F)(F)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001717648201 1419486713 /nfs/dbraw/zinc/48/67/13/1419486713.db2.gz RTEUHEIICOFXBR-HOMQSWHASA-N 1 0 347.387 2.686 10 5 EFBERO CC1(CNC(=O)C(F)F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001724271454 1424718366 /nfs/dbraw/zinc/71/83/66/1424718366.db2.gz LJDFDLRQMPPDQV-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000890880297 713536446 /nfs/dbraw/zinc/53/64/46/713536446.db2.gz YYPGDCXCLHIPAH-JKSUJKDBSA-N 1 0 333.432 2.745 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000160744606 714454792 /nfs/dbraw/zinc/45/47/92/714454792.db2.gz ZLBXYOPLPQJPRA-OAHLLOKOSA-N 1 0 345.374 2.637 10 5 EFBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723881929 714995995 /nfs/dbraw/zinc/99/59/95/714995995.db2.gz DWFZIIPNZQWLSH-NXEZZACHSA-N 1 0 328.210 2.778 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000893447907 715514632 /nfs/dbraw/zinc/51/46/32/715514632.db2.gz MPSPPIQVNZHFDY-CQSZACIVSA-N 1 0 340.383 2.649 10 5 EFBERO CC[C@H](NC(=O)N1CCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000893451617 715546489 /nfs/dbraw/zinc/54/64/89/715546489.db2.gz SBWIAGHVZQRSOY-INIZCTEOSA-N 1 0 346.431 2.926 10 5 EFBERO C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000000000364 717087745 /nfs/dbraw/zinc/08/77/45/717087745.db2.gz NEFZSDAFBFJUNW-AZUAARDMSA-N 1 0 332.464 2.846 10 5 in-man EFBERO CC(C)Oc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892766345 719140918 /nfs/dbraw/zinc/14/09/18/719140918.db2.gz JRIDSDGSFSIAKV-SFHVURJKSA-N 1 0 347.415 2.596 10 5 EFBERO CC(C)Oc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892766344 719141009 /nfs/dbraw/zinc/14/10/09/719141009.db2.gz JRIDSDGSFSIAKV-GOSISDBHSA-N 1 0 347.415 2.596 10 5 EFBERO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(F)c1OC ZINC000894765684 722841912 /nfs/dbraw/zinc/84/19/12/722841912.db2.gz KTRFXTGEZFAKGZ-UHFFFAOYSA-N 1 0 349.362 2.716 10 5 EFBERO C[C@H]1[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434945 722862670 /nfs/dbraw/zinc/86/26/70/722862670.db2.gz FQVVRWWUUVCLCC-GXSJLCMTSA-N 1 0 343.836 2.549 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928438784 722872257 /nfs/dbraw/zinc/87/22/57/722872257.db2.gz MPACFWRWIXDRHU-SMDDNHRTSA-N 1 0 337.445 2.918 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000727112252 723819793 /nfs/dbraw/zinc/81/97/93/723819793.db2.gz FFBNTDAJSPPTQK-BUUCAEBMSA-N 1 0 335.404 2.923 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913254 723866941 /nfs/dbraw/zinc/86/69/41/723866941.db2.gz PFZXSYROEBHXQD-YGRLFVJLSA-N 1 0 340.221 2.745 10 5 EFBERO CCc1[nH]c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)OC ZINC000895457901 724141837 /nfs/dbraw/zinc/14/18/37/724141837.db2.gz JLPBRKHEBGPIQO-UHFFFAOYSA-N 1 0 331.372 2.870 10 5 EFBERO CC1(C)CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)OC1 ZINC000895528933 724179398 /nfs/dbraw/zinc/17/93/98/724179398.db2.gz CAYFGPVFQLMAKI-MRXNPFEDSA-N 1 0 348.447 2.753 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000895536587 724186267 /nfs/dbraw/zinc/18/62/67/724186267.db2.gz LTQGRJTYDXRKFP-QGZVFWFLSA-N 1 0 334.416 2.703 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]CCc3ccc([N+](=O)[O-])cc3)O2)[C@H]1C ZINC000895817972 724330557 /nfs/dbraw/zinc/33/05/57/724330557.db2.gz AALKNKJVUMNTLW-DFEHZGFQSA-N 1 0 334.416 2.700 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913631957 725784971 /nfs/dbraw/zinc/78/49/71/725784971.db2.gz KPIUIZGWWPADMB-UHFFFAOYSA-N 1 0 335.429 2.673 10 5 EFBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814363 725875757 /nfs/dbraw/zinc/87/57/57/725875757.db2.gz UPNBOTNFTGBDDP-NWDGAFQWSA-N 1 0 341.770 2.696 10 5 EFBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814365 725875779 /nfs/dbraw/zinc/87/57/79/725875779.db2.gz UPNBOTNFTGBDDP-VXGBXAGGSA-N 1 0 341.770 2.696 10 5 EFBERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000313030346 725966357 /nfs/dbraw/zinc/96/63/57/725966357.db2.gz RGLXXNQZLJCQSG-LBPRGKRZSA-N 1 0 329.194 2.872 10 5 EFBERO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188992 727002012 /nfs/dbraw/zinc/00/20/12/727002012.db2.gz PDRIMZGPTPWPLI-ZDUSSCGKSA-N 1 0 348.428 2.998 10 5 EFBERO C[NH+](C)C1CC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000908012713 727075403 /nfs/dbraw/zinc/07/54/03/727075403.db2.gz PGXCKIRLXASHDE-UHFFFAOYSA-N 1 0 332.187 2.724 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908442116 727187522 /nfs/dbraw/zinc/18/75/22/727187522.db2.gz CQKDWZNGFKVHKU-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000908501793 727203979 /nfs/dbraw/zinc/20/39/79/727203979.db2.gz NJKDDKVPJZNGML-UHFFFAOYSA-N 1 0 345.443 2.908 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000910285436 727427463 /nfs/dbraw/zinc/42/74/63/727427463.db2.gz BVMYDMMHZFGDCI-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912649916 727732268 /nfs/dbraw/zinc/73/22/68/727732268.db2.gz GAGSAAZWGGSOLN-QWHCGFSZSA-N 1 0 334.420 2.512 10 5 EFBERO O=C(N1CCCCc2ccc([N+](=O)[O-])cc21)[C@@]12CC[N@H+](C1)CCC2 ZINC000912653504 727732850 /nfs/dbraw/zinc/73/28/50/727732850.db2.gz RZCZVLQZSXDDPY-SFHVURJKSA-N 1 0 329.400 2.750 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000150903645 727737422 /nfs/dbraw/zinc/73/74/22/727737422.db2.gz CPDXISWSLBGBQE-UHFFFAOYSA-N 1 0 337.395 2.894 10 5 EFBERO C/C(=C\C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000912875434 727753764 /nfs/dbraw/zinc/75/37/64/727753764.db2.gz FQKZQHNCUHFALX-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO C[C@@H](C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000912875637 727753774 /nfs/dbraw/zinc/75/37/74/727753774.db2.gz KPWGGBKYZPXTED-GFCCVEGCSA-N 1 0 335.379 2.534 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@]2(C)C1 ZINC000913288261 727816671 /nfs/dbraw/zinc/81/66/71/727816671.db2.gz CIZBLQIYSFELSB-QZTJIDSGSA-N 1 0 343.383 2.755 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000913385669 727830875 /nfs/dbraw/zinc/83/08/75/727830875.db2.gz HAPXHARLOKKKLB-CMPLNLGQSA-N 1 0 343.786 2.734 10 5 EFBERO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000913385361 727830913 /nfs/dbraw/zinc/83/09/13/727830913.db2.gz YPLOJEIUQRSNHM-LBPRGKRZSA-N 1 0 341.770 2.630 10 5 EFBERO C[C@@H]1CCCCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738226102 727924272 /nfs/dbraw/zinc/92/42/72/727924272.db2.gz KGISPPVZIIDANS-CYBMUJFWSA-N 1 0 346.387 2.585 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230135006 728563510 /nfs/dbraw/zinc/56/35/10/728563510.db2.gz WRIBBTSKQROXOF-ADEWGFFLSA-N 1 0 340.221 2.921 10 5 EFBERO CCOCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000172179178 728572686 /nfs/dbraw/zinc/57/26/86/728572686.db2.gz GJCMFKNXWKVHLV-ZDUSSCGKSA-N 1 0 341.839 2.791 10 5 EFBERO CC[NH+](CC)C[C@@H](C)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000921054836 729256437 /nfs/dbraw/zinc/25/64/37/729256437.db2.gz CMSRENSYBPXLAY-CHOZFAJLSA-N 1 0 335.404 2.923 10 5 EFBERO CCCn1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000179534685 729586707 /nfs/dbraw/zinc/58/67/07/729586707.db2.gz RKFISBLRLCJBGB-UHFFFAOYSA-N 1 0 329.404 2.524 10 5 EFBERO O=C(CC1CCCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569389181 1085170829 /nfs/dbraw/zinc/17/08/29/1085170829.db2.gz XZNAGFHHZSGYFU-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(C2CC2)CC1 ZINC001569404570 1085183693 /nfs/dbraw/zinc/18/36/93/1085183693.db2.gz UMHGIPKEEYVDEV-UHFFFAOYSA-N 1 0 329.400 2.523 10 5 EFBERO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001569414732 1085190275 /nfs/dbraw/zinc/19/02/75/1085190275.db2.gz RUWANSRJBQWDRB-UHFFFAOYSA-N 1 0 331.416 2.769 10 5 EFBERO CC(C)CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001569450452 1085233333 /nfs/dbraw/zinc/23/33/33/1085233333.db2.gz WXTFUVFUHCVVQQ-IAGOWNOFSA-N 1 0 339.480 2.839 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)co1 ZINC001570102965 1085950518 /nfs/dbraw/zinc/95/05/18/1085950518.db2.gz WTVGRDALYOHRHL-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001570901196 1086600631 /nfs/dbraw/zinc/60/06/31/1086600631.db2.gz NSXFEPUAXFCBQW-TXEJJXNPSA-N 1 0 339.823 2.732 10 5 EFBERO COc1cc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001646536845 1087847515 /nfs/dbraw/zinc/84/75/15/1087847515.db2.gz KRHDIVOMLFZOCE-INIZCTEOSA-N 1 0 339.411 2.905 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC001647837454 1089891311 /nfs/dbraw/zinc/89/13/11/1089891311.db2.gz VHWBFUWAYVDBGY-CVEARBPZSA-N 1 0 343.383 2.944 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001647836737 1089891621 /nfs/dbraw/zinc/89/16/21/1089891621.db2.gz OOGDNYOJFRBWFA-JKSUJKDBSA-N 1 0 345.443 2.861 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001647877865 1089902858 /nfs/dbraw/zinc/90/28/58/1089902858.db2.gz UVQPABYYHCIWAJ-LSDHHAIUSA-N 1 0 325.453 2.543 10 5 EFBERO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001583413433 1091995050 /nfs/dbraw/zinc/99/50/50/1091995050.db2.gz VESWWAVNAAFXKY-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO CC[C@H](OC(=O)COC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001583949558 1092089196 /nfs/dbraw/zinc/08/91/96/1092089196.db2.gz DQQPIKVDOAJUFO-INIZCTEOSA-N 1 0 336.388 2.700 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648591953 1092236489 /nfs/dbraw/zinc/23/64/89/1092236489.db2.gz SWDJBOYQUCYZBC-FHWLQOOXSA-N 1 0 347.459 2.823 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001586631909 1092748236 /nfs/dbraw/zinc/74/82/36/1092748236.db2.gz WTGCCCYIGRHGNW-DGCLKSJQSA-N 1 0 339.823 2.732 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCCCC1 ZINC001650624596 1093475872 /nfs/dbraw/zinc/47/58/72/1093475872.db2.gz BCFYCHDBWFQJQE-UHFFFAOYSA-N 1 0 341.795 2.933 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1sccc1F ZINC001267368988 1094331446 /nfs/dbraw/zinc/33/14/46/1094331446.db2.gz LZZXIMZKPZPTKL-UHFFFAOYSA-N 1 0 343.405 2.719 10 5 EFBERO Cc1csc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001267368833 1094331994 /nfs/dbraw/zinc/33/19/94/1094331994.db2.gz GNLKDPXDORIYAB-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001598098156 1094655090 /nfs/dbraw/zinc/65/50/90/1094655090.db2.gz KGQAAGWRYRIGLR-ZDUSSCGKSA-N 1 0 335.379 2.743 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC=CC1 ZINC001481163442 1095070519 /nfs/dbraw/zinc/07/05/19/1095070519.db2.gz JMDSDUYGRKERDZ-UHFFFAOYSA-N 1 0 329.400 2.642 10 5 EFBERO C/C(=C/C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357613 1095116804 /nfs/dbraw/zinc/11/68/04/1095116804.db2.gz HCBKTCVJZKVLMP-XFNCEPBJSA-N 1 0 331.416 2.846 10 5 EFBERO C/C(=C/C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357610 1095117357 /nfs/dbraw/zinc/11/73/57/1095117357.db2.gz HCBKTCVJZKVLMP-ADVGAGMGSA-N 1 0 331.416 2.846 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001481202075 1095324902 /nfs/dbraw/zinc/32/49/02/1095324902.db2.gz KEVYYAWABVWSBA-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1(C)CC1 ZINC001268465600 1096782857 /nfs/dbraw/zinc/78/28/57/1096782857.db2.gz JKYTXROEEGQLLU-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001268476932 1096872501 /nfs/dbraw/zinc/87/25/01/1096872501.db2.gz MRQPSELBFAXDHP-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO O=C(CCCF)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001482023287 1097104654 /nfs/dbraw/zinc/10/46/54/1097104654.db2.gz WRUBWESSJGJYII-SHTZXODSSA-N 1 0 337.395 2.862 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001606969199 1097484389 /nfs/dbraw/zinc/48/43/89/1097484389.db2.gz AHZIDNNQMUBLAN-CJNGLKHVSA-N 1 0 346.431 2.512 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001268865219 1097692856 /nfs/dbraw/zinc/69/28/56/1097692856.db2.gz UYEZZWVSZJRTEN-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001268885813 1097701815 /nfs/dbraw/zinc/70/18/15/1097701815.db2.gz URPDHGAXEIYXCZ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001611165642 1098985346 /nfs/dbraw/zinc/98/53/46/1098985346.db2.gz QYGKZYXVGDHYGS-WMLDXEAASA-N 1 0 333.432 2.887 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001611391395 1099007898 /nfs/dbraw/zinc/00/78/98/1099007898.db2.gz OBZQVWCCELHXKA-LSDHHAIUSA-N 1 0 335.379 2.789 10 5 EFBERO CC[N@@H+]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001612145767 1099046590 /nfs/dbraw/zinc/04/65/90/1099046590.db2.gz XBWPIJXFTJQJEI-LBPRGKRZSA-N 1 0 330.388 2.682 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001612441643 1099058890 /nfs/dbraw/zinc/05/88/90/1099058890.db2.gz SITYWDTVKLANBG-CYBMUJFWSA-N 1 0 337.420 2.843 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC001612606623 1099070039 /nfs/dbraw/zinc/07/00/39/1099070039.db2.gz DBIYJZRBOXXUDW-ZIAGYGMSSA-N 1 0 327.388 2.823 10 5 EFBERO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001612595089 1099070946 /nfs/dbraw/zinc/07/09/46/1099070946.db2.gz ZCXVAUKTAXSCKB-UHFFFAOYSA-N 1 0 348.369 2.909 10 5 EFBERO CC[NH+](CC)CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC001613069250 1099089678 /nfs/dbraw/zinc/08/96/78/1099089678.db2.gz WBGRZOXPDINYIX-AWEZNQCLSA-N 1 0 344.419 2.852 10 5 EFBERO CN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001615463003 1099160645 /nfs/dbraw/zinc/16/06/45/1099160645.db2.gz XJWNSWWWTMJWAR-UHFFFAOYSA-N 1 0 342.237 2.885 10 5 EFBERO Cc1c(CNC(=O)c2cccc(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC001616298695 1099174106 /nfs/dbraw/zinc/17/41/06/1099174106.db2.gz ILCNBDUHDUPLLN-UHFFFAOYSA-N 1 0 341.411 2.937 10 5 EFBERO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001616801260 1099195339 /nfs/dbraw/zinc/19/53/39/1099195339.db2.gz HMKIWZHSALXGRU-CQSZACIVSA-N 1 0 333.348 2.749 10 5 EFBERO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC001617104687 1099212768 /nfs/dbraw/zinc/21/27/68/1099212768.db2.gz WVCILNUGVYYSDN-TZMCWYRMSA-N 1 0 332.360 2.692 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1 ZINC001481310559 1099213866 /nfs/dbraw/zinc/21/38/66/1099213866.db2.gz JZUBPYSXAHLGIW-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CC1(C)CC[N@H+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001617111826 1099214518 /nfs/dbraw/zinc/21/45/18/1099214518.db2.gz CQGPFLFJUIGOLV-UHFFFAOYSA-N 1 0 325.796 2.710 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001617464641 1099240792 /nfs/dbraw/zinc/24/07/92/1099240792.db2.gz HZYSDWGGKKMSDV-ZWKOTPCHSA-N 1 0 334.416 2.797 10 5 EFBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC001620428525 1099352257 /nfs/dbraw/zinc/35/22/57/1099352257.db2.gz NNMDNJCWTRAUDV-GOSISDBHSA-N 1 0 347.459 2.713 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1F ZINC001481272220 1099461583 /nfs/dbraw/zinc/46/15/83/1099461583.db2.gz DBWHMBLVGAAPHG-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1occc1Cl ZINC001481277260 1099762964 /nfs/dbraw/zinc/76/29/64/1099762964.db2.gz OBFFCONKMWXZDS-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccc[nH]1 ZINC001268032693 1099795874 /nfs/dbraw/zinc/79/58/74/1099795874.db2.gz QLCOYGYICQNOQB-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO CC1(C)CC(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001670776505 1099901557 /nfs/dbraw/zinc/90/15/57/1099901557.db2.gz GSJRQLIOPCOJKS-UHFFFAOYSA-N 1 0 331.416 2.769 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001627285975 1099977267 /nfs/dbraw/zinc/97/72/67/1099977267.db2.gz WGFIWQLLDMHKQR-STQMWFEESA-N 1 0 341.358 2.532 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001627285973 1099977581 /nfs/dbraw/zinc/97/75/81/1099977581.db2.gz WGFIWQLLDMHKQR-OLZOCXBDSA-N 1 0 341.358 2.532 10 5 EFBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001630352398 1100297447 /nfs/dbraw/zinc/29/74/47/1100297447.db2.gz FYICWMVHWBKFIH-ZDUSSCGKSA-N 1 0 339.823 2.591 10 5 EFBERO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001630352397 1100297782 /nfs/dbraw/zinc/29/77/82/1100297782.db2.gz FYICWMVHWBKFIH-CYBMUJFWSA-N 1 0 339.823 2.591 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000044561317 1100308132 /nfs/dbraw/zinc/30/81/32/1100308132.db2.gz GYLIYQUHICEENW-SNVBAGLBSA-N 1 0 329.198 2.649 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001630587929 1100320550 /nfs/dbraw/zinc/32/05/50/1100320550.db2.gz WOUUZILCDJCWQR-LSDHHAIUSA-N 1 0 349.456 2.676 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC001632740396 1100498337 /nfs/dbraw/zinc/49/83/37/1100498337.db2.gz WGXBBWPOSGFPLY-OAHLLOKOSA-N 1 0 331.416 2.913 10 5 EFBERO CC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC001633921438 1100574741 /nfs/dbraw/zinc/57/47/41/1100574741.db2.gz FLDAEFNZORWGLY-BSWAZPDLSA-N 1 0 346.431 2.685 10 5 EFBERO C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001633928818 1100575389 /nfs/dbraw/zinc/57/53/89/1100575389.db2.gz UYUNICINLOICAN-VIFPVBQESA-N 1 0 342.827 2.537 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687081 1100624017 /nfs/dbraw/zinc/62/40/17/1100624017.db2.gz QOIBBCMMULCIOQ-BBRMVZONSA-N 1 0 342.399 2.563 10 5 EFBERO Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(N)c1[N+](=O)[O-] ZINC001636724055 1100733930 /nfs/dbraw/zinc/73/39/30/1100733930.db2.gz LWERPTPGFQCRLZ-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001637003999 1100750312 /nfs/dbraw/zinc/75/03/12/1100750312.db2.gz VXINHBVITRNIHY-HNNXBMFYSA-N 1 0 343.387 2.798 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001637741846 1100803017 /nfs/dbraw/zinc/80/30/17/1100803017.db2.gz WNKWSKOGKYWRDT-UHFFFAOYSA-N 1 0 337.767 2.594 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001638777235 1100885417 /nfs/dbraw/zinc/88/54/17/1100885417.db2.gz LRZYTJYOJRBUGV-KBPBESRZSA-N 1 0 337.445 2.775 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(C)C ZINC001638770176 1100885517 /nfs/dbraw/zinc/88/55/17/1100885517.db2.gz QNMDBVNLBBBBTQ-JKSUJKDBSA-N 1 0 346.431 2.628 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001639122507 1100914959 /nfs/dbraw/zinc/91/49/59/1100914959.db2.gz JPVHNGWAMXJCKV-ZDUSSCGKSA-N 1 0 342.399 2.544 10 5 EFBERO COc1cc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC001639305581 1100937701 /nfs/dbraw/zinc/93/77/01/1100937701.db2.gz GWXHJOXMESYXLZ-UHFFFAOYSA-N 1 0 335.404 2.898 10 5 EFBERO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC001639427280 1100948402 /nfs/dbraw/zinc/94/84/02/1100948402.db2.gz BXKHSHFSYZKASK-MRXNPFEDSA-N 1 0 349.431 2.714 10 5 EFBERO C[NH+]1CCC(C)(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001639686009 1100973929 /nfs/dbraw/zinc/97/39/29/1100973929.db2.gz VMDBNUONPUIJMW-UHFFFAOYSA-N 1 0 332.379 2.848 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001639867337 1100991242 /nfs/dbraw/zinc/99/12/42/1100991242.db2.gz LXDMOHGMTOMTRI-UHFFFAOYSA-N 1 0 335.379 2.647 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001639985174 1101000492 /nfs/dbraw/zinc/00/04/92/1101000492.db2.gz GVHZNGQVJBCVCR-SECBINFHSA-N 1 0 337.346 2.879 10 5 EFBERO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)s1 ZINC001640057167 1101009497 /nfs/dbraw/zinc/00/94/97/1101009497.db2.gz DQFUXLNLJTVZFD-KGLIPLIRSA-N 1 0 330.413 2.762 10 5 EFBERO CC1(CC(=O)N2CC3(C2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C3)CC1 ZINC001640228506 1101026027 /nfs/dbraw/zinc/02/60/27/1101026027.db2.gz HOXZQNSLSVTVGX-UHFFFAOYSA-N 1 0 343.427 2.819 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCCC[NH+](C)C ZINC001640355185 1101038293 /nfs/dbraw/zinc/03/82/93/1101038293.db2.gz QARYQDZSCCUUTP-UHFFFAOYSA-N 1 0 343.811 2.813 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001640447881 1101047974 /nfs/dbraw/zinc/04/79/74/1101047974.db2.gz DLRPITQISHVZDN-IRXDYDNUSA-N 1 0 331.416 2.930 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001640524725 1101055354 /nfs/dbraw/zinc/05/53/54/1101055354.db2.gz AZCNGQOARFGKII-GJZGRUSLSA-N 1 0 343.431 2.942 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001642071799 1101187576 /nfs/dbraw/zinc/18/75/76/1101187576.db2.gz HTBVRCMTQBMTIT-UHFFFAOYSA-N 1 0 345.359 2.673 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001642153977 1101192830 /nfs/dbraw/zinc/19/28/30/1101192830.db2.gz FXMONKCTYPACLQ-ZDUSSCGKSA-N 1 0 344.415 2.717 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001642247910 1101201944 /nfs/dbraw/zinc/20/19/44/1101201944.db2.gz JCHOWRHLBCSQGS-ZDUSSCGKSA-N 1 0 330.363 2.600 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001642418158 1101212223 /nfs/dbraw/zinc/21/22/23/1101212223.db2.gz VCDFDGRZOQKLME-CVEARBPZSA-N 1 0 331.416 2.814 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2c1 ZINC001642431539 1101213452 /nfs/dbraw/zinc/21/34/52/1101213452.db2.gz MQWAWAORCQWBPZ-NWDGAFQWSA-N 1 0 342.399 2.611 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc2c[nH+]cn2c1 ZINC001642775231 1101241307 /nfs/dbraw/zinc/24/13/07/1101241307.db2.gz GQYUQCXKQVEILO-UHFFFAOYSA-N 1 0 340.265 2.607 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001642913594 1101255220 /nfs/dbraw/zinc/25/52/20/1101255220.db2.gz UVNZKDUKVSBNQN-HNNXBMFYSA-N 1 0 346.431 2.704 10 5 EFBERO CN1Cc2ccccc2[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001642914081 1101255284 /nfs/dbraw/zinc/25/52/84/1101255284.db2.gz ZNYOHMSRTMOCMU-MRXNPFEDSA-N 1 0 329.331 2.650 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCC[N@@H+]3CCSC[C@H]13)CCCC2 ZINC001643172160 1101276651 /nfs/dbraw/zinc/27/66/51/1101276651.db2.gz GYBULZKEFNYMPV-GOEBONIOSA-N 1 0 348.472 2.860 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001651441039 1101329931 /nfs/dbraw/zinc/32/99/31/1101329931.db2.gz CYZYRUCLLPCFFX-GFCCVEGCSA-N 1 0 332.379 2.848 10 5 EFBERO C[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001651900258 1101402083 /nfs/dbraw/zinc/40/20/83/1101402083.db2.gz OGWUPXRXZOULCU-PHIMTYICSA-N 1 0 345.359 2.580 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001652037539 1101424636 /nfs/dbraw/zinc/42/46/36/1101424636.db2.gz UNOMHAYMMCESNX-LBPRGKRZSA-N 1 0 332.379 2.989 10 5 EFBERO CCOC(=O)c1ccnc(NCC2([NH2+]C)CCCCC2)c1[N+](=O)[O-] ZINC001652160267 1101445363 /nfs/dbraw/zinc/44/53/63/1101445363.db2.gz ZXFVEMPTXFSTKL-UHFFFAOYSA-N 1 0 336.392 2.501 10 5 EFBERO O=[N+]([O-])c1c(N2CCN3C[C@@H](F)C[C@H]3C2)cccc1C(F)(F)F ZINC001652300066 1101470928 /nfs/dbraw/zinc/47/09/28/1101470928.db2.gz KVBIYAOPKHIJRM-UWVGGRQHSA-N 1 0 333.285 2.846 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001652315745 1101474890 /nfs/dbraw/zinc/47/48/90/1101474890.db2.gz QZRLQGBTIWBGMR-FNORWQNLSA-N 1 0 347.415 2.925 10 5 EFBERO CCCCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001653027799 1101577909 /nfs/dbraw/zinc/57/79/09/1101577909.db2.gz VIFFGXARDRMMJR-LSDHHAIUSA-N 1 0 326.441 2.737 10 5 EFBERO CCCCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001653027796 1101577952 /nfs/dbraw/zinc/57/79/52/1101577952.db2.gz VIFFGXARDRMMJR-CABCVRRESA-N 1 0 326.441 2.737 10 5 EFBERO Cc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c(N)c1[N+](=O)[O-] ZINC001653215319 1101596652 /nfs/dbraw/zinc/59/66/52/1101596652.db2.gz VGVLYEHHYJYAHF-INIZCTEOSA-N 1 0 338.383 2.636 10 5 EFBERO Cc1ccc(NC(=O)c2cccc(CC[NH+](C)C)c2)c(N)c1[N+](=O)[O-] ZINC001653218117 1101598153 /nfs/dbraw/zinc/59/81/53/1101598153.db2.gz UEDSAOTVCWOGDB-UHFFFAOYSA-N 1 0 342.399 2.842 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081491 1101679569 /nfs/dbraw/zinc/67/95/69/1101679569.db2.gz YIJICDYWIBTGEC-NEPJUHHUSA-N 1 0 344.371 2.655 10 5 EFBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001654795381 1101756206 /nfs/dbraw/zinc/75/62/06/1101756206.db2.gz YGNIVQSWGNMHMO-CYBMUJFWSA-N 1 0 348.403 2.952 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001654845400 1101762633 /nfs/dbraw/zinc/76/26/33/1101762633.db2.gz KJAKTVWJQVAIGC-UHFFFAOYSA-N 1 0 328.372 2.643 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001655120672 1101787955 /nfs/dbraw/zinc/78/79/55/1101787955.db2.gz UWFMAXFRBBJKPS-ZIAGYGMSSA-N 1 0 335.404 2.731 10 5 EFBERO CC[N@H+](CCNC(=O)c1cnc(C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC001266379914 1101790029 /nfs/dbraw/zinc/79/00/29/1101790029.db2.gz DSRPKHXCZPHJPQ-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)c2c1 ZINC001655152353 1101790253 /nfs/dbraw/zinc/79/02/53/1101790253.db2.gz NVZLKLNYWJAWCV-LBPRGKRZSA-N 1 0 346.431 2.962 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(C4(O)CCC4)CCC3)nc2c1 ZINC001655556782 1101847818 /nfs/dbraw/zinc/84/78/18/1101847818.db2.gz CEFLNXHHCYRSSA-UHFFFAOYSA-N 1 0 331.372 2.911 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(C)C ZINC001655598723 1101856791 /nfs/dbraw/zinc/85/67/91/1101856791.db2.gz WJFTVJZYLPIEAZ-HUUCEWRRSA-N 1 0 332.404 2.620 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001655669474 1101867630 /nfs/dbraw/zinc/86/76/30/1101867630.db2.gz GZWAEIIXAOKPRX-HUUCEWRRSA-N 1 0 333.388 2.666 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669445 1101867852 /nfs/dbraw/zinc/86/78/52/1101867852.db2.gz GRCKGOFXRHOBEH-HZPDHXFCSA-N 1 0 344.390 2.989 10 5 EFBERO CCO[C@H](CNc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC001655835405 1101898585 /nfs/dbraw/zinc/89/85/85/1101898585.db2.gz UYLYMOOSXUWZSG-LLVKDONJSA-N 1 0 346.225 2.736 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH2+]C2(CCCCC2)C1 ZINC001655878623 1101903988 /nfs/dbraw/zinc/90/39/88/1101903988.db2.gz FTXZJZGMKAEUEA-UHFFFAOYSA-N 1 0 347.415 2.802 10 5 EFBERO Cc1c(NC(=O)CC[NH2+]C2([C@@H]3CCCO3)CCC2)cccc1[N+](=O)[O-] ZINC001655886221 1101906654 /nfs/dbraw/zinc/90/66/54/1101906654.db2.gz IIPGAICZASUQDO-INIZCTEOSA-N 1 0 347.415 2.923 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266705681 1101956856 /nfs/dbraw/zinc/95/68/56/1101956856.db2.gz PTBOWLADJULDHK-WMWYWYQKSA-N 1 0 335.429 2.916 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccnn2C)cc1[N+](=O)[O-] ZINC001656567136 1102124186 /nfs/dbraw/zinc/12/41/86/1102124186.db2.gz GZLFVWOPXQUFNQ-HNNXBMFYSA-N 1 0 330.388 2.544 10 5 EFBERO C/C(=C\C(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067519 1102303867 /nfs/dbraw/zinc/30/38/67/1102303867.db2.gz WWYWIJDRYRGCIW-CCEZHUSRSA-N 1 0 331.416 2.990 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072725903 1102349155 /nfs/dbraw/zinc/34/91/55/1102349155.db2.gz UJZHYNOOECQENE-LJQANCHMSA-N 1 0 341.411 2.585 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000588445204 1102544883 /nfs/dbraw/zinc/54/48/83/1102544883.db2.gz FOTCSQCVJNMPEG-SEWDUPMJSA-N 1 0 331.416 2.989 10 5 EFBERO C[N@H+](CCCNC(=O)/C=C/c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001660113678 1102604237 /nfs/dbraw/zinc/60/42/37/1102604237.db2.gz ULUFPXYOEJQJPR-MDZDMXLPSA-N 1 0 342.399 2.574 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc(C)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660486985 1102791824 /nfs/dbraw/zinc/79/18/24/1102791824.db2.gz SAQJKPDFNZJQPN-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO Cc1ccc(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC001266581793 1102889582 /nfs/dbraw/zinc/88/95/82/1102889582.db2.gz OYPDQDWSOZJUMW-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001660682995 1102927352 /nfs/dbraw/zinc/92/73/52/1102927352.db2.gz NWUHJFPLWPREJU-FDQGKXFDSA-N 1 0 347.415 2.813 10 5 EFBERO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905296007 1103011355 /nfs/dbraw/zinc/01/13/55/1103011355.db2.gz LGZWXISUCKOCEW-NSHDSACASA-N 1 0 326.784 2.854 10 5 EFBERO C/C(=C\C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001271969617 1103296067 /nfs/dbraw/zinc/29/60/67/1103296067.db2.gz PEXRFVUVNXYZBO-WYMLVPIESA-N 1 0 331.416 2.841 10 5 EFBERO O=C(/C=C/c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001661561619 1103321573 /nfs/dbraw/zinc/32/15/73/1103321573.db2.gz YSMZBMGNIUGQRO-LAELXIFRSA-N 1 0 341.367 2.638 10 5 EFBERO Cc1ncsc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483454501 1103740781 /nfs/dbraw/zinc/74/07/81/1103740781.db2.gz WVMJDZWERJQVOT-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001649008051 1103918290 /nfs/dbraw/zinc/91/82/90/1103918290.db2.gz INYAVHQKQTVIGZ-SNVBAGLBSA-N 1 0 342.827 2.681 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C(/C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663359443 1104070634 /nfs/dbraw/zinc/07/06/34/1104070634.db2.gz OGAFWVXMVGDGEX-OWBHPGMISA-N 1 0 331.416 2.889 10 5 EFBERO CC[N@H+](CCNC(=O)c1cc(C)sn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663376935 1104074693 /nfs/dbraw/zinc/07/46/93/1104074693.db2.gz CINKEZANOANPRF-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO C[NH+](C)[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000906338429 1104129431 /nfs/dbraw/zinc/12/94/31/1104129431.db2.gz KTEXPUHRYVSJOE-HNNXBMFYSA-N 1 0 339.823 2.637 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC(F)(F)C1 ZINC001664023018 1104265323 /nfs/dbraw/zinc/26/53/23/1104265323.db2.gz BIEHINZMPPVNKC-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000906540154 1104294659 /nfs/dbraw/zinc/29/46/59/1104294659.db2.gz LNXCKFDNHYBVHI-NSHDSACASA-N 1 0 339.823 2.780 10 5 EFBERO CC(C)c1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001664226911 1104322033 /nfs/dbraw/zinc/32/20/33/1104322033.db2.gz HKUYDTIJWLZWHV-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO C[NH+](C)C[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906693742 1104456336 /nfs/dbraw/zinc/45/63/36/1104456336.db2.gz QPPNYMQSIQBNJE-GFCCVEGCSA-N 1 0 339.823 2.591 10 5 EFBERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000081599963 1104872027 /nfs/dbraw/zinc/87/20/27/1104872027.db2.gz IXVBPSQRCLLNBD-NSHDSACASA-N 1 0 333.413 2.818 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001667537052 1105158517 /nfs/dbraw/zinc/15/85/17/1105158517.db2.gz XFUMCTUQBUKDQS-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1C ZINC001668401473 1105292762 /nfs/dbraw/zinc/29/27/62/1105292762.db2.gz KISRRGQCFCJOON-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CCc1[nH]ccc1C(=O)N(CC)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668418910 1105295375 /nfs/dbraw/zinc/29/53/75/1105295375.db2.gz BGNHYMAYUWRBHW-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1F ZINC001669999845 1105567589 /nfs/dbraw/zinc/56/75/89/1105567589.db2.gz CIAYSNIRMUUHBK-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001670145360 1105587750 /nfs/dbraw/zinc/58/77/50/1105587750.db2.gz YWQMKBUNJFPKSO-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CC=CC1 ZINC001670232791 1105600716 /nfs/dbraw/zinc/60/07/16/1105600716.db2.gz BQDZWHOWDLVEQA-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO O=C(CCC1CC1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001673152468 1105978377 /nfs/dbraw/zinc/97/83/77/1105978377.db2.gz WPSHQAUSBNSCPQ-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000897787887 1106096441 /nfs/dbraw/zinc/09/64/41/1106096441.db2.gz WQVSYIGIUUGVEB-INIZCTEOSA-N 1 0 344.415 2.608 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2n1CCOC2 ZINC000898268427 1106297864 /nfs/dbraw/zinc/29/78/64/1106297864.db2.gz ZODKVSLVOMSXKX-QPEQYQDCSA-N 1 0 328.372 2.515 10 5 EFBERO CC(C)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001676717694 1106565473 /nfs/dbraw/zinc/56/54/73/1106565473.db2.gz OSBDVYUHDTXXKG-UHFFFAOYSA-N 1 0 348.447 2.861 10 5 EFBERO CCc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1 ZINC001677199220 1106675151 /nfs/dbraw/zinc/67/51/51/1106675151.db2.gz XQMQOOQRYDPGRU-QZTJIDSGSA-N 1 0 347.459 2.583 10 5 EFBERO O=[N+]([O-])c1ccc(CCc2nc(C3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000904073400 1107580143 /nfs/dbraw/zinc/58/01/43/1107580143.db2.gz NRGPFWGKLPMWCW-UHFFFAOYSA-N 1 0 336.779 2.883 10 5 EFBERO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926954198 1108257635 /nfs/dbraw/zinc/25/76/35/1108257635.db2.gz PRHPPJBHMBAJIA-CQSZACIVSA-N 1 0 328.434 2.706 10 5 EFBERO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926954197 1108257765 /nfs/dbraw/zinc/25/77/65/1108257765.db2.gz PRHPPJBHMBAJIA-AWEZNQCLSA-N 1 0 328.434 2.706 10 5 EFBERO CCO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC)C[NH+](C)C ZINC000926962024 1108301975 /nfs/dbraw/zinc/30/19/75/1108301975.db2.gz QHZWGEICMNGIKM-TZMCWYRMSA-N 1 0 341.477 2.934 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898833394 1109097479 /nfs/dbraw/zinc/09/74/79/1109097479.db2.gz SIOLBUMJCLJZJJ-ZIAGYGMSSA-N 1 0 349.456 2.919 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1C ZINC000898824995 1109099822 /nfs/dbraw/zinc/09/98/22/1109099822.db2.gz STEJWIXGEGNWPX-HUUCEWRRSA-N 1 0 331.416 2.814 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1C ZINC000898824996 1109099875 /nfs/dbraw/zinc/09/98/75/1109099875.db2.gz STEJWIXGEGNWPX-LSDHHAIUSA-N 1 0 331.416 2.814 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898832725 1109102355 /nfs/dbraw/zinc/10/23/55/1109102355.db2.gz YHDDSXOPZKPYQR-HOTGVXAUSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898832724 1109102361 /nfs/dbraw/zinc/10/23/61/1109102361.db2.gz YHDDSXOPZKPYQR-CVEARBPZSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000898847359 1109103582 /nfs/dbraw/zinc/10/35/82/1109103582.db2.gz ZVLSMIPPWFVOTG-KBPBESRZSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000898847365 1109103588 /nfs/dbraw/zinc/10/35/88/1109103588.db2.gz ZVLSMIPPWFVOTG-UONOGXRCSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000898841147 1109107513 /nfs/dbraw/zinc/10/75/13/1109107513.db2.gz LNEIGZIKQDMTRJ-CVEARBPZSA-N 1 0 342.399 2.679 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000898841150 1109107657 /nfs/dbraw/zinc/10/76/57/1109107657.db2.gz LNEIGZIKQDMTRJ-JKSUJKDBSA-N 1 0 342.399 2.679 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000899558807 1109390091 /nfs/dbraw/zinc/39/00/91/1109390091.db2.gz FGIYVIVTIJXHEW-UHFFFAOYSA-N 1 0 346.431 2.727 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000899564024 1109395477 /nfs/dbraw/zinc/39/54/77/1109395477.db2.gz NYGWIYRZNODXAA-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000899566235 1109396680 /nfs/dbraw/zinc/39/66/80/1109396680.db2.gz HKHCLDZPXWCAFR-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914443738 1111148123 /nfs/dbraw/zinc/14/81/23/1111148123.db2.gz NRUUDYGQWJGRPJ-OCCSQVGLSA-N 1 0 334.420 2.512 10 5 EFBERO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547962 1111547967 /nfs/dbraw/zinc/54/79/67/1111547967.db2.gz SCXDKLLOVYXOIZ-CABZTGNLSA-N 1 0 329.194 2.872 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000174963143 529403848 /nfs/dbraw/zinc/40/38/48/529403848.db2.gz AZWDLXKMQPSZLK-KHWCHDCRSA-N 1 0 329.400 2.693 10 5 EFBERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000177011960 231777551 /nfs/dbraw/zinc/77/75/51/231777551.db2.gz HGAAUZUNTCCWCB-KGLIPLIRSA-N 1 0 346.431 2.573 10 5 EFBERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563291 219137426 /nfs/dbraw/zinc/13/74/26/219137426.db2.gz UGPHREPTVROXNJ-OAHLLOKOSA-N 1 0 349.431 2.744 10 5 EFBERO C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000004213498 210144803 /nfs/dbraw/zinc/14/48/03/210144803.db2.gz NEFZSDAFBFJUNW-UYAOXDASSA-N 1 0 332.464 2.846 10 5 in-man EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(C)o1 ZINC000068366454 215301943 /nfs/dbraw/zinc/30/19/43/215301943.db2.gz VKIALCSTHZGNCO-UHFFFAOYSA-N 1 0 347.371 2.965 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]CC2CCOCC2)ccc1Br ZINC000104092241 219345474 /nfs/dbraw/zinc/34/54/74/219345474.db2.gz LDSVCSPVAAADQP-UHFFFAOYSA-N 1 0 329.194 2.874 10 5 EFBERO CN(c1ncnc(Nc2ccccc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040647961 213363918 /nfs/dbraw/zinc/36/39/18/213363918.db2.gz PVTKRHZXVWPGKW-UHFFFAOYSA-N 1 0 342.403 2.659 10 5 EFBERO CC[N+](CC)(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC ZINC000002040686 209812227 /nfs/dbraw/zinc/81/22/27/209812227.db2.gz YQRFAPMGXPGMSM-UHFFFAOYSA-N 1 0 340.440 2.746 10 5 EFBERO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCC(CO)CC3)c2)nc1 ZINC000069329206 215379724 /nfs/dbraw/zinc/37/97/24/215379724.db2.gz YEJJGEKBLVIGKO-UHFFFAOYSA-N 1 0 342.399 2.938 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247911288 283056033 /nfs/dbraw/zinc/05/60/33/283056033.db2.gz AFPQJYFBJQNJFW-NVXWUHKLSA-N 1 0 343.358 2.909 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331589 235012117 /nfs/dbraw/zinc/01/21/17/235012117.db2.gz KOXJYDXPOWAOCY-IBGZPJMESA-N 1 0 346.475 2.505 10 5 EFBERO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000184605965 235444931 /nfs/dbraw/zinc/44/49/31/235444931.db2.gz TWXMINPVBQLXDC-OAHLLOKOSA-N 1 0 332.404 2.995 10 5 EFBERO CCCN(CC[NH+](C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439158169 283231146 /nfs/dbraw/zinc/23/11/46/283231146.db2.gz OTBRIGIRYHELPG-UHFFFAOYSA-N 1 0 327.812 2.970 10 5 EFBERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042112 213131692 /nfs/dbraw/zinc/13/16/92/213131692.db2.gz FCHJYVRLKSYGKQ-CPCISQLKSA-N 1 0 330.182 2.669 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187936589 236348084 /nfs/dbraw/zinc/34/80/84/236348084.db2.gz UZYUJSDCKFANQA-UGSOOPFHSA-N 1 0 349.431 2.715 10 5 EFBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187990616 236373084 /nfs/dbraw/zinc/37/30/84/236373084.db2.gz KXBKPWCFGWDLQR-YVEFUNNKSA-N 1 0 346.387 2.628 10 5 EFBERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037386293 213143216 /nfs/dbraw/zinc/14/32/16/213143216.db2.gz RTRWZHYNIDRUSW-MRVPVSSYSA-N 1 0 330.182 2.684 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073818002 216427002 /nfs/dbraw/zinc/42/70/02/216427002.db2.gz GCFUNZBYPZQWFV-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246739301 243304624 /nfs/dbraw/zinc/30/46/24/243304624.db2.gz MROKTJXXKFFMSF-ZFWWWQNUSA-N 1 0 348.447 2.646 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418336196 245126045 /nfs/dbraw/zinc/12/60/45/245126045.db2.gz IBHHTMJMWGOQAF-AWEZNQCLSA-N 1 0 334.420 2.514 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000419302523 245374330 /nfs/dbraw/zinc/37/43/30/245374330.db2.gz PVTKCWFYOQSBJP-CQSZACIVSA-N 1 0 336.342 2.777 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096838 217362036 /nfs/dbraw/zinc/36/20/36/217362036.db2.gz XIYVBEZFRQNJGL-PBHICJAKSA-N 1 0 348.447 2.504 10 5 EFBERO CCOc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421683274 246062215 /nfs/dbraw/zinc/06/22/15/246062215.db2.gz DBFXEQVPWLNLJB-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO NC(=O)CC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421873786 246148548 /nfs/dbraw/zinc/14/85/48/246148548.db2.gz HRRSQCKXEJFONS-SFHVURJKSA-N 1 0 339.395 2.929 10 5 EFBERO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000422194310 246293858 /nfs/dbraw/zinc/29/38/58/246293858.db2.gz YQHMWZWZROQSBT-JKSUJKDBSA-N 1 0 334.420 2.782 10 5 EFBERO CN1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000424190839 246691658 /nfs/dbraw/zinc/69/16/58/246691658.db2.gz PCHNTUQBLJUFQH-ZDUSSCGKSA-N 1 0 343.383 2.813 10 5 EFBERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426006140 247225331 /nfs/dbraw/zinc/22/53/31/247225331.db2.gz ZUFBCOYYOLOARQ-AAEUAGOBSA-N 1 0 333.413 2.921 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430266714 247760212 /nfs/dbraw/zinc/76/02/12/247760212.db2.gz YRKCNEMVVCVJFT-LBPRGKRZSA-N 1 0 333.388 2.830 10 5 EFBERO Cc1cc(OCC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000430806430 247838009 /nfs/dbraw/zinc/83/80/09/247838009.db2.gz IWXJRARPDHFHHP-UHFFFAOYSA-N 1 0 349.431 2.519 10 5 EFBERO CC(C)C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000266100070 248096259 /nfs/dbraw/zinc/09/62/59/248096259.db2.gz KUBIPPQGQYQIMK-KRWDZBQOSA-N 1 0 333.432 2.764 10 5 EFBERO CCOC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000434610023 248169442 /nfs/dbraw/zinc/16/94/42/248169442.db2.gz UUSMALASONBGQA-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000266515849 248340623 /nfs/dbraw/zinc/34/06/23/248340623.db2.gz AZSBLVYDBJHZPL-MAZHCROVSA-N 1 0 348.403 2.527 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CCO)CCCCC1 ZINC000440913011 249977898 /nfs/dbraw/zinc/97/78/98/249977898.db2.gz XJJFBQULFFEMAT-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441279179 250013090 /nfs/dbraw/zinc/01/30/90/250013090.db2.gz QRWWSEWGNJIFPX-NOLJZWGESA-N 1 0 335.404 2.777 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441274771 250013709 /nfs/dbraw/zinc/01/37/09/250013709.db2.gz GALQIEGYWUZACB-LSDHHAIUSA-N 1 0 347.415 2.590 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441281245 250015789 /nfs/dbraw/zinc/01/57/89/250015789.db2.gz TWLWQCYEFOSCGR-QLFBSQMISA-N 1 0 347.415 2.670 10 5 EFBERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676597 251114255 /nfs/dbraw/zinc/11/42/55/251114255.db2.gz IJLPYZUWBSHBMR-DYVFJYSZSA-N 1 0 346.383 2.827 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449775739 251151433 /nfs/dbraw/zinc/15/14/33/251151433.db2.gz RHGDSAZUKWYTIR-GOEBONIOSA-N 1 0 330.388 2.647 10 5 EFBERO CCC[NH+]1CCC(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450295154 251332680 /nfs/dbraw/zinc/33/26/80/251332680.db2.gz VKNFMRBNUGWXHL-UHFFFAOYSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450317916 251344096 /nfs/dbraw/zinc/34/40/96/251344096.db2.gz URFAZAOECRUHEC-HNNXBMFYSA-N 1 0 333.436 2.786 10 5 EFBERO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450363091 251359667 /nfs/dbraw/zinc/35/96/67/251359667.db2.gz HXIJLUQAPFMOOD-ZDUSSCGKSA-N 1 0 329.404 2.639 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000451340611 251532472 /nfs/dbraw/zinc/53/24/72/251532472.db2.gz JXSVHHITHROLSI-KZNAEPCWSA-N 1 0 334.416 2.989 10 5 EFBERO CC(C)(C[NH+]1CCCC1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452081156 251777615 /nfs/dbraw/zinc/77/76/15/251777615.db2.gz DAHUGAUDLDQMHP-UHFFFAOYSA-N 1 0 345.403 2.609 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CF)CCOCC2)n1 ZINC000453306879 252031161 /nfs/dbraw/zinc/03/11/61/252031161.db2.gz JVBONAIURZNCEA-KBPBESRZSA-N 1 0 340.399 2.631 10 5 EFBERO COc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132976098 533025322 /nfs/dbraw/zinc/02/53/22/533025322.db2.gz LRMHANGQYOENNE-WBVHZDCISA-N 1 0 349.431 2.783 10 5 EFBERO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714962 533109534 /nfs/dbraw/zinc/10/95/34/533109534.db2.gz VNMJDJRPURCZPC-IVZWLZJFSA-N 1 0 329.784 2.588 10 5 EFBERO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000352852639 285163122 /nfs/dbraw/zinc/16/31/22/285163122.db2.gz RVQBWHYMMBAPEB-GOSISDBHSA-N 1 0 333.432 2.658 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153761923 224153998 /nfs/dbraw/zinc/15/39/98/224153998.db2.gz XASMFQJQUPVBOA-KDOFPFPSSA-N 1 0 343.427 2.992 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000175167296 285242123 /nfs/dbraw/zinc/24/21/23/285242123.db2.gz RURXFRIFLRSNKG-OAHLLOKOSA-N 1 0 348.447 2.654 10 5 EFBERO COc1ccc(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000132177699 533671648 /nfs/dbraw/zinc/67/16/48/533671648.db2.gz FFJRJUSCRYNNLT-GOSISDBHSA-N 1 0 328.368 2.527 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000341911507 141888097 /nfs/dbraw/zinc/88/80/97/141888097.db2.gz BYAMMZRJGFWRHC-UHFFFAOYSA-N 1 0 326.400 2.928 10 5 EFBERO Cn1c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000343528217 142013329 /nfs/dbraw/zinc/01/33/29/142013329.db2.gz CAVIXOFUHAKLBG-OAHLLOKOSA-N 1 0 348.447 2.662 10 5 EFBERO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cn2)C[C@H](C)O1 ZINC000344440994 142017358 /nfs/dbraw/zinc/01/73/58/142017358.db2.gz PKSYFLYSNZKEFS-RYUDHWBXSA-N 1 0 329.360 2.742 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCCC2)c2c(c1)COCO2 ZINC000344618592 142050640 /nfs/dbraw/zinc/05/06/40/142050640.db2.gz VWMMAJSVKHDCLJ-UHFFFAOYSA-N 1 0 336.388 2.636 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000347513894 142229172 /nfs/dbraw/zinc/22/91/72/142229172.db2.gz ZRWAUANZXSHRNN-UHFFFAOYSA-N 1 0 348.447 2.557 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccsc1 ZINC000349381684 142326715 /nfs/dbraw/zinc/32/67/15/142326715.db2.gz QLSKCZKOGPVAPK-IAQYHMDHSA-N 1 0 349.412 2.697 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000349974399 142385401 /nfs/dbraw/zinc/38/54/01/142385401.db2.gz WXDRMWRVAKSITM-INIZCTEOSA-N 1 0 331.416 2.738 10 5 EFBERO C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000342296575 145095791 /nfs/dbraw/zinc/09/57/91/145095791.db2.gz ROZSCBUXPNGZSC-CYBMUJFWSA-N 1 0 338.367 2.656 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000342785089 145192106 /nfs/dbraw/zinc/19/21/06/145192106.db2.gz XWQZIMQOLBYTPQ-CQSZACIVSA-N 1 0 337.395 2.815 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192648 145389368 /nfs/dbraw/zinc/38/93/68/145389368.db2.gz WZYFUOPFEABFQF-INIZCTEOSA-N 1 0 345.374 2.637 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000349293586 146075959 /nfs/dbraw/zinc/07/59/59/146075959.db2.gz FLDSAMADZHHJQR-SNVBAGLBSA-N 1 0 344.236 2.599 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000349293585 146076273 /nfs/dbraw/zinc/07/62/73/146076273.db2.gz FLDSAMADZHHJQR-JTQLQIEISA-N 1 0 344.236 2.599 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccsc1 ZINC000352031307 146270712 /nfs/dbraw/zinc/27/07/12/146270712.db2.gz DKLUULODCPERSW-OAHLLOKOSA-N 1 0 349.412 2.617 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000352033166 146272002 /nfs/dbraw/zinc/27/20/02/146272002.db2.gz QYUVOMPWDPNLIQ-HNNXBMFYSA-N 1 0 349.412 2.617 10 5 EFBERO COC[C@@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352784240 146320732 /nfs/dbraw/zinc/32/07/32/146320732.db2.gz RYVKVPAWDXGYEY-SJLPKXTDSA-N 1 0 330.384 2.671 10 5 EFBERO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000355651772 147024011 /nfs/dbraw/zinc/02/40/11/147024011.db2.gz OJWVYNWIYLUXDS-UHFFFAOYSA-N 1 0 342.399 2.629 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356340714 147217007 /nfs/dbraw/zinc/21/70/07/147217007.db2.gz PDFJKPYOFXNJEW-CZUORRHYSA-N 1 0 333.432 2.814 10 5 EFBERO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000358154535 147723226 /nfs/dbraw/zinc/72/32/26/147723226.db2.gz KBFXNHDCFOXYPH-VVBDHPJYSA-N 1 0 345.443 2.940 10 5 EFBERO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000359336002 148059446 /nfs/dbraw/zinc/05/94/46/148059446.db2.gz SPSZUTIQEOJLMF-UHFFFAOYSA-N 1 0 349.431 2.906 10 5 EFBERO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359409632 148077558 /nfs/dbraw/zinc/07/75/58/148077558.db2.gz MFAQQYIKNYGAIA-UHFFFAOYSA-N 1 0 345.346 2.608 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359454738 148089136 /nfs/dbraw/zinc/08/91/36/148089136.db2.gz DREVQZBTOYXKQK-MRXNPFEDSA-N 1 0 333.432 2.860 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000359849474 148207216 /nfs/dbraw/zinc/20/72/16/148207216.db2.gz IWBFHGSORNGNQK-CQSZACIVSA-N 1 0 333.344 2.689 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000360157501 148286993 /nfs/dbraw/zinc/28/69/93/148286993.db2.gz NZHFDVZUECJODR-MRXNPFEDSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cccc1[N+](=O)[O-] ZINC000364835715 149254793 /nfs/dbraw/zinc/25/47/93/149254793.db2.gz WYXUMLHSAMCCJX-UHFFFAOYSA-N 1 0 341.415 2.794 10 5 EFBERO Nc1nccc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000368046102 150018694 /nfs/dbraw/zinc/01/86/94/150018694.db2.gz XJKKPNNUIXAKHQ-YFCVBGDOSA-N 1 0 339.399 2.690 10 5 EFBERO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)c1O ZINC000368042008 150019065 /nfs/dbraw/zinc/01/90/65/150019065.db2.gz UVAKUOXUSPVDNT-UHFFFAOYSA-N 1 0 330.388 2.951 10 5 EFBERO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368679130 150180748 /nfs/dbraw/zinc/18/07/48/150180748.db2.gz WVAKYBATKKDSHJ-AWEZNQCLSA-N 1 0 335.404 2.672 10 5 EFBERO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368679131 150180800 /nfs/dbraw/zinc/18/08/00/150180800.db2.gz WVAKYBATKKDSHJ-CQSZACIVSA-N 1 0 335.404 2.672 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238474 150757626 /nfs/dbraw/zinc/75/76/26/150757626.db2.gz XCRGTSSLEYVEMH-DOTOQJQBSA-N 1 0 331.416 2.518 10 5 EFBERO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374012908 151268238 /nfs/dbraw/zinc/26/82/38/151268238.db2.gz GKXMGZHTYPRVPI-IIDMSEBBSA-N 1 0 334.416 2.796 10 5 EFBERO NC(=O)c1ccc(CN2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522307 151362185 /nfs/dbraw/zinc/36/21/85/151362185.db2.gz SHYHIZCNWGQOQO-SFHVURJKSA-N 1 0 343.358 2.764 10 5 EFBERO CC1=C(c2ccco2)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000374529450 151363459 /nfs/dbraw/zinc/36/34/59/151363459.db2.gz IXVUPSSIAOQYPD-UHFFFAOYSA-N 1 0 329.356 2.529 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170931534 286384350 /nfs/dbraw/zinc/38/43/50/286384350.db2.gz HBXWLLSXNZCSBH-AWEZNQCLSA-N 1 0 348.403 2.696 10 5 EFBERO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423987555 296918276 /nfs/dbraw/zinc/91/82/76/296918276.db2.gz WBGHIZSFLGNSOF-YMTOWFKASA-N 1 0 345.321 2.671 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000123147945 222223867 /nfs/dbraw/zinc/22/38/67/222223867.db2.gz KSDDYYABTCXLAK-YHWZYXNKSA-N 1 0 348.403 2.740 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123212897 222235411 /nfs/dbraw/zinc/23/54/11/222235411.db2.gz JEMRNDHXRKPEEH-HUUCEWRRSA-N 1 0 348.447 2.646 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123745774 222326516 /nfs/dbraw/zinc/32/65/16/222326516.db2.gz IEOQQJKOBVAWKI-GHMZBOCLSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124234158 222395738 /nfs/dbraw/zinc/39/57/38/222395738.db2.gz AKOGSLIZMIAQOT-ZYHUDNBSSA-N 1 0 325.796 2.803 10 5 EFBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194192605 265366193 /nfs/dbraw/zinc/36/61/93/265366193.db2.gz JZTQXZIUUZIQQW-UHFFFAOYSA-N 1 0 336.436 2.738 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000271698189 266043864 /nfs/dbraw/zinc/04/38/64/266043864.db2.gz GTXOGYKTVWEJCW-CHWSQXEVSA-N 1 0 334.347 2.824 10 5 EFBERO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000271860921 266081525 /nfs/dbraw/zinc/08/15/25/266081525.db2.gz ZNNMLUJTBFMOIN-RYUDHWBXSA-N 1 0 349.412 2.654 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000272158167 266171088 /nfs/dbraw/zinc/17/10/88/266171088.db2.gz DQWIPVKBHMVYGZ-FZMZJTMJSA-N 1 0 341.358 2.628 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000272158171 266171512 /nfs/dbraw/zinc/17/15/12/266171512.db2.gz DQWIPVKBHMVYGZ-RISCZKNCSA-N 1 0 341.358 2.628 10 5 EFBERO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272264370 266208872 /nfs/dbraw/zinc/20/88/72/266208872.db2.gz AEAJPDIALMRUGZ-XJKSGUPXSA-N 1 0 349.431 2.652 10 5 EFBERO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000272829151 266393581 /nfs/dbraw/zinc/39/35/81/266393581.db2.gz MORYDFSYAHJIJD-AGUYFDCRSA-N 1 0 348.403 2.740 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000276544497 267010131 /nfs/dbraw/zinc/01/01/31/267010131.db2.gz GSSQYELDRVQCFX-PWSUYJOCSA-N 1 0 337.807 2.912 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000276583709 267017936 /nfs/dbraw/zinc/01/79/36/267017936.db2.gz IMBPPZYXADWAAI-HNNXBMFYSA-N 1 0 338.429 2.681 10 5 EFBERO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276924168 267077893 /nfs/dbraw/zinc/07/78/93/267077893.db2.gz NAHRYYBOHQNYIC-TUAOUCFPSA-N 1 0 331.376 2.897 10 5 EFBERO C[C@@H]1C[N@H+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277579101 267202889 /nfs/dbraw/zinc/20/28/89/267202889.db2.gz BRWRZERBQVYHKS-LLVKDONJSA-N 1 0 328.800 2.556 10 5 EFBERO COC(=O)c1cc(NCC2CC[NH+](C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000277624904 267215348 /nfs/dbraw/zinc/21/53/48/267215348.db2.gz CNIFNAVYXDFYDA-UHFFFAOYSA-N 1 0 347.415 2.976 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000137016125 273019159 /nfs/dbraw/zinc/01/91/59/273019159.db2.gz NWEOYSZXZJXPEG-ZFWWWQNUSA-N 1 0 333.413 2.964 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277411792 273153548 /nfs/dbraw/zinc/15/35/48/273153548.db2.gz ZJOJHLCCVWRZPP-FIFPYPGSSA-N 1 0 331.416 2.941 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000279361784 273206874 /nfs/dbraw/zinc/20/68/74/273206874.db2.gz DYDZSPZEPGFPTH-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282667706 273597452 /nfs/dbraw/zinc/59/74/52/273597452.db2.gz JFZZPNZISNLMEZ-JVEBIPGUSA-N 1 0 346.427 2.765 10 5 EFBERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717629 274076336 /nfs/dbraw/zinc/07/63/36/274076336.db2.gz PJIVFLOVHCGARQ-LPEHRKFASA-N 1 0 329.784 2.588 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000286650086 274243440 /nfs/dbraw/zinc/24/34/40/274243440.db2.gz CGXXFMSVMXTVDX-CMPLNLGQSA-N 1 0 335.433 2.766 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289356 274397419 /nfs/dbraw/zinc/39/74/19/274397419.db2.gz OQEWZWMPCXTWOF-AWBCAMRRSA-N 1 0 343.427 2.916 10 5 EFBERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791801 274399493 /nfs/dbraw/zinc/39/94/93/274399493.db2.gz ZVLZQLCXCWDRRO-RDBSUJKOSA-N 1 0 331.416 2.850 10 5 EFBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288457773 274596947 /nfs/dbraw/zinc/59/69/47/274596947.db2.gz PSKRGGIQUGFBHZ-OCCSQVGLSA-N 1 0 342.399 2.775 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000359084969 274686449 /nfs/dbraw/zinc/68/64/49/274686449.db2.gz SBOQJFLMPPCGRE-HZPDHXFCSA-N 1 0 348.447 2.786 10 5 EFBERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000311766236 274712067 /nfs/dbraw/zinc/71/20/67/274712067.db2.gz IYGSSWMGFBXMLD-CYBMUJFWSA-N 1 0 328.210 2.841 10 5 EFBERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262504424 275816111 /nfs/dbraw/zinc/81/61/11/275816111.db2.gz MHGOSJFXCQRJDO-CYBMUJFWSA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288961 275868533 /nfs/dbraw/zinc/86/85/33/275868533.db2.gz NNTGGVGXPBBYMQ-WMZOPIPTSA-N 1 0 334.416 2.696 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080072120 276116564 /nfs/dbraw/zinc/11/65/64/276116564.db2.gz NTXSMSHOMKWOTQ-CYBMUJFWSA-N 1 0 336.436 2.859 10 5 EFBERO CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261566725 276135449 /nfs/dbraw/zinc/13/54/49/276135449.db2.gz HGNGBWWVPQVFQM-GFCCVEGCSA-N 1 0 328.210 2.921 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000342936587 276398860 /nfs/dbraw/zinc/39/88/60/276398860.db2.gz XTFWKUAYHYQFAE-DOMZBBRYSA-N 1 0 344.415 2.878 10 5 EFBERO C[NH2+]C[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834817 277283450 /nfs/dbraw/zinc/28/34/50/277283450.db2.gz MVHYPGMEIOIQRH-SNVBAGLBSA-N 1 0 328.210 2.793 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083691 277704502 /nfs/dbraw/zinc/70/45/02/277704502.db2.gz BSZUZNSVYJXNKV-HUUCEWRRSA-N 1 0 348.447 2.699 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000371085037 277900324 /nfs/dbraw/zinc/90/03/24/277900324.db2.gz DEJQALDPWHKYRV-INIZCTEOSA-N 1 0 327.384 2.880 10 5 EFBERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835983 278051658 /nfs/dbraw/zinc/05/16/58/278051658.db2.gz YJBXMZMBXRPTNX-OAHLLOKOSA-N 1 0 330.388 2.507 10 5 EFBERO C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000357867897 278281762 /nfs/dbraw/zinc/28/17/62/278281762.db2.gz XFGSFNWOBAWWRU-KGLIPLIRSA-N 1 0 348.447 2.511 10 5 EFBERO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](c1ccccc1)[NH+](C)C ZINC000357689510 278319255 /nfs/dbraw/zinc/31/92/55/278319255.db2.gz WSFHLRGWJIBIFW-SJKOYZFVSA-N 1 0 339.399 2.996 10 5 EFBERO CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261566726 278342229 /nfs/dbraw/zinc/34/22/29/278342229.db2.gz HGNGBWWVPQVFQM-LBPRGKRZSA-N 1 0 328.210 2.921 10 5 EFBERO CC[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187280987 288076259 /nfs/dbraw/zinc/07/62/59/288076259.db2.gz XJOCPLTZLNMBBE-WBMJQRKESA-N 1 0 340.445 2.849 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353051430 280605812 /nfs/dbraw/zinc/60/58/12/280605812.db2.gz XWSMVRUNGJSZJG-LBPRGKRZSA-N 1 0 340.445 2.774 10 5 EFBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026537 288292501 /nfs/dbraw/zinc/29/25/01/288292501.db2.gz YRRLMNGKEVYHGE-CHWSQXEVSA-N 1 0 342.399 2.775 10 5 EFBERO C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253188292 290590065 /nfs/dbraw/zinc/59/00/65/290590065.db2.gz JUFLPUKUJCGRGX-VHSXEESVSA-N 1 0 328.210 2.778 10 5 EFBERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130316737 293161345 /nfs/dbraw/zinc/16/13/45/293161345.db2.gz YCISQWRTCRLQON-QWHCGFSZSA-N 1 0 344.415 2.926 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000134070009 293276507 /nfs/dbraw/zinc/27/65/07/293276507.db2.gz CKTBOBXHRFYGKY-OAHLLOKOSA-N 1 0 346.431 2.753 10 5 EFBERO Cc1cccc(OC[C@@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153356954 293371833 /nfs/dbraw/zinc/37/18/33/293371833.db2.gz NNLOVFNZVKRVKW-INIZCTEOSA-N 1 0 342.395 2.701 10 5 EFBERO Cc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153622662 293384818 /nfs/dbraw/zinc/38/48/18/293384818.db2.gz GBOXKDPJKIBNCZ-KRWDZBQOSA-N 1 0 342.395 2.701 10 5 EFBERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000153890389 293399382 /nfs/dbraw/zinc/39/93/82/293399382.db2.gz WICFXUGWROHNAJ-HNNXBMFYSA-N 1 0 343.383 2.955 10 5 EFBERO CC(C)([NH2+]C[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292268682 294630270 /nfs/dbraw/zinc/63/02/70/294630270.db2.gz ZHHRPNBOBZWEIV-MRXNPFEDSA-N 1 0 344.411 2.997 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293661217 295022505 /nfs/dbraw/zinc/02/25/05/295022505.db2.gz IQNZSMLQOMRGFD-NSHDSACASA-N 1 0 346.387 2.961 10 5 EFBERO NC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000358154527 295035744 /nfs/dbraw/zinc/03/57/44/295035744.db2.gz KBFXNHDCFOXYPH-CPBWPMLKSA-N 1 0 345.443 2.940 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H](O)C3)s2)cc1 ZINC000294819872 295232714 /nfs/dbraw/zinc/23/27/14/295232714.db2.gz OTCDKVINEIXADH-AWEZNQCLSA-N 1 0 334.397 2.516 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294979406 295253738 /nfs/dbraw/zinc/25/37/38/295253738.db2.gz RUZQKXUNZQGMSF-UHFFFAOYSA-N 1 0 333.310 2.685 10 5 EFBERO CCn1ccnc1CNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000295031913 295259745 /nfs/dbraw/zinc/25/97/45/295259745.db2.gz RXAHCYUEOWXIRG-UHFFFAOYSA-N 1 0 338.751 2.863 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202518 295281683 /nfs/dbraw/zinc/28/16/83/295281683.db2.gz KYRAWFUZGHSREB-ZANVPECISA-N 1 0 341.795 2.732 10 5 EFBERO COC(=O)Cc1ccc(NCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000295625792 295351316 /nfs/dbraw/zinc/35/13/16/295351316.db2.gz ASJWNMPFCWAFJK-UHFFFAOYSA-N 1 0 329.356 2.668 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261874620 295394400 /nfs/dbraw/zinc/39/44/00/295394400.db2.gz XTHIOHXHHVTBRS-KRWDZBQOSA-N 1 0 327.384 2.750 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000178648522 310779296 /nfs/dbraw/zinc/77/92/96/310779296.db2.gz XWCPAZGDGLQYHI-UHFFFAOYSA-N 1 0 334.420 2.514 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000298625131 311008871 /nfs/dbraw/zinc/00/88/71/311008871.db2.gz ALLHMEOZINGHIZ-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000299723461 311114219 /nfs/dbraw/zinc/11/42/19/311114219.db2.gz SZCLDNXCEBLJBO-INIZCTEOSA-N 1 0 343.383 2.901 10 5 EFBERO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000301066976 311116864 /nfs/dbraw/zinc/11/68/64/311116864.db2.gz FFXGNAIXTGTGNY-SJKOYZFVSA-N 1 0 334.420 2.616 10 5 EFBERO Cc1nn(C)c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000301276951 311128503 /nfs/dbraw/zinc/12/85/03/311128503.db2.gz LGTFIMDIXYLPMJ-HNNXBMFYSA-N 1 0 335.452 2.729 10 5 EFBERO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cn1 ZINC000301291956 311129505 /nfs/dbraw/zinc/12/95/05/311129505.db2.gz PQEXHXOMVQQNTJ-INIZCTEOSA-N 1 0 340.387 2.591 10 5 EFBERO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301475587 311139378 /nfs/dbraw/zinc/13/93/78/311139378.db2.gz NTZJRCADURKRRQ-LLVKDONJSA-N 1 0 347.337 2.507 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301935324 311167433 /nfs/dbraw/zinc/16/74/33/311167433.db2.gz QXNRGFNKQASROC-CYBMUJFWSA-N 1 0 332.408 2.704 10 5 EFBERO CC1CCC([NH+]2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)CC1 ZINC000302017543 311172255 /nfs/dbraw/zinc/17/22/55/311172255.db2.gz CRGOZEIITFRWJL-UHFFFAOYSA-N 1 0 333.432 2.788 10 5 EFBERO CC1=CC[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000302183641 311183165 /nfs/dbraw/zinc/18/31/65/311183165.db2.gz ZXTQFEGOPTTXKH-UHFFFAOYSA-N 1 0 344.415 2.551 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000302786217 311201214 /nfs/dbraw/zinc/20/12/14/311201214.db2.gz VUYXAAWQPADWGG-LLVKDONJSA-N 1 0 328.210 2.888 10 5 EFBERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312697393 311230814 /nfs/dbraw/zinc/23/08/14/311230814.db2.gz NJCJXUPAVKHVEX-JBLDHEPKSA-N 1 0 340.221 2.839 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313377078 311232228 /nfs/dbraw/zinc/23/22/28/311232228.db2.gz MPFZVYMUKFFJRO-KRWDZBQOSA-N 1 0 325.368 2.690 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324249509 311241232 /nfs/dbraw/zinc/24/12/32/311241232.db2.gz ZSBUCWPVQWWEJR-LEJBJHNTSA-N 1 0 329.400 2.599 10 5 EFBERO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330832088 311337378 /nfs/dbraw/zinc/33/73/78/311337378.db2.gz HJAHQZLUAFKCFR-HOTGVXAUSA-N 1 0 349.431 2.652 10 5 EFBERO C[C@@H]1CC[NH2+]C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923513 312063279 /nfs/dbraw/zinc/06/32/79/312063279.db2.gz HJCZWNORTHGCHA-ABAIWWIYSA-N 1 0 332.429 2.806 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415484819 312144557 /nfs/dbraw/zinc/14/45/57/312144557.db2.gz OOZVZMINJQTWON-PBWFPOADSA-N 1 0 332.404 2.958 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)CCCC2 ZINC000417307848 312206432 /nfs/dbraw/zinc/20/64/32/312206432.db2.gz HMLWIVJGHHKUMZ-QZTJIDSGSA-N 1 0 334.416 2.741 10 5 EFBERO O=C1CCCN1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332407 312210142 /nfs/dbraw/zinc/21/01/42/312210142.db2.gz XFJQZBWJZKQJAX-KRWDZBQOSA-N 1 0 331.416 2.964 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417845440 312280430 /nfs/dbraw/zinc/28/04/30/312280430.db2.gz IKGPEZWVCRXPGI-WFASDCNBSA-N 1 0 332.404 2.500 10 5 EFBERO Cc1c(CNC(=O)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000418086238 312323068 /nfs/dbraw/zinc/32/30/68/312323068.db2.gz ZMCGUYIIEKTZDI-UHFFFAOYSA-N 1 0 334.420 2.754 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@](C)(O)C3)o2)c([N+](=O)[O-])c1 ZINC000418106992 312327201 /nfs/dbraw/zinc/32/72/01/312327201.db2.gz CXTUGAUSYRSFRW-OYHSWFHJSA-N 1 0 332.356 2.866 10 5 EFBERO Cc1sc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424040002 312501551 /nfs/dbraw/zinc/50/15/51/312501551.db2.gz PZQQYYLEJLLKFA-WCQYABFASA-N 1 0 349.387 2.671 10 5 EFBERO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453377987 312895592 /nfs/dbraw/zinc/89/55/92/312895592.db2.gz WCICFBZJHZMLMO-SOLBZPMBSA-N 1 0 339.395 2.928 10 5 EFBERO Cc1c(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000514922539 315576297 /nfs/dbraw/zinc/57/62/97/315576297.db2.gz SWYCSISJRGIIAQ-UHFFFAOYSA-N 1 0 332.404 2.901 10 5 EFBERO COC(=O)c1occc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521221966 316007981 /nfs/dbraw/zinc/00/79/81/316007981.db2.gz DIHCKGIENGYUMZ-UHFFFAOYSA-N 1 0 343.339 2.788 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000527076153 316330902 /nfs/dbraw/zinc/33/09/02/316330902.db2.gz HBIRUALEEKSDEK-GOSISDBHSA-N 1 0 340.383 2.978 10 5 EFBERO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531878328 317326563 /nfs/dbraw/zinc/32/65/63/317326563.db2.gz ZCVRBYPPXQYOCR-UHFFFAOYSA-N 1 0 342.399 2.762 10 5 EFBERO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531882498 317327318 /nfs/dbraw/zinc/32/73/18/317327318.db2.gz PJQDRDJIJDLIDW-UHFFFAOYSA-N 1 0 344.371 2.573 10 5 EFBERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136971 317360513 /nfs/dbraw/zinc/36/05/13/317360513.db2.gz BWMGROANQYOIPP-DZGCQCFKSA-N 1 0 340.383 2.555 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000549743565 318181279 /nfs/dbraw/zinc/18/12/79/318181279.db2.gz HYVCXOZKJPJMGF-GFCCVEGCSA-N 1 0 330.388 2.536 10 5 EFBERO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000555312820 318352770 /nfs/dbraw/zinc/35/27/70/318352770.db2.gz KHIDHGWQUKQHDW-OHRKKDJYSA-N 1 0 331.416 2.830 10 5 EFBERO CSc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000556856691 318415585 /nfs/dbraw/zinc/41/55/85/318415585.db2.gz AWZQGEYGBCKKQG-HNNXBMFYSA-N 1 0 348.424 2.846 10 5 EFBERO CC1(C(N)=O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000563811614 318818131 /nfs/dbraw/zinc/81/81/31/318818131.db2.gz HWTAZNVOILFEMI-UHFFFAOYSA-N 1 0 349.774 2.815 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1cccc(F)c1 ZINC000564856302 318901139 /nfs/dbraw/zinc/90/11/39/318901139.db2.gz KFMYVHPKUBPVCN-MRXNPFEDSA-N 1 0 348.374 2.696 10 5 EFBERO COC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH]1 ZINC000565797392 319003405 /nfs/dbraw/zinc/00/34/05/319003405.db2.gz RFLMSAUADSSXTF-UHFFFAOYSA-N 1 0 342.355 2.523 10 5 EFBERO CSc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000566102020 319032672 /nfs/dbraw/zinc/03/26/72/319032672.db2.gz GHWPNAYUUOWRDM-INIZCTEOSA-N 1 0 335.429 2.532 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000567179543 319146671 /nfs/dbraw/zinc/14/66/71/319146671.db2.gz JXGOBJWKCNGUBD-UHFFFAOYSA-N 1 0 349.431 2.542 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000567667700 319194367 /nfs/dbraw/zinc/19/43/67/319194367.db2.gz KZCAUFOXQWUKBK-LLVKDONJSA-N 1 0 343.305 2.580 10 5 EFBERO Cc1cnc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000567778960 319210985 /nfs/dbraw/zinc/21/09/85/319210985.db2.gz UDJAZOPXPMZYGM-UHFFFAOYSA-N 1 0 340.427 2.971 10 5 EFBERO O=c1c(F)cc([N+](=O)[O-])cn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000567860992 319219129 /nfs/dbraw/zinc/21/91/29/319219129.db2.gz FNIOIFKMARAWNU-UHFFFAOYSA-N 1 0 345.374 2.930 10 5 EFBERO CC[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568078144 319244708 /nfs/dbraw/zinc/24/47/08/319244708.db2.gz HOSYNFISHQLGOC-HDJSIYSDSA-N 1 0 340.445 2.927 10 5 EFBERO [NH3+]C[C@@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000568512061 319291428 /nfs/dbraw/zinc/29/14/28/319291428.db2.gz BNQZFSDAMKKHGA-GOSISDBHSA-N 1 0 327.384 2.532 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572869751 319712175 /nfs/dbraw/zinc/71/21/75/319712175.db2.gz NOUJCIFCPNEXHM-SUMWQHHRSA-N 1 0 349.456 2.678 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576758996 320046050 /nfs/dbraw/zinc/04/60/50/320046050.db2.gz NTQZAFVTSNEALY-RISCZKNCSA-N 1 0 334.376 2.532 10 5 EFBERO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000577064228 320074636 /nfs/dbraw/zinc/07/46/36/320074636.db2.gz ZARBIVVPSWRZTL-RDBSUJKOSA-N 1 0 348.447 2.687 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577540610 320120363 /nfs/dbraw/zinc/12/03/63/320120363.db2.gz FMMTWNBZJPVTKU-ZIAGYGMSSA-N 1 0 337.420 2.905 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000577590150 320124446 /nfs/dbraw/zinc/12/44/46/320124446.db2.gz HNYJLEPQWBFIJV-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000181664506 323244007 /nfs/dbraw/zinc/24/40/07/323244007.db2.gz YTQNLCCFZYCBQJ-INIZCTEOSA-N 1 0 346.383 2.960 10 5 EFBERO CCOc1cccc(N2CC[N@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000183148967 323319835 /nfs/dbraw/zinc/31/98/35/323319835.db2.gz DSASZIKKRPRCDY-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000183454123 323335776 /nfs/dbraw/zinc/33/57/76/323335776.db2.gz XLGJLJUIQKZWJX-UHFFFAOYSA-N 1 0 339.395 2.972 10 5 EFBERO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185039340 323381047 /nfs/dbraw/zinc/38/10/47/323381047.db2.gz ZIIFCPRMZHHWCY-JSGCOSHPSA-N 1 0 337.401 2.532 10 5 EFBERO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000578880802 323832912 /nfs/dbraw/zinc/83/29/12/323832912.db2.gz LEUUGYCUCUSFNL-BBRMVZONSA-N 1 0 348.399 2.847 10 5 EFBERO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000095967984 473233423 /nfs/dbraw/zinc/23/34/23/473233423.db2.gz MEYQASBIIKIQLO-CYBMUJFWSA-N 1 0 328.372 2.978 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161387057 473231512 /nfs/dbraw/zinc/23/15/12/473231512.db2.gz RZWFGHKSOVXXJF-YGRLFVJLSA-N 1 0 325.796 2.707 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184930944 473277392 /nfs/dbraw/zinc/27/73/92/473277392.db2.gz MWTIYTWNCAEGOX-OUKQBFOZSA-N 1 0 329.400 2.741 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177026427 473289267 /nfs/dbraw/zinc/28/92/67/473289267.db2.gz MXZMOLXGHQMAPE-CQSZACIVSA-N 1 0 337.445 2.630 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292890 /nfs/dbraw/zinc/29/28/90/473292890.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 1 0 340.427 2.944 10 5 EFBERO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1Cc1ccccc1 ZINC000162337812 473327604 /nfs/dbraw/zinc/32/76/04/473327604.db2.gz RQFZVUWDAVTPRL-GOSISDBHSA-N 1 0 343.383 2.972 10 5 EFBERO COCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC[N@@H+]1C ZINC000150288992 473337199 /nfs/dbraw/zinc/33/71/99/473337199.db2.gz GBSDNXISILQDKD-OAHLLOKOSA-N 1 0 337.420 2.539 10 5 EFBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177313617 473353540 /nfs/dbraw/zinc/35/35/40/473353540.db2.gz GFBJPBFGFGUZDN-VBQJREDUSA-N 1 0 329.400 2.541 10 5 EFBERO C[N@@H+]1CC[C@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601594496 478896832 /nfs/dbraw/zinc/89/68/32/478896832.db2.gz DILSVGZEJGFDLW-SFHVURJKSA-N 1 0 343.427 2.571 10 5 EFBERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601600200 478901181 /nfs/dbraw/zinc/90/11/81/478901181.db2.gz CLHFXYBDHSVIEY-CZUORRHYSA-N 1 0 331.416 2.568 10 5 EFBERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601600198 478901315 /nfs/dbraw/zinc/90/13/15/478901315.db2.gz CLHFXYBDHSVIEY-BBRMVZONSA-N 1 0 331.416 2.568 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599936468 479474837 /nfs/dbraw/zinc/47/48/37/479474837.db2.gz WGAGDZZBNULKFH-HYVNUMGLSA-N 1 0 346.431 2.624 10 5 EFBERO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000619902839 479917847 /nfs/dbraw/zinc/91/78/47/479917847.db2.gz PPRZXGRAWOFHQY-AWEZNQCLSA-N 1 0 349.434 2.895 10 5 EFBERO N=C(NC(N)=[NH2+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005785466 471521256 /nfs/dbraw/zinc/52/12/56/471521256.db2.gz YJLCCMGIGCFTKQ-UHFFFAOYSA-N 1 0 330.373 2.576 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4c(N)cccc4c(c32)C1=O ZINC000027558219 472183151 /nfs/dbraw/zinc/18/31/51/472183151.db2.gz NFCSJHIEEPOZIN-UHFFFAOYSA-N 1 0 333.391 2.733 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056347439 472309285 /nfs/dbraw/zinc/30/92/85/472309285.db2.gz BEPUZIYWAWSLEA-INIZCTEOSA-N 1 0 342.399 2.889 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076480401 472353430 /nfs/dbraw/zinc/35/34/30/472353430.db2.gz MLWSSFKLCKHDCB-CABCVRRESA-N 1 0 349.431 2.552 10 5 EFBERO O=[N+]([O-])c1cnccc1Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000069531252 472365300 /nfs/dbraw/zinc/36/53/00/472365300.db2.gz CLKNABCUNFCFMN-UHFFFAOYSA-N 1 0 328.372 2.690 10 5 EFBERO Cc1sc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000045189015 472380209 /nfs/dbraw/zinc/38/02/09/472380209.db2.gz XYXRKCRDTHKJAE-UHFFFAOYSA-N 1 0 325.434 2.959 10 5 EFBERO O=C1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000076760320 472400325 /nfs/dbraw/zinc/40/03/25/472400325.db2.gz OLKNLDNYWLNXIC-JTQLQIEISA-N 1 0 349.774 2.876 10 5 EFBERO O=[N+]([O-])c1ccc2nc(NCCCC[NH+]3CCOCC3)ccc2c1 ZINC000076801553 472407329 /nfs/dbraw/zinc/40/73/29/472407329.db2.gz AXGDURKEBHDLRR-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000128176506 472412398 /nfs/dbraw/zinc/41/23/98/472412398.db2.gz CKTKCNDWPQJCQC-HNNXBMFYSA-N 1 0 345.399 2.617 10 5 EFBERO CC(C)C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000032760670 472464829 /nfs/dbraw/zinc/46/48/29/472464829.db2.gz FGBWAHUPNNUVPG-CQSZACIVSA-N 1 0 334.420 2.616 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000128603581 472474954 /nfs/dbraw/zinc/47/49/54/472474954.db2.gz ULXOBNQEGRNHBK-PBHICJAKSA-N 1 0 348.447 2.509 10 5 EFBERO Cc1c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cccc1[N+](=O)[O-] ZINC000058246106 472526249 /nfs/dbraw/zinc/52/62/49/472526249.db2.gz VCCDDDNVFFXZDT-UHFFFAOYSA-N 1 0 341.415 2.821 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155603934 472578340 /nfs/dbraw/zinc/57/83/40/472578340.db2.gz MAQXTOOWVNHUTI-LSDHHAIUSA-N 1 0 347.415 2.550 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155604059 472578451 /nfs/dbraw/zinc/57/84/51/472578451.db2.gz MAQXTOOWVNHUTI-GJZGRUSLSA-N 1 0 347.415 2.550 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130133276 472586732 /nfs/dbraw/zinc/58/67/32/472586732.db2.gz PHZFCKUKUKVICO-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO CC[C@H](NC(=O)NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090073720 472591827 /nfs/dbraw/zinc/59/18/27/472591827.db2.gz PKTUPTQWRJSKRD-INIZCTEOSA-N 1 0 334.420 2.831 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3)CCCCC2)c1 ZINC000130259430 472593455 /nfs/dbraw/zinc/59/34/55/472593455.db2.gz XJUPGRLFMJETQC-QGZVFWFLSA-N 1 0 344.415 2.601 10 5 EFBERO Cc1cc2c(cc1C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538463 472631625 /nfs/dbraw/zinc/63/16/25/472631625.db2.gz GNUMOLFTTRWEJJ-MRXNPFEDSA-N 1 0 330.388 2.912 10 5 EFBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccco2)C1 ZINC000090551350 472634039 /nfs/dbraw/zinc/63/40/39/472634039.db2.gz CZUOWZAKXKBDAW-ZFWWWQNUSA-N 1 0 331.372 2.823 10 5 EFBERO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000120193950 472647385 /nfs/dbraw/zinc/64/73/85/472647385.db2.gz MGPQWGVIOMLAHU-INIZCTEOSA-N 1 0 341.415 2.794 10 5 EFBERO C[C@H]1C[NH+](Cc2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)C[C@H](C)O1 ZINC000077983150 472648445 /nfs/dbraw/zinc/64/84/45/472648445.db2.gz CYCZCNFLLULBAW-STQMWFEESA-N 1 0 345.403 2.681 10 5 EFBERO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072290437 472651854 /nfs/dbraw/zinc/65/18/54/472651854.db2.gz JCMRYPNNSPUUME-GFCCVEGCSA-N 1 0 325.434 2.997 10 5 EFBERO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072290436 472651868 /nfs/dbraw/zinc/65/18/68/472651868.db2.gz JCMRYPNNSPUUME-LBPRGKRZSA-N 1 0 325.434 2.997 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047142660 472659653 /nfs/dbraw/zinc/65/96/53/472659653.db2.gz VHHLVHYVIZWAOX-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO Cc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000120290987 472663468 /nfs/dbraw/zinc/66/34/68/472663468.db2.gz FEFDLNJKQDQAME-UHFFFAOYSA-N 1 0 327.388 2.770 10 5 EFBERO COC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104689628 472684280 /nfs/dbraw/zinc/68/42/80/472684280.db2.gz BZYOAMOHFKXXHY-ZDUSSCGKSA-N 1 0 336.388 2.767 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132246851 472723501 /nfs/dbraw/zinc/72/35/01/472723501.db2.gz DWOJPCDDRGTOJT-CQSZACIVSA-N 1 0 345.374 2.637 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000120841653 472755772 /nfs/dbraw/zinc/75/57/72/472755772.db2.gz FJQBUTPRRSAUIN-GXTWGEPZSA-N 1 0 332.404 2.912 10 5 EFBERO CC[N@H+](C)Cc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000091457227 472768236 /nfs/dbraw/zinc/76/82/36/472768236.db2.gz FLKHPPYCQMTVKI-UHFFFAOYSA-N 1 0 340.387 2.701 10 5 EFBERO COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000047968195 472790643 /nfs/dbraw/zinc/79/06/43/472790643.db2.gz MCCKKBWHQDHONU-UHFFFAOYSA-N 1 0 333.432 2.911 10 5 EFBERO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000106867296 472901523 /nfs/dbraw/zinc/90/15/23/472901523.db2.gz OVSLFCVMDDNPKL-QGZVFWFLSA-N 1 0 349.431 2.839 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000121841457 472928303 /nfs/dbraw/zinc/92/83/03/472928303.db2.gz FOMZRPVFUXFQFC-OAHLLOKOSA-N 1 0 335.404 2.733 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649481 472951444 /nfs/dbraw/zinc/95/14/44/472951444.db2.gz CNOWAWUBLHPFLY-GFCCVEGCSA-N 1 0 345.346 2.719 10 5 EFBERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079983747 472952837 /nfs/dbraw/zinc/95/28/37/472952837.db2.gz CWXCNFMGEFDQFZ-KGLIPLIRSA-N 1 0 334.420 2.829 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107522849 472961809 /nfs/dbraw/zinc/96/18/09/472961809.db2.gz QNDCCYCFWUAIDT-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529556 472962220 /nfs/dbraw/zinc/96/22/20/472962220.db2.gz DBPFZHUFFJUENE-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1ccc([C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744445 472964486 /nfs/dbraw/zinc/96/44/86/472964486.db2.gz JOJPUTWVMCTEEG-KRWDZBQOSA-N 1 0 332.356 2.949 10 5 EFBERO O=C1CCCN1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159475836 473030718 /nfs/dbraw/zinc/03/07/18/473030718.db2.gz XHSHEVIPSKDTLX-INIZCTEOSA-N 1 0 331.416 2.518 10 5 EFBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566375 473040335 /nfs/dbraw/zinc/04/03/35/473040335.db2.gz DNJJNYNDOGQESE-OCCSQVGLSA-N 1 0 343.383 2.941 10 5 EFBERO CCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066159295 473052104 /nfs/dbraw/zinc/05/21/04/473052104.db2.gz UKNPNCJCCRDPLG-OAHLLOKOSA-N 1 0 332.404 2.859 10 5 EFBERO Cn1cc(C[N@H+](C)CC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093284265 473074973 /nfs/dbraw/zinc/07/49/73/473074973.db2.gz DKXMSQPYAMPINK-UHFFFAOYSA-N 1 0 344.415 2.854 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755760 473117158 /nfs/dbraw/zinc/11/71/58/473117158.db2.gz RHWKAYTUDLTUOA-LPHOPBHVSA-N 1 0 346.475 2.758 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000160528270 473137804 /nfs/dbraw/zinc/13/78/04/473137804.db2.gz ZDXVDGUUQOTUCB-OAHLLOKOSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110351024 473153819 /nfs/dbraw/zinc/15/38/19/473153819.db2.gz IHXKUXBBPLTWCH-CYBMUJFWSA-N 1 0 342.399 2.549 10 5 EFBERO C[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000066808829 473156600 /nfs/dbraw/zinc/15/66/00/473156600.db2.gz BOECLHQTFJVYNH-OAHLLOKOSA-N 1 0 341.415 2.612 10 5 EFBERO C[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000066808827 473156877 /nfs/dbraw/zinc/15/68/77/473156877.db2.gz BOECLHQTFJVYNH-HNNXBMFYSA-N 1 0 341.415 2.612 10 5 EFBERO CCC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300368 473439702 /nfs/dbraw/zinc/43/97/02/473439702.db2.gz YPHNVVDQEQZIOB-MSOLQXFVSA-N 1 0 335.448 2.872 10 5 EFBERO CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185510576 473446070 /nfs/dbraw/zinc/44/60/70/473446070.db2.gz DMEZXURKIXKEAS-MRXNPFEDSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1c(Br)c(N2CCC[C@@H](C)[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165825027 473517060 /nfs/dbraw/zinc/51/70/60/473517060.db2.gz QKKKWVIWLKDAIV-SCZZXKLOSA-N 1 0 343.225 2.624 10 5 EFBERO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000126869811 473554680 /nfs/dbraw/zinc/55/46/80/473554680.db2.gz BAOFBYCPAQKXTL-LLVKDONJSA-N 1 0 349.293 2.562 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152404482 473557699 /nfs/dbraw/zinc/55/76/99/473557699.db2.gz HDVQXQLNMGYCQV-AWEZNQCLSA-N 1 0 327.388 2.901 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000115415940 473565711 /nfs/dbraw/zinc/56/57/11/473565711.db2.gz CUAJXCKIZPTIQJ-UHFFFAOYSA-N 1 0 349.337 2.865 10 5 EFBERO CC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000127207596 473587507 /nfs/dbraw/zinc/58/75/07/473587507.db2.gz HIXDTIUUNHOEPB-ONGXEEELSA-N 1 0 328.210 2.921 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000127609476 473631854 /nfs/dbraw/zinc/63/18/54/473631854.db2.gz DJZDNRCMEPHKIX-CQSZACIVSA-N 1 0 332.404 2.914 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186320355 473647930 /nfs/dbraw/zinc/64/79/30/473647930.db2.gz BPUPVJQIXTUFLL-IAGOWNOFSA-N 1 0 334.416 2.701 10 5 EFBERO Cn1cc([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116318947 473651413 /nfs/dbraw/zinc/65/14/13/473651413.db2.gz BPEQBJKGBHHZOM-CQSZACIVSA-N 1 0 330.388 2.587 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127806549 473652496 /nfs/dbraw/zinc/65/24/96/473652496.db2.gz OKTQLJFPSBTLRE-IRXDYDNUSA-N 1 0 330.388 2.944 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154071687 473664699 /nfs/dbraw/zinc/66/46/99/473664699.db2.gz DZXBSQVOVDWEEG-SFHVURJKSA-N 1 0 342.395 2.701 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172703442 473673697 /nfs/dbraw/zinc/67/36/97/473673697.db2.gz JNBMDCFJIQHAIF-KRWDZBQOSA-N 1 0 327.384 2.556 10 5 EFBERO COc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192566308 473693000 /nfs/dbraw/zinc/69/30/00/473693000.db2.gz XNGSUDNRSQKTHE-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO Cn1nccc1[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000281398216 473706507 /nfs/dbraw/zinc/70/65/07/473706507.db2.gz NIADPTOOPCFCFO-HNNXBMFYSA-N 1 0 330.388 2.934 10 5 EFBERO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000287610043 473712432 /nfs/dbraw/zinc/71/24/32/473712432.db2.gz GACXKZHOZJIELC-CYBMUJFWSA-N 1 0 348.403 2.514 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000172994706 473722094 /nfs/dbraw/zinc/72/20/94/473722094.db2.gz BLSXADLUBUUCRG-KRWDZBQOSA-N 1 0 331.416 2.614 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193316124 473780599 /nfs/dbraw/zinc/78/05/99/473780599.db2.gz PZSBVLPFZJYBEC-RYUDHWBXSA-N 1 0 348.321 2.609 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000274420648 473815938 /nfs/dbraw/zinc/81/59/38/473815938.db2.gz DGVCORWRHNZHQW-LBPRGKRZSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369311 473816970 /nfs/dbraw/zinc/81/69/70/473816970.db2.gz GNJFJOQTHWPMBO-TZMCWYRMSA-N 1 0 329.404 2.975 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180197342 473825575 /nfs/dbraw/zinc/82/55/75/473825575.db2.gz AFPQJYFBJQNJFW-WBVHZDCISA-N 1 0 343.358 2.909 10 5 EFBERO CC[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187280968 473851471 /nfs/dbraw/zinc/85/14/71/473851471.db2.gz XJOCPLTZLNMBBE-BLLLJJGKSA-N 1 0 340.445 2.849 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414990 473871920 /nfs/dbraw/zinc/87/19/20/473871920.db2.gz ORCUYEBEJQHFHU-RHSMWYFYSA-N 1 0 330.384 2.994 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000246676644 473932440 /nfs/dbraw/zinc/93/24/40/473932440.db2.gz ZBSBQTYCSPIYBE-YPMHNXCESA-N 1 0 337.807 2.947 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188050870 473964717 /nfs/dbraw/zinc/96/47/17/473964717.db2.gz MDKBUNZNPKIHSQ-NSHDSACASA-N 1 0 325.434 2.777 10 5 EFBERO COc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000188060666 473967729 /nfs/dbraw/zinc/96/77/29/473967729.db2.gz KEHKAMLYVUJTIL-GJZGRUSLSA-N 1 0 348.424 2.873 10 5 EFBERO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270072222 473978481 /nfs/dbraw/zinc/97/84/81/473978481.db2.gz ZMDDXPNMTAGZOH-IJEWVQPXSA-N 1 0 329.404 2.576 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000195337572 474062222 /nfs/dbraw/zinc/06/22/22/474062222.db2.gz YULUFGHVZAKXDH-UHFFFAOYSA-N 1 0 328.372 2.507 10 5 EFBERO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275131618 474080095 /nfs/dbraw/zinc/08/00/95/474080095.db2.gz BYGSJUKXMDZJSW-RKDXNWHRSA-N 1 0 337.767 2.649 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247181417 474081775 /nfs/dbraw/zinc/08/17/75/474081775.db2.gz VXWUQHHVZUKSJB-YCPHGPKFSA-N 1 0 346.431 2.842 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1CC ZINC000174737823 474088068 /nfs/dbraw/zinc/08/80/68/474088068.db2.gz FCQNFDWCBBIULR-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1 ZINC000282506670 474092135 /nfs/dbraw/zinc/09/21/35/474092135.db2.gz RNDBFUGRHLHDOD-LJQANCHMSA-N 1 0 344.411 2.647 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247426485 474144464 /nfs/dbraw/zinc/14/44/64/474144464.db2.gz OIPFCRZJCWKAKF-HOCLYGCPSA-N 1 0 348.447 2.586 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(=O)N(CC)CC ZINC000175133289 474146670 /nfs/dbraw/zinc/14/66/70/474146670.db2.gz AYRYAPUHKXTQJI-INIZCTEOSA-N 1 0 349.431 2.826 10 5 EFBERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000220912608 474157389 /nfs/dbraw/zinc/15/73/89/474157389.db2.gz MKPCYUMNEHNKPH-IAGOWNOFSA-N 1 0 340.379 2.983 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000270529886 474157927 /nfs/dbraw/zinc/15/79/27/474157927.db2.gz NZGYTQORVLAKSG-PBHICJAKSA-N 1 0 348.447 2.509 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000188827949 474208737 /nfs/dbraw/zinc/20/87/37/474208737.db2.gz IDBAHEQAIHNDGW-OAHLLOKOSA-N 1 0 332.404 2.995 10 5 EFBERO C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413785 474260719 /nfs/dbraw/zinc/26/07/19/474260719.db2.gz AMHQBLUIMOGWTJ-YVEFUNNKSA-N 1 0 337.395 2.985 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000289429323 474267202 /nfs/dbraw/zinc/26/72/02/474267202.db2.gz RTANJHUCJATXRW-IPMKNSEASA-N 1 0 341.411 2.663 10 5 EFBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@H]21 ZINC000248169029 474276450 /nfs/dbraw/zinc/27/64/50/474276450.db2.gz UJJMLNCEDCJCSC-SJKOYZFVSA-N 1 0 342.399 2.632 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000275731989 474297488 /nfs/dbraw/zinc/29/74/88/474297488.db2.gz AMCSMHUTRLEUJI-GFCCVEGCSA-N 1 0 325.796 2.723 10 5 EFBERO Cc1cc(N2CCC([NH2+]CC=Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000275789888 474318549 /nfs/dbraw/zinc/31/85/49/474318549.db2.gz CDHMRWGVUBOJKC-GQCTYLIASA-N 1 0 341.415 2.898 10 5 EFBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175851258 474325003 /nfs/dbraw/zinc/32/50/03/474325003.db2.gz SIOLIAMQTCEXGZ-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175851272 474325031 /nfs/dbraw/zinc/32/50/31/474325031.db2.gz SIOLIAMQTCEXGZ-KRWDZBQOSA-N 1 0 334.372 2.732 10 5 EFBERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216861 474352286 /nfs/dbraw/zinc/35/22/86/474352286.db2.gz GHTAURKRZXZRRI-CABZTGNLSA-N 1 0 346.330 2.862 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248563569 474358734 /nfs/dbraw/zinc/35/87/34/474358734.db2.gz KCLYPPAFFGTAII-BFQNTYOBSA-N 1 0 337.395 2.682 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000183267647 474362378 /nfs/dbraw/zinc/36/23/78/474362378.db2.gz DKAIZDRWUGSCAA-INIZCTEOSA-N 1 0 331.416 2.641 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000183296800 474369474 /nfs/dbraw/zinc/36/94/74/474369474.db2.gz YSAUODZAOUGXEV-IBGZPJMESA-N 1 0 344.411 2.913 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248611242 474375792 /nfs/dbraw/zinc/37/57/92/474375792.db2.gz XQUQRSMVSKSSMT-OCCSQVGLSA-N 1 0 337.395 2.780 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000265942498 474394937 /nfs/dbraw/zinc/39/49/37/474394937.db2.gz IFTFJNGYYRAHQC-DGCLKSJQSA-N 1 0 331.372 2.896 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237440555 474405190 /nfs/dbraw/zinc/40/51/90/474405190.db2.gz DIVJNMOIECMUFD-HOCLYGCPSA-N 1 0 332.356 2.866 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000271175012 474421740 /nfs/dbraw/zinc/42/17/40/474421740.db2.gz UUVJXBDQKKKZNQ-CHWSQXEVSA-N 1 0 337.445 2.676 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248842227 474452391 /nfs/dbraw/zinc/45/23/91/474452391.db2.gz NWHZSQCRJQTYFP-KYJSFNMBSA-N 1 0 345.443 2.859 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000608900145 480103094 /nfs/dbraw/zinc/10/30/94/480103094.db2.gz JFAZQZJYCXLRBL-UHFFFAOYSA-N 1 0 327.275 2.567 10 5 EFBERO COc1cc(CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184246691 474491006 /nfs/dbraw/zinc/49/10/06/474491006.db2.gz LUNXPUDERHVUNC-UHFFFAOYSA-N 1 0 337.395 2.803 10 5 EFBERO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266912362 474527605 /nfs/dbraw/zinc/52/76/05/474527605.db2.gz WTIHDGSERIPCEZ-CABCVRRESA-N 1 0 330.384 2.994 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000184703146 474589843 /nfs/dbraw/zinc/58/98/43/474589843.db2.gz ZSEXJELWLUHSCV-JKSUJKDBSA-N 1 0 333.432 2.622 10 5 EFBERO COc1ccc(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000249557025 474592379 /nfs/dbraw/zinc/59/23/79/474592379.db2.gz KEHKAMLYVUJTIL-LSDHHAIUSA-N 1 0 348.424 2.873 10 5 EFBERO CCn1nccc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284213712 474596590 /nfs/dbraw/zinc/59/65/90/474596590.db2.gz AKVNPXIZTWBEPU-UHFFFAOYSA-N 1 0 344.415 2.897 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000291618722 474632623 /nfs/dbraw/zinc/63/26/23/474632623.db2.gz TWGVAFGIGLJWTL-GFCCVEGCSA-N 1 0 332.404 2.926 10 5 EFBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284447774 474642133 /nfs/dbraw/zinc/64/21/33/474642133.db2.gz CHFSTOPUNJVKLJ-ZIAGYGMSSA-N 1 0 345.321 2.523 10 5 EFBERO CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251668003 474642536 /nfs/dbraw/zinc/64/25/36/474642536.db2.gz HIXDTIUUNHOEPB-MWLCHTKSSA-N 1 0 328.210 2.921 10 5 EFBERO Cc1cc(NCCOc2ncccc2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340791890 474672323 /nfs/dbraw/zinc/67/23/23/474672323.db2.gz HKYIGRYVTLPJMU-UHFFFAOYSA-N 1 0 342.330 2.898 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278521873 474679587 /nfs/dbraw/zinc/67/95/87/474679587.db2.gz CQWRCOLEGKIWOX-MRXNPFEDSA-N 1 0 343.387 2.792 10 5 EFBERO Cc1nc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252512294 474690635 /nfs/dbraw/zinc/69/06/35/474690635.db2.gz OWSOHGRCOGBKKM-VHDGCEQUSA-N 1 0 334.420 2.600 10 5 EFBERO CC(C)Oc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000340843229 474710017 /nfs/dbraw/zinc/71/00/17/474710017.db2.gz BDBFWLNLUQAGLI-QGZVFWFLSA-N 1 0 344.415 2.914 10 5 EFBERO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000291894133 474737562 /nfs/dbraw/zinc/73/75/62/474737562.db2.gz QVVSWZNIBFNSOD-CYBMUJFWSA-N 1 0 339.367 2.562 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000278658526 474760133 /nfs/dbraw/zinc/76/01/33/474760133.db2.gz NYSUUZHSRFZUCZ-ZWNOBZJWSA-N 1 0 337.807 2.769 10 5 EFBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000284804368 474779578 /nfs/dbraw/zinc/77/95/78/474779578.db2.gz OUQSDCVLYWGDGU-HNNXBMFYSA-N 1 0 349.431 2.874 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000255073480 474797801 /nfs/dbraw/zinc/79/78/01/474797801.db2.gz HOKCJENTJKRIPC-IJVDHGTGSA-N 1 0 327.388 2.612 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000344849531 474800007 /nfs/dbraw/zinc/80/00/07/474800007.db2.gz DNNZTDAVLWGXRU-CYBMUJFWSA-N 1 0 344.371 2.853 10 5 EFBERO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ncc1[N+](=O)[O-] ZINC000284878635 474810206 /nfs/dbraw/zinc/81/02/06/474810206.db2.gz NDODOQQHZCIRMD-SUMWQHHRSA-N 1 0 344.419 2.527 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337259012 474835266 /nfs/dbraw/zinc/83/52/66/474835266.db2.gz VQQXLAACACZGLZ-SFHVURJKSA-N 1 0 347.415 2.816 10 5 EFBERO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000284992117 474856154 /nfs/dbraw/zinc/85/61/54/474856154.db2.gz SVELDADWHWNNRB-SUMWQHHRSA-N 1 0 344.419 2.527 10 5 EFBERO CCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000339037645 474863893 /nfs/dbraw/zinc/86/38/93/474863893.db2.gz OSZGQLIZMZHPCQ-OAHLLOKOSA-N 1 0 327.388 2.634 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000285065623 474880398 /nfs/dbraw/zinc/88/03/98/474880398.db2.gz OWIUTEKMDQPQKW-ZIAGYGMSSA-N 1 0 345.321 2.523 10 5 EFBERO COc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341035220 474901085 /nfs/dbraw/zinc/90/10/85/474901085.db2.gz IKGQHQNATQWCRO-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO Cc1sc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341038660 474903481 /nfs/dbraw/zinc/90/34/81/474903481.db2.gz MMQBUYMXTINJDJ-GHMZBOCLSA-N 1 0 325.434 2.957 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000273476749 474918391 /nfs/dbraw/zinc/91/83/91/474918391.db2.gz SXLIPHQSNWLQDS-UHFFFAOYSA-N 1 0 348.424 2.939 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056093 474923144 /nfs/dbraw/zinc/92/31/44/474923144.db2.gz IHCRABVGFXFBIT-GASCZTMLSA-N 1 0 348.447 2.776 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292255294 474924722 /nfs/dbraw/zinc/92/47/22/474924722.db2.gz FANVLLZBKGPTQB-ZDUSSCGKSA-N 1 0 331.416 2.850 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293331105 474931156 /nfs/dbraw/zinc/93/11/56/474931156.db2.gz RPVLHWLNOOVMPV-JKSUJKDBSA-N 1 0 339.823 2.543 10 5 EFBERO COC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000326202689 475000568 /nfs/dbraw/zinc/00/05/68/475000568.db2.gz VXQMVYKZXYDDSX-GFCCVEGCSA-N 1 0 329.356 2.841 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261876146 475096709 /nfs/dbraw/zinc/09/67/09/475096709.db2.gz XZSWJFZVAGEEID-QGZVFWFLSA-N 1 0 345.374 2.889 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)CN(CC(F)F)CC2CCC2)c1 ZINC000341748776 475270908 /nfs/dbraw/zinc/27/09/08/475270908.db2.gz BQWFHFPDKAMUGW-CQSZACIVSA-N 1 0 344.358 2.702 10 5 EFBERO CNc1c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361212375 475274611 /nfs/dbraw/zinc/27/46/11/475274611.db2.gz MVYHPZMTRJQSKD-BETUJISGSA-N 1 0 334.420 2.629 10 5 EFBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cccc21 ZINC000345575086 475277067 /nfs/dbraw/zinc/27/70/67/475277067.db2.gz PKQAWDFKXOMGGJ-AWEZNQCLSA-N 1 0 330.344 2.560 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339596441 475330546 /nfs/dbraw/zinc/33/05/46/475330546.db2.gz UEGWQNYQIJFWNQ-OIISXLGYSA-N 1 0 330.388 2.608 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000354710149 475351621 /nfs/dbraw/zinc/35/16/21/475351621.db2.gz QQOXNMJLBXYXHH-UHFFFAOYSA-N 1 0 348.447 2.882 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2COCCO2)c2ccccc2)c1 ZINC000352567489 475417914 /nfs/dbraw/zinc/41/79/14/475417914.db2.gz LITOSQMGHRPUMF-QZTJIDSGSA-N 1 0 328.368 2.689 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000358152665 475444832 /nfs/dbraw/zinc/44/48/32/475444832.db2.gz HIEABEKZALQUFD-LKSINWNRSA-N 1 0 335.404 2.688 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000342024816 475513990 /nfs/dbraw/zinc/51/39/90/475513990.db2.gz ULGQHZVABYIHPN-KDOFPFPSSA-N 1 0 347.415 2.733 10 5 EFBERO COc1c[nH+]ccc1N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529051 475521175 /nfs/dbraw/zinc/52/11/75/475521175.db2.gz BYTPULHRQZHTBH-AWEZNQCLSA-N 1 0 342.399 2.882 10 5 EFBERO COc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000342040519 475525834 /nfs/dbraw/zinc/52/58/34/475525834.db2.gz XCAHSUAXDIXQFS-CYBMUJFWSA-N 1 0 326.368 2.870 10 5 EFBERO COc1c[nH+]ccc1N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532764 475525912 /nfs/dbraw/zinc/52/59/12/475525912.db2.gz YXWOMXRTAWPYHF-AWEZNQCLSA-N 1 0 342.399 2.882 10 5 EFBERO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352770100 475603983 /nfs/dbraw/zinc/60/39/83/475603983.db2.gz QMBHELULBSACNT-MRXNPFEDSA-N 1 0 346.383 2.825 10 5 EFBERO CC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000339990912 475666967 /nfs/dbraw/zinc/66/69/67/475666967.db2.gz CMYDICDYWCKNEI-GJZGRUSLSA-N 1 0 337.445 2.599 10 5 EFBERO Cc1cc(NCC[C@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000358521517 475742058 /nfs/dbraw/zinc/74/20/58/475742058.db2.gz PGWWQNIVUGUPEJ-ZDUSSCGKSA-N 1 0 329.278 2.599 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087685 475748206 /nfs/dbraw/zinc/74/82/06/475748206.db2.gz BRLCGZNTXRPMFT-GASCZTMLSA-N 1 0 348.447 2.699 10 5 EFBERO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000346672439 475752287 /nfs/dbraw/zinc/75/22/87/475752287.db2.gz QIEFVXSNWXTMBE-UHFFFAOYSA-N 1 0 336.436 2.565 10 5 EFBERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457536 475765124 /nfs/dbraw/zinc/76/51/24/475765124.db2.gz CCBXPMSVNNMFJX-DVOMOZLQSA-N 1 0 334.420 2.780 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000346696461 475771090 /nfs/dbraw/zinc/77/10/90/475771090.db2.gz QDERGUOMCDOHCK-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297482953 475776613 /nfs/dbraw/zinc/77/66/13/475776613.db2.gz AQJNKRFRLZUKCC-DVOMOZLQSA-N 1 0 334.420 2.780 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000340375661 475991783 /nfs/dbraw/zinc/99/17/83/475991783.db2.gz SZFKNBXNEYRSBI-SJORKVTESA-N 1 0 343.358 2.909 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358909518 476031284 /nfs/dbraw/zinc/03/12/84/476031284.db2.gz BQWSFWBMKPOFAN-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO NC(=O)C1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000340464324 476051035 /nfs/dbraw/zinc/05/10/35/476051035.db2.gz SSKHYMYIWKJKPB-UHFFFAOYSA-N 1 0 343.383 2.989 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000358980509 476085986 /nfs/dbraw/zinc/08/59/86/476085986.db2.gz MARBSIVUVUPFBG-UHFFFAOYSA-N 1 0 345.346 2.656 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340660235 476186310 /nfs/dbraw/zinc/18/63/10/476186310.db2.gz IVMAFYNPKOVCAQ-KBPBESRZSA-N 1 0 333.432 2.814 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340660237 476186658 /nfs/dbraw/zinc/18/66/58/476186658.db2.gz IVMAFYNPKOVCAQ-KGLIPLIRSA-N 1 0 333.432 2.814 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000359099892 476187838 /nfs/dbraw/zinc/18/78/38/476187838.db2.gz OXXUMOYAQMEJID-GJZGRUSLSA-N 1 0 336.436 2.908 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)o2)cc1 ZINC000362447382 476257474 /nfs/dbraw/zinc/25/74/74/476257474.db2.gz KQQUOHPUKCVXDX-DZGCQCFKSA-N 1 0 344.371 2.646 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324663 476278452 /nfs/dbraw/zinc/27/84/52/476278452.db2.gz UYLRAFSCYPBYOD-NWDGAFQWSA-N 1 0 334.372 2.970 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1cccs1 ZINC000357218583 476294152 /nfs/dbraw/zinc/29/41/52/476294152.db2.gz HYTIKJNHGLZUHT-NHYWBVRUSA-N 1 0 348.428 2.797 10 5 EFBERO CC[NH+](CC)CCO[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097773 476423337 /nfs/dbraw/zinc/42/33/37/476423337.db2.gz SMEILDZANOIGBJ-CQSZACIVSA-N 1 0 327.450 2.589 10 5 EFBERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000363681618 476492726 /nfs/dbraw/zinc/49/27/26/476492726.db2.gz CONJGMSQFXSSED-JKSUJKDBSA-N 1 0 331.416 2.992 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000363681617 476493074 /nfs/dbraw/zinc/49/30/74/476493074.db2.gz CONJGMSQFXSSED-HZPDHXFCSA-N 1 0 331.416 2.992 10 5 EFBERO C[N@@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000360992152 476529423 /nfs/dbraw/zinc/52/94/23/476529423.db2.gz ZYEYNCHKBUAXQS-WBMJQRKESA-N 1 0 332.429 2.968 10 5 EFBERO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361003114 476536832 /nfs/dbraw/zinc/53/68/32/476536832.db2.gz RQKHRWZWBXQOJV-GOEBONIOSA-N 1 0 326.400 2.877 10 5 EFBERO C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361003116 476537397 /nfs/dbraw/zinc/53/73/97/476537397.db2.gz RQKHRWZWBXQOJV-ZBFHGGJFSA-N 1 0 326.400 2.877 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)cc1[N+](=O)[O-] ZINC000354372370 476618557 /nfs/dbraw/zinc/61/85/57/476618557.db2.gz NBRMKWJPSYTGCJ-OAHLLOKOSA-N 1 0 349.431 2.988 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000363348484 476661711 /nfs/dbraw/zinc/66/17/11/476661711.db2.gz HVFAFTPZTRORLG-CQSZACIVSA-N 1 0 343.383 2.924 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)o2)cc1 ZINC000451898316 476707771 /nfs/dbraw/zinc/70/77/71/476707771.db2.gz FNIMEVNFLSOFKA-QGZVFWFLSA-N 1 0 344.371 2.647 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902677 476712357 /nfs/dbraw/zinc/71/23/57/476712357.db2.gz OQUONBZRLKFSOE-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370325979 476757672 /nfs/dbraw/zinc/75/76/72/476757672.db2.gz NMWQENNGDAHOEC-FZDCUMRKSA-N 1 0 329.400 2.741 10 5 EFBERO CC1=C[C@@H](C)C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430284551 476803714 /nfs/dbraw/zinc/80/37/14/476803714.db2.gz MPJFDLHHMDBZBW-GFCCVEGCSA-N 1 0 331.372 2.791 10 5 EFBERO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000452079015 476809366 /nfs/dbraw/zinc/80/93/66/476809366.db2.gz HEPHJPJUFBXRRY-AWEZNQCLSA-N 1 0 335.404 2.590 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000391066703 476810441 /nfs/dbraw/zinc/81/04/41/476810441.db2.gz NPQZRZSEUWICSS-QGZVFWFLSA-N 1 0 342.399 2.693 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446081655 476823924 /nfs/dbraw/zinc/82/39/24/476823924.db2.gz WESDADANFMYGLJ-BFHYXJOUSA-N 1 0 335.404 2.730 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375431397 476835261 /nfs/dbraw/zinc/83/52/61/476835261.db2.gz NOFFLPSAFJNFTC-ZDUSSCGKSA-N 1 0 344.371 2.724 10 5 EFBERO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370525664 476854476 /nfs/dbraw/zinc/85/44/76/476854476.db2.gz ZQOFRBOCELUTLM-OAHLLOKOSA-N 1 0 346.431 2.574 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457130133 476893058 /nfs/dbraw/zinc/89/30/58/476893058.db2.gz TVRCVAGYEXOEDT-ZDUSSCGKSA-N 1 0 330.388 2.631 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CCCF)CC1 ZINC000402694592 476907126 /nfs/dbraw/zinc/90/71/26/476907126.db2.gz HHDNUZPMSDIDHL-UHFFFAOYSA-N 1 0 346.200 2.839 10 5 EFBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415434767 476927104 /nfs/dbraw/zinc/92/71/04/476927104.db2.gz HYIUDSONOSPLNC-KCJUWKMLSA-N 1 0 346.309 2.733 10 5 EFBERO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415664345 476951515 /nfs/dbraw/zinc/95/15/15/476951515.db2.gz SZFFAIKPGIDLKX-SECBINFHSA-N 1 0 345.197 2.525 10 5 EFBERO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423238525 476971992 /nfs/dbraw/zinc/97/19/92/476971992.db2.gz VLAHGDMCUUEJLD-CYBMUJFWSA-N 1 0 327.388 2.573 10 5 EFBERO Cc1c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cccc1[N+](=O)[O-] ZINC000423237444 476972038 /nfs/dbraw/zinc/97/20/38/476972038.db2.gz TXIISTCYPMWHDD-CQSZACIVSA-N 1 0 341.415 2.881 10 5 EFBERO O=C1[C@@H]([NH2+][C@@H]2CC3CCC2CC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431077565 476973123 /nfs/dbraw/zinc/97/31/23/476973123.db2.gz PFLGSSUJSNXNBQ-CXMPNGEBSA-N 1 0 329.400 2.868 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000375781497 477002116 /nfs/dbraw/zinc/00/21/16/477002116.db2.gz XRRCFPPKQWVSTF-SKDZVZGDSA-N 1 0 344.415 2.977 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2O)n1 ZINC000447528857 477004837 /nfs/dbraw/zinc/00/48/37/477004837.db2.gz KKJMOSXKVQNIRK-HUUCEWRRSA-N 1 0 330.388 2.813 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000375978754 477112424 /nfs/dbraw/zinc/11/24/24/477112424.db2.gz CZHSEIDOAMIRBF-CYBMUJFWSA-N 1 0 331.397 2.582 10 5 EFBERO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411415902 477227297 /nfs/dbraw/zinc/22/72/97/477227297.db2.gz NXMFNCJVCXWMRQ-CQSZACIVSA-N 1 0 349.431 2.986 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423947796 477229392 /nfs/dbraw/zinc/22/93/92/477229392.db2.gz KYWSPEQKACKLSB-UHFFFAOYSA-N 1 0 346.412 2.700 10 5 EFBERO CCc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423956103 477232574 /nfs/dbraw/zinc/23/25/74/477232574.db2.gz AGWBCOOCXQGPKP-CVEARBPZSA-N 1 0 331.416 2.761 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423986582 477247000 /nfs/dbraw/zinc/24/70/00/477247000.db2.gz UHBOHYMRVAPYFD-XHBSWPGZSA-N 1 0 337.445 2.519 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000453639715 477259705 /nfs/dbraw/zinc/25/97/05/477259705.db2.gz WKEHFQGTOCAGEO-OAHLLOKOSA-N 1 0 341.411 2.740 10 5 EFBERO CCOc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424228860 477336852 /nfs/dbraw/zinc/33/68/52/477336852.db2.gz XTWXWUUNQUDRBW-ZDUSSCGKSA-N 1 0 347.415 2.598 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966978 477400552 /nfs/dbraw/zinc/40/05/52/477400552.db2.gz CMTYDXSXVSHTCE-VHSSKADRSA-N 1 0 339.395 2.857 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376654652 477445929 /nfs/dbraw/zinc/44/59/29/477445929.db2.gz YMUPTGBFTIIADU-UHFFFAOYSA-N 1 0 345.359 2.845 10 5 EFBERO C[C@@]1(F)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451112269 477831439 /nfs/dbraw/zinc/83/14/39/477831439.db2.gz HXRPPEIDJXDMQO-MRXNPFEDSA-N 1 0 337.351 2.717 10 5 EFBERO C[NH+](C)CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000460178487 477854164 /nfs/dbraw/zinc/85/41/64/477854164.db2.gz AHCODNLMICOXGE-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000420990450 477882285 /nfs/dbraw/zinc/88/22/85/477882285.db2.gz FSHXNELPJMMMHT-AWEZNQCLSA-N 1 0 347.415 2.611 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000451229772 477890520 /nfs/dbraw/zinc/89/05/20/477890520.db2.gz AKDQUYBHJIADKK-CABCVRRESA-N 1 0 336.388 2.815 10 5 EFBERO O=C(CC[NH2+]CCCc1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000516175732 477902042 /nfs/dbraw/zinc/90/20/42/477902042.db2.gz IKNDDYBXIAOMHL-UHFFFAOYSA-N 1 0 334.401 2.602 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000428501275 477915108 /nfs/dbraw/zinc/91/51/08/477915108.db2.gz UXUDLORLUDWDAD-NSHDSACASA-N 1 0 343.374 2.652 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000428538942 477923834 /nfs/dbraw/zinc/92/38/34/477923834.db2.gz RNXFQXIUWVHBKX-HNNXBMFYSA-N 1 0 334.372 2.569 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000439121036 477932035 /nfs/dbraw/zinc/93/20/35/477932035.db2.gz UJABUVLJGYINFZ-CYBMUJFWSA-N 1 0 332.404 2.648 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344128 477966086 /nfs/dbraw/zinc/96/60/86/477966086.db2.gz PETXMVBOGHUZNN-UXLLHSPISA-N 1 0 334.416 2.989 10 5 EFBERO C[C@]12CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000428727704 477969174 /nfs/dbraw/zinc/96/91/74/477969174.db2.gz CUOFECJEKQDGIU-HIFRSBDPSA-N 1 0 339.342 2.901 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376140 477982604 /nfs/dbraw/zinc/98/26/04/477982604.db2.gz VJXAOBGEAGPBTI-DZASIIFFSA-N 1 0 341.411 2.986 10 5 EFBERO COc1ccc(-c2ccc(C[NH+]3CC(CCO)C3)o2)c([N+](=O)[O-])c1 ZINC000459586197 477990693 /nfs/dbraw/zinc/99/06/93/477990693.db2.gz CIBVWPPJRKPEKJ-UHFFFAOYSA-N 1 0 332.356 2.678 10 5 EFBERO Cc1cnc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000516865005 477999656 /nfs/dbraw/zinc/99/96/56/477999656.db2.gz XNEKVNAHIVBZHD-UHFFFAOYSA-N 1 0 329.404 2.683 10 5 EFBERO Cn1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439774385 478027337 /nfs/dbraw/zinc/02/73/37/478027337.db2.gz KZFNQHCRHHXBOS-JCNLHEQBSA-N 1 0 344.415 2.731 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000439873271 478041365 /nfs/dbraw/zinc/04/13/65/478041365.db2.gz TUAKISGEJAUXIR-GFCCVEGCSA-N 1 0 338.408 2.845 10 5 EFBERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421393243 478070006 /nfs/dbraw/zinc/07/00/06/478070006.db2.gz VZKBHZCLMZKYSK-JGGQBBKZSA-N 1 0 335.404 2.859 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000459799803 478101161 /nfs/dbraw/zinc/10/11/61/478101161.db2.gz YEEGAGWRLGVTCE-DOTOQJQBSA-N 1 0 334.416 2.976 10 5 EFBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451587828 478109374 /nfs/dbraw/zinc/10/93/74/478109374.db2.gz CUZJUNOZXGRONN-YGRLFVJLSA-N 1 0 328.315 2.694 10 5 EFBERO CN(C)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000561763827 478202584 /nfs/dbraw/zinc/20/25/84/478202584.db2.gz WCLUCXIAAGPABW-UHFFFAOYSA-N 1 0 345.428 2.931 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590661491 478280023 /nfs/dbraw/zinc/28/00/23/478280023.db2.gz ZFQWDHZEMXJWAE-JKSUJKDBSA-N 1 0 348.399 2.771 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600227337 478296624 /nfs/dbraw/zinc/29/66/24/478296624.db2.gz AOOPBEFITUUMPD-CQSZACIVSA-N 1 0 335.379 2.871 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000600228377 478298000 /nfs/dbraw/zinc/29/80/00/478298000.db2.gz KOLRIUFVCHJATN-CQSZACIVSA-N 1 0 347.415 2.740 10 5 EFBERO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600228490 478298430 /nfs/dbraw/zinc/29/84/30/478298430.db2.gz BTWKMUBMRRXTSG-KRWDZBQOSA-N 1 0 345.443 2.969 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600470732 478381868 /nfs/dbraw/zinc/38/18/68/478381868.db2.gz IFBXVHVEKBLVJK-OAHLLOKOSA-N 1 0 347.415 2.740 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600468223 478383270 /nfs/dbraw/zinc/38/32/70/478383270.db2.gz DZQKNBVDDQXEKE-AWEZNQCLSA-N 1 0 347.415 2.740 10 5 EFBERO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474527 478384464 /nfs/dbraw/zinc/38/44/64/478384464.db2.gz XWRQZZPLFLCOKX-DOMZBBRYSA-N 1 0 349.406 2.971 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600474067 478385082 /nfs/dbraw/zinc/38/50/82/478385082.db2.gz WNQDKRZLCCZJCK-CQSZACIVSA-N 1 0 342.399 2.823 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451589 478396102 /nfs/dbraw/zinc/39/61/02/478396102.db2.gz NKNMPSSCDJPTCK-NSHDSACASA-N 1 0 333.310 2.512 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000570634502 478403538 /nfs/dbraw/zinc/40/35/38/478403538.db2.gz ZEUBARFUSNMMAP-GOSISDBHSA-N 1 0 339.395 2.910 10 5 EFBERO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510066 478417914 /nfs/dbraw/zinc/41/79/14/478417914.db2.gz OEQQMAYMLIKQNR-WVZRYYJFSA-N 1 0 333.432 2.669 10 5 EFBERO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594515293 478421985 /nfs/dbraw/zinc/42/19/85/478421985.db2.gz MOBBJMZZTIWSEK-CYBMUJFWSA-N 1 0 338.404 2.907 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000594571833 478444291 /nfs/dbraw/zinc/44/42/91/478444291.db2.gz ACEMHYLGFNZFME-HIFRSBDPSA-N 1 0 337.445 2.619 10 5 EFBERO [NH3+]C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000594581069 478447119 /nfs/dbraw/zinc/44/71/19/478447119.db2.gz JXFMDBINGPUGIZ-LLVKDONJSA-N 1 0 346.334 2.698 10 5 EFBERO [NH3+]C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000594583292 478449578 /nfs/dbraw/zinc/44/95/78/478449578.db2.gz JIYGQSQUJHLQOG-CYBMUJFWSA-N 1 0 329.278 2.834 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000597668596 478455600 /nfs/dbraw/zinc/45/56/00/478455600.db2.gz XRVGVSVNJAPHOO-UHFFFAOYSA-N 1 0 345.443 2.817 10 5 EFBERO [NH3+]C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C(F)(F)F ZINC000600738755 478498120 /nfs/dbraw/zinc/49/81/20/478498120.db2.gz MLQFDUUBRFILRH-JSGCOSHPSA-N 1 0 331.338 2.739 10 5 EFBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594714030 478509400 /nfs/dbraw/zinc/50/94/00/478509400.db2.gz WGBKMYJTRYZTHW-BLLLJJGKSA-N 1 0 325.368 2.833 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC=CCC2)cc1 ZINC000600764209 478509418 /nfs/dbraw/zinc/50/94/18/478509418.db2.gz ZCUWPVHRUCIFKM-AWEZNQCLSA-N 1 0 338.429 2.705 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597858187 478543876 /nfs/dbraw/zinc/54/38/76/478543876.db2.gz LSGBOYJOXGEPSD-CQSZACIVSA-N 1 0 349.431 2.661 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597859593 478546192 /nfs/dbraw/zinc/54/61/92/478546192.db2.gz VTCPARYRHOHNGZ-GFCCVEGCSA-N 1 0 325.796 2.851 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000591529807 478573965 /nfs/dbraw/zinc/57/39/65/478573965.db2.gz KGOMRIRGRFRKGF-GOOCMWNKSA-N 1 0 331.416 2.957 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000571382093 478582528 /nfs/dbraw/zinc/58/25/28/478582528.db2.gz HNZVQZKSFDYQOS-KEYYUXOJSA-N 1 0 333.432 2.887 10 5 EFBERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000600961439 478586638 /nfs/dbraw/zinc/58/66/38/478586638.db2.gz QYBPMJSAMQAOPL-UWVGGRQHSA-N 1 0 328.210 2.697 10 5 EFBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939934 478595238 /nfs/dbraw/zinc/59/52/38/478595238.db2.gz VVMNQLCQKVGRMV-OXHMUOHRSA-N 1 0 346.305 2.901 10 5 EFBERO COc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000594949638 478601177 /nfs/dbraw/zinc/60/11/77/478601177.db2.gz FTQHNLQSRVJIKC-UHFFFAOYSA-N 1 0 343.383 2.529 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000594948916 478601349 /nfs/dbraw/zinc/60/13/49/478601349.db2.gz BMNZGRASWNZKAB-KBXCAEBGSA-N 1 0 346.383 2.996 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000594954076 478603003 /nfs/dbraw/zinc/60/30/03/478603003.db2.gz XJMXVESGWRGSRU-KDOFPFPSSA-N 1 0 346.383 2.996 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000594952711 478603548 /nfs/dbraw/zinc/60/35/48/478603548.db2.gz REIUBEHMNJRHMG-ACJLOTCBSA-N 1 0 346.383 2.996 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594967808 478610585 /nfs/dbraw/zinc/61/05/85/478610585.db2.gz VQYXATILYSWWIG-ZDUSSCGKSA-N 1 0 337.420 2.574 10 5 EFBERO COc1cc(C[NH2+]CCc2cnccc2C)c([N+](=O)[O-])cc1OC ZINC000594969092 478611306 /nfs/dbraw/zinc/61/13/06/478611306.db2.gz WGCNKNDWXZIHOA-UHFFFAOYSA-N 1 0 331.372 2.648 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000594993291 478621119 /nfs/dbraw/zinc/62/11/19/478621119.db2.gz NBZVGYCUFZORPJ-LCYFTJDESA-N 1 0 338.429 2.555 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039447 478626744 /nfs/dbraw/zinc/62/67/44/478626744.db2.gz KBRAXVCPIDIGRU-OAHLLOKOSA-N 1 0 349.431 2.938 10 5 EFBERO CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039460 478627702 /nfs/dbraw/zinc/62/77/02/478627702.db2.gz KHYXSMDAMFWTJB-INIZCTEOSA-N 1 0 347.415 2.500 10 5 EFBERO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000598040685 478628676 /nfs/dbraw/zinc/62/86/76/478628676.db2.gz QIWGGBPDUYSRRD-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040697 478629372 /nfs/dbraw/zinc/62/93/72/478629372.db2.gz QNJYABGMCVPHJL-ZDUSSCGKSA-N 1 0 325.796 2.805 10 5 EFBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595038082 478638012 /nfs/dbraw/zinc/63/80/12/478638012.db2.gz GIXCHHFGPWBYOW-UPJWGTAASA-N 1 0 336.388 2.986 10 5 EFBERO COC1CC(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595048741 478641761 /nfs/dbraw/zinc/64/17/61/478641761.db2.gz MFSDMKXBIBVMFJ-FUJMWEONSA-N 1 0 335.404 2.717 10 5 EFBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000582625043 478645159 /nfs/dbraw/zinc/64/51/59/478645159.db2.gz IFCROIQTERKSNG-OAHLLOKOSA-N 1 0 349.431 2.615 10 5 EFBERO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595060244 478645132 /nfs/dbraw/zinc/64/51/32/478645132.db2.gz LHPCIYBHBZWMOY-LZLYRXPVSA-N 1 0 334.416 2.557 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058957 478645466 /nfs/dbraw/zinc/64/54/66/478645466.db2.gz CZHSJIDLNPSCKP-QEORTHHSSA-N 1 0 338.404 2.696 10 5 EFBERO CC(C)[NH+]1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601101516 478656653 /nfs/dbraw/zinc/65/66/53/478656653.db2.gz YEOGRNQDJGPFNL-UHFFFAOYSA-N 1 0 335.330 2.632 10 5 EFBERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595094070 478657782 /nfs/dbraw/zinc/65/77/82/478657782.db2.gz BHEJIZWGVQZQBJ-BMGDILEWSA-N 1 0 345.443 2.889 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595092620 478658076 /nfs/dbraw/zinc/65/80/76/478658076.db2.gz MCMATUCFWOZKHQ-QWFMPGPPSA-N 1 0 344.415 2.558 10 5 EFBERO C[C@@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104065 478658262 /nfs/dbraw/zinc/65/82/62/478658262.db2.gz ODAQLNPOQDMDFB-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100739 478660457 /nfs/dbraw/zinc/66/04/57/478660457.db2.gz IPJOICCGDPZYIE-CABCVRRESA-N 1 0 346.431 2.844 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100740 478660607 /nfs/dbraw/zinc/66/06/07/478660607.db2.gz IPJOICCGDPZYIE-GJZGRUSLSA-N 1 0 346.431 2.844 10 5 EFBERO C[NH+](C)CCOc1ccccc1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601108301 478660953 /nfs/dbraw/zinc/66/09/53/478660953.db2.gz HGHCAXUJCTUZJL-UHFFFAOYSA-N 1 0 334.351 2.681 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595104294 478662145 /nfs/dbraw/zinc/66/21/45/478662145.db2.gz OPKJBGBJPVBKCB-HOCLYGCPSA-N 1 0 346.431 2.844 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000595105280 478662249 /nfs/dbraw/zinc/66/22/49/478662249.db2.gz SIFXMJOJWXHSAD-GFCCVEGCSA-N 1 0 326.418 2.521 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595105369 478662318 /nfs/dbraw/zinc/66/23/18/478662318.db2.gz FLEUYUSIBNJHGT-STQMWFEESA-N 1 0 335.404 2.717 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595108156 478664001 /nfs/dbraw/zinc/66/40/01/478664001.db2.gz ZZAUAPJOBJVILX-LBPRGKRZSA-N 1 0 326.418 2.521 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601115728 478664268 /nfs/dbraw/zinc/66/42/68/478664268.db2.gz JMDJDKXEVCWZRX-SECBINFHSA-N 1 0 335.330 2.633 10 5 EFBERO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)(C)C[NH+](C)C ZINC000601118573 478667558 /nfs/dbraw/zinc/66/75/58/478667558.db2.gz FGMPMMCNLRQZES-QMMMGPOBSA-N 1 0 337.346 2.735 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601122404 478669883 /nfs/dbraw/zinc/66/98/83/478669883.db2.gz VVRPUFPAKDMPRD-NXEZZACHSA-N 1 0 349.357 2.656 10 5 EFBERO CC[NH+]1CCC(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601121957 478670427 /nfs/dbraw/zinc/67/04/27/478670427.db2.gz SNITYEIONNNXHC-UHFFFAOYSA-N 1 0 349.357 2.881 10 5 EFBERO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591893385 478678972 /nfs/dbraw/zinc/67/89/72/478678972.db2.gz ABDIYEVGROABOV-YOEHRIQHSA-N 1 0 345.443 2.863 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894814 478680793 /nfs/dbraw/zinc/68/07/93/478680793.db2.gz BXHMSZCDSMJQSW-WFASDCNBSA-N 1 0 343.383 2.945 10 5 EFBERO COCc1csc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148511 478687551 /nfs/dbraw/zinc/68/75/51/478687551.db2.gz CQSFJDVRMZLDNE-INIZCTEOSA-N 1 0 336.413 2.800 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H](O)C(F)F)cs2)c1 ZINC000601147607 478688460 /nfs/dbraw/zinc/68/84/60/478688460.db2.gz UNVWLEJEFJKQFR-LBPRGKRZSA-N 1 0 343.355 2.824 10 5 EFBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601152903 478691011 /nfs/dbraw/zinc/69/10/11/478691011.db2.gz ISEFVQMFZMGTQK-KRWDZBQOSA-N 1 0 336.338 2.956 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000601154586 478692537 /nfs/dbraw/zinc/69/25/37/478692537.db2.gz PKXFROSHRGGRRV-JTQLQIEISA-N 1 0 347.341 2.776 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000601154587 478693043 /nfs/dbraw/zinc/69/30/43/478693043.db2.gz PKXFROSHRGGRRV-SNVBAGLBSA-N 1 0 347.341 2.776 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224852 478692996 /nfs/dbraw/zinc/69/29/96/478692996.db2.gz IHKAGGSNNLCZKE-HUUCEWRRSA-N 1 0 347.415 2.598 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595223779 478693131 /nfs/dbraw/zinc/69/31/31/478693131.db2.gz AOZMRYOIRYJJAB-GJZGRUSLSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226128 478694403 /nfs/dbraw/zinc/69/44/03/478694403.db2.gz QDSYOVYZKTVPFM-PBHICJAKSA-N 1 0 331.416 2.898 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601163322 478700146 /nfs/dbraw/zinc/70/01/46/478700146.db2.gz HONPCOALGWVELV-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595258701 478704745 /nfs/dbraw/zinc/70/47/45/478704745.db2.gz RBMDYUOFRZWPMR-ZYHUDNBSSA-N 1 0 325.434 2.944 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601198854 478719090 /nfs/dbraw/zinc/71/90/90/478719090.db2.gz JADQVXRXOVXNMA-UHFFFAOYSA-N 1 0 337.346 2.879 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601199480 478720341 /nfs/dbraw/zinc/72/03/41/478720341.db2.gz VPNPHFFSLGIHMZ-OAHLLOKOSA-N 1 0 344.415 2.690 10 5 EFBERO COC(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000564330582 478726151 /nfs/dbraw/zinc/72/61/51/478726151.db2.gz PSDNGBNJKGBFRT-UHFFFAOYSA-N 1 0 343.339 2.788 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601260741 478751380 /nfs/dbraw/zinc/75/13/80/478751380.db2.gz SORSDUGHSFIOLW-KRWDZBQOSA-N 1 0 345.443 2.959 10 5 EFBERO COC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702518 478767323 /nfs/dbraw/zinc/76/73/23/478767323.db2.gz YOFUCEPLFQLCBC-ROUUACIJSA-N 1 0 330.384 2.671 10 5 EFBERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311113 478779473 /nfs/dbraw/zinc/77/94/73/478779473.db2.gz YKGRKMHEYVJBJM-CXAGYDPISA-N 1 0 343.427 2.615 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC000592131065 478787605 /nfs/dbraw/zinc/78/76/05/478787605.db2.gz SONHMLQFHHDHCW-XIRDDKMYSA-N 1 0 334.416 2.737 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000601353666 478797306 /nfs/dbraw/zinc/79/73/06/478797306.db2.gz DUVCPZLASWIGEF-JKSUJKDBSA-N 1 0 331.416 2.816 10 5 EFBERO C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476453 478807540 /nfs/dbraw/zinc/80/75/40/478807540.db2.gz RCUXYHITMOCIJE-IIYDPXPESA-N 1 0 338.379 2.892 10 5 EFBERO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000595476471 478807581 /nfs/dbraw/zinc/80/75/81/478807581.db2.gz RCUXYHITMOCIJE-XNJGSVPQSA-N 1 0 338.379 2.892 10 5 EFBERO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ncsc2C1 ZINC000592189864 478820209 /nfs/dbraw/zinc/82/02/09/478820209.db2.gz YDCWCTVHPYGRAY-CYBMUJFWSA-N 1 0 349.460 2.907 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592200472 478821980 /nfs/dbraw/zinc/82/19/80/478821980.db2.gz YZESVNCEVMKTJF-JKSUJKDBSA-N 1 0 334.416 2.989 10 5 EFBERO Cc1c(NC(=O)CC[NH2+]C2(CCO)CCCC2)cccc1[N+](=O)[O-] ZINC000595508096 478828008 /nfs/dbraw/zinc/82/80/08/478828008.db2.gz HIHPXJRTMITCQE-UHFFFAOYSA-N 1 0 335.404 2.517 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598466598 478837661 /nfs/dbraw/zinc/83/76/61/478837661.db2.gz QJXQAINIEAOFRI-UHFFFAOYSA-N 1 0 339.461 2.924 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598466203 478837891 /nfs/dbraw/zinc/83/78/91/478837891.db2.gz NPEQWKGZOULSFD-UHFFFAOYSA-N 1 0 346.431 2.855 10 5 EFBERO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592375639 478874279 /nfs/dbraw/zinc/87/42/79/478874279.db2.gz XYEOENFPSMYRMB-GOSISDBHSA-N 1 0 336.432 2.985 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000601551903 478875389 /nfs/dbraw/zinc/87/53/89/478875389.db2.gz QYXARDFXJJFHIE-CQSZACIVSA-N 1 0 339.395 2.989 10 5 EFBERO C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H](C)[C@H]1[NH3+] ZINC000601555480 478877626 /nfs/dbraw/zinc/87/76/26/478877626.db2.gz MLYRXWQLPOOUTH-XEZPLFJOSA-N 1 0 331.416 2.601 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601559726 478878708 /nfs/dbraw/zinc/87/87/08/478878708.db2.gz VVRGGGRBFYCEEJ-SMDDNHRTSA-N 1 0 335.429 2.531 10 5 EFBERO Cn1cnc(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000592394102 478882354 /nfs/dbraw/zinc/88/23/54/478882354.db2.gz MMPCUDCVISEKMB-HNNXBMFYSA-N 1 0 329.404 2.668 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601567175 478882859 /nfs/dbraw/zinc/88/28/59/478882859.db2.gz RUTPXAPOYDAESA-UHFFFAOYSA-N 1 0 346.431 2.755 10 5 EFBERO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@]1(O)CCOC1 ZINC000592397523 478883898 /nfs/dbraw/zinc/88/38/98/478883898.db2.gz MYRKHUDTEOQIMK-LPHOPBHVSA-N 1 0 348.443 2.683 10 5 EFBERO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592396713 478884181 /nfs/dbraw/zinc/88/41/81/478884181.db2.gz JHCVWHCNUCFGJZ-WMZOPIPTSA-N 1 0 334.416 2.739 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595616833 478890756 /nfs/dbraw/zinc/89/07/56/478890756.db2.gz DLYFKHSPJRAXOC-MRXNPFEDSA-N 1 0 346.383 2.807 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601586016 478892293 /nfs/dbraw/zinc/89/22/93/478892293.db2.gz ICDOTFQNFTZLEG-UHFFFAOYSA-N 1 0 348.447 2.653 10 5 EFBERO CC1(CC(F)F)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592446671 478896920 /nfs/dbraw/zinc/89/69/20/478896920.db2.gz NBKAOGQDRURDCP-UHFFFAOYSA-N 1 0 327.331 2.901 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601620427 478910928 /nfs/dbraw/zinc/91/09/28/478910928.db2.gz ITWMHHUGHYRKDH-QGZVFWFLSA-N 1 0 345.443 2.958 10 5 EFBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000601622865 478912976 /nfs/dbraw/zinc/91/29/76/478912976.db2.gz XDVHZLFLVHGBFF-UHFFFAOYSA-N 1 0 344.371 2.621 10 5 EFBERO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583689549 478917914 /nfs/dbraw/zinc/91/79/14/478917914.db2.gz XSXGALLTWBLDAK-SNVBAGLBSA-N 1 0 336.310 2.513 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000592516981 478925836 /nfs/dbraw/zinc/92/58/36/478925836.db2.gz MNZOQSKAFDDWSZ-HOCLYGCPSA-N 1 0 348.399 2.772 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000592528690 478934068 /nfs/dbraw/zinc/93/40/68/478934068.db2.gz ARUIRYBDTOZKAC-ZDUSSCGKSA-N 1 0 348.399 2.915 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595706778 478949706 /nfs/dbraw/zinc/94/97/06/478949706.db2.gz KXZLFTJSJWMKTO-BLLLJJGKSA-N 1 0 325.368 2.851 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CC1(F)F ZINC000598677615 478964349 /nfs/dbraw/zinc/96/43/49/478964349.db2.gz QGMQNNHYAYRDHV-GHMZBOCLSA-N 1 0 327.331 2.947 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000601737105 478978439 /nfs/dbraw/zinc/97/84/39/478978439.db2.gz DHNACVWXKZZZNX-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO C[C@@]12COC[C@@H]1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595760265 478981726 /nfs/dbraw/zinc/98/17/26/478981726.db2.gz SLMZKXGURFZTBE-SUMWQHHRSA-N 1 0 329.356 2.718 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768738 478985267 /nfs/dbraw/zinc/98/52/67/478985267.db2.gz GRYMZOWWVPERQX-CZUORRHYSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000595773978 478990577 /nfs/dbraw/zinc/99/05/77/478990577.db2.gz YQUXBTMFFIZQIV-JKSUJKDBSA-N 1 0 344.415 2.708 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3C[C@H](O)C34CCC4)co2)cc1 ZINC000595783682 478995142 /nfs/dbraw/zinc/99/51/42/478995142.db2.gz SXEXKIUORKNEQO-CABCVRRESA-N 1 0 329.356 2.643 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000573147967 479002211 /nfs/dbraw/zinc/00/22/11/479002211.db2.gz VXVQGBKLPPEXLQ-NSHDSACASA-N 1 0 343.330 2.545 10 5 EFBERO C[C@H]1COC2(CCCC2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595805702 479008612 /nfs/dbraw/zinc/00/86/12/479008612.db2.gz BCBQMKOPXNYXGV-AWEZNQCLSA-N 1 0 347.415 2.957 10 5 EFBERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808785 479010837 /nfs/dbraw/zinc/01/08/37/479010837.db2.gz WJZZZSVZTLEKIN-GDBMZVCRSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H]1COC2(CCCC2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595813753 479012541 /nfs/dbraw/zinc/01/25/41/479012541.db2.gz BJSWDGXYHBFBQF-AWEZNQCLSA-N 1 0 347.415 2.957 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000598888446 479074224 /nfs/dbraw/zinc/07/42/24/479074224.db2.gz LGMHMTWPZQHNDT-UHFFFAOYSA-N 1 0 336.436 2.877 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1([NH2+]C2CC2)CCC1 ZINC000595934879 479078751 /nfs/dbraw/zinc/07/87/51/479078751.db2.gz FHGNAQFFEAGXOX-UHFFFAOYSA-N 1 0 331.416 2.708 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595934237 479079481 /nfs/dbraw/zinc/07/94/81/479079481.db2.gz LJWICGUTHIRJHZ-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO CC(C)([NH3+])c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000595950977 479081304 /nfs/dbraw/zinc/08/13/04/479081304.db2.gz HWBPZXOMLDRZJL-UHFFFAOYSA-N 1 0 344.371 2.581 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595951767 479082072 /nfs/dbraw/zinc/08/20/72/479082072.db2.gz QWTBXRHPPDKJJO-SMDDNHRTSA-N 1 0 325.434 2.565 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000598917029 479084892 /nfs/dbraw/zinc/08/48/92/479084892.db2.gz PLNYFIJCKSMYOT-SMDDNHRTSA-N 1 0 336.367 2.730 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000601971061 479103629 /nfs/dbraw/zinc/10/36/29/479103629.db2.gz ASIHVFDFGRVOSE-GFCCVEGCSA-N 1 0 337.445 2.581 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977156 479106102 /nfs/dbraw/zinc/10/61/02/479106102.db2.gz RSXNQWBTJWQVLS-GFCCVEGCSA-N 1 0 335.404 2.502 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601977854 479106615 /nfs/dbraw/zinc/10/66/15/479106615.db2.gz URRBCODEAWBZHP-NSHDSACASA-N 1 0 337.445 2.825 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601978306 479106952 /nfs/dbraw/zinc/10/69/52/479106952.db2.gz XLTYVCGLKBQILA-ZDUSSCGKSA-N 1 0 335.404 2.502 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000601978579 479106999 /nfs/dbraw/zinc/10/69/99/479106999.db2.gz YXZVJJAJNJVRJR-JTQLQIEISA-N 1 0 325.796 2.756 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000598989080 479116387 /nfs/dbraw/zinc/11/63/87/479116387.db2.gz XJKVOPUEKWIBRJ-YUELXQCFSA-N 1 0 348.399 2.672 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)s1 ZINC000598990342 479117310 /nfs/dbraw/zinc/11/73/10/479117310.db2.gz LARJXBIYEGQSOO-JKSUJKDBSA-N 1 0 348.424 2.953 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)s1 ZINC000598990341 479117502 /nfs/dbraw/zinc/11/75/02/479117502.db2.gz LARJXBIYEGQSOO-HZPDHXFCSA-N 1 0 348.424 2.953 10 5 EFBERO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598996815 479119638 /nfs/dbraw/zinc/11/96/38/479119638.db2.gz ODECFECJKOGSOM-WBVHZDCISA-N 1 0 330.388 2.652 10 5 EFBERO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599007174 479124373 /nfs/dbraw/zinc/12/43/73/479124373.db2.gz MHIQACKCBMOFJW-CLFYSBASSA-N 1 0 331.416 2.846 10 5 EFBERO COc1cc(NCCCC[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078774 479124543 /nfs/dbraw/zinc/12/45/43/479124543.db2.gz ZITLXFQMYXITEH-UHFFFAOYSA-N 1 0 343.811 2.781 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)C2CCCCC2)c1 ZINC000593018016 479126817 /nfs/dbraw/zinc/12/68/17/479126817.db2.gz NONFPWNDFWUDQI-UHFFFAOYSA-N 1 0 336.388 2.508 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000599021895 479129698 /nfs/dbraw/zinc/12/96/98/479129698.db2.gz FQIZWQAFTPHECU-LJQANCHMSA-N 1 0 344.411 2.961 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000596092955 479133797 /nfs/dbraw/zinc/13/37/97/479133797.db2.gz YIWXFSBBYWIZNJ-VIFPVBQESA-N 1 0 327.768 2.541 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000599055310 479141355 /nfs/dbraw/zinc/14/13/55/479141355.db2.gz DLSIZDGHNRSIEH-KBPBESRZSA-N 1 0 335.404 2.718 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCOC1 ZINC000599055312 479141823 /nfs/dbraw/zinc/14/18/23/479141823.db2.gz DLSIZDGHNRSIEH-UONOGXRCSA-N 1 0 335.404 2.718 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593050238 479143002 /nfs/dbraw/zinc/14/30/02/479143002.db2.gz DJENKDYVCIRCKL-WBMJQRKESA-N 1 0 337.420 2.619 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000596109518 479143649 /nfs/dbraw/zinc/14/36/49/479143649.db2.gz BXIHCNNAJMUQRL-VIFPVBQESA-N 1 0 341.795 2.929 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599074528 479151313 /nfs/dbraw/zinc/15/13/13/479151313.db2.gz NEQCMHYMXPVPKU-LAIFWZPXSA-N 1 0 335.404 2.713 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599074022 479151423 /nfs/dbraw/zinc/15/14/23/479151423.db2.gz JFTKQUHWCJICJA-QVDOCOBGSA-N 1 0 335.404 2.713 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000593068753 479157124 /nfs/dbraw/zinc/15/71/24/479157124.db2.gz OFYZXYLLUKBAEZ-AWEZNQCLSA-N 1 0 335.404 2.733 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000599093159 479157853 /nfs/dbraw/zinc/15/78/53/479157853.db2.gz PJJYREIOWSHLHA-VQISRLSMSA-N 1 0 332.360 2.775 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000599093158 479157947 /nfs/dbraw/zinc/15/79/47/479157947.db2.gz PJJYREIOWSHLHA-KMUNFCNLSA-N 1 0 332.360 2.775 10 5 EFBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000599093568 479159740 /nfs/dbraw/zinc/15/97/40/479159740.db2.gz RWSOVRXPQCHNMM-HRCADAONSA-N 1 0 344.371 2.783 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@@H+]3C3CCCCC3)c21 ZINC000599126999 479170885 /nfs/dbraw/zinc/17/08/85/479170885.db2.gz LJDKQBVFPVZONO-AWEZNQCLSA-N 1 0 341.415 2.779 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000610769990 479182788 /nfs/dbraw/zinc/18/27/88/479182788.db2.gz VIAVPBHBYBOPTQ-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610771969 479183410 /nfs/dbraw/zinc/18/34/10/479183410.db2.gz OKAQIQJKNAIXJM-UHFFFAOYSA-N 1 0 346.431 2.718 10 5 EFBERO CCOc1cccc(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599160586 479188414 /nfs/dbraw/zinc/18/84/14/479188414.db2.gz MYEYYPIEXXEAMD-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165702 479191493 /nfs/dbraw/zinc/19/14/93/479191493.db2.gz QRJLJJPGWBOCPR-OAHLLOKOSA-N 1 0 347.415 2.739 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000599183782 479200409 /nfs/dbraw/zinc/20/04/09/479200409.db2.gz UUVYXMUNXDNRSO-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000599186659 479201523 /nfs/dbraw/zinc/20/15/23/479201523.db2.gz JAOXAYASJNUVAI-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596241732 479219880 /nfs/dbraw/zinc/21/98/80/479219880.db2.gz JRIOVPUWJRFVOE-UHFFFAOYSA-N 1 0 348.447 2.785 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593209049 479240789 /nfs/dbraw/zinc/24/07/89/479240789.db2.gz OIOCKRPDMHWRLA-UHFFFAOYSA-N 1 0 339.461 2.781 10 5 EFBERO CC(C)[N@@H+]1CCCC[C@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000596303808 479246332 /nfs/dbraw/zinc/24/63/32/479246332.db2.gz CZNLWHNFYJQQEO-HNNXBMFYSA-N 1 0 333.432 2.898 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596424545 479289558 /nfs/dbraw/zinc/28/95/58/479289558.db2.gz RVGZYOSEEXROBN-HNNXBMFYSA-N 1 0 345.374 2.913 10 5 EFBERO O=[N+]([O-])c1ccsc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596425528 479290379 /nfs/dbraw/zinc/29/03/79/479290379.db2.gz ZTAJRDFLTJMGJR-AWEZNQCLSA-N 1 0 333.413 2.835 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CNc3ccccc3C2)n1 ZINC000593319565 479292589 /nfs/dbraw/zinc/29/25/89/479292589.db2.gz NOUVGPQXTYWYBY-BHYGNILZSA-N 1 0 341.415 2.901 10 5 EFBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC3CCOCC3)C2)cc1 ZINC000599434291 479296448 /nfs/dbraw/zinc/29/64/48/479296448.db2.gz XGZLJWMKBSARBS-INIZCTEOSA-N 1 0 334.416 2.970 10 5 EFBERO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574518812 479301552 /nfs/dbraw/zinc/30/15/52/479301552.db2.gz UEHOVPBJWOQZED-YUMQZZPRSA-N 1 0 345.197 2.605 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000585781972 479325159 /nfs/dbraw/zinc/32/51/59/479325159.db2.gz GYPISXYTXYITOH-JKSUJKDBSA-N 1 0 349.431 2.681 10 5 EFBERO COc1ccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC000599553128 479330904 /nfs/dbraw/zinc/33/09/04/479330904.db2.gz OEBVEFRIBKNESO-KGLIPLIRSA-N 1 0 338.429 2.952 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553480 479331145 /nfs/dbraw/zinc/33/11/45/479331145.db2.gz WPNSRZUXIMPQFW-DFBGVHRSSA-N 1 0 335.429 2.892 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccccc1[N+](=O)[O-] ZINC000599553345 479331356 /nfs/dbraw/zinc/33/13/56/479331356.db2.gz PYDCZQZHJBWFNC-OLZOCXBDSA-N 1 0 335.429 2.893 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273854 479333799 /nfs/dbraw/zinc/33/37/99/479333799.db2.gz PRMZZFGRDIJYMV-HIFRSBDPSA-N 1 0 349.431 2.528 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611287569 479338334 /nfs/dbraw/zinc/33/83/34/479338334.db2.gz RTBIFGDWPOXXHD-KGLIPLIRSA-N 1 0 348.399 2.615 10 5 EFBERO Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596565408 479341108 /nfs/dbraw/zinc/34/11/08/479341108.db2.gz HWWLHTOLWLPMRG-ZDUSSCGKSA-N 1 0 325.384 2.589 10 5 EFBERO CCOc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596568241 479342762 /nfs/dbraw/zinc/34/27/62/479342762.db2.gz RFPIFIUVYZPEQY-OAHLLOKOSA-N 1 0 337.420 2.541 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000596568615 479343259 /nfs/dbraw/zinc/34/32/59/479343259.db2.gz SDXRFDVNPDPQSJ-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000596568614 479343409 /nfs/dbraw/zinc/34/34/09/479343409.db2.gz SDXRFDVNPDPQSJ-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593445534 479343456 /nfs/dbraw/zinc/34/34/56/479343456.db2.gz ZHQNFBAMHVNKTH-UHFFFAOYSA-N 1 0 337.395 2.515 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596569622 479343626 /nfs/dbraw/zinc/34/36/26/479343626.db2.gz AHFZTCSWDYJGBG-AWEZNQCLSA-N 1 0 347.415 2.915 10 5 EFBERO CC1(C)CCC[C@@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599594933 479346372 /nfs/dbraw/zinc/34/63/72/479346372.db2.gz NNHJVOBWLMZDLL-GOSISDBHSA-N 1 0 349.431 2.844 10 5 EFBERO CC1(C)CCC[C@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599597789 479347380 /nfs/dbraw/zinc/34/73/80/479347380.db2.gz YGYNOMVPWVTAGI-SFHVURJKSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625392 479356833 /nfs/dbraw/zinc/35/68/33/479356833.db2.gz JRXCEMZELMOCEZ-FJZAXULXSA-N 1 0 335.404 2.633 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624368 479356968 /nfs/dbraw/zinc/35/69/68/479356968.db2.gz CYJNIDFBHIFZTF-OKWUCSIUSA-N 1 0 335.404 2.632 10 5 EFBERO COC(=O)c1cc(-c2cccc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000596637185 479366252 /nfs/dbraw/zinc/36/62/52/479366252.db2.gz SRJOESCDRUBXBF-UHFFFAOYSA-N 1 0 344.367 2.989 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000611402508 479369653 /nfs/dbraw/zinc/36/96/53/479369653.db2.gz QPPMAFKGMCHOPH-LBPRGKRZSA-N 1 0 337.445 2.919 10 5 EFBERO C[NH+](C)CCOc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647711 479371183 /nfs/dbraw/zinc/37/11/83/479371183.db2.gz VUYRKZOAAMGLHS-UHFFFAOYSA-N 1 0 330.384 2.737 10 5 EFBERO Nc1cc(NCCCCC[NH+]2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000587975166 479378171 /nfs/dbraw/zinc/37/81/71/479378171.db2.gz HOAJUOBRKKRSPP-UHFFFAOYSA-N 1 0 336.436 2.737 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599670687 479382534 /nfs/dbraw/zinc/38/25/34/479382534.db2.gz YMBIMBCMMCMMPS-UHFFFAOYSA-N 1 0 333.432 2.672 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccccc1 ZINC000588007910 479383270 /nfs/dbraw/zinc/38/32/70/479383270.db2.gz MKEXCIORZODVHB-FUHWJXTLSA-N 1 0 342.399 2.527 10 5 EFBERO COc1ccc(OC)c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602532130 479384385 /nfs/dbraw/zinc/38/43/85/479384385.db2.gz DIFRYJPSFWPVEJ-UHFFFAOYSA-N 1 0 330.384 2.987 10 5 EFBERO Cc1cncn1C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000588037814 479386476 /nfs/dbraw/zinc/38/64/76/479386476.db2.gz CCLWBMBNTKUGDF-UHFFFAOYSA-N 1 0 338.371 2.884 10 5 EFBERO Nc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000588039373 479386625 /nfs/dbraw/zinc/38/66/25/479386625.db2.gz RWXRYULLRDVDOG-MRXNPFEDSA-N 1 0 348.447 2.878 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](CCOC(C)C)CC1 ZINC000575024818 479390873 /nfs/dbraw/zinc/39/08/73/479390873.db2.gz VCJLVJMFCSVDFP-UHFFFAOYSA-N 1 0 337.420 2.905 10 5 EFBERO CC[C@@]1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615311 479402870 /nfs/dbraw/zinc/40/28/70/479402870.db2.gz MUHYYGLCIYOTQN-CVEARBPZSA-N 1 0 340.445 2.927 10 5 EFBERO CC[C@]1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615314 479402978 /nfs/dbraw/zinc/40/29/78/479402978.db2.gz MUHYYGLCIYOTQN-JKSUJKDBSA-N 1 0 340.445 2.927 10 5 EFBERO COC(=O)C1C[C@@H](C)[NH+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000599713166 479404023 /nfs/dbraw/zinc/40/40/23/479404023.db2.gz ZVGBSVAGFXJUMD-CHWSQXEVSA-N 1 0 336.388 2.636 10 5 EFBERO Cc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694973 479425145 /nfs/dbraw/zinc/42/51/45/479425145.db2.gz VHRSMZUCSSMVTH-OAHLLOKOSA-N 1 0 327.384 2.769 10 5 EFBERO COCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593694347 479425434 /nfs/dbraw/zinc/42/54/34/479425434.db2.gz YYSIJYUKKKCMSI-SOFGYWHQSA-N 1 0 333.432 2.651 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](OC(F)F)C1)OCCO2 ZINC000611608116 479428757 /nfs/dbraw/zinc/42/87/57/479428757.db2.gz IEPWDLUISJWFEY-LLVKDONJSA-N 1 0 344.314 2.570 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000603833345 479433727 /nfs/dbraw/zinc/43/37/27/479433727.db2.gz HGGLWXBOMPBMRQ-AWEZNQCLSA-N 1 0 328.372 2.643 10 5 EFBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593730189 479436748 /nfs/dbraw/zinc/43/67/48/479436748.db2.gz LKGAOXNEVNRQQV-JLZZUVOBSA-N 1 0 337.395 2.595 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@@H+]1C ZINC000599832242 479443029 /nfs/dbraw/zinc/44/30/29/479443029.db2.gz TYGBZTVHQACPKJ-VXGBXAGGSA-N 1 0 343.387 2.747 10 5 EFBERO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831701 479443524 /nfs/dbraw/zinc/44/35/24/479443524.db2.gz WXAYPVCXLTVJRS-UHFFFAOYSA-N 1 0 343.387 2.749 10 5 EFBERO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832867 479444326 /nfs/dbraw/zinc/44/43/26/479444326.db2.gz LPQHITNQXHEDMJ-UHFFFAOYSA-N 1 0 343.387 2.701 10 5 EFBERO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[NH+](C)C ZINC000599833873 479444399 /nfs/dbraw/zinc/44/43/99/479444399.db2.gz BKKRQHMQHYPXQQ-LLVKDONJSA-N 1 0 331.376 2.605 10 5 EFBERO C[N@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000611708219 479453051 /nfs/dbraw/zinc/45/30/51/479453051.db2.gz LGBGLLXIZMFHAV-UHFFFAOYSA-N 1 0 329.404 2.636 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599920709 479470875 /nfs/dbraw/zinc/47/08/75/479470875.db2.gz LXUKYVYYIOXYCN-SWLSCSKDSA-N 1 0 332.404 2.548 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599929825 479474290 /nfs/dbraw/zinc/47/42/90/479474290.db2.gz VBAGQKCPDRSMFS-INIZCTEOSA-N 1 0 346.431 2.799 10 5 EFBERO C[C@@H]1CC[C@H](O)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602697766 479483596 /nfs/dbraw/zinc/48/35/96/479483596.db2.gz LSRGSQWIIPOQOE-SFYZADRCSA-N 1 0 335.223 2.764 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000618582894 479504026 /nfs/dbraw/zinc/50/40/26/479504026.db2.gz ZSOAMOIQEFMSFY-UHFFFAOYSA-N 1 0 329.404 2.783 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000593914145 479507839 /nfs/dbraw/zinc/50/78/39/479507839.db2.gz IQKPQXDTYWWREU-UHFFFAOYSA-N 1 0 343.383 2.561 10 5 EFBERO CNc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000604458811 479521501 /nfs/dbraw/zinc/52/15/01/479521501.db2.gz BSGDOCHYDZDDSM-UHFFFAOYSA-N 1 0 334.420 2.631 10 5 EFBERO COCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCCC1 ZINC000589496020 479534303 /nfs/dbraw/zinc/53/43/03/479534303.db2.gz ZLOQWYYRLBDEON-UHFFFAOYSA-N 1 0 336.388 2.772 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502207 479534328 /nfs/dbraw/zinc/53/43/28/479534328.db2.gz OOIRZGHVAFAALA-XJKSGUPXSA-N 1 0 349.431 2.686 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000589502689 479535495 /nfs/dbraw/zinc/53/54/95/479535495.db2.gz DUMJFEXLBMZQFR-HNNXBMFYSA-N 1 0 348.399 2.630 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502825 479535914 /nfs/dbraw/zinc/53/59/14/479535914.db2.gz BIGZXCFJUCEGMN-CQSZACIVSA-N 1 0 349.431 2.545 10 5 EFBERO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502882 479536167 /nfs/dbraw/zinc/53/61/67/479536167.db2.gz FRZGJAZAUOILTK-AWEZNQCLSA-N 1 0 349.431 2.545 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000589502691 479536213 /nfs/dbraw/zinc/53/62/13/479536213.db2.gz DUMJFEXLBMZQFR-OAHLLOKOSA-N 1 0 348.399 2.630 10 5 EFBERO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCO1 ZINC000594043872 479564108 /nfs/dbraw/zinc/56/41/08/479564108.db2.gz PBBPTLWVMOBCJY-CVEARBPZSA-N 1 0 336.388 2.899 10 5 EFBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594043772 479564714 /nfs/dbraw/zinc/56/47/14/479564714.db2.gz OOCACAINOIHROL-JKSUJKDBSA-N 1 0 335.404 2.861 10 5 EFBERO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000600186175 479571077 /nfs/dbraw/zinc/57/10/77/479571077.db2.gz AXLZUMLIMPQIDF-UHFFFAOYSA-N 1 0 344.367 2.609 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095720 479571593 /nfs/dbraw/zinc/57/15/93/479571593.db2.gz FTOTZZXMBHEQKL-UHFFFAOYSA-N 1 0 343.815 2.636 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589861088 479576951 /nfs/dbraw/zinc/57/69/51/479576951.db2.gz DUTJQOCOOWKFNC-UHFFFAOYSA-N 1 0 332.323 2.889 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3COCCOC3)s2)cc1 ZINC000589938161 479583738 /nfs/dbraw/zinc/58/37/38/479583738.db2.gz HKHLRHZBNBGSBF-UHFFFAOYSA-N 1 0 334.397 2.828 10 5 EFBERO Cn1ncc(C2CCC2)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000597126666 479584218 /nfs/dbraw/zinc/58/42/18/479584218.db2.gz GQNOQUSPHWFJOW-UHFFFAOYSA-N 1 0 329.404 2.561 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594102319 479588398 /nfs/dbraw/zinc/58/83/98/479588398.db2.gz JLRFTVLIRRAUKR-JGZJWPJOSA-N 1 0 345.321 2.684 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590052570 479596456 /nfs/dbraw/zinc/59/64/56/479596456.db2.gz DZTNHPSAXPJWKI-WMLDXEAASA-N 1 0 327.384 2.991 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000597172754 479604891 /nfs/dbraw/zinc/60/48/91/479604891.db2.gz CCBPAYLHHATVRL-IDJPSDCMSA-N 1 0 327.388 2.612 10 5 EFBERO CO[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597186083 479611597 /nfs/dbraw/zinc/61/15/97/479611597.db2.gz BFIUHGSSGNZODE-GOSISDBHSA-N 1 0 346.383 2.828 10 5 EFBERO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597187541 479612134 /nfs/dbraw/zinc/61/21/34/479612134.db2.gz NONXQCOTIKJOKA-SFHVURJKSA-N 1 0 346.383 2.828 10 5 EFBERO CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1=O ZINC000597215153 479625078 /nfs/dbraw/zinc/62/50/78/479625078.db2.gz XSKCVSQPXRTRHN-UHFFFAOYSA-N 1 0 329.356 2.519 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925845 479633816 /nfs/dbraw/zinc/63/38/16/479633816.db2.gz YVFFVGDSGFFLQQ-MORSLUCNSA-N 1 0 328.368 2.780 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925844 479634319 /nfs/dbraw/zinc/63/43/19/479634319.db2.gz YVFFVGDSGFFLQQ-FSPWUOQZSA-N 1 0 328.368 2.780 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000597231842 479634566 /nfs/dbraw/zinc/63/45/66/479634566.db2.gz RUENYLHZMGHJBI-CMPLNLGQSA-N 1 0 328.315 2.665 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236527 479636452 /nfs/dbraw/zinc/63/64/52/479636452.db2.gz ROFCLXBIJDYPDZ-ILCZHQDMSA-N 1 0 345.443 2.529 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236525 479636962 /nfs/dbraw/zinc/63/69/62/479636962.db2.gz ROFCLXBIJDYPDZ-FERCGXDMSA-N 1 0 345.443 2.529 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1CN1CCOC[C@H]1CC1CCC1)OCCO2 ZINC000590381890 479637436 /nfs/dbraw/zinc/63/74/36/479637436.db2.gz ROPRMOWSGVBQRX-OAHLLOKOSA-N 1 0 348.399 2.757 10 5 EFBERO C[C@@H]([NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000590598553 479665977 /nfs/dbraw/zinc/66/59/77/479665977.db2.gz AEIJVSZOJPMVNF-CXAGYDPISA-N 1 0 344.415 2.883 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000612576494 479697897 /nfs/dbraw/zinc/69/78/97/479697897.db2.gz PPLKMGFWBVZSCA-GOSISDBHSA-N 1 0 333.432 2.590 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000619198934 479714985 /nfs/dbraw/zinc/71/49/85/479714985.db2.gz RDCPILPHEPYNMK-UHFFFAOYSA-N 1 0 338.367 2.949 10 5 EFBERO COc1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1O ZINC000610717467 480373015 /nfs/dbraw/zinc/37/30/15/480373015.db2.gz ZMXJPQSJVRQVDQ-INIZCTEOSA-N 1 0 338.404 2.994 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188021640 533900466 /nfs/dbraw/zinc/90/04/66/533900466.db2.gz CJIGNDQIGZGFDS-UGSOOPFHSA-N 1 0 349.431 2.715 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000191343454 534054781 /nfs/dbraw/zinc/05/47/81/534054781.db2.gz VTQDDVNPIHWRLH-UONOGXRCSA-N 1 0 332.404 2.912 10 5 EFBERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835970 534111932 /nfs/dbraw/zinc/11/19/32/534111932.db2.gz YJBXMZMBXRPTNX-HNNXBMFYSA-N 1 0 330.388 2.507 10 5 EFBERO CCC[NH2+]CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000154300860 519916929 /nfs/dbraw/zinc/91/69/29/519916929.db2.gz PSOZQTWNCRDKIU-AWEZNQCLSA-N 1 0 348.447 2.561 10 5 EFBERO C[C@@H]1C[NH+](CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000153932970 534462246 /nfs/dbraw/zinc/46/22/46/534462246.db2.gz WAQPDHAHHLGBGI-VXGBXAGGSA-N 1 0 342.827 2.945 10 5 EFBERO CC1(C)CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261684016 520477325 /nfs/dbraw/zinc/47/73/25/520477325.db2.gz HCXMTASXGIHYBE-CYBMUJFWSA-N 1 0 342.237 2.917 10 5 EFBERO COc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000112919017 523622752 /nfs/dbraw/zinc/62/27/52/523622752.db2.gz IOQMVIYWVAROQI-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO CN1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000180585742 524025379 /nfs/dbraw/zinc/02/53/79/524025379.db2.gz VAUWWCAIWANVGM-APWZRJJASA-N 1 0 339.395 2.895 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179790429 524336717 /nfs/dbraw/zinc/33/67/17/524336717.db2.gz KDOVUTCLZBRITH-ZFWWWQNUSA-N 1 0 333.432 2.979 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000153330433 524907091 /nfs/dbraw/zinc/90/70/91/524907091.db2.gz QITYXPPQSCEWRQ-SJPCQFCGSA-N 1 0 344.459 2.650 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245907782 525089012 /nfs/dbraw/zinc/08/90/12/525089012.db2.gz QVBVILFWDRCIQJ-DYVFJYSZSA-N 1 0 342.399 2.918 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503282 525457643 /nfs/dbraw/zinc/45/76/43/525457643.db2.gz GNNBBLHNWMTTBA-UHFFFAOYSA-N 1 0 330.388 2.717 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658919 525636187 /nfs/dbraw/zinc/63/61/87/525636187.db2.gz ZMZAXBQWCCQAFZ-UKRRQHHQSA-N 1 0 329.404 2.648 10 5 EFBERO Cc1c(CC(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000119671629 525689307 /nfs/dbraw/zinc/68/93/07/525689307.db2.gz UBJKSNTXMDUKLX-UHFFFAOYSA-N 1 0 331.416 2.533 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132978593 534879180 /nfs/dbraw/zinc/87/91/80/534879180.db2.gz ATVUZMGJHMTLHF-CVEARBPZSA-N 1 0 337.395 2.914 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176721149 525897007 /nfs/dbraw/zinc/89/70/07/525897007.db2.gz VXWUQHHVZUKSJB-OFQRWUPVSA-N 1 0 346.431 2.842 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176721114 525897414 /nfs/dbraw/zinc/89/74/14/525897414.db2.gz VXWUQHHVZUKSJB-DZKIICNBSA-N 1 0 346.431 2.842 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000067211381 526073486 /nfs/dbraw/zinc/07/34/86/526073486.db2.gz HOVOQVODMVRBPP-MRXNPFEDSA-N 1 0 341.411 2.806 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154072939 526603025 /nfs/dbraw/zinc/60/30/25/526603025.db2.gz IOMPBLDXSMGJIK-UHFFFAOYSA-N 1 0 345.443 2.862 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152364254 527373309 /nfs/dbraw/zinc/37/33/09/527373309.db2.gz LLFHFLIWIPYOGY-KRWDZBQOSA-N 1 0 329.356 2.522 10 5 EFBERO Cn1nccc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195503924 527600062 /nfs/dbraw/zinc/60/00/62/527600062.db2.gz BJJUTVFPPRFLAO-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000130957222 527841240 /nfs/dbraw/zinc/84/12/40/527841240.db2.gz BCBKMOPCHFEBQG-AWEZNQCLSA-N 1 0 349.431 2.858 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000130957423 527852196 /nfs/dbraw/zinc/85/21/96/527852196.db2.gz BCBKMOPCHFEBQG-CQSZACIVSA-N 1 0 349.431 2.858 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181878588 528266533 /nfs/dbraw/zinc/26/65/33/528266533.db2.gz BJDSZYAEMFUXMP-SNVBAGLBSA-N 1 0 345.346 2.656 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000178338456 528269603 /nfs/dbraw/zinc/26/96/03/528269603.db2.gz RFMMRJUVHLZBQO-GFCCVEGCSA-N 1 0 334.420 2.629 10 5 EFBERO CC[C@@H]([NH2+]CCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181547924 529162178 /nfs/dbraw/zinc/16/21/78/529162178.db2.gz VNVHWIMFHNJDGU-OAHLLOKOSA-N 1 0 328.434 2.849 10 5 EFBERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000178670090 529199091 /nfs/dbraw/zinc/19/90/91/529199091.db2.gz OTPOUSJDBRQOCP-SMDDNHRTSA-N 1 0 332.360 2.959 10 5 EFBERO CC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000153802756 529296844 /nfs/dbraw/zinc/29/68/44/529296844.db2.gz FYXAJZKABDIOLF-OCCSQVGLSA-N 1 0 341.839 2.525 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153727624 529304160 /nfs/dbraw/zinc/30/41/60/529304160.db2.gz NYSBRRFAVIDYER-LSDHHAIUSA-N 1 0 332.404 2.994 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412188882 534942999 /nfs/dbraw/zinc/94/29/99/534942999.db2.gz FECMGAMSYMJMDH-OAHLLOKOSA-N 1 0 347.415 2.691 10 5 EFBERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000360974344 534954139 /nfs/dbraw/zinc/95/41/39/534954139.db2.gz JEMAIIOLSCGTQJ-UHFFFAOYSA-N 1 0 346.387 2.536 10 5 EFBERO CC(C)n1c(Sc2ccc([N+](=O)[O-])nc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000344441356 535048069 /nfs/dbraw/zinc/04/80/69/535048069.db2.gz WGTOZYZMNYBCHC-NSHDSACASA-N 1 0 348.432 2.780 10 5 EFBERO CC[NH+]1CCC(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360110379 535452354 /nfs/dbraw/zinc/45/23/54/535452354.db2.gz CNBPLFOIWOBYHM-UHFFFAOYSA-N 1 0 335.404 2.915 10 5 EFBERO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927703 535522244 /nfs/dbraw/zinc/52/22/44/535522244.db2.gz CVBNEVDPDUPCIG-XOKHGSTOSA-N 1 0 334.416 2.908 10 5 EFBERO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000229697208 535526268 /nfs/dbraw/zinc/52/62/68/535526268.db2.gz AYFLDVMVFUWDAK-HOCLYGCPSA-N 1 0 336.436 2.847 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000345915368 535703403 /nfs/dbraw/zinc/70/34/03/535703403.db2.gz YGDMQFUZBSEHQA-QWHCGFSZSA-N 1 0 335.404 2.548 10 5 EFBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192650 535940044 /nfs/dbraw/zinc/94/00/44/535940044.db2.gz WZYFUOPFEABFQF-MRXNPFEDSA-N 1 0 345.374 2.637 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347907061 536067544 /nfs/dbraw/zinc/06/75/44/536067544.db2.gz AJJHVPUCANNZJV-CQSZACIVSA-N 1 0 329.356 2.507 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000412054601 536753443 /nfs/dbraw/zinc/75/34/43/536753443.db2.gz IXMYQUXLHRKQFG-OAHLLOKOSA-N 1 0 347.415 2.580 10 5 EFBERO CC[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275398098 538125677 /nfs/dbraw/zinc/12/56/77/538125677.db2.gz DLSMTMHRFZCKLQ-OAHLLOKOSA-N 1 0 334.420 2.829 10 5 EFBERO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000725263807 550198704 /nfs/dbraw/zinc/19/87/04/550198704.db2.gz KHOLPOMFJCXSBI-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754414733 575433505 /nfs/dbraw/zinc/43/35/05/575433505.db2.gz KCGQEYHLBLDJHX-CMOQBRTCSA-N 1 0 331.416 2.939 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000755188029 575558399 /nfs/dbraw/zinc/55/83/99/575558399.db2.gz FCZSQHUOXSHDSI-SCOADAFUSA-N 1 0 331.416 2.845 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000755308788 575572887 /nfs/dbraw/zinc/57/28/87/575572887.db2.gz ASRVQPLMUBNLML-HVJHFUJKSA-N 1 0 329.400 2.551 10 5 EFBERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514935 576173708 /nfs/dbraw/zinc/17/37/08/576173708.db2.gz OGNVJKGWRUKKNO-OCCSQVGLSA-N 1 0 337.807 2.739 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000765006844 576535532 /nfs/dbraw/zinc/53/55/32/576535532.db2.gz YYXAGZCMNZMRML-QAPCUYQASA-N 1 0 327.384 2.588 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849331 577082512 /nfs/dbraw/zinc/08/25/12/577082512.db2.gz OLOQXTWRQXYZNK-BLLLJJGKSA-N 1 0 344.367 2.750 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000768752154 577298700 /nfs/dbraw/zinc/29/87/00/577298700.db2.gz FKQPZFWPYWTYQJ-GOSISDBHSA-N 1 0 327.384 2.903 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769070392 577330818 /nfs/dbraw/zinc/33/08/18/577330818.db2.gz WGVYTSBFIQBFGK-UHFFFAOYSA-N 1 0 347.346 2.726 10 5 EFBERO C[NH+](C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000769998068 577396916 /nfs/dbraw/zinc/39/69/16/577396916.db2.gz OYRWSLSWQNABHZ-UHFFFAOYSA-N 1 0 326.784 2.806 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000771576170 581224260 /nfs/dbraw/zinc/22/42/60/581224260.db2.gz NTABHKWZOUAEHR-NSHDSACASA-N 1 0 325.796 2.851 10 5 EFBERO Cc1sccc1CC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691502556 1250020763 /nfs/dbraw/zinc/02/07/63/1250020763.db2.gz HYJMBWRZIWAWLL-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000823754707 1265424823 /nfs/dbraw/zinc/42/48/23/1265424823.db2.gz GDEVYTPQUSVSKT-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO CC(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691078390 1248368194 /nfs/dbraw/zinc/36/81/94/1248368194.db2.gz QZOSKUJSQOUSIU-BJHJDKERSA-N 1 0 325.434 2.687 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC001691248737 1248569156 /nfs/dbraw/zinc/56/91/56/1248569156.db2.gz OMVPAOVBDHOSGE-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO Cc1c([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490541 1250501924 /nfs/dbraw/zinc/50/19/24/1250501924.db2.gz CVSAAGRVHPXVAJ-MGUXCZDKSA-N 1 0 338.351 2.865 10 5 EFBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001691608094 1251818818 /nfs/dbraw/zinc/81/88/18/1251818818.db2.gz IWPWRAYCFNYKLF-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CC1 ZINC001484650469 1252770311 /nfs/dbraw/zinc/77/03/11/1252770311.db2.gz WRCMMLHQQAZKSD-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458434 1266075161 /nfs/dbraw/zinc/07/51/61/1266075161.db2.gz PHRVQMVTRBKAPJ-ZWNOBZJWSA-N 1 0 334.294 2.803 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922595326 1266418111 /nfs/dbraw/zinc/41/81/11/1266418111.db2.gz PINYMSZJMDFBBQ-RVDMUPIBSA-N 1 0 346.427 2.909 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923399391 1261609030 /nfs/dbraw/zinc/60/90/30/1261609030.db2.gz PDAIGUSBNCXZLI-CYBMUJFWSA-N 1 0 340.221 2.732 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000923417058 1261616842 /nfs/dbraw/zinc/61/68/42/1261616842.db2.gz TUXSLGATQOIENN-ZIAGYGMSSA-N 1 0 340.221 2.684 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000923417055 1261616906 /nfs/dbraw/zinc/61/69/06/1261616906.db2.gz TUXSLGATQOIENN-KBPBESRZSA-N 1 0 340.221 2.684 10 5 EFBERO [NH3+]C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923427724 1261635179 /nfs/dbraw/zinc/63/51/79/1261635179.db2.gz VCJRMAVNHXDWDQ-KBXCAEBGSA-N 1 0 327.384 2.581 10 5 EFBERO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH3+] ZINC000923431559 1261649222 /nfs/dbraw/zinc/64/92/22/1261649222.db2.gz TXKURKSBOPBYIB-GFCCVEGCSA-N 1 0 328.210 2.526 10 5 EFBERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000923451551 1261689104 /nfs/dbraw/zinc/68/91/04/1261689104.db2.gz OGQPNYKEUGVIAY-CXAGYDPISA-N 1 0 346.431 2.972 10 5 EFBERO O=C1C[C@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000922782823 1266779434 /nfs/dbraw/zinc/77/94/34/1266779434.db2.gz VJCSBADLABIPLK-LBPRGKRZSA-N 1 0 345.424 2.939 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000823658035 1265395380 /nfs/dbraw/zinc/39/53/80/1265395380.db2.gz ZQCIMSAUCGJUET-ZIAGYGMSSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000823658032 1265396601 /nfs/dbraw/zinc/39/66/01/1265396601.db2.gz ZQCIMSAUCGJUET-KBPBESRZSA-N 1 0 337.807 2.851 10 5 EFBERO CCO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000922756838 1266742573 /nfs/dbraw/zinc/74/25/73/1266742573.db2.gz PGCXECXQFUTOSO-KRWDZBQOSA-N 1 0 347.415 2.911 10 5 EFBERO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000736285143 1267567969 /nfs/dbraw/zinc/56/79/69/1267567969.db2.gz HJHHFJCACHXEEI-CYBMUJFWSA-N 1 0 340.811 2.699 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCSCC2)cc1Cl ZINC000825133252 1278423850 /nfs/dbraw/zinc/42/38/50/1278423850.db2.gz AQPMDSGACZTYOI-UHFFFAOYSA-N 1 0 330.837 2.938 10 5 EFBERO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000740888321 1269155324 /nfs/dbraw/zinc/15/53/24/1269155324.db2.gz PPGVELWXTMFJBB-NSHDSACASA-N 1 0 343.811 2.932 10 5 EFBERO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000746045917 1271738375 /nfs/dbraw/zinc/73/83/75/1271738375.db2.gz QRWGPJPDOPELTE-SJKOYZFVSA-N 1 0 346.383 2.996 10 5 EFBERO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000746045912 1271739263 /nfs/dbraw/zinc/73/92/63/1271739263.db2.gz QRWGPJPDOPELTE-PXAZEXFGSA-N 1 0 346.383 2.996 10 5 EFBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608608 1276224225 /nfs/dbraw/zinc/22/42/25/1276224225.db2.gz GWKTUMHCYJNFKY-GHMZBOCLSA-N 1 0 331.420 2.809 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000817908670 1276371014 /nfs/dbraw/zinc/37/10/14/1276371014.db2.gz HIDAOCKGQJAQEG-CQSZACIVSA-N 1 0 339.823 2.985 10 5 EFBERO COc1cccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC000818553187 1276533252 /nfs/dbraw/zinc/53/32/52/1276533252.db2.gz AZDPKHGTTYPWCJ-UHFFFAOYSA-N 1 0 341.367 2.655 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000818553076 1276533256 /nfs/dbraw/zinc/53/32/56/1276533256.db2.gz HNSPFEMMZHHFMQ-UHFFFAOYSA-N 1 0 325.368 2.955 10 5 EFBERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013431 1276588736 /nfs/dbraw/zinc/58/87/36/1276588736.db2.gz BKQJHTNBAWLQFM-IRXDYDNUSA-N 1 0 328.368 2.968 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000819027848 1276594148 /nfs/dbraw/zinc/59/41/48/1276594148.db2.gz UJDXVLOHVLSORG-HNNXBMFYSA-N 1 0 338.310 2.575 10 5 EFBERO CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819025365 1276594736 /nfs/dbraw/zinc/59/47/36/1276594736.db2.gz OKZPNTZFRJEKGF-MRXNPFEDSA-N 1 0 334.347 2.956 10 5 EFBERO Cc1noc(C)c1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819144326 1276628985 /nfs/dbraw/zinc/62/89/85/1276628985.db2.gz ZPWFOEOAIBPFEQ-UHFFFAOYSA-N 1 0 346.387 2.751 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000819177294 1276658717 /nfs/dbraw/zinc/65/87/17/1276658717.db2.gz DJZJSGKSMWEJAE-QGZVFWFLSA-N 1 0 330.388 2.730 10 5 EFBERO Cc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000819256977 1276687787 /nfs/dbraw/zinc/68/77/87/1276687787.db2.gz QNVGHXJQVRULOV-KRWDZBQOSA-N 1 0 330.384 2.783 10 5 EFBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763652 1287275163 /nfs/dbraw/zinc/27/51/63/1287275163.db2.gz NDNNXXTVCCZHCY-KGLIPLIRSA-N 1 0 338.795 2.949 10 5 EFBERO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000871936019 1287369507 /nfs/dbraw/zinc/36/95/07/1287369507.db2.gz XUUCYOFJFZDOBE-KPGMEVQCSA-N 1 0 338.429 2.601 10 5 EFBERO C[C@@]12CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]1C2(F)F ZINC000793544492 1279739292 /nfs/dbraw/zinc/73/92/92/1279739292.db2.gz LJQIPVBSCXQHHE-DZGCQCFKSA-N 1 0 349.341 2.788 10 5 EFBERO CCON(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000846062247 1280015668 /nfs/dbraw/zinc/01/56/68/1280015668.db2.gz AFTNJHOHPQPBDC-UHFFFAOYSA-N 1 0 349.412 2.823 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846216662 1280072861 /nfs/dbraw/zinc/07/28/61/1280072861.db2.gz SSPAOECXGMEKDM-NHYWBVRUSA-N 1 0 342.399 2.604 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000794207000 1280092824 /nfs/dbraw/zinc/09/28/24/1280092824.db2.gz PFEFODKCAUJLGP-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024701 1287404224 /nfs/dbraw/zinc/40/42/24/1287404224.db2.gz DBVXCUUGPIHXPM-QWHCGFSZSA-N 1 0 345.378 2.844 10 5 EFBERO C[C@@H](NC[C@H](O)COc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020232 1287401519 /nfs/dbraw/zinc/40/15/19/1287401519.db2.gz FXVUZJHDARROLF-OLZOCXBDSA-N 1 0 334.347 2.824 10 5 EFBERO CC(C)(C)OC(=O)CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323241 1287401806 /nfs/dbraw/zinc/40/18/06/1287401806.db2.gz JSNULTGSYKMECR-QGZVFWFLSA-N 1 0 338.404 2.514 10 5 EFBERO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021166 1287402705 /nfs/dbraw/zinc/40/27/05/1287402705.db2.gz NTAKYVOHUHURMK-LLVKDONJSA-N 1 0 335.379 2.786 10 5 EFBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000804423053 1280204053 /nfs/dbraw/zinc/20/40/53/1280204053.db2.gz FERIBMXPZIEWPU-UHFFFAOYSA-N 1 0 326.272 2.827 10 5 EFBERO COCCC[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031549 1287405812 /nfs/dbraw/zinc/40/58/12/1287405812.db2.gz QLHDVMFJCKZTLB-ZDUSSCGKSA-N 1 0 339.411 2.885 10 5 EFBERO CC(C)(C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC001129554794 1280250236 /nfs/dbraw/zinc/25/02/36/1280250236.db2.gz XTDDZPSCIOVDCV-UHFFFAOYSA-N 1 0 338.367 2.837 10 5 EFBERO C[C@@H]([NH2+]CCCOC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049595 1287412691 /nfs/dbraw/zinc/41/26/91/1287412691.db2.gz UDQZKJJWEQSNNL-GFCCVEGCSA-N 1 0 326.368 2.970 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066043 1287417303 /nfs/dbraw/zinc/41/73/03/1287417303.db2.gz JGXUGCOSLLUWSZ-LBPRGKRZSA-N 1 0 345.378 2.844 10 5 EFBERO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065562 1287417772 /nfs/dbraw/zinc/41/77/72/1287417772.db2.gz DNRUMIXCJJTFDS-KBPBESRZSA-N 1 0 339.411 2.885 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000872083396 1287423686 /nfs/dbraw/zinc/42/36/86/1287423686.db2.gz LSOSWWTWKSVBTP-ABAIWWIYSA-N 1 0 326.418 2.509 10 5 EFBERO COC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872085896 1287424356 /nfs/dbraw/zinc/42/43/56/1287424356.db2.gz RUFNLQXZIDYYNL-BXUZGUMPSA-N 1 0 326.368 2.826 10 5 EFBERO COC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872085902 1287424715 /nfs/dbraw/zinc/42/47/15/1287424715.db2.gz RUFNLQXZIDYYNL-SMDDNHRTSA-N 1 0 326.368 2.826 10 5 EFBERO COCC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000872105556 1287430262 /nfs/dbraw/zinc/43/02/62/1287430262.db2.gz KWCNSXRBIFACCN-CYBMUJFWSA-N 1 0 337.420 2.964 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872110527 1287432771 /nfs/dbraw/zinc/43/27/71/1287432771.db2.gz YZTKJEWKYJGBAN-OSRSDYAFSA-N 1 0 347.415 2.859 10 5 EFBERO Cc1ccnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000846972655 1280639935 /nfs/dbraw/zinc/63/99/35/1280639935.db2.gz XLZHWWSTGZSPNT-CRAIPNDOSA-N 1 0 327.384 2.821 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000846988514 1280675799 /nfs/dbraw/zinc/67/57/99/1280675799.db2.gz MHVQWFVVXVZMKD-OBEJXRGXSA-N 1 0 331.416 2.941 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC000872147522 1287444511 /nfs/dbraw/zinc/44/45/11/1287444511.db2.gz BVIUGODFLAAQNL-GXSJLCMTSA-N 1 0 337.729 2.817 10 5 EFBERO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872151699 1287448220 /nfs/dbraw/zinc/44/82/20/1287448220.db2.gz LLKBYMSXFQOTHM-GXSJLCMTSA-N 1 0 337.729 2.817 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000872223899 1287485632 /nfs/dbraw/zinc/48/56/32/1287485632.db2.gz OXKYWEJQYJQRNV-DLBZAZTESA-N 1 0 334.416 2.957 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001175642937 1287499847 /nfs/dbraw/zinc/49/98/47/1287499847.db2.gz GCTDEGGAEVKHJQ-TZMCWYRMSA-N 1 0 343.387 2.551 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000808058783 1281509130 /nfs/dbraw/zinc/50/91/30/1281509130.db2.gz WFGCTCTUHLQYEB-LLVKDONJSA-N 1 0 338.433 2.709 10 5 EFBERO COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953181 1282677538 /nfs/dbraw/zinc/67/75/38/1282677538.db2.gz GZLJGJYFRJBYMG-ZDUSSCGKSA-N 1 0 337.203 2.779 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000810761699 1283606443 /nfs/dbraw/zinc/60/64/43/1283606443.db2.gz POTDBEORCRJURM-MRXNPFEDSA-N 1 0 349.366 2.622 10 5 EFBERO Cc1ccccc1[C@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001176177191 1287728685 /nfs/dbraw/zinc/72/86/85/1287728685.db2.gz UATIBJWJNDHDJR-SFHVURJKSA-N 1 0 330.384 2.947 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1CCOC1 ZINC000812290915 1285027872 /nfs/dbraw/zinc/02/78/72/1285027872.db2.gz IQZAISPKAKQKHZ-KRWDZBQOSA-N 1 0 330.388 2.915 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000813012341 1285609874 /nfs/dbraw/zinc/60/98/74/1285609874.db2.gz HYRJABYPKYALOC-QGZVFWFLSA-N 1 0 335.379 2.696 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001133576125 1285631785 /nfs/dbraw/zinc/63/17/85/1285631785.db2.gz HRMDVILUCRAFBR-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)nc1 ZINC000822863790 1289142199 /nfs/dbraw/zinc/14/21/99/1289142199.db2.gz UQMZSVHRLFPGCB-HONMWMINSA-N 1 0 329.360 2.557 10 5 EFBERO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1COc1ccc(Br)cc1 ZINC001176641533 1288054563 /nfs/dbraw/zinc/05/45/63/1288054563.db2.gz RCUUPTBNLRTDHW-LBPRGKRZSA-N 1 0 329.194 2.569 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176887185 1288162549 /nfs/dbraw/zinc/16/25/49/1288162549.db2.gz PGFOPJIELKVBKW-CEXWTWQISA-N 1 0 347.459 2.823 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCOCC34CCCC4)nc2c1 ZINC001176964457 1288197136 /nfs/dbraw/zinc/19/71/36/1288197136.db2.gz BYVXNNUGEZOLDL-OAHLLOKOSA-N 1 0 330.388 2.910 10 5 EFBERO C/C(=C/C(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000817483059 1288614255 /nfs/dbraw/zinc/61/42/55/1288614255.db2.gz CALBWBWTYVGDQC-SEYXRHQNSA-N 1 0 331.416 2.987 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001136453155 1288737350 /nfs/dbraw/zinc/73/73/50/1288737350.db2.gz VYJCTXGSUMCAOE-CQSZACIVSA-N 1 0 349.431 2.844 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C(C)(C)C1 ZINC001178860582 1288967858 /nfs/dbraw/zinc/96/78/58/1288967858.db2.gz FTMQGCVKUPYZHT-MRXNPFEDSA-N 1 0 349.431 2.842 10 5 EFBERO CC[NH+]1CCC(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])CC1 ZINC001184998928 1290573426 /nfs/dbraw/zinc/57/34/26/1290573426.db2.gz IQNKTZCENYYTIE-UHFFFAOYSA-N 1 0 344.415 2.717 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518129 1312801357 /nfs/dbraw/zinc/80/13/57/1312801357.db2.gz NGFIQEPDBNLDHA-CHWSQXEVSA-N 1 0 347.337 2.703 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534452 1312831448 /nfs/dbraw/zinc/83/14/48/1312831448.db2.gz FVIKBRAAFPVOHS-QWHCGFSZSA-N 1 0 347.337 2.705 10 5 EFBERO C[NH2+]C1(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])CCCCC1 ZINC001187430785 1291174832 /nfs/dbraw/zinc/17/48/32/1291174832.db2.gz PHTIAZPQALDBHY-UHFFFAOYSA-N 1 0 344.415 2.908 10 5 EFBERO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903539096 1312838023 /nfs/dbraw/zinc/83/80/23/1312838023.db2.gz KEFYSOIQKKXIKG-CMPLNLGQSA-N 1 0 337.729 2.960 10 5 EFBERO [NH3+][C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903539097 1312838094 /nfs/dbraw/zinc/83/80/94/1312838094.db2.gz KEFYSOIQKKXIKG-JQWIXIFHSA-N 1 0 337.729 2.960 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000880505813 1292520447 /nfs/dbraw/zinc/52/04/47/1292520447.db2.gz GAPBIYRJERYUNQ-MJEQTWJJSA-N 1 0 333.388 2.613 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000880504749 1292521167 /nfs/dbraw/zinc/52/11/67/1292521167.db2.gz ZBIQTFCHJYSMNZ-WBVHZDCISA-N 1 0 334.372 2.573 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880509039 1292523339 /nfs/dbraw/zinc/52/33/39/1292523339.db2.gz XIMBYDLJWQJONZ-AEFFLSMTSA-N 1 0 347.415 2.923 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880515007 1292526351 /nfs/dbraw/zinc/52/63/51/1292526351.db2.gz ICBXDJIEKCXSAY-VMGRFDJRSA-N 1 0 333.388 2.613 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C(C)(C)C ZINC000880611955 1292558002 /nfs/dbraw/zinc/55/80/02/1292558002.db2.gz BIWZIVLMEWQODA-MRXNPFEDSA-N 1 0 344.415 2.878 10 5 EFBERO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000775547803 1293052460 /nfs/dbraw/zinc/05/24/60/1293052460.db2.gz DSVASAMQMRZEIN-CVEARBPZSA-N 1 0 332.404 2.739 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883297931 1293534682 /nfs/dbraw/zinc/53/46/82/1293534682.db2.gz DDNCRLDRHGXPRO-DDKJEQMHSA-N 1 0 338.429 2.555 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883297933 1293534917 /nfs/dbraw/zinc/53/49/17/1293534917.db2.gz DDNCRLDRHGXPRO-IVOILVROSA-N 1 0 338.429 2.555 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001194262295 1293574261 /nfs/dbraw/zinc/57/42/61/1293574261.db2.gz MAMPPSNECPOAPR-AEFFLSMTSA-N 1 0 334.416 2.797 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000883402797 1293580412 /nfs/dbraw/zinc/58/04/12/1293580412.db2.gz AEZQFUJHMQMRIE-UDYBNVKDSA-N 1 0 329.400 2.599 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000885935709 1294570176 /nfs/dbraw/zinc/57/01/76/1294570176.db2.gz PQTGPQOSTHKFBV-ROUUACIJSA-N 1 0 331.416 2.674 10 5 EFBERO CC1(C)CO[C@@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000886306956 1294837000 /nfs/dbraw/zinc/83/70/00/1294837000.db2.gz FMAFDYPUHSLIOW-ZDUSSCGKSA-N 1 0 336.388 2.661 10 5 EFBERO COc1cc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1OC ZINC000886307089 1294837402 /nfs/dbraw/zinc/83/74/02/1294837402.db2.gz JHELVOXWWJFHDD-CYBMUJFWSA-N 1 0 338.404 2.907 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCC3)CO1)OCCO2 ZINC000886318124 1294848950 /nfs/dbraw/zinc/84/89/50/1294848950.db2.gz KLTKAJBHFBXCDX-AWEZNQCLSA-N 1 0 348.399 2.805 10 5 EFBERO COc1cc(CN2CC[N@H+](C)C[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001198084042 1294869023 /nfs/dbraw/zinc/86/90/23/1294869023.db2.gz FJJNVTDRORCVOM-CQSZACIVSA-N 1 0 339.411 2.905 10 5 EFBERO O=C(CC[NH2+][C@@H]1CCOCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001198752726 1295233165 /nfs/dbraw/zinc/23/31/65/1295233165.db2.gz MXELRRHCFZORMM-MRXNPFEDSA-N 1 0 347.415 2.862 10 5 EFBERO O=C(CC[NH2+][C@H]1CCOCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001198752725 1295233876 /nfs/dbraw/zinc/23/38/76/1295233876.db2.gz MXELRRHCFZORMM-INIZCTEOSA-N 1 0 347.415 2.862 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000803859370 1313265169 /nfs/dbraw/zinc/26/51/69/1313265169.db2.gz ZNQDDFNBHXSFAR-AWEZNQCLSA-N 1 0 336.388 2.781 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927110080 1296992752 /nfs/dbraw/zinc/99/27/52/1296992752.db2.gz PUIREGQUYUTSLB-YJBOKZPZSA-N 1 0 347.459 2.759 10 5 EFBERO Cc1ccoc1CC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490246336 1298674102 /nfs/dbraw/zinc/67/41/02/1298674102.db2.gz KJFHVVNDKTYUGL-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000903984362 1313537572 /nfs/dbraw/zinc/53/75/72/1313537572.db2.gz UVBRZSVVTNFJOG-ZYHUDNBSSA-N 1 0 337.729 2.960 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490324443 1298768822 /nfs/dbraw/zinc/76/88/22/1298768822.db2.gz XPJLGOQKGZKULH-UHFFFAOYSA-N 1 0 344.415 2.575 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779914635 1299124616 /nfs/dbraw/zinc/12/46/16/1299124616.db2.gz WJIQWEOVRDUUJM-FNORWQNLSA-N 1 0 347.415 2.925 10 5 EFBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351702 1299673222 /nfs/dbraw/zinc/67/32/22/1299673222.db2.gz SKVUJEKLYXOLTR-DFBGVHRSSA-N 1 0 342.823 2.904 10 5 EFBERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000852358830 1299673681 /nfs/dbraw/zinc/67/36/81/1299673681.db2.gz DLTOFWPGQZIVPO-WFASDCNBSA-N 1 0 334.420 2.828 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591841 1299688557 /nfs/dbraw/zinc/68/85/57/1299688557.db2.gz IGELSDSYXPVQKV-MZMPZRCHSA-N 1 0 336.432 2.795 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000776599374 1299706314 /nfs/dbraw/zinc/70/63/14/1299706314.db2.gz YJBMBNNHGBCLLK-SFHVURJKSA-N 1 0 327.384 2.903 10 5 EFBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C2 ZINC000853542001 1300156851 /nfs/dbraw/zinc/15/68/51/1300156851.db2.gz KOWLOQLQVVPKIE-HDICACEKSA-N 1 0 342.399 2.774 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853748269 1300256997 /nfs/dbraw/zinc/25/69/97/1300256997.db2.gz KRTUIXORDDNXOZ-CYBMUJFWSA-N 1 0 348.403 2.836 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001691740262 1300314785 /nfs/dbraw/zinc/31/47/85/1300314785.db2.gz OMLZVEAILVWLIB-BJHJDKERSA-N 1 0 337.445 2.831 10 5 EFBERO CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000854097235 1300426515 /nfs/dbraw/zinc/42/65/15/1300426515.db2.gz FZTFHZLMTPLGQH-XJKSGUPXSA-N 1 0 334.420 2.782 10 5 EFBERO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222982 1300476222 /nfs/dbraw/zinc/47/62/22/1300476222.db2.gz PZYIUNGRPMFAOF-FDQGKXFDSA-N 1 0 340.427 2.973 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854500530 1300594424 /nfs/dbraw/zinc/59/44/24/1300594424.db2.gz OELOBOMXLZEETP-UHFFFAOYSA-N 1 0 335.379 2.600 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854735836 1300681906 /nfs/dbraw/zinc/68/19/06/1300681906.db2.gz YBPRCHNHWKQFIA-RYBIEJRYSA-N 1 0 343.427 2.942 10 5 EFBERO C/C(=C/C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000855286255 1300890696 /nfs/dbraw/zinc/89/06/96/1300890696.db2.gz NPENUJJIOGUECD-HVCHUGMYSA-N 1 0 331.416 2.987 10 5 EFBERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859284792 1301418560 /nfs/dbraw/zinc/41/85/60/1301418560.db2.gz PSCDHBCTRVFUCH-HNNXBMFYSA-N 1 0 339.395 2.962 10 5 EFBERO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000860057557 1301686867 /nfs/dbraw/zinc/68/68/67/1301686867.db2.gz VFMSAQQZRIOITE-JTQLQIEISA-N 1 0 348.384 2.700 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861358478 1302103869 /nfs/dbraw/zinc/10/38/69/1302103869.db2.gz ZVOMWGXPHKAKIK-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000861753214 1302199909 /nfs/dbraw/zinc/19/99/09/1302199909.db2.gz SEYNSULPBAOLEZ-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000861892558 1302233293 /nfs/dbraw/zinc/23/32/93/1302233293.db2.gz KBIPQJDXFXGVER-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000861892559 1302233540 /nfs/dbraw/zinc/23/35/40/1302233540.db2.gz KBIPQJDXFXGVER-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862793580 1302462124 /nfs/dbraw/zinc/46/21/24/1302462124.db2.gz QCLJDNHUPZYXCT-ATGUSINASA-N 1 0 331.416 2.846 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000794624177 1302867892 /nfs/dbraw/zinc/86/78/92/1302867892.db2.gz SOYOYBMLUGHKRE-VTXSZYRJSA-N 1 0 343.383 2.971 10 5 EFBERO Cc1cc(C)c(Cn2cc([N+](=O)[O-])nc2Br)c(C)[nH+]1 ZINC000865372083 1303231388 /nfs/dbraw/zinc/23/13/88/1303231388.db2.gz MFYZKVKSLHQQKQ-UHFFFAOYSA-N 1 0 325.166 2.922 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865526429 1303294791 /nfs/dbraw/zinc/29/47/91/1303294791.db2.gz REJLFNWDGFKWOV-TXEJJXNPSA-N 1 0 325.384 2.901 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000865587210 1303321675 /nfs/dbraw/zinc/32/16/75/1303321675.db2.gz LZJZTOXHYJWSJK-DTWKUNHWSA-N 1 0 335.330 2.632 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000865587211 1303322372 /nfs/dbraw/zinc/32/23/72/1303322372.db2.gz LZJZTOXHYJWSJK-IUCAKERBSA-N 1 0 335.330 2.632 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865693861 1303368362 /nfs/dbraw/zinc/36/83/62/1303368362.db2.gz RJNKDXXKDBZDAY-GRPXYMBPSA-N 1 0 340.326 2.709 10 5 EFBERO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000865786915 1303399846 /nfs/dbraw/zinc/39/98/46/1303399846.db2.gz VAQIQXCBVHXRDJ-UHFFFAOYSA-N 1 0 344.367 2.973 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865844467 1303425409 /nfs/dbraw/zinc/42/54/09/1303425409.db2.gz CDKZPUKHOIGSNM-JYRVWZFOSA-N 1 0 327.388 2.752 10 5 EFBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000865998481 1303482668 /nfs/dbraw/zinc/48/26/68/1303482668.db2.gz KCUUOMXTZNBQEB-NSHDSACASA-N 1 0 347.337 2.871 10 5 EFBERO C[NH+]1CCC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000866054828 1303504955 /nfs/dbraw/zinc/50/49/55/1303504955.db2.gz JDBMLBCQBIYNFH-UHFFFAOYSA-N 1 0 329.404 2.783 10 5 EFBERO COc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866207280 1303562394 /nfs/dbraw/zinc/56/23/94/1303562394.db2.gz CDOQLQRHXFUMCU-CMPLNLGQSA-N 1 0 325.796 2.787 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@@H]21 ZINC000866205410 1303562438 /nfs/dbraw/zinc/56/24/38/1303562438.db2.gz LMVZAZPGNQUYMS-PWSUYJOCSA-N 1 0 327.331 2.727 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000866207080 1303562565 /nfs/dbraw/zinc/56/25/65/1303562565.db2.gz UZKRXVWGBGYNRP-ZWNOBZJWSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000866206985 1303562981 /nfs/dbraw/zinc/56/29/81/1303562981.db2.gz GYRYZWXDNLKYNF-BXKDBHETSA-N 1 0 330.310 2.539 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@H]21 ZINC000866208857 1303563631 /nfs/dbraw/zinc/56/36/31/1303563631.db2.gz OZBHALXOJMAWPP-ZYHUDNBSSA-N 1 0 327.331 2.727 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209562 1303563810 /nfs/dbraw/zinc/56/38/10/1303563810.db2.gz UBWAWXHKRVUOJH-BLLLJJGKSA-N 1 0 342.399 2.682 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@@H]21 ZINC000866208855 1303563984 /nfs/dbraw/zinc/56/39/84/1303563984.db2.gz OZBHALXOJMAWPP-JQWIXIFHSA-N 1 0 327.331 2.727 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866210227 1303565242 /nfs/dbraw/zinc/56/52/42/1303565242.db2.gz ZSVOFJOGVKIEDP-PWSUYJOCSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866210226 1303565284 /nfs/dbraw/zinc/56/52/84/1303565284.db2.gz ZSVOFJOGVKIEDP-JQWIXIFHSA-N 1 0 340.221 2.888 10 5 EFBERO CCC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411264 1303627093 /nfs/dbraw/zinc/62/70/93/1303627093.db2.gz HUAQQYTYILMZGU-DOTOQJQBSA-N 1 0 335.448 2.871 10 5 EFBERO C[C@H](Cc1ccccc1F)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943793 1304031203 /nfs/dbraw/zinc/03/12/03/1304031203.db2.gz GMJGCLFZLHCTAI-KZULUSFZSA-N 1 0 345.374 2.655 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000867991296 1304064973 /nfs/dbraw/zinc/06/49/73/1304064973.db2.gz NQBYZVYMXZEBGX-QGZVFWFLSA-N 1 0 325.368 2.963 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000868062936 1304103597 /nfs/dbraw/zinc/10/35/97/1304103597.db2.gz PRNYNBRPBZPGGK-UHFFFAOYSA-N 1 0 334.420 2.657 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000868317471 1304239051 /nfs/dbraw/zinc/23/90/51/1304239051.db2.gz KBMWDRRIXOSDRF-UHFFFAOYSA-N 1 0 348.447 2.699 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000868360020 1304260371 /nfs/dbraw/zinc/26/03/71/1304260371.db2.gz GUPJPMKOKZAEQW-AWEZNQCLSA-N 1 0 334.420 2.577 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000868812469 1304487179 /nfs/dbraw/zinc/48/71/79/1304487179.db2.gz FDGJSRLYDIBHNV-INIZCTEOSA-N 1 0 346.431 2.719 10 5 EFBERO CC[C@H](C[NH+](C)C)OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000870550376 1305392426 /nfs/dbraw/zinc/39/24/26/1305392426.db2.gz FRZMCGSVAXCJQH-SNVBAGLBSA-N 1 0 342.417 2.822 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000870566474 1305402595 /nfs/dbraw/zinc/40/25/95/1305402595.db2.gz DVSUBMUPRPCKJA-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870571350 1305404737 /nfs/dbraw/zinc/40/47/37/1305404737.db2.gz YPDRUJWIMBPKCP-JXMROGBWSA-N 1 0 331.416 2.941 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000870570933 1305405025 /nfs/dbraw/zinc/40/50/25/1305405025.db2.gz GEVOZCQYVUYYQX-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870570178 1305405221 /nfs/dbraw/zinc/40/52/21/1305405221.db2.gz KXIRKLFGFAYIIZ-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870570179 1305405358 /nfs/dbraw/zinc/40/53/58/1305405358.db2.gz KXIRKLFGFAYIIZ-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000871151089 1305837788 /nfs/dbraw/zinc/83/77/88/1305837788.db2.gz XOURJUGCFVUYGC-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C/C(=C\C(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000871155788 1305846073 /nfs/dbraw/zinc/84/60/73/1305846073.db2.gz BQBKPPKPLKNRFG-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871157136 1305848879 /nfs/dbraw/zinc/84/88/79/1305848879.db2.gz INAQULCWELANJG-JKSUJKDBSA-N 1 0 331.416 2.641 10 5 EFBERO C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000871156277 1305850287 /nfs/dbraw/zinc/85/02/87/1305850287.db2.gz VADMHSYKYKSSOZ-GFCCVEGCSA-N 1 0 337.395 2.780 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCC1(C)C ZINC000871158091 1305853858 /nfs/dbraw/zinc/85/38/58/1305853858.db2.gz NMDWDLUEOWPRJM-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO CNc1ccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000871355154 1306016888 /nfs/dbraw/zinc/01/68/88/1306016888.db2.gz ABMOSSUGMZPSNI-UHFFFAOYSA-N 1 0 334.420 2.629 10 5 EFBERO CNc1c(C(=O)NC2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000871359863 1306018994 /nfs/dbraw/zinc/01/89/94/1306018994.db2.gz XNQGOWVAUMSPJR-UHFFFAOYSA-N 1 0 334.420 2.629 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801544978 1310496523 /nfs/dbraw/zinc/49/65/23/1310496523.db2.gz XIMOEPNAJJUZEM-DGCLKSJQSA-N 1 0 339.367 2.690 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000749441693 1311029424 /nfs/dbraw/zinc/02/94/24/1311029424.db2.gz GZKIGGOFHHDTJI-LOWQCSRCSA-N 1 0 347.415 2.925 10 5 EFBERO C/C(=C/C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752388336 1311154337 /nfs/dbraw/zinc/15/43/37/1311154337.db2.gz FSORGPCSDDZIOD-SZGZABIGSA-N 1 0 331.416 2.798 10 5 EFBERO Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001226216874 1311632232 /nfs/dbraw/zinc/63/22/32/1311632232.db2.gz MAIDJCQWOLEYEI-INIZCTEOSA-N 1 0 348.447 2.775 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000902952319 1312236371 /nfs/dbraw/zinc/23/63/71/1312236371.db2.gz XAZYETUXOSXQAS-CHWSQXEVSA-N 1 0 338.429 2.537 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccc2c[nH+]cn2c1 ZINC001163459652 1312316888 /nfs/dbraw/zinc/31/68/88/1312316888.db2.gz KQRPGVWFVRMPNX-UHFFFAOYSA-N 1 0 337.314 2.964 10 5 EFBERO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001163481271 1312321933 /nfs/dbraw/zinc/32/19/33/1312321933.db2.gz YXGQXDXEWRTQQT-UHFFFAOYSA-N 1 0 346.431 2.773 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903179547 1312435054 /nfs/dbraw/zinc/43/50/54/1312435054.db2.gz QEMNJJPWHCRWCH-FWDPORAESA-N 1 0 333.310 2.938 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001164124941 1312452342 /nfs/dbraw/zinc/45/23/42/1312452342.db2.gz ROYGLUDNUGPGIP-GOEBONIOSA-N 1 0 344.440 2.557 10 5 EFBERO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164176773 1312462314 /nfs/dbraw/zinc/46/23/14/1312462314.db2.gz FRTLRRMVBIFLIF-GFCCVEGCSA-N 1 0 343.343 2.613 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903211090 1312466057 /nfs/dbraw/zinc/46/60/57/1312466057.db2.gz RACGIYLCJLJJKP-RYUDHWBXSA-N 1 0 337.445 2.836 10 5 EFBERO CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C3)CCC1 ZINC001253538645 1315613517 /nfs/dbraw/zinc/61/35/17/1315613517.db2.gz JHHYOMIBGAMXNI-UHFFFAOYSA-N 1 0 343.427 2.819 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001262731464 1316485892 /nfs/dbraw/zinc/48/58/92/1316485892.db2.gz RPMRNSIABCVTPA-GFCCVEGCSA-N 1 0 343.449 2.531 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263630503 1316552618 /nfs/dbraw/zinc/55/26/18/1316552618.db2.gz OBLWBMUENYOALY-UFGOTCBOSA-N 1 0 338.795 2.710 10 5 EFBERO CC/C=C(\C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001264386080 1316610527 /nfs/dbraw/zinc/61/05/27/1316610527.db2.gz VVIBZUIKXCHEAY-NYCXAXSBSA-N 1 0 331.416 2.936 10 5 EFBERO CC[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001265129628 1316729750 /nfs/dbraw/zinc/72/97/50/1316729750.db2.gz RATLTPGQVXPJSG-FVQHAEBGSA-N 1 0 345.443 2.969 10 5 EFBERO CC(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001265717184 1316865484 /nfs/dbraw/zinc/86/54/84/1316865484.db2.gz DIWSHMMPHHUXGU-QLPKVWCKSA-N 1 0 345.443 2.823 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265720807 1316866190 /nfs/dbraw/zinc/86/61/90/1316866190.db2.gz RZPGLDCQBYYXBI-HAXVYLAESA-N 1 0 341.411 2.664 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CCCC1 ZINC001280464515 1317574171 /nfs/dbraw/zinc/57/41/71/1317574171.db2.gz UEKNSZNIEWJQPH-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001280502240 1317592155 /nfs/dbraw/zinc/59/21/55/1317592155.db2.gz HKBDKESCJUVJDH-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1(CF)CCC1 ZINC001280505310 1317593233 /nfs/dbraw/zinc/59/32/33/1317593233.db2.gz KKRZNPYXQBQDDQ-UHFFFAOYSA-N 1 0 349.406 2.863 10 5 EFBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001332576059 1318995763 /nfs/dbraw/zinc/99/57/63/1318995763.db2.gz SDVAYQZQRACLEY-UHFFFAOYSA-N 1 0 327.469 2.648 10 5 EFBERO CC(C)(F)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001319331538 1328855324 /nfs/dbraw/zinc/85/53/24/1328855324.db2.gz LCRAMUWWSPEQJC-UHFFFAOYSA-N 1 0 337.395 2.862 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001316637309 1320739193 /nfs/dbraw/zinc/73/91/93/1320739193.db2.gz KCVWLRBLAUGOPC-CTYIDZIISA-N 1 0 331.416 2.769 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC001290961696 1321972359 /nfs/dbraw/zinc/97/23/59/1321972359.db2.gz YBRYJCMBASVMJW-UHFFFAOYSA-N 1 0 325.796 2.852 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001292151825 1322040928 /nfs/dbraw/zinc/04/09/28/1322040928.db2.gz WDMPHRLWHYBMCV-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC001292157023 1322040956 /nfs/dbraw/zinc/04/09/56/1322040956.db2.gz LYVOZJOBWZTWOK-UHFFFAOYSA-N 1 0 348.447 2.953 10 5 EFBERO C[NH+](C)C1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC001295670349 1322746890 /nfs/dbraw/zinc/74/68/90/1322746890.db2.gz MEDQJWVRZOSAKN-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)c2c1 ZINC001306923691 1324732098 /nfs/dbraw/zinc/73/20/98/1324732098.db2.gz DZGHXDJPMOWNFE-ZDUSSCGKSA-N 1 0 346.431 2.962 10 5 EFBERO CC[N@H+](CCC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC001307078939 1324739706 /nfs/dbraw/zinc/73/97/06/1324739706.db2.gz NSDJLFNSDSSUQM-UHFFFAOYSA-N 1 0 335.452 2.667 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001307166039 1324746949 /nfs/dbraw/zinc/74/69/49/1324746949.db2.gz YKZOIIQKLBDLDJ-JKSUJKDBSA-N 1 0 347.415 2.975 10 5 EFBERO C[C@@H](O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001307454382 1324768872 /nfs/dbraw/zinc/76/88/72/1324768872.db2.gz SKZOVLSHEPTBGA-GHMZBOCLSA-N 1 0 347.337 2.505 10 5 EFBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307632499 1324774563 /nfs/dbraw/zinc/77/45/63/1324774563.db2.gz XFJYROFNNYSUKW-WDEREUQCSA-N 1 0 342.237 2.882 10 5 EFBERO C[C@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001307999259 1324788979 /nfs/dbraw/zinc/78/89/79/1324788979.db2.gz JCCDDGMBQZPTKX-QGZVFWFLSA-N 1 0 345.355 2.543 10 5 EFBERO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC001308028671 1324789769 /nfs/dbraw/zinc/78/97/69/1324789769.db2.gz GAPPUBYZESYEBC-ZFWWWQNUSA-N 1 0 346.387 2.940 10 5 EFBERO COc1ccc(OCC[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308135025 1324795931 /nfs/dbraw/zinc/79/59/31/1324795931.db2.gz VMAMRQWAHQMQFE-BLLLJJGKSA-N 1 0 338.429 2.667 10 5 EFBERO CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001313354290 1325013601 /nfs/dbraw/zinc/01/36/01/1325013601.db2.gz YNEIZORMYGGCEO-GJZGRUSLSA-N 1 0 348.447 2.824 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C(F)F)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316824124 1325086808 /nfs/dbraw/zinc/08/68/08/1325086808.db2.gz FVPYUQOPZZAUKW-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CC(F)(F)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317115520 1325585976 /nfs/dbraw/zinc/58/59/76/1325585976.db2.gz QUHSYVDRVFAJKE-BETUJISGSA-N 1 0 341.358 2.767 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001321042276 1329335607 /nfs/dbraw/zinc/33/56/07/1329335607.db2.gz RXVKLAJXPPGUML-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO CCc1[nH]ccc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001321045485 1329335934 /nfs/dbraw/zinc/33/59/34/1329335934.db2.gz VLZMIRNUMXOTEH-ARJAWSKDSA-N 1 0 342.399 2.561 10 5 EFBERO CCC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001317211851 1327753915 /nfs/dbraw/zinc/75/39/15/1327753915.db2.gz HFRSSZGOIRYHCD-VQFNDLOPSA-N 1 0 345.443 2.968 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001317563589 1328147377 /nfs/dbraw/zinc/14/73/77/1328147377.db2.gz FYLUMSFMLOLGLN-UHFFFAOYSA-N 1 0 339.442 2.888 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001317607031 1328187476 /nfs/dbraw/zinc/18/74/76/1328187476.db2.gz CAHMGRRAHSXIKP-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1c[nH]cc1C1CC1 ZINC001317646655 1328231799 /nfs/dbraw/zinc/23/17/99/1328231799.db2.gz OLQPBQSQBLSCBA-UHFFFAOYSA-N 1 0 348.428 2.724 10 5 EFBERO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC001322589359 1329470205 /nfs/dbraw/zinc/47/02/05/1329470205.db2.gz QBAOOLWGGQFOSH-UHFFFAOYSA-N 1 0 326.356 2.838 10 5 EFBERO CC(C)(C)/C=C/C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001323406241 1329541201 /nfs/dbraw/zinc/54/12/01/1329541201.db2.gz OFQZATYSHSNIMV-CMDGGOBGSA-N 1 0 331.416 2.936 10 5 EFBERO C=C/C(C)=C/CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323516056 1329548698 /nfs/dbraw/zinc/54/86/98/1329548698.db2.gz HJNHQSOYIYRYMJ-LNKIKWGQSA-N 1 0 329.400 2.856 10 5 EFBERO CCCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001323709054 1329563914 /nfs/dbraw/zinc/56/39/14/1329563914.db2.gz TVNLBCZTPKQEBN-HZPDHXFCSA-N 1 0 325.453 2.593 10 5 EFBERO C[NH+](C)C[C@H]1CCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001324251697 1329611301 /nfs/dbraw/zinc/61/13/01/1329611301.db2.gz QRTVLVUQGUKLNC-SNVBAGLBSA-N 1 0 335.795 2.722 10 5 EFBERO CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001326512453 1330307658 /nfs/dbraw/zinc/30/76/58/1330307658.db2.gz GQJYGRHJQVNLQJ-KLHDSHLOSA-N 1 0 339.480 2.743 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC001327643022 1330503615 /nfs/dbraw/zinc/50/36/15/1330503615.db2.gz OAMNHWTXZJFMBC-CYBMUJFWSA-N 1 0 335.404 2.834 10 5 EFBERO CC/C=C/CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001328503355 1330598118 /nfs/dbraw/zinc/59/81/18/1330598118.db2.gz JWONULZQVXLQGX-MULDZMIYSA-N 1 0 349.475 2.713 10 5 EFBERO Cc1cccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001329818603 1330739828 /nfs/dbraw/zinc/73/98/28/1330739828.db2.gz LYJZDNHBCVIRLD-IAGOWNOFSA-N 1 0 345.443 2.569 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001329988101 1330759226 /nfs/dbraw/zinc/75/92/26/1330759226.db2.gz JFMJKQIMRMJUKE-UHFFFAOYSA-N 1 0 346.431 2.727 10 5 EFBERO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001335941887 1331418829 /nfs/dbraw/zinc/41/88/29/1331418829.db2.gz KTRCKGVLAGKJKN-CABZTGNLSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340992769 1332225701 /nfs/dbraw/zinc/22/57/01/1332225701.db2.gz VZNBBKQVWKYUMA-COXVUDFISA-N 1 0 331.416 2.689 10 5 EFBERO C[NH+](C)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001341375761 1332255188 /nfs/dbraw/zinc/25/51/88/1332255188.db2.gz OMQHLMZTFYHRNW-OAHLLOKOSA-N 1 0 339.823 2.637 10 5 EFBERO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC001344876631 1332490680 /nfs/dbraw/zinc/49/06/80/1332490680.db2.gz YVNSSPBBQWUJPF-OAHLLOKOSA-N 1 0 332.404 2.995 10 5 EFBERO COc1ccc(NC(=O)N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001345756036 1332571616 /nfs/dbraw/zinc/57/16/16/1332571616.db2.gz WXFISGBBPBRYIT-UHFFFAOYSA-N 1 0 338.408 2.655 10 5 EFBERO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC001348111520 1332800928 /nfs/dbraw/zinc/80/09/28/1332800928.db2.gz ZNNFGECBTOMXDA-GJZGRUSLSA-N 1 0 345.403 2.511 10 5 EFBERO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001348348684 1332827637 /nfs/dbraw/zinc/82/76/37/1332827637.db2.gz GBYMXDQFKRGXEE-GFCCVEGCSA-N 1 0 335.379 2.823 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cccc(Cl)c1[N+](=O)[O-] ZINC001348899226 1332882372 /nfs/dbraw/zinc/88/23/72/1332882372.db2.gz IJWCHNBQKNXRCF-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO O=C(OC[C@@]12CC[N@H+](C1)CCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001348926542 1332884512 /nfs/dbraw/zinc/88/45/12/1332884512.db2.gz BPPAYGGIRQLWJE-BQFCYCMXSA-N 1 0 330.384 2.727 10 5 EFBERO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349384364 1332945727 /nfs/dbraw/zinc/94/57/27/1332945727.db2.gz RSYQGUSEFUIBNV-LBPRGKRZSA-N 1 0 335.379 2.823 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001349960594 1333019143 /nfs/dbraw/zinc/01/91/43/1333019143.db2.gz SWEXQLNIGDSUIY-YNEHKIRRSA-N 1 0 332.404 2.695 10 5 EFBERO CC(C)(C(=O)NCC12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC001350122939 1333037697 /nfs/dbraw/zinc/03/76/97/1333037697.db2.gz ZPFZJDZAMATNQP-UHFFFAOYSA-N 1 0 345.443 2.865 10 5 EFBERO CNc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001350603227 1333102460 /nfs/dbraw/zinc/10/24/60/1333102460.db2.gz PLEFFZCZDBAUBD-ZDUSSCGKSA-N 1 0 346.431 2.725 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C3(C(F)(F)F)CC[NH2+]CC3)n2)s1 ZINC001350667022 1333111402 /nfs/dbraw/zinc/11/14/02/1333111402.db2.gz IUNFKTQFLDLKHW-UHFFFAOYSA-N 1 0 348.306 2.890 10 5 EFBERO CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001472262647 1334125373 /nfs/dbraw/zinc/12/53/73/1334125373.db2.gz AVFPNNJWNVCJPW-UHFFFAOYSA-N 1 0 346.431 2.596 10 5 EFBERO C[C@H](C1CC1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001354604325 1334404591 /nfs/dbraw/zinc/40/45/91/1334404591.db2.gz PVWOSHLQEHDTSX-GFCCVEGCSA-N 1 0 329.404 2.782 10 5 EFBERO C[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001354687013 1334460460 /nfs/dbraw/zinc/46/04/60/1334460460.db2.gz BLEJRNMTMWWSKB-ZDUSSCGKSA-N 1 0 337.395 2.515 10 5 EFBERO CCCC[N@H+](CCOC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478087 1334736728 /nfs/dbraw/zinc/73/67/28/1334736728.db2.gz GBDFQPDIJUMKAI-QGZVFWFLSA-N 1 0 349.431 2.617 10 5 EFBERO CC[C@@H]1[C@H](C)CC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483894 1334740830 /nfs/dbraw/zinc/74/08/30/1334740830.db2.gz AWRBDYOZZYYZMW-XOKHGSTOSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@H]1CSCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485844 1334742267 /nfs/dbraw/zinc/74/22/67/1334742267.db2.gz YTLWWNNWBFKUKL-CZUORRHYSA-N 1 0 349.456 2.553 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000848487430 1334742977 /nfs/dbraw/zinc/74/29/77/1334742977.db2.gz RYBKUEAYRUDKJP-GOSISDBHSA-N 1 0 342.399 2.918 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000848487432 1334743245 /nfs/dbraw/zinc/74/32/45/1334743245.db2.gz RYBKUEAYRUDKJP-SFHVURJKSA-N 1 0 342.399 2.918 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569308 1334798825 /nfs/dbraw/zinc/79/88/25/1334798825.db2.gz DGBNRUXPLGQHAP-BBRMVZONSA-N 1 0 345.399 2.890 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848645651 1334824123 /nfs/dbraw/zinc/82/41/23/1334824123.db2.gz UUCWNETZLWXBNO-CQSZACIVSA-N 1 0 335.404 2.659 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001440030859 1389382525 /nfs/dbraw/zinc/38/25/25/1389382525.db2.gz BIWUTKSLGPZHHZ-UHFFFAOYSA-N 1 0 333.432 2.982 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001457079394 1394958703 /nfs/dbraw/zinc/95/87/03/1394958703.db2.gz BDRMUTAKZRRMAG-RHSMWYFYSA-N 1 0 346.431 2.512 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001457408262 1395100056 /nfs/dbraw/zinc/10/00/56/1395100056.db2.gz CKFUZPZLIBYBKR-JSGCOSHPSA-N 1 0 337.445 2.628 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001457408267 1395100544 /nfs/dbraw/zinc/10/05/44/1395100544.db2.gz CKFUZPZLIBYBKR-OCCSQVGLSA-N 1 0 337.445 2.628 10 5 EFBERO C[C@H]1CCC[N@H+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001458114414 1395409738 /nfs/dbraw/zinc/40/97/38/1395409738.db2.gz SYHUGWQFCBWPJS-LBPRGKRZSA-N 1 0 326.828 2.989 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001458457853 1395473543 /nfs/dbraw/zinc/47/35/43/1395473543.db2.gz XUJZGENYEFOQSG-VTBIRBAPSA-N 1 0 347.415 2.922 10 5 EFBERO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001458470193 1395475460 /nfs/dbraw/zinc/47/54/60/1395475460.db2.gz SAKKERKPUJVICS-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO CCO[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C[NH+](C)C ZINC001458589190 1395513044 /nfs/dbraw/zinc/51/30/44/1395513044.db2.gz BKVVTGFOEPZERU-JTQLQIEISA-N 1 0 335.326 2.992 10 5 EFBERO CC(C)Oc1nc(N2CC[NH2+]C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001458635868 1395532133 /nfs/dbraw/zinc/53/21/33/1395532133.db2.gz WIZVMLHNLXRIDB-UHFFFAOYSA-N 1 0 334.420 2.890 10 5 EFBERO CC(C)[N@@H+]1CCCC[C@@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001459282514 1395786094 /nfs/dbraw/zinc/78/60/94/1395786094.db2.gz KPXWJVCQRHGTNH-CYBMUJFWSA-N 1 0 330.392 2.511 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC001459841846 1395986638 /nfs/dbraw/zinc/98/66/38/1395986638.db2.gz IDPFOSZBMYNQPA-LLVKDONJSA-N 1 0 327.340 2.891 10 5 EFBERO CC(C)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC001460001398 1395996081 /nfs/dbraw/zinc/99/60/81/1395996081.db2.gz WQXNLJBFUZAKBO-OAHLLOKOSA-N 1 0 349.431 2.552 10 5 EFBERO C[C@@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001460619681 1396238864 /nfs/dbraw/zinc/23/88/64/1396238864.db2.gz IXFQAYUNHBSYKV-INIZCTEOSA-N 1 0 349.318 2.639 10 5 EFBERO Cc1c(C(=O)Nc2ccn3ccnc3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460688672 1396243202 /nfs/dbraw/zinc/24/32/02/1396243202.db2.gz MCHINZKHPXBAQV-UHFFFAOYSA-N 1 0 341.283 2.711 10 5 EFBERO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001460736118 1396248691 /nfs/dbraw/zinc/24/86/91/1396248691.db2.gz OZEFTZOMWOMVTP-JTQLQIEISA-N 1 0 347.350 2.512 10 5 EFBERO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)c(C)c1 ZINC001460783425 1396256510 /nfs/dbraw/zinc/25/65/10/1396256510.db2.gz AIJRYEITZGEPDW-UHFFFAOYSA-N 1 0 346.431 2.865 10 5 EFBERO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC001460983755 1396277990 /nfs/dbraw/zinc/27/79/90/1396277990.db2.gz VZQORESTAZNGKH-AWEZNQCLSA-N 1 0 341.452 2.670 10 5 EFBERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001466060560 1396735195 /nfs/dbraw/zinc/73/51/95/1396735195.db2.gz HQDLPENMPCEMCD-GFCCVEGCSA-N 1 0 339.823 2.956 10 5 EFBERO CCOC(=O)C[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001473411101 1397301214 /nfs/dbraw/zinc/30/12/14/1397301214.db2.gz QNOLTIIGDIAFTF-QGZVFWFLSA-N 1 0 338.404 2.931 10 5 EFBERO CO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001473485522 1397304852 /nfs/dbraw/zinc/30/48/52/1397304852.db2.gz XZKAZDDQQNCERL-CHWSQXEVSA-N 1 0 332.360 2.548 10 5 EFBERO COC(=O)[C@]12C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC001473592448 1397313082 /nfs/dbraw/zinc/31/30/82/1397313082.db2.gz ORIIRYWSPVQEFZ-RDTXWAMCSA-N 1 0 348.399 2.639 10 5 EFBERO Nc1nnc([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)o1 ZINC001473681955 1397320434 /nfs/dbraw/zinc/32/04/34/1397320434.db2.gz QNZGCKSSBBQNOA-JTQLQIEISA-N 1 0 337.767 2.593 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001473786447 1397331894 /nfs/dbraw/zinc/33/18/94/1397331894.db2.gz CFFIRMRGQQDSCN-UHFFFAOYSA-N 1 0 347.415 2.517 10 5 EFBERO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001473862031 1397341033 /nfs/dbraw/zinc/34/10/33/1397341033.db2.gz BEZDPXZRPKHFPT-QLFBSQMISA-N 1 0 334.416 2.845 10 5 EFBERO O=C(CC[NH2+]C1([C@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001473890104 1397345546 /nfs/dbraw/zinc/34/55/46/1397345546.db2.gz STRKDHHBCPTEFQ-OAHLLOKOSA-N 1 0 333.388 2.615 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCC1 ZINC001479304435 1397673698 /nfs/dbraw/zinc/67/36/98/1397673698.db2.gz BDWNHFNVTLUMFW-GASCZTMLSA-N 1 0 349.406 2.862 10 5 EFBERO CC1(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001479309343 1397676479 /nfs/dbraw/zinc/67/64/79/1397676479.db2.gz LVINIIRVIRXULM-GASCZTMLSA-N 1 0 331.416 2.769 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001479376823 1397707253 /nfs/dbraw/zinc/70/72/53/1397707253.db2.gz JEWPHGGMACFVKL-SHTZXODSSA-N 1 0 349.406 2.862 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479393401 1397713517 /nfs/dbraw/zinc/71/35/17/1397713517.db2.gz QELSOUUODXFGPC-JOCQHMNTSA-N 1 0 341.358 2.625 10 5 EFBERO CC[N@H+](CCCNC(=O)c1[nH]ccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001479841821 1397940421 /nfs/dbraw/zinc/94/04/21/1397940421.db2.gz IIILUDGRSMATBF-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001493365416 1398644842 /nfs/dbraw/zinc/64/48/42/1398644842.db2.gz HYLOHNDHFDRBLY-UHFFFAOYSA-N 1 0 342.399 2.626 10 5 EFBERO Cc1cccc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001493679276 1398802468 /nfs/dbraw/zinc/80/24/68/1398802468.db2.gz PLEUCGHWLMUJRS-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCCC1 ZINC001493859255 1398930531 /nfs/dbraw/zinc/93/05/31/1398930531.db2.gz OSQHBDQYKWOHDF-IAGOWNOFSA-N 1 0 339.480 2.839 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C1CCC1 ZINC001495887984 1400333431 /nfs/dbraw/zinc/33/34/31/1400333431.db2.gz QSTBJVZDIFUNJT-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CN(CCN(C)C(=O)C(C1CC1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001496818962 1401007219 /nfs/dbraw/zinc/00/72/19/1401007219.db2.gz OCFIBOOXSOIGFI-UHFFFAOYSA-N 1 0 345.443 2.921 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CC2)C1 ZINC001497452707 1401385203 /nfs/dbraw/zinc/38/52/03/1401385203.db2.gz KWZXPWAVLHPGMZ-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO Cc1occc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497525446 1401435840 /nfs/dbraw/zinc/43/58/40/1401435840.db2.gz IGAKDOVVEOESQQ-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO Cc1occc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497525444 1401436259 /nfs/dbraw/zinc/43/62/59/1401436259.db2.gz IGAKDOVVEOESQQ-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccoc1Cl ZINC001499212714 1402523360 /nfs/dbraw/zinc/52/33/60/1402523360.db2.gz UGLGOXPRYQWRJJ-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)[nH]1 ZINC001499344671 1402575085 /nfs/dbraw/zinc/57/50/85/1402575085.db2.gz HPRMCVFICAAYEZ-UHFFFAOYSA-N 1 0 348.790 2.629 10 5 EFBERO CC(C)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001501950142 1403899826 /nfs/dbraw/zinc/89/98/26/1403899826.db2.gz FQGBUSDBBSYMCC-IAGOWNOFSA-N 1 0 345.443 2.604 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001557581710 1415132593 /nfs/dbraw/zinc/13/25/93/1415132593.db2.gz WAEMJIYANNPRFM-QWHCGFSZSA-N 1 0 334.420 2.512 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001557695165 1415138863 /nfs/dbraw/zinc/13/88/63/1415138863.db2.gz QIXRRNNTGGGFLG-LSDHHAIUSA-N 1 0 335.379 2.645 10 5 EFBERO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])cnn3C)c(C)c2)CC1 ZINC001559049868 1415221372 /nfs/dbraw/zinc/22/13/72/1415221372.db2.gz ZHGUCGNWHNYQKK-UHFFFAOYSA-N 1 0 344.419 2.522 10 5 EFBERO CC(C)[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCC1 ZINC001559062118 1415222340 /nfs/dbraw/zinc/22/23/40/1415222340.db2.gz MEFMYYWRLXNRMF-SNVBAGLBSA-N 1 0 349.357 2.879 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCCC3CC[NH+](C)CC3)c2c1 ZINC001559088590 1415223373 /nfs/dbraw/zinc/22/33/73/1415223373.db2.gz FCYVYRZQEQRLLL-UHFFFAOYSA-N 1 0 344.415 2.717 10 5 EFBERO CCC[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001559150660 1415226826 /nfs/dbraw/zinc/22/68/26/1415226826.db2.gz FVGYRFXLSKGQHA-MRXNPFEDSA-N 1 0 343.431 2.819 10 5 EFBERO COc1cc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001559227412 1415231462 /nfs/dbraw/zinc/23/14/62/1415231462.db2.gz OZOGDRJWLIYEMK-MNOVXSKESA-N 1 0 325.796 2.645 10 5 EFBERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559556774 1415250450 /nfs/dbraw/zinc/25/04/50/1415250450.db2.gz JBNNJIVUMIELMO-LSDHHAIUSA-N 1 0 346.387 2.770 10 5 EFBERO C[C@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001559595148 1415251591 /nfs/dbraw/zinc/25/15/91/1415251591.db2.gz ZONRCJZNHUIHOJ-SFHVURJKSA-N 1 0 330.359 3.000 10 5 EFBERO COC(=O)CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001560116699 1415263667 /nfs/dbraw/zinc/26/36/67/1415263667.db2.gz GXXGXMLKLDAXNA-GFCCVEGCSA-N 1 0 346.387 2.636 10 5 EFBERO COc1ccc(C[NH+]2CCC(c3cncn3C)CC2)cc1[N+](=O)[O-] ZINC001560232863 1415269271 /nfs/dbraw/zinc/26/92/71/1415269271.db2.gz JYETWIVUMWJACE-UHFFFAOYSA-N 1 0 330.388 2.717 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001560231482 1415269918 /nfs/dbraw/zinc/26/99/18/1415269918.db2.gz UTMNUCKXFLGXQI-LJQANCHMSA-N 1 0 342.395 2.957 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001560232076 1415269938 /nfs/dbraw/zinc/26/99/38/1415269938.db2.gz LLJKDIMZSRJCLP-INIZCTEOSA-N 1 0 347.415 2.781 10 5 EFBERO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376602 1415376178 /nfs/dbraw/zinc/37/61/78/1415376178.db2.gz OHYQCDOWORCCHT-JKSUJKDBSA-N 1 0 334.420 2.829 10 5 EFBERO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565610263 1415407121 /nfs/dbraw/zinc/40/71/21/1415407121.db2.gz QHJPJBFGNSAKPV-NSHDSACASA-N 1 0 327.812 2.637 10 5 EFBERO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001565839943 1415429610 /nfs/dbraw/zinc/42/96/10/1415429610.db2.gz UFDKFRDEGNYRMN-GFCCVEGCSA-N 1 0 337.807 2.806 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001566091211 1415511433 /nfs/dbraw/zinc/51/14/33/1415511433.db2.gz JLKAOKFIHGIJQX-AWEZNQCLSA-N 1 0 349.431 2.940 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001566091212 1415511970 /nfs/dbraw/zinc/51/19/70/1415511970.db2.gz JLKAOKFIHGIJQX-CQSZACIVSA-N 1 0 349.431 2.940 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001566167056 1415532993 /nfs/dbraw/zinc/53/29/93/1415532993.db2.gz UBPOVRKLGUPGTM-DGCLKSJQSA-N 1 0 342.399 2.543 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001566167058 1415533255 /nfs/dbraw/zinc/53/32/55/1415533255.db2.gz UBPOVRKLGUPGTM-YPMHNXCESA-N 1 0 342.399 2.543 10 5 EFBERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001566423997 1415545899 /nfs/dbraw/zinc/54/58/99/1415545899.db2.gz CNPDKTLXSPMGFE-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001566538302 1415625380 /nfs/dbraw/zinc/62/53/80/1415625380.db2.gz WRPQMZLJRKLXMU-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC001566540221 1415626861 /nfs/dbraw/zinc/62/68/61/1415626861.db2.gz CVMLAYOAQPWNTQ-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001566783430 1415774194 /nfs/dbraw/zinc/77/41/94/1415774194.db2.gz GAHJFNSRMMFXBQ-XXPUEXPNSA-N 1 0 335.429 2.749 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001566974978 1415884450 /nfs/dbraw/zinc/88/44/50/1415884450.db2.gz BFDOILZEWJKHSY-VZUUALJRSA-N 1 0 341.411 2.664 10 5 EFBERO CC(C)(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001567181974 1415975212 /nfs/dbraw/zinc/97/52/12/1415975212.db2.gz WEMBNLYGKZLZNC-IAGOWNOFSA-N 1 0 347.459 2.536 10 5 EFBERO C[N@H+](CCNC(=O)c1ccccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001567269415 1416048375 /nfs/dbraw/zinc/04/83/75/1416048375.db2.gz DWTOVPNDNCNUNX-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO Cc1cc(F)ccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567592992 1416201895 /nfs/dbraw/zinc/20/18/95/1416201895.db2.gz MCAARAZKFDXSKO-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO O=C(CCCC1CC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001690285690 1417183139 /nfs/dbraw/zinc/18/31/39/1417183139.db2.gz CJJJKFITMPACJZ-WKILWMFISA-N 1 0 331.416 2.912 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001690326513 1417191312 /nfs/dbraw/zinc/19/13/12/1417191312.db2.gz GAHJFNSRMMFXBQ-PGXSSNFUSA-N 1 0 335.429 2.749 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC001690356800 1417195174 /nfs/dbraw/zinc/19/51/74/1417195174.db2.gz VXPZKMSRIKYHKO-AOOOYVTPSA-N 1 0 347.387 2.684 10 5 EFBERO CC/C(C)=C/C(=O)N(CC)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001699180305 1417410494 /nfs/dbraw/zinc/41/04/94/1417410494.db2.gz FORWLQLXXFSMTO-XYOKQWHBSA-N 1 0 325.434 2.951 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c(C)cc1C ZINC001699186882 1417411555 /nfs/dbraw/zinc/41/15/55/1417411555.db2.gz CKZADNJOXCENDE-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1(CCF)CC1 ZINC001700134097 1417578630 /nfs/dbraw/zinc/57/86/30/1417578630.db2.gz KZZATXAGRPDYDR-UHFFFAOYSA-N 1 0 349.406 2.863 10 5 EFBERO Cc1cccnc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001707370878 1418234509 /nfs/dbraw/zinc/23/45/09/1418234509.db2.gz FJTZVSJPGGPOTJ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO O=C(CCC(F)(F)F)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001713190227 1418368120 /nfs/dbraw/zinc/36/81/20/1418368120.db2.gz SCOHXEKLISDQLL-TXEJJXNPSA-N 1 0 345.321 2.674 10 5 EFBERO CC(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001713280210 1418449864 /nfs/dbraw/zinc/44/98/64/1418449864.db2.gz JQFCVJIVZIOGFQ-HWWDLCQESA-N 1 0 331.416 2.577 10 5 EFBERO CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001713280239 1418450379 /nfs/dbraw/zinc/45/03/79/1418450379.db2.gz MUXDXJDAIXPPFR-QLPKVWCKSA-N 1 0 331.416 2.577 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccoc1Cl ZINC001713586962 1418562871 /nfs/dbraw/zinc/56/28/71/1418562871.db2.gz ANLJNZMLAVIGDR-UHFFFAOYSA-N 1 0 343.792 2.765 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C(C)(F)F ZINC001714785750 1418638218 /nfs/dbraw/zinc/63/82/18/1418638218.db2.gz JYPWPGNJBLLNOA-UHFFFAOYSA-N 1 0 349.403 2.886 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716289956 1418753740 /nfs/dbraw/zinc/75/37/40/1418753740.db2.gz NUWSDIFYRMDQKK-ARJAWSKDSA-N 1 0 343.383 2.880 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc[nH]1 ZINC001716539569 1418906789 /nfs/dbraw/zinc/90/67/89/1418906789.db2.gz HUHNYJAVBVEWHN-WAYWQWQTSA-N 1 0 348.428 2.636 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc[nH]1 ZINC001716539568 1418906975 /nfs/dbraw/zinc/90/69/75/1418906975.db2.gz HUHNYJAVBVEWHN-AATRIKPKSA-N 1 0 348.428 2.636 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC=CC1 ZINC001717205921 1419265934 /nfs/dbraw/zinc/26/59/34/1419265934.db2.gz YYEZUVVNWKYCFI-UHFFFAOYSA-N 1 0 331.416 2.841 10 5 EFBERO CC/C=C(/C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001717636895 1419482432 /nfs/dbraw/zinc/48/24/32/1419482432.db2.gz HJHFHKRIKQQYPJ-KRQWNERDSA-N 1 0 337.445 2.997 10 5 EFBERO CC/C(C)=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001717639274 1419483368 /nfs/dbraw/zinc/48/33/68/1419483368.db2.gz HIGJCCZPBHJLCL-SENXGGKJSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CC2(CC2)C1 ZINC001724792980 1425015507 /nfs/dbraw/zinc/01/55/07/1425015507.db2.gz DYXDXXYJOWJSKH-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccncc1 ZINC001724841181 1425055691 /nfs/dbraw/zinc/05/56/91/1425055691.db2.gz RLYWYHJNOIRZEN-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC=CC1 ZINC001724847159 1425064329 /nfs/dbraw/zinc/06/43/29/1425064329.db2.gz MMTVOJTZJLLILC-UHFFFAOYSA-N 1 0 331.416 2.841 10 5 EFBERO CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001725725219 1425797922 /nfs/dbraw/zinc/79/79/22/1425797922.db2.gz JIKHHWYIRXZVBX-UHFFFAOYSA-N 1 0 344.415 2.906 10 5 EFBERO C[NH+](C)C1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000234244811 714199424 /nfs/dbraw/zinc/19/94/24/714199424.db2.gz ILINFGAYCXDUNP-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264787 715210503 /nfs/dbraw/zinc/21/05/03/715210503.db2.gz TVHBTKJNGMJBOH-KDOFPFPSSA-N 1 0 344.415 2.837 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000727713122 724387494 /nfs/dbraw/zinc/38/74/94/724387494.db2.gz URDLGDVBYWWJBR-UHFFFAOYSA-N 1 0 345.265 2.706 10 5 EFBERO CC1(C)COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000313018916 715556279 /nfs/dbraw/zinc/55/62/79/715556279.db2.gz KFNGHXQHELNHPJ-NSHDSACASA-N 1 0 329.194 2.872 10 5 EFBERO C[C@H]1C[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209440 716777875 /nfs/dbraw/zinc/77/78/75/716777875.db2.gz AOTNWHSPRHCVDL-GXFFZTMASA-N 1 0 342.237 2.930 10 5 EFBERO FC(F)Oc1ccc(Br)cc1C[N+]12CCN(CC1)CC2 ZINC000063774608 717132326 /nfs/dbraw/zinc/13/23/26/717132326.db2.gz SKKJLWWKRXLEMJ-UHFFFAOYSA-N 1 0 348.211 2.697 10 5 EFBERO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000235371599 717341734 /nfs/dbraw/zinc/34/17/34/717341734.db2.gz KMQYZACFZRUWMT-MFKMUULPSA-N 1 0 342.237 2.739 10 5 EFBERO C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000925762992 717350135 /nfs/dbraw/zinc/35/01/35/717350135.db2.gz PTJOXLHUIDUNDN-ZWNOBZJWSA-N 1 0 342.237 2.978 10 5 EFBERO Cc1cc(Cl)c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892767732 719145990 /nfs/dbraw/zinc/14/59/90/719145990.db2.gz ZMKBAHXJBZRQOT-MRXNPFEDSA-N 1 0 337.807 2.771 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000893016628 719459745 /nfs/dbraw/zinc/45/97/45/719459745.db2.gz ZLQOTMRJZAOUIN-ZIAGYGMSSA-N 1 0 349.431 2.938 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893025471 719477253 /nfs/dbraw/zinc/47/72/53/719477253.db2.gz KTOQIRHKSFKGJE-GJZGRUSLSA-N 1 0 349.431 2.695 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893027157 719490717 /nfs/dbraw/zinc/49/07/17/719490717.db2.gz WADLIUPRDVBPLK-GDBMZVCRSA-N 1 0 333.432 2.859 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893027160 719490774 /nfs/dbraw/zinc/49/07/74/719490774.db2.gz WADLIUPRDVBPLK-ZBFHGGJFSA-N 1 0 333.432 2.859 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261611680 719752981 /nfs/dbraw/zinc/75/29/81/719752981.db2.gz BXTFLVGSXHOUEG-WBVHZDCISA-N 1 0 329.375 2.908 10 5 EFBERO CC[N@@H+]1CC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893874003 720136294 /nfs/dbraw/zinc/13/62/94/720136294.db2.gz TVPIBGGMCIGAFW-NSHDSACASA-N 1 0 343.836 2.551 10 5 EFBERO C[C@@H]([NH3+])CN(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000312452490 720512953 /nfs/dbraw/zinc/51/29/53/720512953.db2.gz YVKNESNYZGJMOJ-MRVPVSSYSA-N 1 0 339.193 2.689 10 5 EFBERO CCc1[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000894242176 721406753 /nfs/dbraw/zinc/40/67/53/721406753.db2.gz UMMBGPFSOVJEQB-UHFFFAOYSA-N 1 0 331.372 2.604 10 5 EFBERO C[C@@H]1[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434949 722862715 /nfs/dbraw/zinc/86/27/15/722862715.db2.gz FQVVRWWUUVCLCC-MWLCHTKSSA-N 1 0 343.836 2.549 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928438759 722871792 /nfs/dbraw/zinc/87/17/92/722871792.db2.gz MPACFWRWIXDRHU-BXUZGUMPSA-N 1 0 337.445 2.918 10 5 EFBERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000721824285 723464039 /nfs/dbraw/zinc/46/40/39/723464039.db2.gz RVOJYALAVGZMOW-LLVKDONJSA-N 1 0 343.221 2.950 10 5 EFBERO C[C@@](CO)([NH2+]Cc1cccc2c1NCCC2)c1cccc([N+](=O)[O-])c1 ZINC000895445251 724137222 /nfs/dbraw/zinc/13/72/22/724137222.db2.gz YJURXHZLCPAIIJ-IBGZPJMESA-N 1 0 341.411 2.950 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3nccs3)C1)OCCO2 ZINC000895581965 724212731 /nfs/dbraw/zinc/21/27/31/724212731.db2.gz DMXXEALQQJTAOF-NSHDSACASA-N 1 0 347.396 2.812 10 5 EFBERO C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)OCCc2ccccc21 ZINC000895638395 724237910 /nfs/dbraw/zinc/23/79/10/724237910.db2.gz FLKIJGFKXDYOPJ-JMLCCBQJSA-N 1 0 342.399 2.573 10 5 EFBERO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000895755841 724299531 /nfs/dbraw/zinc/29/95/31/724299531.db2.gz BZPGDXKOIDXMBV-WMZOPIPTSA-N 1 0 339.395 2.904 10 5 EFBERO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000895850918 724350292 /nfs/dbraw/zinc/35/02/92/724350292.db2.gz QFIRMKCBWQLFCM-ZDUSSCGKSA-N 1 0 345.355 2.785 10 5 EFBERO CC[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000907122828 726869516 /nfs/dbraw/zinc/86/95/16/726869516.db2.gz FTGSJTLPXPQBFO-LBPRGKRZSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907204651 726884494 /nfs/dbraw/zinc/88/44/94/726884494.db2.gz FKWCVXCSCDAGBC-NWDGAFQWSA-N 1 0 339.823 2.732 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000907182250 726888197 /nfs/dbraw/zinc/88/81/97/726888197.db2.gz CCUQZQWQZSXQHJ-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907193785 726890519 /nfs/dbraw/zinc/89/05/19/726890519.db2.gz WBAJKNGQLLXYGE-NWDGAFQWSA-N 1 0 339.823 2.732 10 5 EFBERO O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000732412550 727072714 /nfs/dbraw/zinc/07/27/14/727072714.db2.gz NQOSUVGKTNQGRA-ZDUSSCGKSA-N 1 0 335.379 2.568 10 5 EFBERO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000908078200 727094583 /nfs/dbraw/zinc/09/45/83/727094583.db2.gz ZOCGYHMEGRLUPT-GOSISDBHSA-N 1 0 349.431 2.678 10 5 EFBERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908412504 727181183 /nfs/dbraw/zinc/18/11/83/727181183.db2.gz DOXSKCIXWZNOKN-IAQYHMDHSA-N 1 0 339.823 2.732 10 5 EFBERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908412508 727181191 /nfs/dbraw/zinc/18/11/91/727181191.db2.gz DOXSKCIXWZNOKN-NHYWBVRUSA-N 1 0 339.823 2.732 10 5 EFBERO CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908442117 727187630 /nfs/dbraw/zinc/18/76/30/727187630.db2.gz CQKDWZNGFKVHKU-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916053727 727652607 /nfs/dbraw/zinc/65/26/07/727652607.db2.gz DRIVTMWYAQOKDW-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000912308345 727693515 /nfs/dbraw/zinc/69/35/15/727693515.db2.gz XKRUBHZMVCRABI-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875012 727753606 /nfs/dbraw/zinc/75/36/06/727753606.db2.gz MVVUEKQZEKGYME-MRXNPFEDSA-N 1 0 345.443 2.860 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875175 727753729 /nfs/dbraw/zinc/75/37/29/727753729.db2.gz UMTKZQMIQTUMOH-UHFFFAOYSA-N 1 0 337.807 2.867 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911669 727757621 /nfs/dbraw/zinc/75/76/21/727757621.db2.gz MHTCWKHNQGZSPG-CYBMUJFWSA-N 1 0 335.429 2.627 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000917067950 727763049 /nfs/dbraw/zinc/76/30/49/727763049.db2.gz DIVAFOASQWXTDM-GQCTYLIASA-N 1 0 347.415 2.925 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000917086738 727766967 /nfs/dbraw/zinc/76/69/67/727766967.db2.gz OOLDSNFKIGZOCP-QPBFKRLHSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913274678 727812258 /nfs/dbraw/zinc/81/22/58/727812258.db2.gz OQOZUURXLARTSD-ROUUACIJSA-N 1 0 331.416 2.625 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1C ZINC000913275369 727812626 /nfs/dbraw/zinc/81/26/26/727812626.db2.gz UPNRUPRYOCVAKT-HDICACEKSA-N 1 0 331.416 2.625 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1C ZINC000913275370 727812652 /nfs/dbraw/zinc/81/26/52/727812652.db2.gz UPNRUPRYOCVAKT-QZTJIDSGSA-N 1 0 331.416 2.625 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@@]2(C)C1 ZINC000913275815 727812812 /nfs/dbraw/zinc/81/28/12/727812812.db2.gz DTSSYEQHBKGZAZ-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913285729 727816184 /nfs/dbraw/zinc/81/61/84/727816184.db2.gz VKLHPTJWLSRLOA-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000913390438 727827722 /nfs/dbraw/zinc/82/77/22/727827722.db2.gz ZYTPSYYUCFCGRV-JKSUJKDBSA-N 1 0 331.416 2.641 10 5 EFBERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384700 727830433 /nfs/dbraw/zinc/83/04/33/727830433.db2.gz CEEKFXSSWSQICU-AOOOYVTPSA-N 1 0 343.786 2.876 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385553 727830907 /nfs/dbraw/zinc/83/09/07/727830907.db2.gz ABSGLENHJYBSBZ-LBPRGKRZSA-N 1 0 343.786 2.878 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000913397882 727832206 /nfs/dbraw/zinc/83/22/06/727832206.db2.gz DNWNXAKKPOAXKE-UHFFFAOYSA-N 1 0 331.372 2.897 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000913401322 727832612 /nfs/dbraw/zinc/83/26/12/727832612.db2.gz IQTDDEISIKKMNS-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C[NH2+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165817721 728071868 /nfs/dbraw/zinc/07/18/68/728071868.db2.gz QARCROORPOZBIP-JTQLQIEISA-N 1 0 343.225 2.639 10 5 EFBERO C[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000921028819 729252205 /nfs/dbraw/zinc/25/22/05/729252205.db2.gz YMRTXRCCLJABHO-XFXZXTDPSA-N 1 0 331.416 2.989 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1F ZINC001569388850 1085170365 /nfs/dbraw/zinc/17/03/65/1085170365.db2.gz LBUMQXPCDRKPKW-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569862455 1085690068 /nfs/dbraw/zinc/69/00/68/1085690068.db2.gz HKRCFCYVADYXKJ-KLHDSHLOSA-N 1 0 339.480 2.600 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001570619901 1086412949 /nfs/dbraw/zinc/41/29/49/1086412949.db2.gz WENMPBIESXXYGO-KBPBESRZSA-N 1 0 339.823 2.636 10 5 EFBERO O=C(NC1(C[NH2+]CCCC2CCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570796115 1086523013 /nfs/dbraw/zinc/52/30/13/1086523013.db2.gz FFJMLCVZRYQFFE-HZPDHXFCSA-N 1 0 337.464 2.641 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001647836734 1089891248 /nfs/dbraw/zinc/89/12/48/1089891248.db2.gz OOGDNYOJFRBWFA-CVEARBPZSA-N 1 0 345.443 2.861 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001648330996 1089984266 /nfs/dbraw/zinc/98/42/66/1089984266.db2.gz BIIKGQAYMZEJPD-UHFFFAOYSA-N 1 0 346.362 2.772 10 5 EFBERO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)CCO1 ZINC001620678436 1091125507 /nfs/dbraw/zinc/12/55/07/1091125507.db2.gz WRVJKKOOCUMDAQ-VXGBXAGGSA-N 1 0 339.367 2.562 10 5 EFBERO CC[C@@H](OC(=O)COC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001584249783 1092132422 /nfs/dbraw/zinc/13/24/22/1092132422.db2.gz DQQPIKVDOAJUFO-MRXNPFEDSA-N 1 0 336.388 2.700 10 5 EFBERO C/C(=C\C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785108766 1092494024 /nfs/dbraw/zinc/49/40/24/1092494024.db2.gz WCBUTZXHVJATET-OUKQBFOZSA-N 1 0 329.400 2.741 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001585891529 1092612164 /nfs/dbraw/zinc/61/21/64/1092612164.db2.gz NBBGXKJPCUJZAD-GJZGRUSLSA-N 1 0 349.456 2.919 10 5 EFBERO Cc1cccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001670741727 1092753726 /nfs/dbraw/zinc/75/37/26/1092753726.db2.gz GCJIKNDEDDGIBA-UHFFFAOYSA-N 1 0 339.395 2.955 10 5 EFBERO CC(C)[NH+]1CCC(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001587144676 1092785661 /nfs/dbraw/zinc/78/56/61/1092785661.db2.gz UECGJVLUIRCZPO-UHFFFAOYSA-N 1 0 337.332 2.529 10 5 EFBERO CCN(CCNC(=O)c1cncc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001267237498 1093319465 /nfs/dbraw/zinc/31/94/65/1093319465.db2.gz MJPGXTRKIYPYAG-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)cc1C ZINC001650725936 1093488421 /nfs/dbraw/zinc/48/84/21/1093488421.db2.gz JYSWZRQWWYDYNB-MRXNPFEDSA-N 1 0 335.404 2.832 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001650801154 1093494939 /nfs/dbraw/zinc/49/49/39/1093494939.db2.gz IVNGOMLUJDAFHK-CHWSQXEVSA-N 1 0 335.404 2.975 10 5 EFBERO CC(C)Oc1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001651111635 1093528024 /nfs/dbraw/zinc/52/80/24/1093528024.db2.gz QXVDFTQKWCYUHQ-OAHLLOKOSA-N 1 0 347.419 2.830 10 5 EFBERO C[N@H+](CCCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001651126424 1093529710 /nfs/dbraw/zinc/52/97/10/1093529710.db2.gz SIPGBFNZIBUFSJ-UHFFFAOYSA-N 1 0 332.379 2.990 10 5 EFBERO CCCN(CCNC(=O)c1coc(C)n1)Cc1ccccc1[N+](=O)[O-] ZINC001267312797 1093555365 /nfs/dbraw/zinc/55/53/65/1093555365.db2.gz OHNGUWOJKOSQFK-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO Cc1c(F)cccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267375327 1094362217 /nfs/dbraw/zinc/36/22/17/1094362217.db2.gz DUNVJLYTLJYLPY-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccsc1 ZINC001267384309 1094442259 /nfs/dbraw/zinc/44/22/59/1094442259.db2.gz QFGMMQUEKVDDAC-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001480939346 1094444945 /nfs/dbraw/zinc/44/49/45/1094444945.db2.gz AIVHJVGXPUDLRD-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1Cl ZINC001267424953 1094511178 /nfs/dbraw/zinc/51/11/78/1094511178.db2.gz IVARPYIMMFTPGB-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(CF)cc1 ZINC001267474830 1094771928 /nfs/dbraw/zinc/77/19/28/1094771928.db2.gz JLLFWWYWJOVWSU-UHFFFAOYSA-N 1 0 345.374 2.926 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001480959697 1095443368 /nfs/dbraw/zinc/44/33/68/1095443368.db2.gz VFXVJAGPIAYGLA-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001268506598 1097057795 /nfs/dbraw/zinc/05/77/95/1097057795.db2.gz RNWSIWMZKXIFAV-ONEGZZNKSA-N 1 0 343.358 2.810 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001268507588 1097066971 /nfs/dbraw/zinc/06/69/71/1097066971.db2.gz TXCKXXHFDAARKZ-SNAWJCMRSA-N 1 0 331.416 2.937 10 5 EFBERO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001648952644 1097663233 /nfs/dbraw/zinc/66/32/33/1097663233.db2.gz YXQLOKBVBOELGT-HNNXBMFYSA-N 1 0 346.431 2.704 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC001269397810 1098111927 /nfs/dbraw/zinc/11/19/27/1098111927.db2.gz BRLGFIANJPKLKL-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)s1 ZINC001269544489 1098232922 /nfs/dbraw/zinc/23/29/22/1098232922.db2.gz IMFMCHPATZQYFI-UHFFFAOYSA-N 1 0 349.387 2.848 10 5 EFBERO O=C(C1CC1)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269811927 1098459094 /nfs/dbraw/zinc/45/90/94/1098459094.db2.gz MIXMIYHEFMBOJT-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CCC[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001611378663 1099005829 /nfs/dbraw/zinc/00/58/29/1099005829.db2.gz OCKDVOFPHVUQLU-UKRRQHHQSA-N 1 0 346.431 2.721 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001611391394 1099006593 /nfs/dbraw/zinc/00/65/93/1099006593.db2.gz OBZQVWCCELHXKA-HUUCEWRRSA-N 1 0 335.379 2.789 10 5 EFBERO COC(=O)Cc1ccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001611794047 1099034465 /nfs/dbraw/zinc/03/44/65/1099034465.db2.gz LPDFVFDYHVLHRX-KBPBESRZSA-N 1 0 349.431 2.843 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC001612440974 1099057467 /nfs/dbraw/zinc/05/74/67/1099057467.db2.gz DPKMNRIJEIEPGB-GFCCVEGCSA-N 1 0 338.408 2.699 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC001612606622 1099069895 /nfs/dbraw/zinc/06/98/95/1099069895.db2.gz DBIYJZRBOXXUDW-UONOGXRCSA-N 1 0 327.388 2.823 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001613060481 1099088468 /nfs/dbraw/zinc/08/84/68/1099088468.db2.gz VFEBJLQOCPJAPC-LSDHHAIUSA-N 1 0 335.452 2.819 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001613060478 1099089863 /nfs/dbraw/zinc/08/98/63/1099089863.db2.gz VFEBJLQOCPJAPC-CABCVRRESA-N 1 0 335.452 2.819 10 5 EFBERO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001617112440 1099214556 /nfs/dbraw/zinc/21/45/56/1099214556.db2.gz PHGUEQATASJIJF-UHFFFAOYSA-N 1 0 325.796 2.710 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](O)C23CCCC3)o1 ZINC001618233665 1099286553 /nfs/dbraw/zinc/28/65/53/1099286553.db2.gz ATELCACLCLLFQA-AWEZNQCLSA-N 1 0 344.371 2.524 10 5 EFBERO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001620570661 1099361102 /nfs/dbraw/zinc/36/11/02/1099361102.db2.gz DDZUQZUIUMEAKH-NSHDSACASA-N 1 0 346.362 2.996 10 5 EFBERO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583484 1099361807 /nfs/dbraw/zinc/36/18/07/1099361807.db2.gz MHLAQIOYBLVARL-RDTXWAMCSA-N 1 0 333.432 2.577 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001621248819 1099396583 /nfs/dbraw/zinc/39/65/83/1099396583.db2.gz NOSCNFLODVXIBV-RKCSUWQLSA-N 1 0 342.395 2.897 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@H](F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001623567595 1099602446 /nfs/dbraw/zinc/60/24/46/1099602446.db2.gz LZZUZJIRCLKZPI-CQSZACIVSA-N 1 0 335.379 2.520 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC001126134164 1099603007 /nfs/dbraw/zinc/60/30/07/1099603007.db2.gz WQIPSRGHNKOAEN-UHFFFAOYSA-N 1 0 334.420 2.684 10 5 EFBERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC001623968563 1099645849 /nfs/dbraw/zinc/64/58/49/1099645849.db2.gz SOHVXPDBIBOOCZ-OAHLLOKOSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)C1CCC1 ZINC001268030291 1099657673 /nfs/dbraw/zinc/65/76/73/1099657673.db2.gz DZWLKHOEUULAIS-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CCCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001268031007 1099705867 /nfs/dbraw/zinc/70/58/67/1099705867.db2.gz NUFTZYGHMYNKPX-UHFFFAOYSA-N 1 0 325.434 2.975 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001625402144 1099806200 /nfs/dbraw/zinc/80/62/00/1099806200.db2.gz HBHDOHWLQGYSPT-YVEFUNNKSA-N 1 0 334.420 2.539 10 5 EFBERO CC[N@H+](CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001626759374 1099915476 /nfs/dbraw/zinc/91/54/76/1099915476.db2.gz BQQKNTSPXNFUSZ-UHFFFAOYSA-N 1 0 342.399 2.544 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001627150619 1099961868 /nfs/dbraw/zinc/96/18/68/1099961868.db2.gz KYLCAMUWZQFPPV-UHFFFAOYSA-N 1 0 347.459 2.964 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001627390475 1099989871 /nfs/dbraw/zinc/98/98/71/1099989871.db2.gz COBXMPCHMUEMNL-UHFFFAOYSA-N 1 0 342.399 2.993 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629245356 1100186228 /nfs/dbraw/zinc/18/62/28/1100186228.db2.gz VZYRRTKDXYMYTK-UHFFFAOYSA-N 1 0 327.812 2.639 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC001629715161 1100239645 /nfs/dbraw/zinc/23/96/45/1100239645.db2.gz RBGCNGJYQBAQKL-UHFFFAOYSA-N 1 0 331.416 2.852 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001629839232 1100251059 /nfs/dbraw/zinc/25/10/59/1100251059.db2.gz LZHVOIVAWQLUSJ-UHFFFAOYSA-N 1 0 347.346 2.813 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001630936594 1100355256 /nfs/dbraw/zinc/35/52/56/1100355256.db2.gz XDTNRAWBGGJCPT-OAHLLOKOSA-N 1 0 331.416 2.600 10 5 EFBERO CCCCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001271024684 1100390896 /nfs/dbraw/zinc/39/08/96/1100390896.db2.gz XRKCSLSBWSTDGT-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO COc1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001631347210 1100391052 /nfs/dbraw/zinc/39/10/52/1100391052.db2.gz MMOQPFGEKPJKIT-UHFFFAOYSA-N 1 0 335.404 2.910 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001632737664 1100497615 /nfs/dbraw/zinc/49/76/15/1100497615.db2.gz PCVNNOQCCKOGFQ-AWEZNQCLSA-N 1 0 349.431 2.988 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633420887 1100541845 /nfs/dbraw/zinc/54/18/45/1100541845.db2.gz DBYPVVIJBOGFBC-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001633832688 1100568911 /nfs/dbraw/zinc/56/89/11/1100568911.db2.gz LZYXTJIKDYVCOW-UHFFFAOYSA-N 1 0 341.302 2.875 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001637004000 1100750453 /nfs/dbraw/zinc/75/04/53/1100750453.db2.gz VXINHBVITRNIHY-OAHLLOKOSA-N 1 0 343.387 2.798 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001637352128 1100775381 /nfs/dbraw/zinc/77/53/81/1100775381.db2.gz FOVAAYILZFUZCM-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001638777238 1100885871 /nfs/dbraw/zinc/88/58/71/1100885871.db2.gz LRZYTJYOJRBUGV-ZIAGYGMSSA-N 1 0 337.445 2.775 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001639271933 1100932513 /nfs/dbraw/zinc/93/25/13/1100932513.db2.gz DVSBTLNMDUZWBN-OLZOCXBDSA-N 1 0 335.404 2.914 10 5 EFBERO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCCCC1 ZINC001640327172 1101034604 /nfs/dbraw/zinc/03/46/04/1101034604.db2.gz XPTVGMMTNHEJFO-UHFFFAOYSA-N 1 0 346.431 2.821 10 5 EFBERO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC001640478314 1101051567 /nfs/dbraw/zinc/05/15/67/1101051567.db2.gz XBUBJFPDSLWVIP-YGRLFVJLSA-N 1 0 340.221 2.745 10 5 EFBERO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001641506074 1101142095 /nfs/dbraw/zinc/14/20/95/1101142095.db2.gz OAKAJCDQYIMTJM-SFHVURJKSA-N 1 0 333.432 2.922 10 5 EFBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC001642407992 1101212042 /nfs/dbraw/zinc/21/20/42/1101212042.db2.gz IFPDGBGBHOHPEY-LBPRGKRZSA-N 1 0 325.368 2.965 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2c1 ZINC001642431541 1101212891 /nfs/dbraw/zinc/21/28/91/1101212891.db2.gz MQWAWAORCQWBPZ-VXGBXAGGSA-N 1 0 342.399 2.611 10 5 EFBERO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001642491278 1101216538 /nfs/dbraw/zinc/21/65/38/1101216538.db2.gz OXYAZYQCFOLQMP-QWRGUYRKSA-N 1 0 342.237 2.882 10 5 EFBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001642755968 1101239015 /nfs/dbraw/zinc/23/90/15/1101239015.db2.gz IARLLXJOAKAFOR-OAHLLOKOSA-N 1 0 346.431 2.716 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001642976749 1101261757 /nfs/dbraw/zinc/26/17/57/1101261757.db2.gz GXJCWUCMPHAGOT-HNNXBMFYSA-N 1 0 341.415 2.678 10 5 EFBERO CCO[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC001651400824 1101322764 /nfs/dbraw/zinc/32/27/64/1101322764.db2.gz KYGISAGUXRATCO-JTQLQIEISA-N 1 0 346.225 2.736 10 5 EFBERO CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651435125 1101328696 /nfs/dbraw/zinc/32/86/96/1101328696.db2.gz QOSUSOQUUWNPNP-MLGOLLRUSA-N 1 0 341.415 2.541 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC001651531346 1101344197 /nfs/dbraw/zinc/34/41/97/1101344197.db2.gz YNFQCLAEYROBJD-JTQLQIEISA-N 1 0 343.225 2.591 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651964088 1101411753 /nfs/dbraw/zinc/41/17/53/1101411753.db2.gz FLISVPKVJNOPKP-LBPRGKRZSA-N 1 0 345.359 2.582 10 5 EFBERO COc1csc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001266306075 1101502864 /nfs/dbraw/zinc/50/28/64/1101502864.db2.gz BLVASOBSYOPQNB-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001652603493 1101520013 /nfs/dbraw/zinc/52/00/13/1101520013.db2.gz MPNKDLKZMWTGIR-CYBMUJFWSA-N 1 0 341.358 2.533 10 5 EFBERO COc1ccc(OCC[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001653640685 1101637635 /nfs/dbraw/zinc/63/76/35/1101637635.db2.gz BEFBABFVZGTPKR-RDJZCZTQSA-N 1 0 338.404 2.775 10 5 EFBERO C[N@H+](CCNC(=O)c1ccc(Cl)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266349875 1101660619 /nfs/dbraw/zinc/66/06/19/1101660619.db2.gz BEBDPXHAYDHLQW-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO Cc1nsc(C)c1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266362412 1101722436 /nfs/dbraw/zinc/72/24/36/1101722436.db2.gz HLTFRRFOEAPYBA-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO COC(=O)[C@]12C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001654884990 1101766265 /nfs/dbraw/zinc/76/62/65/1101766265.db2.gz JNTVZSHSXMGSDJ-RDTXWAMCSA-N 1 0 348.399 2.639 10 5 EFBERO CC[NH+](CC)CCC[C@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC001654896649 1101766709 /nfs/dbraw/zinc/76/67/09/1101766709.db2.gz YXMSYQCJWTVPLG-LBPRGKRZSA-N 1 0 338.408 2.699 10 5 EFBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001654965474 1101773110 /nfs/dbraw/zinc/77/31/10/1101773110.db2.gz UHIAZCVCDMCILB-TZMCWYRMSA-N 1 0 331.372 2.767 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001655036650 1101779383 /nfs/dbraw/zinc/77/93/83/1101779383.db2.gz LNZZFCNFFPMKIH-UHFFFAOYSA-N 1 0 328.416 2.936 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c1 ZINC001655130683 1101788157 /nfs/dbraw/zinc/78/81/57/1101788157.db2.gz KUATXNIQBHMKFL-SJLPKXTDSA-N 1 0 348.399 2.772 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001655329861 1101810396 /nfs/dbraw/zinc/81/03/96/1101810396.db2.gz MIZAQUNKELYUFS-QGZVFWFLSA-N 1 0 349.479 2.686 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCCC[N@H+]1CCO ZINC001655499874 1101835980 /nfs/dbraw/zinc/83/59/80/1101835980.db2.gz WTHUYNKDLXEOAL-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001655669473 1101867094 /nfs/dbraw/zinc/86/70/94/1101867094.db2.gz GZWAEIIXAOKPRX-GJZGRUSLSA-N 1 0 333.388 2.666 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001655709912 1101876616 /nfs/dbraw/zinc/87/66/16/1101876616.db2.gz ZSPSWOULRXATDT-CQSZACIVSA-N 1 0 349.431 2.682 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@]12CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001655921470 1101910498 /nfs/dbraw/zinc/91/04/98/1101910498.db2.gz BOIAYVOBDJMBKL-GOSISDBHSA-N 1 0 347.415 2.959 10 5 EFBERO COc1cccc(C[C@H]2CN(c3cc(C)sc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001655964976 1101918757 /nfs/dbraw/zinc/91/87/57/1101918757.db2.gz FCHRJOKVGWMCOA-AWEZNQCLSA-N 1 0 347.440 2.994 10 5 EFBERO CC[N@H+](CCNC(=O)C(C)(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266411422 1101933141 /nfs/dbraw/zinc/93/31/41/1101933141.db2.gz UTUXEMIBTPAUTP-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(F)(F)C1 ZINC001266749429 1102094052 /nfs/dbraw/zinc/09/40/52/1102094052.db2.gz SYTOPAUTTWGDPN-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO C/C(=C/C(=O)N1CC[NH+](CC(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785069657 1102353715 /nfs/dbraw/zinc/35/37/15/1102353715.db2.gz ANNCDLVDYDJCEB-QINSGFPZSA-N 1 0 331.416 2.798 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001266845549 1102416477 /nfs/dbraw/zinc/41/64/77/1102416477.db2.gz CHOKZRIDKNIXPE-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO COC(=O)[C@]12C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001659197552 1102525924 /nfs/dbraw/zinc/52/59/24/1102525924.db2.gz LJUHYVUEKBLBPK-CXAGYDPISA-N 1 0 336.363 2.899 10 5 EFBERO Cc1c(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001659462932 1102541695 /nfs/dbraw/zinc/54/16/95/1102541695.db2.gz XINQZTFUQFSCGK-KRWDZBQOSA-N 1 0 347.459 2.978 10 5 EFBERO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001660165401 1102621981 /nfs/dbraw/zinc/62/19/81/1102621981.db2.gz HZNWCRBNOMUMNJ-HNNXBMFYSA-N 1 0 333.432 2.922 10 5 EFBERO CC(=O)N(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001271789440 1102684967 /nfs/dbraw/zinc/68/49/67/1102684967.db2.gz FKKMJDLODOBPDD-UHFFFAOYSA-N 1 0 327.384 2.733 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001660482690 1102789523 /nfs/dbraw/zinc/78/95/23/1102789523.db2.gz VQUUTNFDSFKVQB-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625951018 1102790579 /nfs/dbraw/zinc/79/05/79/1102790579.db2.gz PYVCPZOGZFNSSS-GFCCVEGCSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccoc1)Cc1ccccc1[N+](=O)[O-] ZINC001660490165 1102791012 /nfs/dbraw/zinc/79/10/12/1102791012.db2.gz JMDSWDVJPINGEG-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001271832644 1102852494 /nfs/dbraw/zinc/85/24/94/1102852494.db2.gz UFPVCXRIXZVIAZ-IYBDPMFKSA-N 1 0 331.416 2.675 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660627122 1102895426 /nfs/dbraw/zinc/89/54/26/1102895426.db2.gz ZURKWDBBVYBQFI-IRXDYDNUSA-N 1 0 347.415 2.957 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001660658863 1102914356 /nfs/dbraw/zinc/91/43/56/1102914356.db2.gz ZIEGWAZYSWUKCX-MOPGFXCFSA-N 1 0 342.395 2.612 10 5 EFBERO Cn1cncc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001660672328 1102922404 /nfs/dbraw/zinc/92/24/04/1102922404.db2.gz REGNBAAMSIDPML-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO CC(C)(c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000905310483 1103078637 /nfs/dbraw/zinc/07/86/37/1103078637.db2.gz WVHDXNWPOHKRJJ-UHFFFAOYSA-N 1 0 330.388 2.846 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905378511 1103135593 /nfs/dbraw/zinc/13/55/93/1103135593.db2.gz LUANSCPIYRVCGZ-CQSZACIVSA-N 1 0 339.823 2.781 10 5 EFBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661403940 1103255385 /nfs/dbraw/zinc/25/53/85/1103255385.db2.gz ZFLJHQNUUMWKGP-IHXCSDIZSA-N 1 0 331.416 2.934 10 5 EFBERO Cc1ncsc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271969374 1103294989 /nfs/dbraw/zinc/29/49/89/1103294989.db2.gz IBYHYHSBGWGUGR-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001483449302 1103739092 /nfs/dbraw/zinc/73/90/92/1103739092.db2.gz UKVDXUWREPNGGG-CMDGGOBGSA-N 1 0 343.383 2.839 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C=CC=CC=C1 ZINC001483468254 1103772453 /nfs/dbraw/zinc/77/24/53/1103772453.db2.gz ZVJOMKFWUBNLCT-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1O ZINC001482580794 1103831343 /nfs/dbraw/zinc/83/13/43/1103831343.db2.gz WDBNBKZLDQBUSV-UHFFFAOYSA-N 1 0 343.383 2.504 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000255548968 1104114464 /nfs/dbraw/zinc/11/44/64/1104114464.db2.gz YKJJGRAWYQHFQB-CGQZWFTASA-N 1 0 343.427 2.989 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000255548970 1104115441 /nfs/dbraw/zinc/11/54/41/1104115441.db2.gz YKJJGRAWYQHFQB-JEZWAEDTSA-N 1 0 343.427 2.989 10 5 EFBERO CCC[N@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663676721 1104188575 /nfs/dbraw/zinc/18/85/75/1104188575.db2.gz KVUUGVTUXWVWTM-FVQHAEBGSA-N 1 0 345.443 2.969 10 5 EFBERO O=C(CC1CCC1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001663715020 1104197845 /nfs/dbraw/zinc/19/78/45/1104197845.db2.gz FFUNBQWJPPWBQI-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CC1 ZINC001664134649 1104295364 /nfs/dbraw/zinc/29/53/64/1104295364.db2.gz FHYRUECJDDGLQA-UHFFFAOYSA-N 1 0 325.434 2.641 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC(F)(F)C1 ZINC001664304672 1104345330 /nfs/dbraw/zinc/34/53/30/1104345330.db2.gz PKIKIODFXLXTCU-UHFFFAOYSA-N 1 0 347.387 2.640 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001299195775 1104464095 /nfs/dbraw/zinc/46/40/95/1104464095.db2.gz MNJFILDXLWOIDX-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000081599965 1104871973 /nfs/dbraw/zinc/87/19/73/1104871973.db2.gz IXVBPSQRCLLNBD-LLVKDONJSA-N 1 0 333.413 2.818 10 5 EFBERO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC001667632089 1105169307 /nfs/dbraw/zinc/16/93/07/1105169307.db2.gz VNXPHENUBINZAV-UHFFFAOYSA-N 1 0 344.415 2.744 10 5 EFBERO CCc1[nH]ccc1C(=O)N(CC)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001668419402 1105295083 /nfs/dbraw/zinc/29/50/83/1105295083.db2.gz MNWVPVFAVRONMM-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483001755 1105511859 /nfs/dbraw/zinc/51/18/59/1105511859.db2.gz BNEOCRPTDQOFEI-WAYWQWQTSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001483004797 1105523343 /nfs/dbraw/zinc/52/33/43/1105523343.db2.gz VUMJDDNOXRANSQ-UPHRSURJSA-N 1 0 349.387 2.871 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(F)(F)C1 ZINC001670061118 1105575788 /nfs/dbraw/zinc/57/57/88/1105575788.db2.gz ZQFYCUBUKOAKBX-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000729681421 1105799552 /nfs/dbraw/zinc/79/95/52/1105799552.db2.gz BGVJCMFIDAAVDB-GFCCVEGCSA-N 1 0 331.372 2.657 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1cc(F)c[nH]1 ZINC001673189871 1105983149 /nfs/dbraw/zinc/98/31/49/1105983149.db2.gz VNNFUZNQJQASFV-UHFFFAOYSA-N 1 0 346.362 2.504 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1CC2(CC2)C1 ZINC001673210248 1105985848 /nfs/dbraw/zinc/98/58/48/1105985848.db2.gz OWSUUHZDLUZNCL-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001673411953 1106023470 /nfs/dbraw/zinc/02/34/70/1106023470.db2.gz DMDBHUBGOLZOGJ-UHFFFAOYSA-N 1 0 325.384 2.623 10 5 EFBERO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)CCCF)CC1 ZINC001673976846 1106113231 /nfs/dbraw/zinc/11/32/31/1106113231.db2.gz GMRBRPCLLUFRHP-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001675785875 1106422851 /nfs/dbraw/zinc/42/28/51/1106422851.db2.gz MVDCRVUENJZGBK-AULYBMBSSA-N 1 0 337.445 2.831 10 5 EFBERO CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001675786687 1106423131 /nfs/dbraw/zinc/42/31/31/1106423131.db2.gz WHBVTUVHWSWXLD-CTYIDZIISA-N 1 0 331.416 2.769 10 5 EFBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)F ZINC001677183901 1106672611 /nfs/dbraw/zinc/67/26/11/1106672611.db2.gz HLNZJCQAJUVBIS-UHFFFAOYSA-N 1 0 329.347 2.529 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001680747114 1108056082 /nfs/dbraw/zinc/05/60/82/1108056082.db2.gz PXPJPXCLZCOWEN-INIZCTEOSA-N 1 0 348.447 2.509 10 5 EFBERO O=C(Cc1ccsc1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001483713508 1108161593 /nfs/dbraw/zinc/16/15/93/1108161593.db2.gz UXJFWIGVYPHEBH-UHFFFAOYSA-N 1 0 345.424 2.637 10 5 EFBERO CCO[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960774 1108295125 /nfs/dbraw/zinc/29/51/25/1108295125.db2.gz NEAROXUMPNVPBC-YOEHRIQHSA-N 1 0 335.448 2.874 10 5 EFBERO C[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000898833434 1109097114 /nfs/dbraw/zinc/09/71/14/1109097114.db2.gz SSQUONPRBZJQKN-MAZHCROVSA-N 1 0 331.416 2.687 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000898841148 1109107561 /nfs/dbraw/zinc/10/75/61/1109107561.db2.gz LNEIGZIKQDMTRJ-HOTGVXAUSA-N 1 0 342.399 2.679 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898844037 1109108618 /nfs/dbraw/zinc/10/86/18/1109108618.db2.gz BYOXRADRSCIUJW-GJZGRUSLSA-N 1 0 349.456 2.919 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000899561586 1109387196 /nfs/dbraw/zinc/38/71/96/1109387196.db2.gz IRRCLFMLPQFAPF-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CNc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000914444825 1111150270 /nfs/dbraw/zinc/15/02/70/1111150270.db2.gz ZVJLTMRMMFKMOJ-UKRRQHHQSA-N 1 0 348.447 2.971 10 5 EFBERO Cc1ccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000914796205 1111380360 /nfs/dbraw/zinc/38/03/60/1111380360.db2.gz XIIYEXJVAHDHAB-UHFFFAOYSA-N 1 0 327.384 2.895 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001626021687 1111850871 /nfs/dbraw/zinc/85/08/71/1111850871.db2.gz JBXUYEMLBYFDIX-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1occc1Cl ZINC001483766534 1112195234 /nfs/dbraw/zinc/19/52/34/1112195234.db2.gz XYIOZCVYZINHKK-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO O=C(CCCF)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001484580740 1113033577 /nfs/dbraw/zinc/03/35/77/1113033577.db2.gz REOLEKSTUCWHRG-UHFFFAOYSA-N 1 0 349.406 2.769 10 5 EFBERO O=C(CC(F)(F)F)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001484627508 1113076912 /nfs/dbraw/zinc/07/69/12/1113076912.db2.gz QZRHATCHSAVEMC-UHFFFAOYSA-N 1 0 345.321 2.676 10 5 EFBERO CC(C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001485245964 1118177627 /nfs/dbraw/zinc/17/76/27/1118177627.db2.gz JDXRXCOMHKBAIN-UHFFFAOYSA-N 1 0 327.450 2.887 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001485675862 1118523491 /nfs/dbraw/zinc/52/34/91/1118523491.db2.gz JIFFSKIAJTWKNQ-GFARXRSRSA-N 1 0 343.427 2.936 10 5 EFBERO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000174520912 231229863 /nfs/dbraw/zinc/22/98/63/231229863.db2.gz FLSKFWLXLVNKED-UHFFFAOYSA-N 1 0 341.367 2.500 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000189754890 529795546 /nfs/dbraw/zinc/79/55/46/529795546.db2.gz BXUSZYOKVMWFRR-ZBFHGGJFSA-N 1 0 341.371 2.557 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000067457402 215148180 /nfs/dbraw/zinc/14/81/80/215148180.db2.gz MZQCCVFWFIFHNF-GJZGRUSLSA-N 1 0 333.432 2.841 10 5 EFBERO CC(C)Oc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040645242 213363721 /nfs/dbraw/zinc/36/37/21/213363721.db2.gz FVCZSEYICAMIIW-UHFFFAOYSA-N 1 0 337.424 2.893 10 5 EFBERO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000040087761 213259883 /nfs/dbraw/zinc/25/98/83/213259883.db2.gz BCUDJDOSBUYKJE-INIZCTEOSA-N 1 0 330.384 2.857 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183650670 235181962 /nfs/dbraw/zinc/18/19/62/235181962.db2.gz RDJVMLNQRNYZOT-XJKSGUPXSA-N 1 0 343.383 2.553 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC000183855960 235244477 /nfs/dbraw/zinc/24/44/77/235244477.db2.gz CGVZKXLUULOHIN-GFCCVEGCSA-N 1 0 328.372 2.855 10 5 EFBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042111 213131994 /nfs/dbraw/zinc/13/19/94/213131994.db2.gz FCHJYVRLKSYGKQ-HQJQHLMTSA-N 1 0 330.182 2.669 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261708682 283416690 /nfs/dbraw/zinc/41/66/90/283416690.db2.gz UYDHNAZBUBXQKC-SWKMLJDHSA-N 1 0 337.807 2.884 10 5 EFBERO Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000129841839 223097680 /nfs/dbraw/zinc/09/76/80/223097680.db2.gz JDJHJNBOBJCLSJ-NVXWUHKLSA-N 1 0 328.416 2.872 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4ccc(N)cc4c(c32)C1=O ZINC000027557302 212564482 /nfs/dbraw/zinc/56/44/82/212564482.db2.gz SGGNFDSEAJVHLN-UHFFFAOYSA-N 1 0 333.391 2.733 10 5 EFBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000172306351 239168806 /nfs/dbraw/zinc/16/88/06/239168806.db2.gz HRNMJSCVBONMBZ-MRXNPFEDSA-N 1 0 349.434 2.791 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236775361 242354477 /nfs/dbraw/zinc/35/44/77/242354477.db2.gz TUJOSWOSMGGQLL-QGZVFWFLSA-N 1 0 342.399 2.851 10 5 EFBERO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411927342 243031535 /nfs/dbraw/zinc/03/15/35/243031535.db2.gz SBNUKHANVLMMHB-DOTOQJQBSA-N 1 0 328.368 2.911 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412136982 243162322 /nfs/dbraw/zinc/16/23/22/243162322.db2.gz VQZZLWYIUKZOAZ-NKKGCODLSA-N 1 0 331.416 2.639 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000414586840 244242974 /nfs/dbraw/zinc/24/29/74/244242974.db2.gz UYFFJWJUFSUXBK-CMPLNLGQSA-N 1 0 330.331 2.837 10 5 EFBERO Cc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000414652037 244274771 /nfs/dbraw/zinc/27/47/71/244274771.db2.gz CYJZAJPXYLXOQW-UHFFFAOYSA-N 1 0 342.399 2.939 10 5 EFBERO Cn1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077465981 216910898 /nfs/dbraw/zinc/91/08/98/216910898.db2.gz HHSNRQHYUQJZPQ-PBHICJAKSA-N 1 0 344.415 2.636 10 5 EFBERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000417951588 245104444 /nfs/dbraw/zinc/10/44/44/245104444.db2.gz XITBUXDXJQBHLA-ZDUSSCGKSA-N 1 0 342.399 2.656 10 5 EFBERO CC(C)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121181 245111584 /nfs/dbraw/zinc/11/15/84/245111584.db2.gz WXWDESOBLATHEU-GJZGRUSLSA-N 1 0 335.448 2.605 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418598107 245206537 /nfs/dbraw/zinc/20/65/37/245206537.db2.gz QEZQDPRDWIYUGS-XJKSGUPXSA-N 1 0 334.420 2.513 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419306875 245373863 /nfs/dbraw/zinc/37/38/63/245373863.db2.gz YZYTVBSYMCBTHF-CQSZACIVSA-N 1 0 336.342 2.777 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000264303639 246323724 /nfs/dbraw/zinc/32/37/24/246323724.db2.gz MHRYQHZATMXDRU-CQSZACIVSA-N 1 0 334.420 2.651 10 5 EFBERO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423982386 246667035 /nfs/dbraw/zinc/66/70/35/246667035.db2.gz RNVGVMMTWSAZKQ-INIZCTEOSA-N 1 0 327.384 2.895 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cs1 ZINC000425368281 247060004 /nfs/dbraw/zinc/06/00/04/247060004.db2.gz DNJWMAYVQFTOKQ-HNNXBMFYSA-N 1 0 340.445 2.704 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425370783 247062398 /nfs/dbraw/zinc/06/23/98/247062398.db2.gz KFXKCFYPVXYPND-QGZVFWFLSA-N 1 0 334.416 2.642 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)co1 ZINC000427882018 247404714 /nfs/dbraw/zinc/40/47/14/247404714.db2.gz LHTJDIJWVOLAIT-LBPRGKRZSA-N 1 0 349.412 2.947 10 5 EFBERO CC(C)C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000266100071 248096744 /nfs/dbraw/zinc/09/67/44/248096744.db2.gz KUBIPPQGQYQIMK-QGZVFWFLSA-N 1 0 333.432 2.764 10 5 EFBERO COc1ccc(OCC[N@@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000441448029 250032635 /nfs/dbraw/zinc/03/26/35/250032635.db2.gz FVKVIFZCEUEOOP-ZDUSSCGKSA-N 1 0 326.393 2.728 10 5 EFBERO O=C1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1 ZINC000093101658 218193558 /nfs/dbraw/zinc/19/35/58/218193558.db2.gz IKJUTFSWCISKFE-UHFFFAOYSA-N 1 0 331.397 2.645 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCC1 ZINC000445249188 250398299 /nfs/dbraw/zinc/39/82/99/250398299.db2.gz LIROKGLKYXYROH-UHFFFAOYSA-N 1 0 325.796 2.772 10 5 EFBERO O=C1CCCN1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159475951 284788354 /nfs/dbraw/zinc/78/83/54/284788354.db2.gz XHSHEVIPSKDTLX-MRXNPFEDSA-N 1 0 331.416 2.518 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)ccc1Br ZINC000008850657 211010372 /nfs/dbraw/zinc/01/03/72/211010372.db2.gz LGGRINDREXGFCN-UHFFFAOYSA-N 1 0 329.194 2.750 10 5 EFBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449430732 251024879 /nfs/dbraw/zinc/02/48/79/251024879.db2.gz WNMYGEJNYMIETO-RHSMWYFYSA-N 1 0 344.415 2.588 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000267440413 251058778 /nfs/dbraw/zinc/05/87/78/251058778.db2.gz YROUQKYSNGCHLO-WDEREUQCSA-N 1 0 325.796 2.803 10 5 EFBERO COC(=O)Cc1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450257429 251319571 /nfs/dbraw/zinc/31/95/71/251319571.db2.gz LMFARWPGVLNSLS-ZDUSSCGKSA-N 1 0 335.404 2.597 10 5 EFBERO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000452101634 251787353 /nfs/dbraw/zinc/78/73/53/251787353.db2.gz JPYPMDYIOAABAQ-HNNXBMFYSA-N 1 0 349.431 2.980 10 5 EFBERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCN2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271315 252025137 /nfs/dbraw/zinc/02/51/37/252025137.db2.gz TVNDAAMODYHXEC-YJBOKZPZSA-N 1 0 347.459 2.754 10 5 EFBERO Cc1cccnc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314229 252032256 /nfs/dbraw/zinc/03/22/56/252032256.db2.gz SUYPJXYLJFSGTH-HOTGVXAUSA-N 1 0 329.404 2.811 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)co2)cc1 ZINC000153693160 224142177 /nfs/dbraw/zinc/14/21/77/224142177.db2.gz JWEXRFGNIPZECE-XYPWUTKMSA-N 1 0 329.356 2.738 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178319893 533218959 /nfs/dbraw/zinc/21/89/59/533218959.db2.gz CEFRNVSSAJAIHU-INIZCTEOSA-N 1 0 330.388 2.773 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000344844767 533385343 /nfs/dbraw/zinc/38/53/43/533385343.db2.gz CHUXRPCQKVQMEI-MWIXQPKISA-N 1 0 329.400 2.597 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000342274939 533408594 /nfs/dbraw/zinc/40/85/94/533408594.db2.gz IFFFVHDXSZNRJT-AAKUMTKESA-N 1 0 327.384 2.759 10 5 EFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195346994 141380004 /nfs/dbraw/zinc/38/00/04/141380004.db2.gz MFEWRBIALGYMIT-ZDUSSCGKSA-N 1 0 346.412 2.530 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340530493 141810349 /nfs/dbraw/zinc/81/03/49/141810349.db2.gz DHFSZSIUPDQLFC-KKBVYLPWSA-N 1 0 330.388 2.861 10 5 EFBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346145107 142154862 /nfs/dbraw/zinc/15/48/62/142154862.db2.gz KIAVUBZIFYHFIW-HNNXBMFYSA-N 1 0 342.399 2.707 10 5 EFBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346174818 142161039 /nfs/dbraw/zinc/16/10/39/142161039.db2.gz VKHBWGWFOQIXRT-HNNXBMFYSA-N 1 0 342.399 2.707 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347955873 142299732 /nfs/dbraw/zinc/29/97/32/142299732.db2.gz UATABNYMFFIALU-LRDDRELGSA-N 1 0 349.456 2.628 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692526 142348293 /nfs/dbraw/zinc/34/82/93/142348293.db2.gz JTBXTZQHLNZAGD-LRDDRELGSA-N 1 0 332.404 2.534 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000349974406 142385065 /nfs/dbraw/zinc/38/50/65/142385065.db2.gz WXDRMWRVAKSITM-MRXNPFEDSA-N 1 0 331.416 2.738 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278170 145024968 /nfs/dbraw/zinc/02/49/68/145024968.db2.gz UTRZGINPKBDZBD-WMLDXEAASA-N 1 0 338.448 2.966 10 5 EFBERO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342166531 145074021 /nfs/dbraw/zinc/07/40/21/145074021.db2.gz ZEARABZGGLNIJV-KRWDZBQOSA-N 1 0 341.411 2.806 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342284351 145093044 /nfs/dbraw/zinc/09/30/44/145093044.db2.gz QQAGWZCRUAWDBU-MRXNPFEDSA-N 1 0 329.400 2.979 10 5 EFBERO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000342314341 145099051 /nfs/dbraw/zinc/09/90/51/145099051.db2.gz ZETKKUNHJICLHM-MRXNPFEDSA-N 1 0 345.403 2.644 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342941867 145225834 /nfs/dbraw/zinc/22/58/34/145225834.db2.gz DVODROAHIUAWDX-UHFFFAOYSA-N 1 0 344.415 2.926 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000343558893 145238067 /nfs/dbraw/zinc/23/80/67/145238067.db2.gz CULRCOOBUVLWHM-AWEZNQCLSA-N 1 0 335.404 2.598 10 5 EFBERO C[N@H+](C[C@H]1CC=CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033872 145350643 /nfs/dbraw/zinc/35/06/43/145350643.db2.gz FZGXFZZNIHYTAW-YOEHRIQHSA-N 1 0 329.400 2.988 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344058602 145358098 /nfs/dbraw/zinc/35/80/98/145358098.db2.gz LEERBJZRIJDMTP-CYBMUJFWSA-N 1 0 333.388 2.830 10 5 EFBERO COC[C@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352784238 146320415 /nfs/dbraw/zinc/32/04/15/146320415.db2.gz RYVKVPAWDXGYEY-FUHWJXTLSA-N 1 0 330.384 2.671 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355730834 147046460 /nfs/dbraw/zinc/04/64/60/147046460.db2.gz PKQIXOOWHFEIOA-CHWSQXEVSA-N 1 0 336.388 2.767 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000355766383 147056645 /nfs/dbraw/zinc/05/66/45/147056645.db2.gz DIPKHJWRZBPPJG-LBPRGKRZSA-N 1 0 336.388 2.767 10 5 EFBERO COc1c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355821906 147074901 /nfs/dbraw/zinc/07/49/01/147074901.db2.gz AQQRIHCWPLAACW-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000356249289 147188492 /nfs/dbraw/zinc/18/84/92/147188492.db2.gz CRCSQEBQKZTCHQ-SFHVURJKSA-N 1 0 347.415 2.551 10 5 EFBERO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356741897 147324718 /nfs/dbraw/zinc/32/47/18/147324718.db2.gz LKSDBIGDJPHVDX-GFCCVEGCSA-N 1 0 327.331 2.869 10 5 EFBERO CC[NH+](CC)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356868297 147358363 /nfs/dbraw/zinc/35/83/63/147358363.db2.gz SUPZJKDMZCIGQY-UHFFFAOYSA-N 1 0 330.182 2.638 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000356995427 147394996 /nfs/dbraw/zinc/39/49/96/147394996.db2.gz GGYZVHXBAHXFOD-UHFFFAOYSA-N 1 0 346.431 2.706 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000357945312 147666068 /nfs/dbraw/zinc/66/60/68/147666068.db2.gz OGFKCEZGVWXULV-UHFFFAOYSA-N 1 0 335.404 2.915 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358688464 147871128 /nfs/dbraw/zinc/87/11/28/147871128.db2.gz KNKFRKFSOBTGDK-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000359563508 148124402 /nfs/dbraw/zinc/12/44/02/148124402.db2.gz SPECMNDMJPOQPG-IFXJQAMLSA-N 1 0 343.427 2.996 10 5 EFBERO Cc1cc(N2CCO[C@@H](C(=O)C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359632175 148145807 /nfs/dbraw/zinc/14/58/07/148145807.db2.gz KOWQGLWDSZFOCK-QGZVFWFLSA-N 1 0 341.367 2.636 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000360115956 148275848 /nfs/dbraw/zinc/27/58/48/148275848.db2.gz FXHFGJIOIIOYOC-AWEZNQCLSA-N 1 0 335.404 2.692 10 5 EFBERO Cc1ccnc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363798876 149013851 /nfs/dbraw/zinc/01/38/51/149013851.db2.gz YINIDNQEYYUGIE-UHFFFAOYSA-N 1 0 342.399 2.952 10 5 EFBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000363910175 149030188 /nfs/dbraw/zinc/03/01/88/149030188.db2.gz PWLQHWMRLYEEKV-DJIMGWMZSA-N 1 0 339.399 2.707 10 5 EFBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000363910174 149030303 /nfs/dbraw/zinc/03/03/03/149030303.db2.gz PWLQHWMRLYEEKV-BHYGNILZSA-N 1 0 339.399 2.707 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000369300331 150324130 /nfs/dbraw/zinc/32/41/30/150324130.db2.gz ZTIFJSIPMWGIMM-UHFFFAOYSA-N 1 0 341.415 2.794 10 5 EFBERO O=[N+]([O-])c1ccc2nc(NC3CC([NH+]4CCCCC4)C3)ccc2c1 ZINC000373685613 151210213 /nfs/dbraw/zinc/21/02/13/151210213.db2.gz ZDFMTHBOXNTHJX-UHFFFAOYSA-N 1 0 326.400 2.994 10 5 EFBERO Cc1cc(F)cc([C@]2(F)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330082 151324534 /nfs/dbraw/zinc/32/45/34/151324534.db2.gz WGJIBWGSHCZIEK-INIZCTEOSA-N 1 0 336.342 2.810 10 5 EFBERO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000374595397 151377560 /nfs/dbraw/zinc/37/75/60/151377560.db2.gz PAUMXTNNCIUCHY-INIZCTEOSA-N 1 0 339.395 2.992 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378188736 152028377 /nfs/dbraw/zinc/02/83/77/152028377.db2.gz GVBUXPPMNCMKBJ-UHFFFAOYSA-N 1 0 325.368 2.955 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378424528 152081738 /nfs/dbraw/zinc/08/17/38/152081738.db2.gz NALWRTOJNAZOGK-IUODEOHRSA-N 1 0 326.780 2.676 10 5 EFBERO C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000357867896 286874812 /nfs/dbraw/zinc/87/48/12/286874812.db2.gz XFGSFNWOBAWWRU-KBPBESRZSA-N 1 0 348.447 2.511 10 5 EFBERO COCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352555287 164606015 /nfs/dbraw/zinc/60/60/15/164606015.db2.gz LIEQACIPWCEYCB-UHFFFAOYSA-N 1 0 338.404 2.621 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123213158 222236988 /nfs/dbraw/zinc/23/69/88/222236988.db2.gz JEMRNDHXRKPEEH-CABCVRRESA-N 1 0 348.447 2.646 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123746295 222326090 /nfs/dbraw/zinc/32/60/90/222326090.db2.gz IEOQQJKOBVAWKI-MNOVXSKESA-N 1 0 325.796 2.803 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184266392 265013496 /nfs/dbraw/zinc/01/34/96/265013496.db2.gz IBWXLRUOFQEHLF-ZIAGYGMSSA-N 1 0 337.395 2.801 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187185353 265090549 /nfs/dbraw/zinc/09/05/49/265090549.db2.gz ZGLKFCSEEBZNBO-SUMWQHHRSA-N 1 0 342.399 2.719 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194191089 265366215 /nfs/dbraw/zinc/36/62/15/265366215.db2.gz OBNQFMPSVWKMKK-HNNXBMFYSA-N 1 0 336.436 2.713 10 5 EFBERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194519486 265375545 /nfs/dbraw/zinc/37/55/45/265375545.db2.gz VJOXFQJCRUXOIB-LBPRGKRZSA-N 1 0 340.383 2.979 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000194704800 265381644 /nfs/dbraw/zinc/38/16/44/265381644.db2.gz QORWNQBSBGFMGL-UHFFFAOYSA-N 1 0 334.420 2.635 10 5 EFBERO CC[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778240 266379370 /nfs/dbraw/zinc/37/93/70/266379370.db2.gz RCILCKIAMKEGMD-CXAGYDPISA-N 1 0 346.431 2.996 10 5 EFBERO CC[C@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778242 266379844 /nfs/dbraw/zinc/37/98/44/266379844.db2.gz RCILCKIAMKEGMD-DYVFJYSZSA-N 1 0 346.431 2.996 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273173703 266460708 /nfs/dbraw/zinc/46/07/08/266460708.db2.gz ICZBTIFNEASNMX-NSHDSACASA-N 1 0 343.836 2.551 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000276592127 267018990 /nfs/dbraw/zinc/01/89/90/267018990.db2.gz NDCZAGZGHDECQP-GFCCVEGCSA-N 1 0 325.796 2.723 10 5 EFBERO COC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000277042964 267104592 /nfs/dbraw/zinc/10/45/92/267104592.db2.gz PIDOHMQDOAQMBN-XJKSGUPXSA-N 1 0 347.415 2.610 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514581 267189072 /nfs/dbraw/zinc/18/90/72/267189072.db2.gz DXSDSDYZKWBKKP-HOCLYGCPSA-N 1 0 343.431 2.956 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839747 267276217 /nfs/dbraw/zinc/27/62/17/267276217.db2.gz LXHIKNXEGUPPHP-GBIKHYSHSA-N 1 0 341.795 2.590 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277889794 267291272 /nfs/dbraw/zinc/29/12/72/267291272.db2.gz DHSUFYUOEMRPAD-UHFFFAOYSA-N 1 0 325.796 2.724 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000269738835 273089756 /nfs/dbraw/zinc/08/97/56/273089756.db2.gz YDCSEDLIEWFXJL-GDBMZVCRSA-N 1 0 348.447 2.509 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000269738838 273089842 /nfs/dbraw/zinc/08/98/42/273089842.db2.gz YDCSEDLIEWFXJL-ZBFHGGJFSA-N 1 0 348.447 2.509 10 5 EFBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271117779 273098990 /nfs/dbraw/zinc/09/89/90/273098990.db2.gz WWMYQBVGPLHLNL-ZDUSSCGKSA-N 1 0 330.340 2.850 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000280195424 273301132 /nfs/dbraw/zinc/30/11/32/273301132.db2.gz DIYQTQCLXVSDHO-CQSZACIVSA-N 1 0 348.447 2.655 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280280983 273310881 /nfs/dbraw/zinc/31/08/81/273310881.db2.gz DOOBRRSRHLHYGK-OLZOCXBDSA-N 1 0 335.404 2.548 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497369 273571412 /nfs/dbraw/zinc/57/14/12/273571412.db2.gz XXLWNNIJVXWYSP-GJZGRUSLSA-N 1 0 330.388 2.908 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282667720 273597418 /nfs/dbraw/zinc/59/74/18/273597418.db2.gz JFZZPNZISNLMEZ-NBQNJAIASA-N 1 0 346.427 2.765 10 5 EFBERO C[C@H](C[NH+]1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000285960402 274107493 /nfs/dbraw/zinc/10/74/93/274107493.db2.gz AMPXGIRLJZXGND-LLVKDONJSA-N 1 0 331.376 2.530 10 5 EFBERO Cc1c(Br)c(N[C@H]2CCC[NH2+][C@@H]2C)ncc1[N+](=O)[O-] ZINC000229608769 274658422 /nfs/dbraw/zinc/65/84/22/274658422.db2.gz GXWGACBPYPVAJU-BDAKNGLRSA-N 1 0 329.198 2.613 10 5 EFBERO O=[N+]([O-])c1c(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc2sccn21 ZINC000264658059 275032653 /nfs/dbraw/zinc/03/26/53/275032653.db2.gz YAQYKTGOTWGDBY-GFCCVEGCSA-N 1 0 335.433 2.759 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245386480 275032858 /nfs/dbraw/zinc/03/28/58/275032858.db2.gz NUWMFULANRMEBW-NSHDSACASA-N 1 0 326.194 2.642 10 5 EFBERO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000245776747 276053273 /nfs/dbraw/zinc/05/32/73/276053273.db2.gz SUIDUBCXRVWDFZ-DNVCBOLYSA-N 1 0 347.459 2.871 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266277891 276212339 /nfs/dbraw/zinc/21/23/39/276212339.db2.gz QJYKZGKRGSSRHW-JTQLQIEISA-N 1 0 345.321 2.685 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984019 276695792 /nfs/dbraw/zinc/69/57/92/276695792.db2.gz HUHIMDVDZKNTAN-CJNGLKHVSA-N 1 0 341.415 2.731 10 5 EFBERO COCC[C@H](COC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000353639773 277239774 /nfs/dbraw/zinc/23/97/74/277239774.db2.gz FKQNWSVAIWJIPH-USXIJHARSA-N 1 0 336.432 2.947 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184917133 279144988 /nfs/dbraw/zinc/14/49/88/279144988.db2.gz DKLZCDMUEGQPMK-RYUDHWBXSA-N 1 0 325.384 2.684 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000342936589 279397122 /nfs/dbraw/zinc/39/71/22/279397122.db2.gz XTFWKUAYHYQFAE-SWLSCSKDSA-N 1 0 344.415 2.878 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364747059 280191144 /nfs/dbraw/zinc/19/11/44/280191144.db2.gz XJLFBKNUHFWHBV-ABAIWWIYSA-N 1 0 337.807 2.852 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000125980872 293023495 /nfs/dbraw/zinc/02/34/95/293023495.db2.gz KVAJYQIZJJAHSL-UHFFFAOYSA-N 1 0 348.447 2.559 10 5 EFBERO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCCO1 ZINC000126016723 293024262 /nfs/dbraw/zinc/02/42/62/293024262.db2.gz FMSZKEBEXTUKEO-CQSZACIVSA-N 1 0 332.360 2.646 10 5 EFBERO CCOc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000129589579 293138382 /nfs/dbraw/zinc/13/83/82/293138382.db2.gz JRIMDJFKGPOKDN-UHFFFAOYSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1csc(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130115289 293155052 /nfs/dbraw/zinc/15/50/52/293155052.db2.gz LKEZDRGHRYKSOT-UHFFFAOYSA-N 1 0 346.412 2.963 10 5 EFBERO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1=O ZINC000290817064 294193659 /nfs/dbraw/zinc/19/36/59/294193659.db2.gz GRFFDOJLSQWRMO-SNVBAGLBSA-N 1 0 332.187 2.612 10 5 EFBERO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1=O ZINC000290817063 294193972 /nfs/dbraw/zinc/19/39/72/294193972.db2.gz GRFFDOJLSQWRMO-JTQLQIEISA-N 1 0 332.187 2.612 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000291039242 294255648 /nfs/dbraw/zinc/25/56/48/294255648.db2.gz ARQPXJMOOXTTLA-OAHLLOKOSA-N 1 0 327.331 2.885 10 5 EFBERO COc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000291207273 294310178 /nfs/dbraw/zinc/31/01/78/294310178.db2.gz GSKHENSANLVGHG-INIZCTEOSA-N 1 0 339.367 2.754 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000291272555 294331905 /nfs/dbraw/zinc/33/19/05/294331905.db2.gz LLVIRXRDMPOMPC-OAHLLOKOSA-N 1 0 328.315 2.852 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294351725 295152036 /nfs/dbraw/zinc/15/20/36/295152036.db2.gz YMJGCXCMNZSEOV-QZEGLACASA-N 1 0 343.427 2.942 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593281 295191138 /nfs/dbraw/zinc/19/11/38/295191138.db2.gz CWOUWDARPDMZDV-WBMJQRKESA-N 1 0 340.383 2.633 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@H](O)C3)s2)cc1 ZINC000294819874 295232724 /nfs/dbraw/zinc/23/27/24/295232724.db2.gz OTCDKVINEIXADH-CQSZACIVSA-N 1 0 334.397 2.516 10 5 EFBERO Cc1cccnc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295105455 295268559 /nfs/dbraw/zinc/26/85/59/295268559.db2.gz VLJNDXRUYUFBSS-AWEZNQCLSA-N 1 0 342.399 2.848 10 5 EFBERO O=[N+]([O-])c1ccc2c(ccnc2NCCCC[NH+]2CCOCC2)c1 ZINC000295509180 295332759 /nfs/dbraw/zinc/33/27/59/295332759.db2.gz LHYCDQQYQAIPSD-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000295570174 295342473 /nfs/dbraw/zinc/34/24/73/295342473.db2.gz YSCDHPPCTUXFLP-MRXNPFEDSA-N 1 0 339.367 2.756 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172142 297307590 /nfs/dbraw/zinc/30/75/90/297307590.db2.gz IEUCMCVHFWYPAA-UOUZQGKXSA-N 1 0 343.427 2.515 10 5 EFBERO CCN1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000171050631 310741684 /nfs/dbraw/zinc/74/16/84/310741684.db2.gz GMOFGDBSHVHFJY-INIZCTEOSA-N 1 0 343.431 2.569 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000298740988 311019384 /nfs/dbraw/zinc/01/93/84/311019384.db2.gz JQHRIVYOBKQYSJ-CZUORRHYSA-N 1 0 331.416 2.894 10 5 EFBERO Cc1sc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000299000001 311040755 /nfs/dbraw/zinc/04/07/55/311040755.db2.gz QAMBDICMJPWUIY-AWEZNQCLSA-N 1 0 347.440 2.867 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000299686052 311111078 /nfs/dbraw/zinc/11/10/78/311111078.db2.gz XTTYDZOIRADLJB-AWEZNQCLSA-N 1 0 333.413 2.997 10 5 EFBERO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301630287 311148784 /nfs/dbraw/zinc/14/87/84/311148784.db2.gz BDPAZYQUXGKXGA-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO COC(=O)c1cc(NCC[N@@H+]2CCC[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000301688401 311152146 /nfs/dbraw/zinc/15/21/46/311152146.db2.gz MOYSEGLBISTLAW-GFCCVEGCSA-N 1 0 335.404 2.834 10 5 EFBERO COC(=O)c1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695680 311152668 /nfs/dbraw/zinc/15/26/68/311152668.db2.gz POAKSIGDTWNURK-GXTWGEPZSA-N 1 0 335.404 2.975 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301703432 311153616 /nfs/dbraw/zinc/15/36/16/311153616.db2.gz UPNFTAIGQNVCBK-CQSZACIVSA-N 1 0 335.404 2.976 10 5 EFBERO Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301814924 311159919 /nfs/dbraw/zinc/15/99/19/311159919.db2.gz INBJEYGTLWJINZ-KRWDZBQOSA-N 1 0 333.432 2.984 10 5 EFBERO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301868838 311163701 /nfs/dbraw/zinc/16/37/01/311163701.db2.gz CFAIYXQFBUDYQK-KBPBESRZSA-N 1 0 346.435 2.808 10 5 EFBERO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)nc1 ZINC000302095386 311177637 /nfs/dbraw/zinc/17/76/37/311177637.db2.gz IUWJGELEIDRFRY-UHFFFAOYSA-N 1 0 327.388 2.983 10 5 EFBERO CC1=CC[N@H+](CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000302175488 311182681 /nfs/dbraw/zinc/18/26/81/311182681.db2.gz WBBGHKTZJWTUBS-UHFFFAOYSA-N 1 0 346.431 2.797 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1N1CCC(C[NH+]3CCCC3)CC1)CCN2 ZINC000302829599 311203435 /nfs/dbraw/zinc/20/34/35/311203435.db2.gz JXMGVQHHTRUNOT-UHFFFAOYSA-N 1 0 330.432 2.875 10 5 EFBERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312697395 311230943 /nfs/dbraw/zinc/23/09/43/311230943.db2.gz NJCJXUPAVKHVEX-NHCYSSNCSA-N 1 0 340.221 2.839 10 5 EFBERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312697391 311231019 /nfs/dbraw/zinc/23/10/19/311231019.db2.gz NJCJXUPAVKHVEX-HOSYDEDBSA-N 1 0 340.221 2.839 10 5 EFBERO [NH3+][C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842992 312057581 /nfs/dbraw/zinc/05/75/81/312057581.db2.gz ZZHKXFDLYGUYSQ-CQSZACIVSA-N 1 0 337.326 2.986 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000414997140 312073873 /nfs/dbraw/zinc/07/38/73/312073873.db2.gz HFDHAIOEUBIACW-JGGQBBKZSA-N 1 0 339.386 2.893 10 5 EFBERO Cc1c(NC(=O)NCC(C)(C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415668515 312163088 /nfs/dbraw/zinc/16/30/88/312163088.db2.gz ZYIGYWCZERQTLL-UHFFFAOYSA-N 1 0 345.197 2.525 10 5 EFBERO NC(=O)C1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417307666 312206512 /nfs/dbraw/zinc/20/65/12/312206512.db2.gz GDODFKFCYKBWFM-KVULBXGLSA-N 1 0 331.416 2.996 10 5 EFBERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304593 312206541 /nfs/dbraw/zinc/20/65/41/312206541.db2.gz CESMBUZBTZKGQI-RHSMWYFYSA-N 1 0 346.431 2.756 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417818189 312274828 /nfs/dbraw/zinc/27/48/28/312274828.db2.gz AQNDBILGRQCIAR-CZUORRHYSA-N 1 0 342.399 2.963 10 5 EFBERO Cc1c(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000418078561 312321886 /nfs/dbraw/zinc/32/18/86/312321886.db2.gz JOZMKLZAAZZTGC-CYBMUJFWSA-N 1 0 342.399 2.922 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423965315 312490661 /nfs/dbraw/zinc/49/06/61/312490661.db2.gz GAIGJOWEHHKYPP-SWLSCSKDSA-N 1 0 343.383 2.945 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423973087 312492348 /nfs/dbraw/zinc/49/23/48/312492348.db2.gz MMMFPIUOEVOYAW-ABAIWWIYSA-N 1 0 337.807 2.852 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CO)CC3(CCC3)C2)n1 ZINC000433062432 312594547 /nfs/dbraw/zinc/59/45/47/312594547.db2.gz TWSIMXWLPHRQDF-CABCVRRESA-N 1 0 348.447 2.807 10 5 EFBERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236824 312883070 /nfs/dbraw/zinc/88/30/70/312883070.db2.gz OHRDFLQXNMRVRF-OCCSQVGLSA-N 1 0 346.408 2.817 10 5 EFBERO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239372 312884254 /nfs/dbraw/zinc/88/42/54/312884254.db2.gz UCSKRAWVGRGRFJ-TZMCWYRMSA-N 1 0 346.408 2.817 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458194996 313082508 /nfs/dbraw/zinc/08/25/08/313082508.db2.gz BQBTZIQUCBBHTN-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000474783090 313211970 /nfs/dbraw/zinc/21/19/70/313211970.db2.gz DCILBQITTATABK-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO COC(=O)c1cc(NCCC[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000474774389 313212270 /nfs/dbraw/zinc/21/22/70/313212270.db2.gz LBKBGLKYDZEUAW-UHFFFAOYSA-N 1 0 335.404 2.978 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000516958592 315724321 /nfs/dbraw/zinc/72/43/21/315724321.db2.gz IXYIJALBPDFFIV-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531887887 317328224 /nfs/dbraw/zinc/32/82/24/317328224.db2.gz BCBRBAQCBUACFN-QGZVFWFLSA-N 1 0 340.383 2.557 10 5 EFBERO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000553422222 318282853 /nfs/dbraw/zinc/28/28/53/318282853.db2.gz ZYQQUNJLYAZDFE-UHFFFAOYSA-N 1 0 330.340 2.680 10 5 EFBERO CN(CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cc[nH+]cc1 ZINC000554070665 318300126 /nfs/dbraw/zinc/30/01/26/318300126.db2.gz WYFXRBKAOPJGLZ-UHFFFAOYSA-N 1 0 342.399 2.868 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565895596 319012957 /nfs/dbraw/zinc/01/29/57/319012957.db2.gz VJVLJDSEXUCUNZ-QGZVFWFLSA-N 1 0 325.368 2.602 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]([NH+]3CCCCC3)C1)CCCC2 ZINC000565947674 319017201 /nfs/dbraw/zinc/01/72/01/319017201.db2.gz ZQIVVLLYNWURJB-OAHLLOKOSA-N 1 0 330.432 2.933 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000566103807 319032752 /nfs/dbraw/zinc/03/27/52/319032752.db2.gz MPAFHVXCAAMICY-TUAOUCFPSA-N 1 0 337.445 2.762 10 5 EFBERO C[C@@](O)(C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000566129071 319037015 /nfs/dbraw/zinc/03/70/15/319037015.db2.gz VFMRYNGPJMKTTR-CYBMUJFWSA-N 1 0 331.294 2.522 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000568069302 319243467 /nfs/dbraw/zinc/24/34/67/319243467.db2.gz PMSAVEJRHVOMJQ-CQSZACIVSA-N 1 0 333.432 2.937 10 5 EFBERO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000568150318 319250278 /nfs/dbraw/zinc/25/02/78/319250278.db2.gz CKFJVQJBWRUJRU-UHFFFAOYSA-N 1 0 337.807 2.521 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3C3(O)CC3)n2)cc1 ZINC000568363820 319275638 /nfs/dbraw/zinc/27/56/38/319275638.db2.gz LAQFKPYLDWZYSR-AWEZNQCLSA-N 1 0 344.371 2.524 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110487 319349310 /nfs/dbraw/zinc/34/93/10/319349310.db2.gz GQVJTLOPINNRDZ-MUKKUYKPSA-N 1 0 342.395 2.858 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2cccc(F)c2)c1 ZINC000569715503 319407460 /nfs/dbraw/zinc/40/74/60/319407460.db2.gz NFHQPXRNIAVJCK-QGZVFWFLSA-N 1 0 348.374 2.696 10 5 EFBERO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956518 319529456 /nfs/dbraw/zinc/52/94/56/319529456.db2.gz SFZQWQDOEMUGJY-ZIAGYGMSSA-N 1 0 340.445 2.927 10 5 EFBERO CC(C)[C@@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000572993133 319724206 /nfs/dbraw/zinc/72/42/06/319724206.db2.gz OQPKUBAHGMSVMJ-YOEHRIQHSA-N 1 0 349.431 2.964 10 5 EFBERO COCc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000573899259 319808859 /nfs/dbraw/zinc/80/88/59/319808859.db2.gz JLCVHYWURZNPSM-UHFFFAOYSA-N 1 0 330.344 2.543 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000575040344 319918921 /nfs/dbraw/zinc/91/89/21/319918921.db2.gz UZXIYOJKNGSZEB-SECBINFHSA-N 1 0 332.200 2.626 10 5 EFBERO COC1CCC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577275201 320094993 /nfs/dbraw/zinc/09/49/93/320094993.db2.gz NYCWTDYOCSZBIL-UHFFFAOYSA-N 1 0 335.404 2.718 10 5 EFBERO NC(=O)c1csc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000578095146 320172589 /nfs/dbraw/zinc/17/25/89/320172589.db2.gz CESBOBZRAWUMSZ-UHFFFAOYSA-N 1 0 344.396 2.569 10 5 EFBERO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000578176294 320180682 /nfs/dbraw/zinc/18/06/82/320180682.db2.gz ALUJMZXYZOVASB-UHFFFAOYSA-N 1 0 343.387 2.968 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000578754355 320236621 /nfs/dbraw/zinc/23/66/21/320236621.db2.gz ZKTPPAIUNITGBU-MLGOLLRUSA-N 1 0 337.420 2.619 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184452570 323364572 /nfs/dbraw/zinc/36/45/72/323364572.db2.gz XQUQRSMVSKSSMT-JSGCOSHPSA-N 1 0 337.395 2.780 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCC1(SC)CC[NH+](C)CC1 ZINC000579375971 323946346 /nfs/dbraw/zinc/94/63/46/323946346.db2.gz DJJNAKPCUXCEAZ-UHFFFAOYSA-N 1 0 325.434 2.843 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH2+]C[C@H]2C(F)F)o1 ZINC000580952661 324274008 /nfs/dbraw/zinc/27/40/08/324274008.db2.gz ONFKSQOGGMBIKJ-AWEZNQCLSA-N 1 0 337.326 2.894 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000581373043 324363957 /nfs/dbraw/zinc/36/39/57/324363957.db2.gz HXNDGFXHGRSIDE-SMDDNHRTSA-N 1 0 334.376 2.532 10 5 EFBERO C[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178556 472494881 /nfs/dbraw/zinc/49/48/81/472494881.db2.gz LQLIHSYBGXDVMQ-TVQRCGJNSA-N 1 0 328.210 2.921 10 5 EFBERO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161264606 473221400 /nfs/dbraw/zinc/22/14/00/473221400.db2.gz QRDFNBPUPOUHDD-HNNXBMFYSA-N 1 0 329.404 2.628 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124482025 473250921 /nfs/dbraw/zinc/25/09/21/473250921.db2.gz JAQVMDFJLWNPFI-OCCSQVGLSA-N 1 0 335.404 2.548 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000124514749 473254670 /nfs/dbraw/zinc/25/46/70/473254670.db2.gz CHCQVIIJJAZKRD-WDEREUQCSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124573130 473265845 /nfs/dbraw/zinc/26/58/45/473265845.db2.gz YNDLMYCBWJDULQ-JQWIXIFHSA-N 1 0 325.796 2.803 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081997859 473284631 /nfs/dbraw/zinc/28/46/31/473284631.db2.gz YUWPUTMLKYSMAT-UHFFFAOYSA-N 1 0 349.431 2.522 10 5 EFBERO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162142756 473308610 /nfs/dbraw/zinc/30/86/10/473308610.db2.gz GAEPCNWFDPVMED-JTQLQIEISA-N 1 0 339.193 2.732 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000083026651 473313061 /nfs/dbraw/zinc/31/30/61/473313061.db2.gz CEMZIWNTPFONHM-HUUCEWRRSA-N 1 0 349.431 2.522 10 5 EFBERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000124986702 473336014 /nfs/dbraw/zinc/33/60/14/473336014.db2.gz YGHRVISJZHJHSY-OCCSQVGLSA-N 1 0 337.807 2.739 10 5 EFBERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000124986428 473336520 /nfs/dbraw/zinc/33/65/20/473336520.db2.gz YGHRVISJZHJHSY-TZMCWYRMSA-N 1 0 337.807 2.739 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000125195163 473372417 /nfs/dbraw/zinc/37/24/17/473372417.db2.gz AEVKNLXWPDJVFK-CJNGLKHVSA-N 1 0 333.432 2.634 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113233309 473374041 /nfs/dbraw/zinc/37/40/41/473374041.db2.gz RIYRGDKRQRKRFH-NWDGAFQWSA-N 1 0 335.429 2.625 10 5 EFBERO C[NH+](C)C1CC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000622008236 479880041 /nfs/dbraw/zinc/88/00/41/479880041.db2.gz FGQCGWAIYXYEPU-UHFFFAOYSA-N 1 0 335.407 2.504 10 5 EFBERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599934974 479475170 /nfs/dbraw/zinc/47/51/70/479475170.db2.gz TZBIYRIEELQRDR-BMFZPTHFSA-N 1 0 346.431 2.624 10 5 EFBERO CCC[NH+]1CCC(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000008157604 471668445 /nfs/dbraw/zinc/66/84/45/471668445.db2.gz WRPZGFVGEUQPBC-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCC1 ZINC000008375658 471684544 /nfs/dbraw/zinc/68/45/44/471684544.db2.gz LFSIMTJLMLNSCX-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718686 472188994 /nfs/dbraw/zinc/18/89/94/472188994.db2.gz BFKBLJBTCJFVLQ-SJORKVTESA-N 1 0 346.475 2.758 10 5 EFBERO Cc1sc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000043732720 472258755 /nfs/dbraw/zinc/25/87/55/472258755.db2.gz RYVBJPMHMPPLSV-UHFFFAOYSA-N 1 0 325.434 2.817 10 5 EFBERO CNC(=O)c1ccc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068996786 472275659 /nfs/dbraw/zinc/27/56/59/472275659.db2.gz BVNFAEPNFRWPJO-UHFFFAOYSA-N 1 0 334.420 2.631 10 5 EFBERO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088250393 472352104 /nfs/dbraw/zinc/35/21/04/472352104.db2.gz WLDBRQTXAGRGMG-UHFFFAOYSA-N 1 0 337.401 2.762 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076486765 472354297 /nfs/dbraw/zinc/35/42/97/472354297.db2.gz OIPFCRZJCWKAKF-ZBFHGGJFSA-N 1 0 348.447 2.586 10 5 EFBERO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000069528905 472364437 /nfs/dbraw/zinc/36/44/37/472364437.db2.gz IFFCTQGAMXMFFX-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[S@@](=O)c1ccccc1 ZINC000069630784 472386267 /nfs/dbraw/zinc/38/62/67/472386267.db2.gz HKLPYDDZQUFDRU-DEOSSOPVSA-N 1 0 348.424 2.891 10 5 EFBERO COc1cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389447 479984205 /nfs/dbraw/zinc/98/42/05/479984205.db2.gz MSQXJWRIUYVIGU-BBRMVZONSA-N 1 0 330.384 2.858 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031825774 472398054 /nfs/dbraw/zinc/39/80/54/472398054.db2.gz OMROGPKXTJTEHP-GFCCVEGCSA-N 1 0 334.420 2.629 10 5 EFBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000128176306 472412057 /nfs/dbraw/zinc/41/20/57/472412057.db2.gz CKTKCNDWPQJCQC-OAHLLOKOSA-N 1 0 345.399 2.617 10 5 EFBERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000089652352 472479879 /nfs/dbraw/zinc/47/98/79/472479879.db2.gz QNTHNVZFQZTPGF-HNNXBMFYSA-N 1 0 341.415 2.967 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)co2)cc1 ZINC000089912594 472544125 /nfs/dbraw/zinc/54/41/25/472544125.db2.gz ZTMFHDDTQFKDMI-QGZVFWFLSA-N 1 0 342.399 2.920 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000129734577 472563053 /nfs/dbraw/zinc/56/30/53/472563053.db2.gz GIDBOTILOIMKEC-ABAIWWIYSA-N 1 0 332.404 2.620 10 5 EFBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCCC1 ZINC000130224984 472590403 /nfs/dbraw/zinc/59/04/03/472590403.db2.gz AUXIUYBWQVUFPY-CYBMUJFWSA-N 1 0 344.415 2.928 10 5 EFBERO C[C@@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119887318 472597002 /nfs/dbraw/zinc/59/70/02/472597002.db2.gz KFKSUOLLWJFWGR-GFCCVEGCSA-N 1 0 330.388 2.538 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046859433 472611594 /nfs/dbraw/zinc/61/15/94/472611594.db2.gz QMOMFYMDLNUFJA-ZDUSSCGKSA-N 1 0 335.404 2.598 10 5 EFBERO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409763 472614900 /nfs/dbraw/zinc/61/49/00/472614900.db2.gz GAMFCWHACADWCM-GDBMZVCRSA-N 1 0 334.420 2.829 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000090517878 472628638 /nfs/dbraw/zinc/62/86/38/472628638.db2.gz YFWHOOWWXKBLBA-MRXNPFEDSA-N 1 0 345.374 2.603 10 5 EFBERO CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090526910 472630757 /nfs/dbraw/zinc/63/07/57/472630757.db2.gz HEKYHIJCLCFZMP-DYVFJYSZSA-N 1 0 346.431 2.829 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000130977833 472641077 /nfs/dbraw/zinc/64/10/77/472641077.db2.gz SFUAAWYRSNURDU-SNVBAGLBSA-N 1 0 339.193 2.905 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047016787 472642034 /nfs/dbraw/zinc/64/20/34/472642034.db2.gz BBBHVXPHSZVDAU-UHFFFAOYSA-N 1 0 334.420 2.540 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000156009752 472654849 /nfs/dbraw/zinc/65/48/49/472654849.db2.gz UUJJLFOFARXCEJ-CYBMUJFWSA-N 1 0 344.415 2.926 10 5 EFBERO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000104097223 472656801 /nfs/dbraw/zinc/65/68/01/472656801.db2.gz JJIDRIXCRMATSZ-JJEJIETFSA-N 1 0 329.400 2.695 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047145280 472659831 /nfs/dbraw/zinc/65/98/31/472659831.db2.gz GTVGBHULUYNHEX-CYBMUJFWSA-N 1 0 346.431 2.773 10 5 EFBERO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000078307346 472692110 /nfs/dbraw/zinc/69/21/10/472692110.db2.gz SRKBLSCGCGJEGK-HNNXBMFYSA-N 1 0 341.415 2.612 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000120841520 472755070 /nfs/dbraw/zinc/75/50/70/472755070.db2.gz FJQBUTPRRSAUIN-JSGCOSHPSA-N 1 0 332.404 2.912 10 5 EFBERO CCc1nn(C)c(N2CCC[C@H]([NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000091482511 472772490 /nfs/dbraw/zinc/77/24/90/472772490.db2.gz YSDOYHXCQJAYSG-AWEZNQCLSA-N 1 0 335.452 2.736 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802167 472777455 /nfs/dbraw/zinc/77/74/55/472777455.db2.gz MWUHTRGPVVTWMX-HIFRSBDPSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@H]1C[NH+](CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000079021916 472807692 /nfs/dbraw/zinc/80/76/92/472807692.db2.gz SCGMNKQRTCNGCP-GJZGRUSLSA-N 1 0 348.447 2.706 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063812611 472816313 /nfs/dbraw/zinc/81/63/13/472816313.db2.gz CHCHUPQBQKVZFY-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000121375803 472842981 /nfs/dbraw/zinc/84/29/81/472842981.db2.gz HOMVDDVLHBAXHQ-KRWDZBQOSA-N 1 0 327.384 2.936 10 5 EFBERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000157782112 472859025 /nfs/dbraw/zinc/85/90/25/472859025.db2.gz UBLGBKKZXRNXJP-UHFFFAOYSA-N 1 0 348.428 2.863 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000157828422 472863404 /nfs/dbraw/zinc/86/34/04/472863404.db2.gz HHPXJRSCRHEDLR-LLVKDONJSA-N 1 0 341.358 2.723 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072970 472929201 /nfs/dbraw/zinc/92/92/01/472929201.db2.gz JWFRYELYGPXMJG-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079983752 472953130 /nfs/dbraw/zinc/95/31/30/472953130.db2.gz CWXCNFMGEFDQFZ-KBPBESRZSA-N 1 0 334.420 2.829 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012921 472961381 /nfs/dbraw/zinc/96/13/81/472961381.db2.gz BITFXYOAUFUVQO-ZFWWWQNUSA-N 1 0 336.436 2.931 10 5 EFBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566803 473039942 /nfs/dbraw/zinc/03/99/42/473039942.db2.gz DNJJNYNDOGQESE-GXTWGEPZSA-N 1 0 343.383 2.941 10 5 EFBERO O=C1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1 ZINC000093101437 473043370 /nfs/dbraw/zinc/04/33/70/473043370.db2.gz CQCXFNSTCIHWME-UHFFFAOYSA-N 1 0 349.774 2.830 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051377027 473044461 /nfs/dbraw/zinc/04/44/61/473044461.db2.gz IOFMOWXAENXHBM-GFCCVEGCSA-N 1 0 346.412 2.542 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000122817854 473062166 /nfs/dbraw/zinc/06/21/66/473062166.db2.gz RAAWDAGIYVCTRE-DZKIICNBSA-N 1 0 348.447 2.992 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135433643 473072181 /nfs/dbraw/zinc/07/21/81/473072181.db2.gz CQXGILKRUFLAQW-ZDUSSCGKSA-N 1 0 332.404 2.536 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160752405 473171506 /nfs/dbraw/zinc/17/15/06/473171506.db2.gz JURNTKDXBWKOMS-QAPCUYQASA-N 1 0 334.416 2.991 10 5 EFBERO CCOCC[N@@H+]1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1CC ZINC000185365923 473406717 /nfs/dbraw/zinc/40/67/17/473406717.db2.gz SNRYDXDRBKJMPY-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO Cc1sc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185423580 473422754 /nfs/dbraw/zinc/42/27/54/473422754.db2.gz MOHMDTQTLQJIOB-NSHDSACASA-N 1 0 325.434 2.959 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185425300 473424148 /nfs/dbraw/zinc/42/41/48/473424148.db2.gz PPXATGXITUQOEH-VOMSXAGXSA-N 1 0 329.400 2.599 10 5 EFBERO CCC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300239 473440585 /nfs/dbraw/zinc/44/05/85/473440585.db2.gz YPHNVVDQEQZIOB-ROUUACIJSA-N 1 0 335.448 2.872 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651497 473478586 /nfs/dbraw/zinc/47/85/86/473478586.db2.gz MDEPUHHPIJYDLT-DLBZAZTESA-N 1 0 334.416 2.967 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](CC)CC)c2)n1 ZINC000191524943 473550252 /nfs/dbraw/zinc/55/02/52/473550252.db2.gz OUDFMJLILFXLGD-UHFFFAOYSA-N 1 0 345.403 2.905 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@H](c3nncn3C3CC3)C2)cs1 ZINC000152474544 473567416 /nfs/dbraw/zinc/56/74/16/473567416.db2.gz ZJKXNBIWJDDSLX-LBPRGKRZSA-N 1 0 333.417 2.962 10 5 EFBERO O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000191678750 473568129 /nfs/dbraw/zinc/56/81/29/473568129.db2.gz LDGJJOAWUPYIGR-GFCCVEGCSA-N 1 0 336.342 2.949 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000186401100 473669007 /nfs/dbraw/zinc/66/90/07/473669007.db2.gz MAVMQBWYMUEYDJ-WSYSLRRZSA-N 1 0 331.416 2.798 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000186401118 473669334 /nfs/dbraw/zinc/66/93/34/473669334.db2.gz MAVMQBWYMUEYDJ-UKYUDJEDSA-N 1 0 331.416 2.798 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172703445 473673961 /nfs/dbraw/zinc/67/39/61/473673961.db2.gz JNBMDCFJIQHAIF-QGZVFWFLSA-N 1 0 327.384 2.556 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000172765209 473681802 /nfs/dbraw/zinc/68/18/02/473681802.db2.gz UVAQFIIYYQUUDL-DOMZBBRYSA-N 1 0 346.431 2.646 10 5 EFBERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000281391796 473705172 /nfs/dbraw/zinc/70/51/72/473705172.db2.gz MYFLTIJUWNGXLN-QGZVFWFLSA-N 1 0 330.388 2.934 10 5 EFBERO O=C(NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192765578 473721825 /nfs/dbraw/zinc/72/18/25/473721825.db2.gz HYHXLCDQHFYYFT-GOSISDBHSA-N 1 0 339.395 2.992 10 5 EFBERO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245619153 473727376 /nfs/dbraw/zinc/72/73/76/473727376.db2.gz WFBOAUCKXGNQFW-JKSUJKDBSA-N 1 0 330.388 2.805 10 5 EFBERO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245970169 473768925 /nfs/dbraw/zinc/76/89/25/473768925.db2.gz NYALQTLXRURIMD-YSVLISHTSA-N 1 0 346.431 2.782 10 5 EFBERO O=C1[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246164963 473790900 /nfs/dbraw/zinc/79/09/00/473790900.db2.gz JAEBRDDKCYYILM-GRDNDAEWSA-N 1 0 329.400 2.822 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000180097797 473797614 /nfs/dbraw/zinc/79/76/14/473797614.db2.gz GJFJDJRYQUCOMM-SJORKVTESA-N 1 0 343.358 2.909 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180109833 473801695 /nfs/dbraw/zinc/80/16/95/473801695.db2.gz HSOQJKBVQAUOHL-MJGOQNOKSA-N 1 0 339.395 2.699 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444467 473841254 /nfs/dbraw/zinc/84/12/54/473841254.db2.gz RSTOWQFFSIGCJM-UKRRQHHQSA-N 1 0 329.404 2.648 10 5 EFBERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654230 473907065 /nfs/dbraw/zinc/90/70/65/473907065.db2.gz NECUXBOMNGCQRC-HOCLYGCPSA-N 1 0 348.403 2.535 10 5 EFBERO C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270072223 473978880 /nfs/dbraw/zinc/97/88/80/473978880.db2.gz ZMDDXPNMTAGZOH-YCPHGPKFSA-N 1 0 329.404 2.576 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000194941984 473980098 /nfs/dbraw/zinc/98/00/98/473980098.db2.gz LTNWQEHUXSUQKE-UHFFFAOYSA-N 1 0 348.447 2.858 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188103016 473982491 /nfs/dbraw/zinc/98/24/91/473982491.db2.gz MNHBFRBIMPAPJK-RDJZCZTQSA-N 1 0 332.425 2.907 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000195075289 474000783 /nfs/dbraw/zinc/00/07/83/474000783.db2.gz SVHKMBHTTACZFN-HNNXBMFYSA-N 1 0 346.387 2.704 10 5 EFBERO CCOCC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000246970552 474020127 /nfs/dbraw/zinc/02/01/27/474020127.db2.gz KFTPNEROSYLHPW-CYBMUJFWSA-N 1 0 341.839 2.791 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985406 474024684 /nfs/dbraw/zinc/02/46/84/474024684.db2.gz JWHNRUZRJFNWGH-SUMWQHHRSA-N 1 0 349.431 2.623 10 5 EFBERO CC[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561146 474049272 /nfs/dbraw/zinc/04/92/72/474049272.db2.gz ICLIGAXIKDRREG-NVXWUHKLSA-N 1 0 334.372 2.806 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561207 474062589 /nfs/dbraw/zinc/06/25/89/474062589.db2.gz BUDJCSRTXDPAOY-OAHLLOKOSA-N 1 0 331.416 2.851 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247106043 474064693 /nfs/dbraw/zinc/06/46/93/474064693.db2.gz QUHVYDULXAFACE-HIFRSBDPSA-N 1 0 334.420 2.748 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275109628 474073559 /nfs/dbraw/zinc/07/35/59/474073559.db2.gz MVISZJIAZXXUPW-PWSUYJOCSA-N 1 0 345.321 2.656 10 5 EFBERO O=C(NC1CC[NH+](CC2CC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195496748 474083102 /nfs/dbraw/zinc/08/31/02/474083102.db2.gz DBBPRLROXGSPGZ-UHFFFAOYSA-N 1 0 342.399 2.680 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247300825 474113022 /nfs/dbraw/zinc/11/30/22/474113022.db2.gz LKKAYALMRMXFHP-ZWNOBZJWSA-N 1 0 325.796 2.707 10 5 EFBERO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221104 474125999 /nfs/dbraw/zinc/12/59/99/474125999.db2.gz AAYXFMPSVZPDTM-MRXNPFEDSA-N 1 0 348.374 2.648 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247448667 474148748 /nfs/dbraw/zinc/14/87/48/474148748.db2.gz SNQFRDMFPXUULG-WCQYABFASA-N 1 0 337.445 2.775 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000270529892 474157471 /nfs/dbraw/zinc/15/74/71/474157471.db2.gz NZGYTQORVLAKSG-YOEHRIQHSA-N 1 0 348.447 2.509 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000270529890 474157796 /nfs/dbraw/zinc/15/77/96/474157796.db2.gz NZGYTQORVLAKSG-WMLDXEAASA-N 1 0 348.447 2.509 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000270529888 474157951 /nfs/dbraw/zinc/15/79/51/474157951.db2.gz NZGYTQORVLAKSG-RHSMWYFYSA-N 1 0 348.447 2.509 10 5 EFBERO CSc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188703062 474171816 /nfs/dbraw/zinc/17/18/16/474171816.db2.gz KCXVVZRVJUNBRA-UHFFFAOYSA-N 1 0 343.408 2.850 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247524725 474172547 /nfs/dbraw/zinc/17/25/47/474172547.db2.gz NSZLKCYHKUVCDA-YJBOKZPZSA-N 1 0 333.432 2.843 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275467870 474197577 /nfs/dbraw/zinc/19/75/77/474197577.db2.gz HNFYVIXKGACVHA-LSDHHAIUSA-N 1 0 328.416 2.965 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275467866 474198131 /nfs/dbraw/zinc/19/81/31/474198131.db2.gz HNFYVIXKGACVHA-GJZGRUSLSA-N 1 0 328.416 2.965 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000188827972 474208582 /nfs/dbraw/zinc/20/85/82/474208582.db2.gz IDBAHEQAIHNDGW-HNNXBMFYSA-N 1 0 332.404 2.995 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175436778 474219254 /nfs/dbraw/zinc/21/92/54/474219254.db2.gz LRVSDNNCTDAHRQ-CHWSQXEVSA-N 1 0 337.807 2.947 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175438695 474219321 /nfs/dbraw/zinc/21/93/21/474219321.db2.gz ZBSBQTYCSPIYBE-WCQYABFASA-N 1 0 337.807 2.947 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000289429327 474266315 /nfs/dbraw/zinc/26/63/15/474266315.db2.gz RTANJHUCJATXRW-OTWHNJEPSA-N 1 0 341.411 2.663 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175773288 474305193 /nfs/dbraw/zinc/30/51/93/474305193.db2.gz DXRNMVOISZPMRZ-KGLIPLIRSA-N 1 0 336.436 2.994 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248557245 474356641 /nfs/dbraw/zinc/35/66/41/474356641.db2.gz ILCGXBIGOGJFMM-GUTXKFCHSA-N 1 0 349.406 2.923 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000183296826 474368447 /nfs/dbraw/zinc/36/84/47/474368447.db2.gz YSAUODZAOUGXEV-LJQANCHMSA-N 1 0 344.411 2.913 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248611245 474376035 /nfs/dbraw/zinc/37/60/35/474376035.db2.gz XQUQRSMVSKSSMT-TZMCWYRMSA-N 1 0 337.395 2.780 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000265942496 474394873 /nfs/dbraw/zinc/39/48/73/474394873.db2.gz IFTFJNGYYRAHQC-AAEUAGOBSA-N 1 0 331.372 2.896 10 5 EFBERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250192 474422010 /nfs/dbraw/zinc/42/20/10/474422010.db2.gz VMLAPKGGPZZRSJ-ZFWWWQNUSA-N 1 0 330.388 2.678 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238021867 474524084 /nfs/dbraw/zinc/52/40/84/474524084.db2.gz GSPGRYNMNPKOQD-NJAFHUGGSA-N 1 0 345.443 2.954 10 5 EFBERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000249200442 474543640 /nfs/dbraw/zinc/54/36/40/474543640.db2.gz QUOGAXHPABVMES-CXAGYDPISA-N 1 0 344.415 2.852 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435582 474586719 /nfs/dbraw/zinc/58/67/19/474586719.db2.gz QNEKLPRETOXPBT-YOEHRIQHSA-N 1 0 348.447 2.504 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000249614847 474600421 /nfs/dbraw/zinc/60/04/21/474600421.db2.gz ZTQDWMYAAHPSBU-STQMWFEESA-N 1 0 337.445 2.676 10 5 EFBERO CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184758474 474601772 /nfs/dbraw/zinc/60/17/72/474601772.db2.gz IYLSUALUKFJBAR-CYBMUJFWSA-N 1 0 344.371 2.537 10 5 EFBERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000249918569 474625011 /nfs/dbraw/zinc/62/50/11/474625011.db2.gz YCISQWRTCRLQON-OLZOCXBDSA-N 1 0 344.415 2.926 10 5 EFBERO Cc1cc(N2CCN(C(=O)C(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272881378 474632811 /nfs/dbraw/zinc/63/28/11/474632811.db2.gz VPHFNNOKPMZHJK-UHFFFAOYSA-N 1 0 342.399 2.756 10 5 EFBERO COC(=O)[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272882619 474633693 /nfs/dbraw/zinc/63/36/93/474633693.db2.gz VXQMVYKZXYDDSX-LBPRGKRZSA-N 1 0 329.356 2.841 10 5 EFBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000284618388 474692537 /nfs/dbraw/zinc/69/25/37/474692537.db2.gz SSASOYIYCSKJTO-UONOGXRCSA-N 1 0 345.321 2.523 10 5 EFBERO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1[NH3+] ZINC000252841585 474713055 /nfs/dbraw/zinc/71/30/55/474713055.db2.gz CFIOBZVIQWTKFO-VHSXEESVSA-N 1 0 343.225 2.624 10 5 EFBERO C[NH+](C)CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273104541 474719302 /nfs/dbraw/zinc/71/93/02/474719302.db2.gz BQQOSKQWFDMGEV-UHFFFAOYSA-N 1 0 345.852 2.798 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000253309276 474720600 /nfs/dbraw/zinc/72/06/00/474720600.db2.gz BXUSZYOKVMWFRR-GOEBONIOSA-N 1 0 341.371 2.557 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000278607589 474733150 /nfs/dbraw/zinc/73/31/50/474733150.db2.gz ZWAGQBPTSODBKT-SJCJKPOMSA-N 1 0 341.415 2.924 10 5 EFBERO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])nc3)CCCC2)CC1 ZINC000344416954 474735453 /nfs/dbraw/zinc/73/54/53/474735453.db2.gz JVHQKYHMHOMCEW-UHFFFAOYSA-N 1 0 334.420 2.825 10 5 EFBERO COc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305864948 474800701 /nfs/dbraw/zinc/80/07/01/474800701.db2.gz ZHKZYRDMRMMKKF-SFHVURJKSA-N 1 0 328.368 2.527 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278730601 474801204 /nfs/dbraw/zinc/80/12/04/474801204.db2.gz LDWCRXYYWJRJOY-RYUDHWBXSA-N 1 0 348.321 2.609 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C(C)C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000292029873 474810105 /nfs/dbraw/zinc/81/01/05/474810105.db2.gz YVTHXNBQALYREN-AWEZNQCLSA-N 1 0 335.404 2.731 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C(C)C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000292029875 474811138 /nfs/dbraw/zinc/81/11/38/474811138.db2.gz YVTHXNBQALYREN-CQSZACIVSA-N 1 0 335.404 2.731 10 5 EFBERO CS[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000273339955 474850308 /nfs/dbraw/zinc/85/03/08/474850308.db2.gz QEKXNXZTIJIHNH-IEWAYXNBSA-N 1 0 349.456 2.502 10 5 EFBERO CCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000339037644 474864295 /nfs/dbraw/zinc/86/42/95/474864295.db2.gz OSZGQLIZMZHPCQ-HNNXBMFYSA-N 1 0 327.388 2.634 10 5 EFBERO COc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000339055292 474887334 /nfs/dbraw/zinc/88/73/34/474887334.db2.gz HXCWDMBWBVILCU-MRXNPFEDSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000273426511 474891418 /nfs/dbraw/zinc/89/14/18/474891418.db2.gz KKZDOFIABMHFQS-OAHLLOKOSA-N 1 0 332.375 2.983 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000273446551 474901315 /nfs/dbraw/zinc/90/13/15/474901315.db2.gz AYHKHAJSWLSAJO-FNDVETGQSA-N 1 0 329.400 2.765 10 5 EFBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000320758761 474916850 /nfs/dbraw/zinc/91/68/50/474916850.db2.gz BGQRADKUCKCHLB-SFYZADRCSA-N 1 0 349.172 2.737 10 5 EFBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000320758760 474916999 /nfs/dbraw/zinc/91/69/99/474916999.db2.gz BGQRADKUCKCHLB-JGVFFNPUSA-N 1 0 349.172 2.737 10 5 EFBERO CCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000339164686 474995733 /nfs/dbraw/zinc/99/57/33/474995733.db2.gz KYQWNQWZVWPBCC-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO CC(C)[N@@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268479376 475004883 /nfs/dbraw/zinc/00/48/83/475004883.db2.gz KLKNEGHTWDKTLW-JTQLQIEISA-N 1 0 329.198 2.647 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261659749 475014200 /nfs/dbraw/zinc/01/42/00/475014200.db2.gz BAQPTBQMZQANSL-FLOBVVSRSA-N 1 0 331.416 2.550 10 5 EFBERO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000285430431 475020816 /nfs/dbraw/zinc/02/08/16/475020816.db2.gz QYYUPFXXUTUNPU-PHIMTYICSA-N 1 0 329.194 2.967 10 5 EFBERO O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000339193211 475024982 /nfs/dbraw/zinc/02/49/82/475024982.db2.gz BMUPZCDRWKIATJ-CYBMUJFWSA-N 1 0 334.294 2.580 10 5 EFBERO Cc1c(C(=O)N(CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000261732632 475044645 /nfs/dbraw/zinc/04/46/45/475044645.db2.gz MZUIPNYMSRGXEJ-UHFFFAOYSA-N 1 0 327.384 2.547 10 5 EFBERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000339265267 475098779 /nfs/dbraw/zinc/09/87/79/475098779.db2.gz OYEIISPIWRZNFN-LBPRGKRZSA-N 1 0 328.372 2.542 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273933224 475125303 /nfs/dbraw/zinc/12/53/03/475125303.db2.gz IIEVBIMEWYKIBO-GFCCVEGCSA-N 1 0 339.411 2.858 10 5 EFBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cccc21 ZINC000345528031 475242094 /nfs/dbraw/zinc/24/20/94/475242094.db2.gz USGDWVBYACJHMY-ZDUSSCGKSA-N 1 0 330.344 2.560 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000361213951 475274116 /nfs/dbraw/zinc/27/41/16/475274116.db2.gz TUZUBJYVEJGWHU-YJBOKZPZSA-N 1 0 345.443 2.716 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000361213948 475274714 /nfs/dbraw/zinc/27/47/14/475274714.db2.gz TUZUBJYVEJGWHU-CRAIPNDOSA-N 1 0 345.443 2.716 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339596440 475331038 /nfs/dbraw/zinc/33/10/38/475331038.db2.gz UEGWQNYQIJFWNQ-DJIMGWMZSA-N 1 0 330.388 2.608 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1n1cccn1 ZINC000339598965 475335983 /nfs/dbraw/zinc/33/59/83/475335983.db2.gz RLYYKJLKIAEEHS-ZACQAIPSSA-N 1 0 330.388 2.608 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172146 475458325 /nfs/dbraw/zinc/45/83/25/475458325.db2.gz IEUCMCVHFWYPAA-YMCQQKJTSA-N 1 0 343.427 2.515 10 5 EFBERO O=C(CC[N@@H+]1CCOC[C@H]1CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000339775381 475489926 /nfs/dbraw/zinc/48/99/26/475489926.db2.gz DRJPOWBEJWCLIH-OAHLLOKOSA-N 1 0 347.415 2.814 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342040139 475523836 /nfs/dbraw/zinc/52/38/36/475523836.db2.gz BXBRJIQBBPZRBB-HNNXBMFYSA-N 1 0 349.431 2.859 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000338041569 475537057 /nfs/dbraw/zinc/53/70/57/475537057.db2.gz GDSYZEGACVMGLE-KRWDZBQOSA-N 1 0 341.411 2.806 10 5 EFBERO O=C(CC[N@H+]1CCCCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000342058423 475538868 /nfs/dbraw/zinc/53/88/68/475538868.db2.gz JNQOOTLIUOTHHJ-AWEZNQCLSA-N 1 0 335.404 2.550 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000338045915 475541425 /nfs/dbraw/zinc/54/14/25/475541425.db2.gz GEJPASBZKLCOHQ-GUTXKFCHSA-N 1 0 333.432 2.999 10 5 EFBERO COc1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)ccc1[N+](=O)[O-] ZINC000352767879 475603075 /nfs/dbraw/zinc/60/30/75/475603075.db2.gz GYDCZKTZUCADLR-UHFFFAOYSA-N 1 0 349.431 2.778 10 5 EFBERO CNC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361642182 475624021 /nfs/dbraw/zinc/62/40/21/475624021.db2.gz HZWQVSMLEJKMMQ-KRWDZBQOSA-N 1 0 327.384 2.604 10 5 EFBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348428478 475661256 /nfs/dbraw/zinc/66/12/56/475661256.db2.gz OEQFTKUOUBQCAA-GFCCVEGCSA-N 1 0 338.795 2.949 10 5 EFBERO CC[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000339990913 475666413 /nfs/dbraw/zinc/66/64/13/475666413.db2.gz CMYDICDYWCKNEI-LSDHHAIUSA-N 1 0 337.445 2.599 10 5 EFBERO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355281495 475797688 /nfs/dbraw/zinc/79/76/88/475797688.db2.gz WOSSPCDGIVFVHI-GOSISDBHSA-N 1 0 339.395 2.941 10 5 EFBERO Cc1cc(C)n2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000348672534 475809960 /nfs/dbraw/zinc/80/99/60/475809960.db2.gz LSGDARYIFBODKN-UHFFFAOYSA-N 1 0 339.399 2.929 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000361856916 475813920 /nfs/dbraw/zinc/81/39/20/475813920.db2.gz WILCMWPIHAYLNE-UHFFFAOYSA-N 1 0 332.404 2.985 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684352 475816511 /nfs/dbraw/zinc/81/65/11/475816511.db2.gz PEXPDLZEEZARDE-XJKSGUPXSA-N 1 0 345.399 2.815 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347016705 476037898 /nfs/dbraw/zinc/03/78/98/476037898.db2.gz SSCIGTUXQCGNEY-AWEZNQCLSA-N 1 0 329.356 2.650 10 5 EFBERO NC(=O)C1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000340456863 476046856 /nfs/dbraw/zinc/04/68/56/476046856.db2.gz BJWAFXVMHUIGCF-UHFFFAOYSA-N 1 0 343.383 2.989 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340510260 476075547 /nfs/dbraw/zinc/07/55/47/476075547.db2.gz VHAGFTBLCKJCOW-VNHYZAJKSA-N 1 0 346.431 2.776 10 5 EFBERO CCCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969359 476077960 /nfs/dbraw/zinc/07/79/60/476077960.db2.gz AEHXARXJDQDPQM-UHFFFAOYSA-N 1 0 345.346 2.658 10 5 EFBERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359045719 476142601 /nfs/dbraw/zinc/14/26/01/476142601.db2.gz QIQALABLNFHOBE-UHFFFAOYSA-N 1 0 345.346 2.514 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362312848 476161474 /nfs/dbraw/zinc/16/14/74/476161474.db2.gz BDCNQQHCAOAJIS-STQMWFEESA-N 1 0 338.379 2.991 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000359111494 476197621 /nfs/dbraw/zinc/19/76/21/476197621.db2.gz VVYWCHXUYOVDJJ-UHFFFAOYSA-N 1 0 347.463 2.577 10 5 EFBERO Cn1cc(C[NH2+]CC[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344274064 476207555 /nfs/dbraw/zinc/20/75/55/476207555.db2.gz QIWJBIDFAFCDPE-CYBMUJFWSA-N 1 0 330.388 2.512 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357083636 476217156 /nfs/dbraw/zinc/21/71/56/476217156.db2.gz YZQOPJBOEBEBCB-SFHVURJKSA-N 1 0 347.415 2.816 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362454428 476263531 /nfs/dbraw/zinc/26/35/31/476263531.db2.gz QIGNRNFCYLTCTG-PBHICJAKSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362454430 476263840 /nfs/dbraw/zinc/26/38/40/476263840.db2.gz QIGNRNFCYLTCTG-WMLDXEAASA-N 1 0 347.415 2.733 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324665 476279327 /nfs/dbraw/zinc/27/93/27/476279327.db2.gz UYLRAFSCYPBYOD-VXGBXAGGSA-N 1 0 334.372 2.970 10 5 EFBERO CO[C@@H](C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000360003449 476282257 /nfs/dbraw/zinc/28/22/57/476282257.db2.gz IZBPMBRNDJDYQK-LBPRGKRZSA-N 1 0 334.376 2.890 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360666892 476334349 /nfs/dbraw/zinc/33/43/49/476334349.db2.gz SBZHPBWZLNXMQV-CRAIPNDOSA-N 1 0 345.443 2.859 10 5 EFBERO O=[N+]([O-])c1cnccc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000360912553 476471674 /nfs/dbraw/zinc/47/16/74/476471674.db2.gz BNSDUUOXUGUXNY-JTQLQIEISA-N 1 0 346.416 2.534 10 5 EFBERO CC[C@H](NC(=O)NCC[N@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000354166966 476475510 /nfs/dbraw/zinc/47/55/10/476475510.db2.gz VLHBLLKXAIYBEN-INIZCTEOSA-N 1 0 332.404 2.607 10 5 EFBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000362951368 476499618 /nfs/dbraw/zinc/49/96/18/476499618.db2.gz LSBQWGLAUSYUKS-INIZCTEOSA-N 1 0 331.372 2.715 10 5 EFBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000362959473 476503669 /nfs/dbraw/zinc/50/36/69/476503669.db2.gz ZUFNARUUPROTPT-INIZCTEOSA-N 1 0 331.372 2.715 10 5 EFBERO O=[N+]([O-])c1cnc(N2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000369749583 476507243 /nfs/dbraw/zinc/50/72/43/476507243.db2.gz JKWUOXSEMMCHQU-NSHDSACASA-N 1 0 333.417 2.968 10 5 EFBERO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000369767114 476514642 /nfs/dbraw/zinc/51/46/42/476514642.db2.gz QEMGSLPXIRBGBO-HOTGVXAUSA-N 1 0 331.416 2.761 10 5 EFBERO C[N@@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000360992151 476529446 /nfs/dbraw/zinc/52/94/46/476529446.db2.gz ZYEYNCHKBUAXQS-MLGOLLRUSA-N 1 0 332.429 2.968 10 5 EFBERO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357689508 476540325 /nfs/dbraw/zinc/54/03/25/476540325.db2.gz WSFHLRGWJIBIFW-PXAZEXFGSA-N 1 0 339.399 2.996 10 5 EFBERO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000374964772 476614177 /nfs/dbraw/zinc/61/41/77/476614177.db2.gz RGVJXFMPPAZKPH-RLAWYHOSSA-N 1 0 349.406 2.969 10 5 EFBERO CC1CCC(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369997291 476621589 /nfs/dbraw/zinc/62/15/89/476621589.db2.gz OOEXPGXUKBEIAG-UHFFFAOYSA-N 1 0 336.436 2.851 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456688051 476690604 /nfs/dbraw/zinc/69/06/04/476690604.db2.gz ZDTKEEFMWDECNK-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451899568 476707623 /nfs/dbraw/zinc/70/76/23/476707623.db2.gz KSHLJVJNKOHDJT-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422630229 476722751 /nfs/dbraw/zinc/72/27/51/476722751.db2.gz YKZDJGLBGLJJOL-CQSZACIVSA-N 1 0 341.367 2.524 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375281682 476755270 /nfs/dbraw/zinc/75/52/70/476755270.db2.gz WEAWKOXLOXZYTF-GOSISDBHSA-N 1 0 347.415 2.734 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)o2)cc1 ZINC000375282321 476755822 /nfs/dbraw/zinc/75/58/22/476755822.db2.gz ZCQXORIDMBECHX-QGZVFWFLSA-N 1 0 344.371 2.647 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000375300037 476764206 /nfs/dbraw/zinc/76/42/06/476764206.db2.gz STWHUXVZQWFLRU-IBGZPJMESA-N 1 0 337.379 2.999 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430274912 476799313 /nfs/dbraw/zinc/79/93/13/476799313.db2.gz FXOYEKWNFWXUGU-AAEUAGOBSA-N 1 0 333.388 2.828 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452075726 476807740 /nfs/dbraw/zinc/80/77/40/476807740.db2.gz AYPSTOIBZCJRFS-GJZGRUSLSA-N 1 0 349.431 2.979 10 5 EFBERO COC[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452090360 476818017 /nfs/dbraw/zinc/81/80/17/476818017.db2.gz RZPKTOKWMOUNJA-CQSZACIVSA-N 1 0 338.404 2.731 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000446070544 476821265 /nfs/dbraw/zinc/82/12/65/476821265.db2.gz HKKUIKXMLXEOHZ-IACUBPJLSA-N 1 0 335.404 2.730 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446081656 476824038 /nfs/dbraw/zinc/82/40/38/476824038.db2.gz WESDADANFMYGLJ-IHRRRGAJSA-N 1 0 335.404 2.730 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375431396 476834317 /nfs/dbraw/zinc/83/43/17/476834317.db2.gz NOFFLPSAFJNFTC-CYBMUJFWSA-N 1 0 344.371 2.724 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465605 476853366 /nfs/dbraw/zinc/85/33/66/476853366.db2.gz OWWGSNPNTHRPDY-CYBMUJFWSA-N 1 0 344.371 2.724 10 5 EFBERO CCOc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457192449 476919403 /nfs/dbraw/zinc/91/94/03/476919403.db2.gz YRPUWVVHYLARBT-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO C[N@H+](CCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000457198235 476921365 /nfs/dbraw/zinc/92/13/65/476921365.db2.gz JRYQKCJLVMVNNH-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO Cc1cc(NC(=O)NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000415415409 476921953 /nfs/dbraw/zinc/92/19/53/476921953.db2.gz IAYIWZVAPOZVNX-UHFFFAOYSA-N 1 0 343.387 2.600 10 5 EFBERO N[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235112 476970562 /nfs/dbraw/zinc/97/05/62/476970562.db2.gz GHPHDLWFTLOPRL-BZUAXINKSA-N 1 0 329.404 2.565 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](CO)c2ccccc2)n1 ZINC000447582196 477016122 /nfs/dbraw/zinc/01/61/22/477016122.db2.gz YMSIZTWLZCNGAU-YESZJQIVSA-N 1 0 344.415 2.641 10 5 EFBERO Cc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1[N+](=O)[O-] ZINC000375829279 477033299 /nfs/dbraw/zinc/03/32/99/477033299.db2.gz IWMRFTXLJHEXLJ-UHFFFAOYSA-N 1 0 341.415 2.821 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423485805 477045157 /nfs/dbraw/zinc/04/51/57/477045157.db2.gz RWWFJUXQHKNTQW-DZGCQCFKSA-N 1 0 325.359 2.503 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236823 477194727 /nfs/dbraw/zinc/19/47/27/477194727.db2.gz OHRDFLQXNMRVRF-JSGCOSHPSA-N 1 0 346.408 2.817 10 5 EFBERO C[NH2+]CCCN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000424012827 477261284 /nfs/dbraw/zinc/26/12/84/477261284.db2.gz PYEZXODACWCDBW-CQSZACIVSA-N 1 0 348.447 2.513 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CO)CC3(CCC3)C2)n1 ZINC000433062434 477307134 /nfs/dbraw/zinc/30/71/34/477307134.db2.gz TWSIMXWLPHRQDF-HUUCEWRRSA-N 1 0 348.447 2.807 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3c[nH]cn3)CC2)s1 ZINC000376449098 477340066 /nfs/dbraw/zinc/34/00/66/477340066.db2.gz LLSAKLQRILDNRT-UHFFFAOYSA-N 1 0 330.373 2.707 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000371528343 477373022 /nfs/dbraw/zinc/37/30/22/477373022.db2.gz LCHOWKGOEIPVOA-HOTGVXAUSA-N 1 0 343.358 2.562 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436384788 477472659 /nfs/dbraw/zinc/47/26/59/477472659.db2.gz GRCQROUVZBZIDB-SNVBAGLBSA-N 1 0 332.326 2.929 10 5 EFBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372150194 477663194 /nfs/dbraw/zinc/66/31/94/477663194.db2.gz NIZHOWNXOMLXDV-XVSDVWIESA-N 1 0 342.395 2.952 10 5 EFBERO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000377226939 477700976 /nfs/dbraw/zinc/70/09/76/477700976.db2.gz UAQCSVAIDWKCAZ-CQSZACIVSA-N 1 0 332.404 2.517 10 5 EFBERO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000427985687 477800067 /nfs/dbraw/zinc/80/00/67/477800067.db2.gz SNACFLOWSUHUJK-INIZCTEOSA-N 1 0 343.362 2.747 10 5 EFBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469322 477829125 /nfs/dbraw/zinc/82/91/25/477829125.db2.gz JNSFJJJQQFTQJA-HIFRSBDPSA-N 1 0 330.432 2.932 10 5 EFBERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438483199 477848638 /nfs/dbraw/zinc/84/86/38/477848638.db2.gz CURNXMZLOYGCMK-STQMWFEESA-N 1 0 335.404 2.908 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438494240 477851746 /nfs/dbraw/zinc/85/17/46/477851746.db2.gz NDQQGQYCIIUCOX-ZDUSSCGKSA-N 1 0 335.404 2.910 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000456348037 477876907 /nfs/dbraw/zinc/87/69/07/477876907.db2.gz KCQXVTYQXPEZMI-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456354390 477882239 /nfs/dbraw/zinc/88/22/39/477882239.db2.gz PDWHPWCSTVJZRF-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451295834 477938345 /nfs/dbraw/zinc/93/83/45/477938345.db2.gz LBFZIGNPJLGHAF-AAEUAGOBSA-N 1 0 347.337 2.857 10 5 EFBERO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000456553584 477980705 /nfs/dbraw/zinc/98/07/05/477980705.db2.gz NTLOOOUXCYTTIH-ZDUSSCGKSA-N 1 0 335.404 2.550 10 5 EFBERO COC(=O)COc1ccc(C[NH+]2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000459633188 478017503 /nfs/dbraw/zinc/01/75/03/478017503.db2.gz DNQZSHUTCAZATK-UHFFFAOYSA-N 1 0 336.388 2.625 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494674031 478039122 /nfs/dbraw/zinc/03/91/22/478039122.db2.gz TTZLTFDCVRDHOL-FZMZJTMJSA-N 1 0 349.412 2.615 10 5 EFBERO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000459692373 478043153 /nfs/dbraw/zinc/04/31/53/478043153.db2.gz GXVHBAOEDHJONJ-CQSZACIVSA-N 1 0 328.368 2.869 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494684121 478043477 /nfs/dbraw/zinc/04/34/77/478043477.db2.gz HWQUCABIDURNII-ZDUSSCGKSA-N 1 0 349.412 2.617 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CC23CCSCC3)c([N+](=O)[O-])cc1O ZINC000421352559 478047942 /nfs/dbraw/zinc/04/79/42/478047942.db2.gz OKYHWXHYTJNKEH-GFCCVEGCSA-N 1 0 338.429 2.932 10 5 EFBERO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451597517 478116417 /nfs/dbraw/zinc/11/64/17/478116417.db2.gz IVFKCBGDAXMHKQ-KGLIPLIRSA-N 1 0 336.388 2.815 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000518963776 478201147 /nfs/dbraw/zinc/20/11/47/478201147.db2.gz POWLNYUMGNDNJI-HNNXBMFYSA-N 1 0 330.388 2.963 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000590663895 478279259 /nfs/dbraw/zinc/27/92/59/478279259.db2.gz AFJAJEKVKURDRF-ZDUSSCGKSA-N 1 0 336.388 2.615 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1 ZINC000590661489 478279739 /nfs/dbraw/zinc/27/97/39/478279739.db2.gz ZFQWDHZEMXJWAE-HOTGVXAUSA-N 1 0 348.399 2.771 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000537213825 478292486 /nfs/dbraw/zinc/29/24/86/478292486.db2.gz VCSJUMJPCFVVTO-UHFFFAOYSA-N 1 0 325.434 2.731 10 5 EFBERO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600228964 478297904 /nfs/dbraw/zinc/29/79/04/478297904.db2.gz IHSVBGLATSMGHX-CYBMUJFWSA-N 1 0 349.435 2.578 10 5 EFBERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600229096 478298234 /nfs/dbraw/zinc/29/82/34/478298234.db2.gz OZCBNUMMASWHDD-OAHLLOKOSA-N 1 0 347.415 2.740 10 5 EFBERO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600228396 478299639 /nfs/dbraw/zinc/29/96/39/478299639.db2.gz LDIHBASJLGFDFY-HNNXBMFYSA-N 1 0 346.431 2.773 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229989 478300719 /nfs/dbraw/zinc/30/07/19/478300719.db2.gz MSLYPRCYVLEYHU-HNNXBMFYSA-N 1 0 347.415 2.740 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000594258497 478308092 /nfs/dbraw/zinc/30/80/92/478308092.db2.gz QFVGZXHAKPHASP-KDYLLFBJSA-N 1 0 346.431 2.609 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000590808390 478348525 /nfs/dbraw/zinc/34/85/25/478348525.db2.gz OFLCPFWSEZOVRT-HZPDHXFCSA-N 1 0 346.431 2.578 10 5 EFBERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417198 478374908 /nfs/dbraw/zinc/37/49/08/478374908.db2.gz AXOZHQNFEIVFGW-SJORKVTESA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600473125 478383724 /nfs/dbraw/zinc/38/37/24/478383724.db2.gz QZYWHYCOYNNXSN-CYBMUJFWSA-N 1 0 342.399 2.823 10 5 EFBERO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474528 478385109 /nfs/dbraw/zinc/38/51/09/478385109.db2.gz XWRQZZPLFLCOKX-IUODEOHRSA-N 1 0 349.406 2.971 10 5 EFBERO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474530 478385176 /nfs/dbraw/zinc/38/51/76/478385176.db2.gz XWRQZZPLFLCOKX-WFASDCNBSA-N 1 0 349.406 2.971 10 5 EFBERO CO[C@@](C)(CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594510902 478419495 /nfs/dbraw/zinc/41/94/95/478419495.db2.gz POTSPKPOVUCPCT-MRXNPFEDSA-N 1 0 336.413 2.810 10 5 EFBERO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511664 478419916 /nfs/dbraw/zinc/41/99/16/478419916.db2.gz GGBIMTYLWOMRCX-ZPTKEPGPSA-N 1 0 333.432 2.695 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597668496 478455929 /nfs/dbraw/zinc/45/59/29/478455929.db2.gz WZWRVPRXQOFIKO-DLBZAZTESA-N 1 0 343.427 2.643 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000600678205 478465514 /nfs/dbraw/zinc/46/55/14/478465514.db2.gz GAHWDNPTSTZILQ-ZDUSSCGKSA-N 1 0 327.331 2.570 10 5 EFBERO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600764115 478509613 /nfs/dbraw/zinc/50/96/13/478509613.db2.gz XUZDWFLUIYMWRL-ZDUSSCGKSA-N 1 0 346.374 2.996 10 5 EFBERO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000600776847 478516687 /nfs/dbraw/zinc/51/66/87/478516687.db2.gz SLMGXFRSYPFNQJ-UHFFFAOYSA-N 1 0 347.440 2.921 10 5 EFBERO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145723 478520471 /nfs/dbraw/zinc/52/04/71/478520471.db2.gz SDDJHVZEVPZTKF-SGTLLEGYSA-N 1 0 328.416 2.691 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597856884 478543115 /nfs/dbraw/zinc/54/31/15/478543115.db2.gz CDMVFTYIUMARLV-NSHDSACASA-N 1 0 330.388 2.679 10 5 EFBERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000600961440 478586679 /nfs/dbraw/zinc/58/66/79/478586679.db2.gz QYBPMJSAMQAOPL-VHSXEESVSA-N 1 0 328.210 2.697 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000600966764 478589003 /nfs/dbraw/zinc/58/90/03/478589003.db2.gz SMIIRWSDEMBVAE-GASCZTMLSA-N 1 0 338.795 2.712 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600965345 478589295 /nfs/dbraw/zinc/58/92/95/478589295.db2.gz NQTKWEWCJMBCMY-MRXNPFEDSA-N 1 0 331.416 2.617 10 5 EFBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](C)C1 ZINC000597946632 478590802 /nfs/dbraw/zinc/59/08/02/478590802.db2.gz QYABGZLGCRLBPQ-CYBMUJFWSA-N 1 0 333.413 2.976 10 5 EFBERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939933 478596103 /nfs/dbraw/zinc/59/61/03/478596103.db2.gz VVMNQLCQKVGRMV-BZHVJNSISA-N 1 0 346.305 2.901 10 5 EFBERO COc1cc(C[NH2+]C[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594952310 478600331 /nfs/dbraw/zinc/60/03/31/478600331.db2.gz BJTSQLRMIZOUIH-LBPRGKRZSA-N 1 0 331.372 2.900 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000594954077 478603032 /nfs/dbraw/zinc/60/30/32/478603032.db2.gz XJMXVESGWRGSRU-KSSFIOAISA-N 1 0 346.383 2.996 10 5 EFBERO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC000594956932 478604728 /nfs/dbraw/zinc/60/47/28/478604728.db2.gz YMUAJPOEYBYPEE-GFCCVEGCSA-N 1 0 329.356 2.654 10 5 EFBERO CC[C@@](C)([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594978958 478614868 /nfs/dbraw/zinc/61/48/68/478614868.db2.gz DMYROPUUQUINFD-QGZVFWFLSA-N 1 0 336.388 2.815 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594978579 478614975 /nfs/dbraw/zinc/61/49/75/478614975.db2.gz FRLBEGQVDNJSOC-CVEARBPZSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979997 478616981 /nfs/dbraw/zinc/61/69/81/478616981.db2.gz OJOVFQKUYFFCLV-GUYCJALGSA-N 1 0 332.379 2.968 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601021165 478618629 /nfs/dbraw/zinc/61/86/29/478618629.db2.gz SMPWCNVYCBEDQZ-OAHLLOKOSA-N 1 0 345.443 2.865 10 5 EFBERO Cn1cc(C[NH2+]C[C@H]2CCOC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594996678 478622976 /nfs/dbraw/zinc/62/29/76/478622976.db2.gz UYCDRSXNTHXFMS-OAHLLOKOSA-N 1 0 344.415 2.900 10 5 EFBERO COc1ccc(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595001916 478623379 /nfs/dbraw/zinc/62/33/79/478623379.db2.gz XPAJLPQCRMRERK-UHFFFAOYSA-N 1 0 335.404 2.519 10 5 EFBERO COc1cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])cc1O ZINC000594997182 478623984 /nfs/dbraw/zinc/62/39/84/478623984.db2.gz YXNCTBPKHBWJSL-JEBQAFNWSA-N 1 0 344.342 2.876 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1c(C)nn(C)c1C ZINC000595004532 478625009 /nfs/dbraw/zinc/62/50/09/478625009.db2.gz TVDWLRLZEFPPPR-NSHDSACASA-N 1 0 332.404 2.847 10 5 EFBERO CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039461 478626861 /nfs/dbraw/zinc/62/68/61/478626861.db2.gz KHYXSMDAMFWTJB-MRXNPFEDSA-N 1 0 347.415 2.500 10 5 EFBERO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](CC)C1 ZINC000598039647 478627452 /nfs/dbraw/zinc/62/74/52/478627452.db2.gz LOEHVXDZQIRAKS-HNNXBMFYSA-N 1 0 344.415 2.561 10 5 EFBERO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](CC)C1 ZINC000598039648 478627500 /nfs/dbraw/zinc/62/75/00/478627500.db2.gz LOEHVXDZQIRAKS-OAHLLOKOSA-N 1 0 344.415 2.561 10 5 EFBERO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598039865 478627561 /nfs/dbraw/zinc/62/75/61/478627561.db2.gz AWASTIAUHXGOJW-HNNXBMFYSA-N 1 0 349.431 2.615 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000595009847 478628293 /nfs/dbraw/zinc/62/82/93/478628293.db2.gz TWRYVFPCCBTVTB-ZDUSSCGKSA-N 1 0 342.395 2.784 10 5 EFBERO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041817 478628335 /nfs/dbraw/zinc/62/83/35/478628335.db2.gz NJNKKFCSIUOBBV-OAHLLOKOSA-N 1 0 346.431 2.725 10 5 EFBERO CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042591 478629019 /nfs/dbraw/zinc/62/90/19/478629019.db2.gz QFESTLYMMJUPTP-CYBMUJFWSA-N 1 0 337.445 2.873 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000595054243 478644279 /nfs/dbraw/zinc/64/42/79/478644279.db2.gz OIGKJHGUHUBZJU-XJKSGUPXSA-N 1 0 348.447 2.774 10 5 EFBERO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC000595060243 478644648 /nfs/dbraw/zinc/64/46/48/478644648.db2.gz LHPCIYBHBZWMOY-JFIYKMOQSA-N 1 0 334.416 2.557 10 5 EFBERO COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000595059922 478645023 /nfs/dbraw/zinc/64/50/23/478645023.db2.gz IQFUVKWTNPCSPJ-BHYGNILZSA-N 1 0 336.432 2.947 10 5 EFBERO COC[C@H](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000595059925 478645069 /nfs/dbraw/zinc/64/50/69/478645069.db2.gz IQFUVKWTNPCSPJ-XIRDDKMYSA-N 1 0 336.432 2.947 10 5 EFBERO COC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000595064773 478647477 /nfs/dbraw/zinc/64/74/77/478647477.db2.gz GFAYQPXVFNFQBB-RHSMWYFYSA-N 1 0 336.432 2.947 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595066407 478647688 /nfs/dbraw/zinc/64/76/88/478647688.db2.gz XFWXVLUPGAPGQC-NSNWQYSKSA-N 1 0 334.416 2.738 10 5 EFBERO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074945 478652662 /nfs/dbraw/zinc/65/26/62/478652662.db2.gz XEVSFBZPJLBWAO-WBMJQRKESA-N 1 0 338.404 2.696 10 5 EFBERO CC(C)C[NH+]1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601101670 478657328 /nfs/dbraw/zinc/65/73/28/478657328.db2.gz ROTUENHFLLPDBJ-UHFFFAOYSA-N 1 0 349.357 2.879 10 5 EFBERO Cc1c([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100741 478660866 /nfs/dbraw/zinc/66/08/66/478660866.db2.gz IPJOICCGDPZYIE-HUUCEWRRSA-N 1 0 346.431 2.844 10 5 EFBERO CC[NH+](CC)CCCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601109047 478661608 /nfs/dbraw/zinc/66/16/08/478661608.db2.gz QIBKAKHKCNFMBI-UHFFFAOYSA-N 1 0 337.346 2.881 10 5 EFBERO CC[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105897 478662213 /nfs/dbraw/zinc/66/22/13/478662213.db2.gz UEMWWBKLBMPNBA-SJORKVTESA-N 1 0 346.431 2.926 10 5 EFBERO CC[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105895 478663048 /nfs/dbraw/zinc/66/30/48/478663048.db2.gz UEMWWBKLBMPNBA-IAGOWNOFSA-N 1 0 346.431 2.926 10 5 EFBERO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601120482 478668264 /nfs/dbraw/zinc/66/82/64/478668264.db2.gz HFSGHLUSVGFHJL-JTQLQIEISA-N 1 0 349.357 2.658 10 5 EFBERO CC(C)C[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601129321 478674154 /nfs/dbraw/zinc/67/41/54/478674154.db2.gz QDHYQGGQNOSUKD-SNVBAGLBSA-N 1 0 349.357 2.737 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000542705340 478676466 /nfs/dbraw/zinc/67/64/66/478676466.db2.gz SCXAIIQPCZZMIS-UHFFFAOYSA-N 1 0 346.408 2.523 10 5 EFBERO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000591891544 478678562 /nfs/dbraw/zinc/67/85/62/478678562.db2.gz JXEMUALEUCIMSP-HIFRSBDPSA-N 1 0 347.415 2.516 10 5 EFBERO COCc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149520 478688998 /nfs/dbraw/zinc/68/89/98/478688998.db2.gz NNHGERMBLQYEKC-GOSISDBHSA-N 1 0 330.384 2.739 10 5 EFBERO COCc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149521 478689683 /nfs/dbraw/zinc/68/96/83/478689683.db2.gz NNHGERMBLQYEKC-SFHVURJKSA-N 1 0 330.384 2.739 10 5 EFBERO CCCN(CCC[NH+](C)C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601152857 478691058 /nfs/dbraw/zinc/69/10/58/478691058.db2.gz HTLONHIUCPIEKI-UHFFFAOYSA-N 1 0 337.346 2.515 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000595220818 478692213 /nfs/dbraw/zinc/69/22/13/478692213.db2.gz KFXGVEOOWHIAQM-IAGOWNOFSA-N 1 0 325.368 2.552 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225245 478692797 /nfs/dbraw/zinc/69/27/97/478692797.db2.gz KWUGFAPAHJOZLG-SJLPKXTDSA-N 1 0 345.443 2.908 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224414 478692950 /nfs/dbraw/zinc/69/29/50/478692950.db2.gz GENGDRMXLJWWPT-HOCLYGCPSA-N 1 0 346.431 2.631 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595225250 478693141 /nfs/dbraw/zinc/69/31/41/478693141.db2.gz LBIGKDTZYVRUMV-WMLDXEAASA-N 1 0 331.416 2.898 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225243 478693262 /nfs/dbraw/zinc/69/32/62/478693262.db2.gz KWUGFAPAHJOZLG-AEFFLSMTSA-N 1 0 345.443 2.908 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1cccc(F)c1 ZINC000595226246 478694856 /nfs/dbraw/zinc/69/48/56/478694856.db2.gz SHPLFXWGKKRPCB-IAGOWNOFSA-N 1 0 343.358 2.691 10 5 EFBERO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc21 ZINC000595254537 478702234 /nfs/dbraw/zinc/70/22/34/478702234.db2.gz ZCBCVTHZLRYEPH-HNNXBMFYSA-N 1 0 339.395 2.903 10 5 EFBERO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595254378 478702393 /nfs/dbraw/zinc/70/23/93/478702393.db2.gz OGGQYNBJWSCYRX-INIZCTEOSA-N 1 0 339.395 2.903 10 5 EFBERO Cc1cccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595257383 478704416 /nfs/dbraw/zinc/70/44/16/478704416.db2.gz JKEDWMLLZMZRBK-MRXNPFEDSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1cccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595257382 478704883 /nfs/dbraw/zinc/70/48/83/478704883.db2.gz JKEDWMLLZMZRBK-INIZCTEOSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270932 478708412 /nfs/dbraw/zinc/70/84/12/478708412.db2.gz XQNDJSCSZYAXQT-QZTJIDSGSA-N 1 0 339.395 2.779 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595273183 478709482 /nfs/dbraw/zinc/70/94/82/478709482.db2.gz JVLVNFFXCXKHGG-DOTOQJQBSA-N 1 0 348.447 2.857 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595275032 478710338 /nfs/dbraw/zinc/71/03/38/478710338.db2.gz DYRBOPUJNPJQCR-MRXNPFEDSA-N 1 0 336.436 2.888 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N1CC([NH+]2CCCC2)C1 ZINC000601193811 478717177 /nfs/dbraw/zinc/71/71/77/478717177.db2.gz QOHZKCZJWHOAMQ-UHFFFAOYSA-N 1 0 326.194 2.642 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601216852 478727748 /nfs/dbraw/zinc/72/77/48/478727748.db2.gz WUBAPIORYVUOIK-UHFFFAOYSA-N 1 0 341.415 2.993 10 5 EFBERO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000595316454 478728728 /nfs/dbraw/zinc/72/87/28/478728728.db2.gz FQSDPAUECXUENP-CQSZACIVSA-N 1 0 335.379 2.568 10 5 EFBERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598263083 478732229 /nfs/dbraw/zinc/73/22/29/478732229.db2.gz PJNAXCCNUXXEHJ-CYBMUJFWSA-N 1 0 344.415 2.926 10 5 EFBERO CCC1([NH+](C)C)CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000601229730 478738323 /nfs/dbraw/zinc/73/83/23/478738323.db2.gz YZZUVNYLZHGJJS-UHFFFAOYSA-N 1 0 335.433 2.910 10 5 EFBERO Cc1noc(CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595339659 478738452 /nfs/dbraw/zinc/73/84/52/478738452.db2.gz ZPKBRNMNXSFVAO-AWEZNQCLSA-N 1 0 344.415 2.988 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000601233244 478738913 /nfs/dbraw/zinc/73/89/13/478738913.db2.gz ZTGLTOWXSOGZMY-UKRRQHHQSA-N 1 0 331.416 2.615 10 5 EFBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601260936 478752519 /nfs/dbraw/zinc/75/25/19/478752519.db2.gz WOBYGNPAHBDSDO-HNNXBMFYSA-N 1 0 345.443 2.817 10 5 EFBERO CO[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373191 478752580 /nfs/dbraw/zinc/75/25/80/478752580.db2.gz XZTXWEHBQDDSKE-ZBFHGGJFSA-N 1 0 334.420 2.681 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294201 478770084 /nfs/dbraw/zinc/77/00/84/478770084.db2.gz LMEQUTUYPCZVRO-CYBMUJFWSA-N 1 0 338.404 2.912 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000601295481 478771966 /nfs/dbraw/zinc/77/19/66/478771966.db2.gz VPDCLIZBJPBJAI-ZDUSSCGKSA-N 1 0 338.404 2.912 10 5 EFBERO CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000598343410 478777484 /nfs/dbraw/zinc/77/74/84/478777484.db2.gz UMULQXAIEOMYJB-LBPRGKRZSA-N 1 0 325.796 2.771 10 5 EFBERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311115 478779739 /nfs/dbraw/zinc/77/97/39/478779739.db2.gz YKGRKMHEYVJBJM-GUYCJALGSA-N 1 0 343.427 2.615 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000543902300 478798190 /nfs/dbraw/zinc/79/81/90/478798190.db2.gz MRPUSIVOLYAZEM-UHFFFAOYSA-N 1 0 335.404 2.692 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168049 478809910 /nfs/dbraw/zinc/80/99/10/478809910.db2.gz SPQSQXSCKGMNDG-BMFZPTHFSA-N 1 0 340.445 2.992 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000572345070 478811545 /nfs/dbraw/zinc/81/15/45/478811545.db2.gz RDFYCRPKYXYQMH-OAHLLOKOSA-N 1 0 348.790 2.676 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000601382898 478812092 /nfs/dbraw/zinc/81/20/92/478812092.db2.gz IUQOBQRWJNJZGT-PBHICJAKSA-N 1 0 343.358 2.909 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592200471 478822988 /nfs/dbraw/zinc/82/29/88/478822988.db2.gz YZESVNCEVMKTJF-HZPDHXFCSA-N 1 0 334.416 2.989 10 5 EFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601410262 478824327 /nfs/dbraw/zinc/82/43/27/478824327.db2.gz JGSLBNIBJUVCJO-ZDUSSCGKSA-N 1 0 345.374 2.984 10 5 EFBERO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1=CC[N@H+](C)CC1 ZINC000601421979 478829192 /nfs/dbraw/zinc/82/91/92/478829192.db2.gz NNVVHEHBGOZEFZ-CQSZACIVSA-N 1 0 343.427 2.783 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598464255 478836497 /nfs/dbraw/zinc/83/64/97/478836497.db2.gz DDSDYKXMLIOGNS-JKSUJKDBSA-N 1 0 333.432 2.935 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598466428 478837580 /nfs/dbraw/zinc/83/75/80/478837580.db2.gz UEWRBPJROFWCME-UHFFFAOYSA-N 1 0 332.404 2.926 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601559725 478878050 /nfs/dbraw/zinc/87/80/50/478878050.db2.gz VVRGGGRBFYCEEJ-RISCZKNCSA-N 1 0 335.429 2.531 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601560491 478879053 /nfs/dbraw/zinc/87/90/53/478879053.db2.gz XTQREWAKISUDCP-QWHCGFSZSA-N 1 0 335.429 2.531 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560983 478880009 /nfs/dbraw/zinc/88/00/09/478880009.db2.gz ZOQXDEGYRUUTAQ-RISCZKNCSA-N 1 0 329.356 2.555 10 5 EFBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCC2 ZINC000592387669 478880176 /nfs/dbraw/zinc/88/01/76/478880176.db2.gz DIBGDXTZRGTMTL-CYBMUJFWSA-N 1 0 330.388 2.857 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595616997 478890396 /nfs/dbraw/zinc/89/03/96/478890396.db2.gz UEJNXGGVTCONOV-HNNXBMFYSA-N 1 0 346.383 2.807 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595624800 478896210 /nfs/dbraw/zinc/89/62/10/478896210.db2.gz GNTWXJHXOYKBAS-SFHVURJKSA-N 1 0 347.415 2.733 10 5 EFBERO CC1(C)C[C@@H]([N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)CO1 ZINC000595634526 478904096 /nfs/dbraw/zinc/90/40/96/478904096.db2.gz BPKLSSMLJPWCAR-MRXNPFEDSA-N 1 0 344.415 2.861 10 5 EFBERO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595638251 478906132 /nfs/dbraw/zinc/90/61/32/478906132.db2.gz DSBFNNYKUQDFRA-SNVBAGLBSA-N 1 0 337.376 2.676 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000595658702 478920707 /nfs/dbraw/zinc/92/07/07/478920707.db2.gz HQFDLFAQBNVAIQ-MRXNPFEDSA-N 1 0 334.416 2.847 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595664169 478921987 /nfs/dbraw/zinc/92/19/87/478921987.db2.gz YNBJHLMQBNJSKP-AWEZNQCLSA-N 1 0 334.420 2.609 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601644321 478923877 /nfs/dbraw/zinc/92/38/77/478923877.db2.gz OBKZHOOTAYHHFL-INIZCTEOSA-N 1 0 331.416 2.569 10 5 EFBERO Cc1c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000601736952 478977209 /nfs/dbraw/zinc/97/72/09/478977209.db2.gz ATTAABQACKAOLU-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CNc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601739052 478977859 /nfs/dbraw/zinc/97/78/59/478977859.db2.gz KUYIZKBMXXHWTP-UHFFFAOYSA-N 1 0 346.431 2.727 10 5 EFBERO Cc1cccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601740649 478979038 /nfs/dbraw/zinc/97/90/38/478979038.db2.gz WMTIZNWVXXHVGR-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601740686 478979709 /nfs/dbraw/zinc/97/97/09/478979709.db2.gz XDELFGKGVVWWCN-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769064 478987245 /nfs/dbraw/zinc/98/72/45/478987245.db2.gz OSGKWOKFPGOOKN-YOEHRIQHSA-N 1 0 344.415 2.838 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601777519 478997695 /nfs/dbraw/zinc/99/76/95/478997695.db2.gz SIKGGILMRBDTRP-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601791214 479006365 /nfs/dbraw/zinc/00/63/65/479006365.db2.gz IEASQJAWUAIXDK-UHFFFAOYSA-N 1 0 337.395 2.609 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000601792231 479007707 /nfs/dbraw/zinc/00/77/07/479007707.db2.gz SMWVQVUSWZNGPT-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)CC1 ZINC000595818772 479015167 /nfs/dbraw/zinc/01/51/67/479015167.db2.gz IYLGOFZHTFROLG-DNOWBOINSA-N 1 0 349.406 2.990 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595874632 479043988 /nfs/dbraw/zinc/04/39/88/479043988.db2.gz WZFMSGPUEAZMLT-UHFFFAOYSA-N 1 0 347.419 2.855 10 5 EFBERO [NH3+][C@H]1CCc2ccccc2N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595903790 479061141 /nfs/dbraw/zinc/06/11/41/479061141.db2.gz GLPIOSKDHYWTGH-HNNXBMFYSA-N 1 0 327.384 2.754 10 5 EFBERO COc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000595904477 479062364 /nfs/dbraw/zinc/06/23/64/479062364.db2.gz DJGIODXIDPAYID-HDICACEKSA-N 1 0 332.400 2.996 10 5 EFBERO COCC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000595910656 479064501 /nfs/dbraw/zinc/06/45/01/479064501.db2.gz LGOZYJFZQCOMGR-UHFFFAOYSA-N 1 0 338.404 2.921 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911695 479065636 /nfs/dbraw/zinc/06/56/36/479065636.db2.gz VMFUFYPBGXUMPM-HDICACEKSA-N 1 0 332.400 2.996 10 5 EFBERO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000546732248 479066404 /nfs/dbraw/zinc/06/64/04/479066404.db2.gz KFDVRXVNRYLMDB-CQSZACIVSA-N 1 0 343.431 2.581 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000598889086 479074160 /nfs/dbraw/zinc/07/41/60/479074160.db2.gz SWSQVBNPTFWAKO-UHFFFAOYSA-N 1 0 341.383 2.593 10 5 EFBERO CC(C)([NH3+])c1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC000595956509 479081915 /nfs/dbraw/zinc/08/19/15/479081915.db2.gz JVJCGNCDODMKRA-UHFFFAOYSA-N 1 0 344.371 2.581 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000598914365 479083756 /nfs/dbraw/zinc/08/37/56/479083756.db2.gz BNGPYWDHPZKJDP-NHYWBVRUSA-N 1 0 336.367 2.730 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595981373 479087527 /nfs/dbraw/zinc/08/75/27/479087527.db2.gz OBSVXDWSCCHLDJ-LLVKDONJSA-N 1 0 345.852 2.830 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601973661 479103506 /nfs/dbraw/zinc/10/35/06/479103506.db2.gz IFSUQLFURPEXHK-LBPRGKRZSA-N 1 0 337.445 2.825 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601973660 479103827 /nfs/dbraw/zinc/10/38/27/479103827.db2.gz IFSUQLFURPEXHK-GFCCVEGCSA-N 1 0 337.445 2.825 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977157 479106318 /nfs/dbraw/zinc/10/63/18/479106318.db2.gz RSXNQWBTJWQVLS-LBPRGKRZSA-N 1 0 335.404 2.502 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601978302 479106569 /nfs/dbraw/zinc/10/65/69/479106569.db2.gz XKIITNBMFOBBNG-SNVBAGLBSA-N 1 0 325.796 2.756 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601978304 479106719 /nfs/dbraw/zinc/10/67/19/479106719.db2.gz XLTYVCGLKBQILA-CYBMUJFWSA-N 1 0 335.404 2.502 10 5 EFBERO COc1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000598989579 479116466 /nfs/dbraw/zinc/11/64/66/479116466.db2.gz MORIGPXTRBFOMH-ZDUSSCGKSA-N 1 0 344.293 2.693 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000598989999 479116476 /nfs/dbraw/zinc/11/64/76/479116476.db2.gz YLRMVBZWYPQBRA-CYBMUJFWSA-N 1 0 328.294 2.993 10 5 EFBERO COCC[N@H+](C)CCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596074109 479122197 /nfs/dbraw/zinc/12/21/97/479122197.db2.gz PGLFSVRMUXKCFE-UHFFFAOYSA-N 1 0 331.800 2.637 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599008644 479124261 /nfs/dbraw/zinc/12/42/61/479124261.db2.gz ZVQMOINQIARFPJ-SMDDNHRTSA-N 1 0 328.315 2.853 10 5 EFBERO COC(=O)c1c(Cl)c(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000596079627 479126712 /nfs/dbraw/zinc/12/67/12/479126712.db2.gz UWKICBNJHVDVPZ-UHFFFAOYSA-N 1 0 341.795 2.565 10 5 EFBERO CO[C@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000599016070 479127013 /nfs/dbraw/zinc/12/70/13/479127013.db2.gz JHMYKGVFTXMQMW-DRQUAOQDSA-N 1 0 330.388 2.510 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000593025649 479132097 /nfs/dbraw/zinc/13/20/97/479132097.db2.gz PENMQDHZPZSMKB-AWEZNQCLSA-N 1 0 336.388 2.817 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1 ZINC000593029547 479133093 /nfs/dbraw/zinc/13/30/93/479133093.db2.gz BYHZANAGRQMBBB-KMUNFCNLSA-N 1 0 336.388 2.531 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1 ZINC000593029709 479133699 /nfs/dbraw/zinc/13/36/99/479133699.db2.gz GGIXFAYVIJWEHC-AWEZNQCLSA-N 1 0 338.404 2.610 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000596092954 479134050 /nfs/dbraw/zinc/13/40/50/479134050.db2.gz YIWXFSBBYWIZNJ-SECBINFHSA-N 1 0 327.768 2.541 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092389 479134124 /nfs/dbraw/zinc/13/41/24/479134124.db2.gz VASIEVCMCGWTPG-SECBINFHSA-N 1 0 339.779 2.683 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593039295 479139120 /nfs/dbraw/zinc/13/91/20/479139120.db2.gz PXDHBXHPGLGJOT-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO C[C@]1(c2cccc(F)c2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593041774 479139952 /nfs/dbraw/zinc/13/99/52/479139952.db2.gz YHIAJVXWVPJKDV-SFHVURJKSA-N 1 0 345.374 2.559 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCCOC1 ZINC000599054554 479140880 /nfs/dbraw/zinc/14/08/80/479140880.db2.gz BMXUVVHVAPNYKS-ZIAGYGMSSA-N 1 0 335.404 2.718 10 5 EFBERO Cc1cnc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000584467241 479145378 /nfs/dbraw/zinc/14/53/78/479145378.db2.gz CSZUAAMOMSXCHG-UHFFFAOYSA-N 1 0 340.427 2.971 10 5 EFBERO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074541 479151242 /nfs/dbraw/zinc/15/12/42/479151242.db2.gz NGBBSAIPZAHJIQ-SJLPKXTDSA-N 1 0 337.379 2.999 10 5 EFBERO Cn1ccnc1[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084655 479155114 /nfs/dbraw/zinc/15/51/14/479155114.db2.gz DQSPVPUNIYWTTQ-USXIJHARSA-N 1 0 342.399 2.575 10 5 EFBERO Cn1ccnc1[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084652 479155552 /nfs/dbraw/zinc/15/55/52/479155552.db2.gz DQSPVPUNIYWTTQ-BHYGNILZSA-N 1 0 342.399 2.575 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)cc1OC(F)F ZINC000599094257 479159227 /nfs/dbraw/zinc/15/92/27/479159227.db2.gz SDPZMWJSUKKGDL-UHFFFAOYSA-N 1 0 333.310 2.678 10 5 EFBERO COCCC[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596142217 479161575 /nfs/dbraw/zinc/16/15/75/479161575.db2.gz RBKJJLSVSRREHR-UHFFFAOYSA-N 1 0 331.800 2.637 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584518000 479162310 /nfs/dbraw/zinc/16/23/10/479162310.db2.gz FTDBSIALSRXAKN-KRWDZBQOSA-N 1 0 332.404 2.765 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146822 479163651 /nfs/dbraw/zinc/16/36/51/479163651.db2.gz QGJPAEBHWFQGSH-VHSXEESVSA-N 1 0 341.795 2.929 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000593092354 479169391 /nfs/dbraw/zinc/16/93/91/479169391.db2.gz NGLMQFVFBBPONM-CQSZACIVSA-N 1 0 347.415 2.875 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000593093023 479170664 /nfs/dbraw/zinc/17/06/64/479170664.db2.gz QVKZURGYBSZCNM-CQSZACIVSA-N 1 0 347.415 2.875 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000596179227 479182620 /nfs/dbraw/zinc/18/26/20/479182620.db2.gz OPOISLJWYVPQCP-NVXWUHKLSA-N 1 0 340.383 2.551 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000596179225 479183263 /nfs/dbraw/zinc/18/32/63/479183263.db2.gz OPOISLJWYVPQCP-DOTOQJQBSA-N 1 0 340.383 2.551 10 5 EFBERO CC1([NH+]2CCOCC2)CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000599159680 479186632 /nfs/dbraw/zinc/18/66/32/479186632.db2.gz FQSDELNFEKRHMI-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119345 479186898 /nfs/dbraw/zinc/18/68/98/479186898.db2.gz WCNMHTHUGWMLHK-OAHLLOKOSA-N 1 0 339.342 2.963 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119344 479187298 /nfs/dbraw/zinc/18/72/98/479187298.db2.gz WCNMHTHUGWMLHK-HNNXBMFYSA-N 1 0 339.342 2.963 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593118908 479187440 /nfs/dbraw/zinc/18/74/40/479187440.db2.gz SXHXRUPHYQCHQZ-HNNXBMFYSA-N 1 0 339.342 2.963 10 5 EFBERO O=c1[nH]cnc2cc(NC[C@@H]3CC[N@@H+]3C3CCCC3)c([N+](=O)[O-])cc21 ZINC000599165728 479190862 /nfs/dbraw/zinc/19/08/62/479190862.db2.gz RMVYFQHEQSMNBG-LBPRGKRZSA-N 1 0 343.387 2.672 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599184047 479200234 /nfs/dbraw/zinc/20/02/34/479200234.db2.gz WYVJUAPVHKOTED-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CC[NH+](CC)CC[C@H](CO)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596219831 479206540 /nfs/dbraw/zinc/20/65/40/479206540.db2.gz XCZORITYLADUNO-LLVKDONJSA-N 1 0 345.827 2.762 10 5 EFBERO COc1cc(NCCC[N@H+](C)CCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596235199 479216363 /nfs/dbraw/zinc/21/63/63/479216363.db2.gz TZGSVZBWQUXZID-UHFFFAOYSA-N 1 0 344.843 2.552 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602172154 479216639 /nfs/dbraw/zinc/21/66/39/479216639.db2.gz NSKYDPGRWZKIFZ-FZKCQIBNSA-N 1 0 331.416 2.543 10 5 EFBERO O=[N+]([O-])c1cccc(Cl)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268433 479232810 /nfs/dbraw/zinc/23/28/10/479232810.db2.gz KKOVCBBNRMIGPU-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO COC(=O)c1c(Cl)c(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000596275430 479235838 /nfs/dbraw/zinc/23/58/38/479235838.db2.gz RYIDXGBUFRQQKQ-UHFFFAOYSA-N 1 0 327.768 2.541 10 5 EFBERO COc1cc(C(=O)NCCC[N@H+](C)CC(C)C)cc([N+](=O)[O-])c1C ZINC000593203602 479238027 /nfs/dbraw/zinc/23/80/27/479238027.db2.gz PMXDBMJRLVLSFZ-UHFFFAOYSA-N 1 0 337.420 2.620 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593206474 479240719 /nfs/dbraw/zinc/24/07/19/479240719.db2.gz TUKNPOXDUQREIW-UHFFFAOYSA-N 1 0 335.448 2.967 10 5 EFBERO C[NH2+]Cc1ccccc1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000593318645 479292380 /nfs/dbraw/zinc/29/23/80/479292380.db2.gz QZDCSSHSMBJVLH-UHFFFAOYSA-N 1 0 345.399 2.621 10 5 EFBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324229 479295898 /nfs/dbraw/zinc/29/58/98/479295898.db2.gz ZEJIEGNPGVATSY-MGPQQGTHSA-N 1 0 325.434 2.517 10 5 EFBERO CN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1 ZINC000599553390 479331124 /nfs/dbraw/zinc/33/11/24/479331124.db2.gz SCLLIEGLUZKLDH-CABCVRRESA-N 1 0 335.429 2.528 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC000596566377 479341442 /nfs/dbraw/zinc/34/14/42/479341442.db2.gz KHJHGYPUHSWJBS-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC000596566378 479341527 /nfs/dbraw/zinc/34/15/27/479341527.db2.gz KHJHGYPUHSWJBS-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596569624 479343307 /nfs/dbraw/zinc/34/33/07/479343307.db2.gz AHFZTCSWDYJGBG-CQSZACIVSA-N 1 0 347.415 2.915 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599597136 479346273 /nfs/dbraw/zinc/34/62/73/479346273.db2.gz USYWBMHLBKOJTI-SFHVURJKSA-N 1 0 349.431 2.763 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)nccc2NCCCC[NH+]1CCOCC1 ZINC000593455312 479348494 /nfs/dbraw/zinc/34/84/94/479348494.db2.gz RCHVWTUHFMPXDL-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(C(F)(F)F)CC1)OCCO2 ZINC000586782168 479352569 /nfs/dbraw/zinc/35/25/69/479352569.db2.gz UJPMDIVHWUXGLN-UHFFFAOYSA-N 1 0 332.278 2.798 10 5 EFBERO Cn1ncc2c1CC(C)(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000596598616 479353328 /nfs/dbraw/zinc/35/33/28/479353328.db2.gz IYGIARMTPFHGIH-UHFFFAOYSA-N 1 0 328.416 2.955 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599626486 479358539 /nfs/dbraw/zinc/35/85/39/479358539.db2.gz WXVYUXPJKLQDRG-XPZRHXQJSA-N 1 0 335.404 2.633 10 5 EFBERO CC(C)C[N@H+](C)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593480160 479360628 /nfs/dbraw/zinc/36/06/28/479360628.db2.gz NIDFCKNMZDBKBV-UHFFFAOYSA-N 1 0 348.447 2.877 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599661170 479376638 /nfs/dbraw/zinc/37/66/38/479376638.db2.gz SKWYYFYTBXWVPY-ZNMIVQPWSA-N 1 0 348.399 2.767 10 5 EFBERO O=C1[C@@H]([N@@H+]2CCCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599673843 479384121 /nfs/dbraw/zinc/38/41/21/479384121.db2.gz ZPRCDYGKVUVRST-INIZCTEOSA-N 1 0 329.400 2.966 10 5 EFBERO Cc1cncn1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000588037870 479386504 /nfs/dbraw/zinc/38/65/04/479386504.db2.gz QEJLCSCCPHGXEB-UHFFFAOYSA-N 1 0 338.371 2.884 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502428 479397550 /nfs/dbraw/zinc/39/75/50/479397550.db2.gz SEQUOTBPBHYATL-WCQYABFASA-N 1 0 339.367 2.612 10 5 EFBERO Nc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525082 479404672 /nfs/dbraw/zinc/40/46/72/479404672.db2.gz HZBZNACIXZVVRW-HNNXBMFYSA-N 1 0 346.387 2.511 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000611554635 479413449 /nfs/dbraw/zinc/41/34/49/479413449.db2.gz JJYQWQYWHOQBHU-GFCCVEGCSA-N 1 0 337.445 2.921 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H](OC(F)F)C1)OCCO2 ZINC000611608117 479428316 /nfs/dbraw/zinc/42/83/16/479428316.db2.gz IEPWDLUISJWFEY-NSHDSACASA-N 1 0 344.314 2.570 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000611617444 479430764 /nfs/dbraw/zinc/43/07/64/479430764.db2.gz VFHBDQSZHZBCGS-MRXNPFEDSA-N 1 0 348.447 2.688 10 5 EFBERO CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717009 479433389 /nfs/dbraw/zinc/43/33/89/479433389.db2.gz XARUPGCEULQOOT-CVEARBPZSA-N 1 0 337.468 2.843 10 5 EFBERO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829277 479442662 /nfs/dbraw/zinc/44/26/62/479442662.db2.gz FCDCKFPWVBUMRP-LLVKDONJSA-N 1 0 331.376 2.605 10 5 EFBERO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832893 479444732 /nfs/dbraw/zinc/44/47/32/479444732.db2.gz MPMRKBQXSYSUET-UHFFFAOYSA-N 1 0 345.403 2.947 10 5 EFBERO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596833071 479446570 /nfs/dbraw/zinc/44/65/70/479446570.db2.gz VTLYGXSJALNXIK-GFCCVEGCSA-N 1 0 336.392 2.598 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000593754774 479449207 /nfs/dbraw/zinc/44/92/07/479449207.db2.gz OLHLFVGJSPCWKK-UHFFFAOYSA-N 1 0 332.404 2.784 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839713 479449134 /nfs/dbraw/zinc/44/91/34/479449134.db2.gz PFLBLOLRPIOYCW-LBPRGKRZSA-N 1 0 343.387 2.701 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000618455942 479452887 /nfs/dbraw/zinc/45/28/87/479452887.db2.gz QPAYRLDALLFEKB-ZDUSSCGKSA-N 1 0 337.807 2.771 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599920707 479471006 /nfs/dbraw/zinc/47/10/06/479471006.db2.gz LXUKYVYYIOXYCN-IUODEOHRSA-N 1 0 332.404 2.548 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000611762423 479471928 /nfs/dbraw/zinc/47/19/28/479471928.db2.gz MZBCQKKNWDGDCX-OAHLLOKOSA-N 1 0 347.415 2.550 10 5 EFBERO CCOc1ccc(C(=O)NCc2ccccc2C[NH2+]C)cc1[N+](=O)[O-] ZINC000593915450 479507165 /nfs/dbraw/zinc/50/71/65/479507165.db2.gz YXZSQHSMNCXJFV-UHFFFAOYSA-N 1 0 343.383 2.643 10 5 EFBERO Cc1nccc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604472759 479523152 /nfs/dbraw/zinc/52/31/52/479523152.db2.gz GSPBLUUHMVSVQX-HNNXBMFYSA-N 1 0 342.399 2.952 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502352 479533389 /nfs/dbraw/zinc/53/33/89/479533389.db2.gz VCBDVLPJZFGJDZ-XJKSGUPXSA-N 1 0 349.431 2.544 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000589502208 479533445 /nfs/dbraw/zinc/53/34/45/479533445.db2.gz OPCXCXYTXCYJAF-INIZCTEOSA-N 1 0 349.431 2.688 10 5 EFBERO CCOC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589500009 479534239 /nfs/dbraw/zinc/53/42/39/479534239.db2.gz OYOXBTJPICYFQM-CYBMUJFWSA-N 1 0 336.388 2.630 10 5 EFBERO CC[NH+](CC)C[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502885 479534958 /nfs/dbraw/zinc/53/49/58/479534958.db2.gz FRZGJAZAUOILTK-CQSZACIVSA-N 1 0 349.431 2.545 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000589510506 479535276 /nfs/dbraw/zinc/53/52/76/479535276.db2.gz GWBQFJDAUDYRTJ-OAHLLOKOSA-N 1 0 348.399 2.630 10 5 EFBERO C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000589598039 479544610 /nfs/dbraw/zinc/54/46/10/479544610.db2.gz CZRQRAMDNJNZDS-SJCJKPOMSA-N 1 0 344.415 2.773 10 5 EFBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040069 479561485 /nfs/dbraw/zinc/56/14/85/479561485.db2.gz CWWMBACPQPCFGF-CJNGLKHVSA-N 1 0 335.404 2.861 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(F)(F)CC1 ZINC000594041850 479563562 /nfs/dbraw/zinc/56/35/62/479563562.db2.gz JUMCCWQKKWWVFC-NSHDSACASA-N 1 0 329.347 2.560 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594044955 479564194 /nfs/dbraw/zinc/56/41/94/479564194.db2.gz RKUOQYQSHPQYAJ-GDBMZVCRSA-N 1 0 335.404 2.779 10 5 EFBERO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000600186178 479571131 /nfs/dbraw/zinc/57/11/31/479571131.db2.gz BCPYJJOMBGLLRV-UHFFFAOYSA-N 1 0 328.368 2.909 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594057368 479571915 /nfs/dbraw/zinc/57/19/15/479571915.db2.gz ZHMBFWSMBDIADN-JGZJWPJOSA-N 1 0 326.784 2.710 10 5 EFBERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117427 479580214 /nfs/dbraw/zinc/58/02/14/479580214.db2.gz PFSPHBUSOHQHBU-LLVKDONJSA-N 1 0 348.403 2.929 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000594103235 479589498 /nfs/dbraw/zinc/58/94/98/479589498.db2.gz WDGDNRGQCXAKOS-JGZJWPJOSA-N 1 0 345.321 2.684 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590183921 479614819 /nfs/dbraw/zinc/61/48/19/479614819.db2.gz DWIPWEVYHVRPCK-HZMBPMFUSA-N 1 0 329.322 2.750 10 5 EFBERO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1C[NH+](C)C1 ZINC000597203823 479618532 /nfs/dbraw/zinc/61/85/32/479618532.db2.gz YBXTZPFAOHOURE-UHFFFAOYSA-N 1 0 332.429 2.712 10 5 EFBERO C[NH+](C)C1CC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590355511 479634817 /nfs/dbraw/zinc/63/48/17/479634817.db2.gz AXQGSMGOLFKYQK-UHFFFAOYSA-N 1 0 346.412 2.541 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)CC1 ZINC000590374824 479636164 /nfs/dbraw/zinc/63/61/64/479636164.db2.gz GWVZUYRRTMLPPE-UHFFFAOYSA-N 1 0 342.399 2.634 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000590442472 479648237 /nfs/dbraw/zinc/64/82/37/479648237.db2.gz HEQWABBEYIZQLN-MFKMUULPSA-N 1 0 331.397 2.586 10 5 EFBERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303187 479652088 /nfs/dbraw/zinc/65/20/88/479652088.db2.gz GHFCTHZDBLHTQR-FZKQIMNGSA-N 1 0 349.434 2.846 10 5 EFBERO Cc1c(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000590604278 479668350 /nfs/dbraw/zinc/66/83/50/479668350.db2.gz VGUUOGYKEPNCPE-KRWDZBQOSA-N 1 0 344.415 2.630 10 5 EFBERO CCOc1ccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000609833891 480211046 /nfs/dbraw/zinc/21/10/46/480211046.db2.gz ZPQKBODHTUXPLJ-CQSZACIVSA-N 1 0 335.404 2.598 10 5 EFBERO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420515 480302033 /nfs/dbraw/zinc/30/20/33/480302033.db2.gz DMOGHUWAIDIKGW-ZBFHGGJFSA-N 1 0 333.432 2.889 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000610446383 480308360 /nfs/dbraw/zinc/30/83/60/480308360.db2.gz WFXZMQVQNOFLCM-AWEZNQCLSA-N 1 0 342.399 2.660 10 5 EFBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187985280 533772241 /nfs/dbraw/zinc/77/22/41/533772241.db2.gz GMJVPPIOXOWWMY-SJCJKPOMSA-N 1 0 346.387 2.628 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000130983819 533877194 /nfs/dbraw/zinc/87/71/94/533877194.db2.gz PUUZICBQRYDXGJ-JTQLQIEISA-N 1 0 339.193 2.905 10 5 EFBERO COc1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000191675934 533884399 /nfs/dbraw/zinc/88/43/99/533884399.db2.gz KEPKYLWJUZGILV-KRWDZBQOSA-N 1 0 338.404 2.730 10 5 EFBERO COc1ccc(NC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177570377 534079617 /nfs/dbraw/zinc/07/96/17/534079617.db2.gz JBJPGXFYEBQUKM-CHWSQXEVSA-N 1 0 333.388 2.664 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400952 518183320 /nfs/dbraw/zinc/18/33/20/518183320.db2.gz QHCIREKTZJUNKZ-YSVLISHTSA-N 1 0 334.416 2.813 10 5 EFBERO CC(C)[C@H]([NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000097349733 519817920 /nfs/dbraw/zinc/81/79/20/519817920.db2.gz UTYQPADPKSWBPZ-SECBINFHSA-N 1 0 349.172 2.595 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076490644 520890575 /nfs/dbraw/zinc/89/05/75/520890575.db2.gz LJSJGMJRNGKEHU-HIFRSBDPSA-N 1 0 349.431 2.796 10 5 EFBERO CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000176979546 520890714 /nfs/dbraw/zinc/89/07/14/520890714.db2.gz JSQBLQCKKMKKOW-AWEZNQCLSA-N 1 0 335.404 2.550 10 5 EFBERO CCOc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000077729619 520915804 /nfs/dbraw/zinc/91/58/04/520915804.db2.gz PLJWOMGAYOKTLK-CQSZACIVSA-N 1 0 337.420 2.700 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090685102 522427439 /nfs/dbraw/zinc/42/74/39/522427439.db2.gz GCIKUZPBDUEFKG-SJORKVTESA-N 1 0 346.431 2.926 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000156104746 522978721 /nfs/dbraw/zinc/97/87/21/522978721.db2.gz VZBYORIEMIIKJT-GFCCVEGCSA-N 1 0 336.392 2.599 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000245434231 523317889 /nfs/dbraw/zinc/31/78/89/523317889.db2.gz REDNAJYMMKOGTM-GJZGRUSLSA-N 1 0 332.404 2.994 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000245571200 523486325 /nfs/dbraw/zinc/48/63/25/523486325.db2.gz ZBKQNUCXZUNTRP-CABCVRRESA-N 1 0 349.431 2.541 10 5 EFBERO CN(C)C(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180356307 523982700 /nfs/dbraw/zinc/98/27/00/523982700.db2.gz NFFGETAAMLGVGP-GOSISDBHSA-N 1 0 327.384 2.752 10 5 EFBERO CN1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000180585759 524013665 /nfs/dbraw/zinc/01/36/65/524013665.db2.gz VAUWWCAIWANVGM-LPHOPBHVSA-N 1 0 339.395 2.895 10 5 EFBERO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162142891 524780122 /nfs/dbraw/zinc/78/01/22/524780122.db2.gz GAEPCNWFDPVMED-SNVBAGLBSA-N 1 0 339.193 2.732 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000165667529 524905857 /nfs/dbraw/zinc/90/58/57/524905857.db2.gz UWVPYXGRHHQQHS-MRXNPFEDSA-N 1 0 333.432 2.984 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132979207 534879079 /nfs/dbraw/zinc/87/90/79/534879079.db2.gz ATVUZMGJHMTLHF-JKSUJKDBSA-N 1 0 337.395 2.914 10 5 EFBERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179128852 526389242 /nfs/dbraw/zinc/38/92/42/526389242.db2.gz BYBMMCRHEBOBOD-LLVKDONJSA-N 1 0 333.413 2.929 10 5 EFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518232 526920381 /nfs/dbraw/zinc/92/03/81/526920381.db2.gz PIOTWPALZABBLS-HNNXBMFYSA-N 1 0 330.388 2.783 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193838792 527348274 /nfs/dbraw/zinc/34/82/74/527348274.db2.gz VNCJJYPYNOBFDT-INIZCTEOSA-N 1 0 348.403 2.953 10 5 EFBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@]4(CCOC4)C3)o2)c1 ZINC000153967410 527381553 /nfs/dbraw/zinc/38/15/53/527381553.db2.gz QOXLOFPYTGAXGM-SFHVURJKSA-N 1 0 343.383 2.905 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152526192 527403548 /nfs/dbraw/zinc/40/35/48/527403548.db2.gz JGCMEPPFQYLGBK-OAHLLOKOSA-N 1 0 329.356 2.522 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120371910 527406976 /nfs/dbraw/zinc/40/69/76/527406976.db2.gz GBKXITQKZCQMHR-AWEZNQCLSA-N 1 0 336.779 2.598 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184199275 527526081 /nfs/dbraw/zinc/52/60/81/527526081.db2.gz JNJJPSQWVPHYAB-RGCHEUQESA-N 1 0 331.416 2.939 10 5 EFBERO CC[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182908038 527823331 /nfs/dbraw/zinc/82/33/31/527823331.db2.gz KDXOSOFWGTVISX-WSYSLRRZSA-N 1 0 331.416 2.798 10 5 EFBERO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000174855040 528611827 /nfs/dbraw/zinc/61/18/27/528611827.db2.gz HTZBLHFNNCNHQM-AWEZNQCLSA-N 1 0 332.404 2.753 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174533085 529066035 /nfs/dbraw/zinc/06/60/35/529066035.db2.gz NSNNOPZJDWWYQG-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174533295 529068378 /nfs/dbraw/zinc/06/83/78/529068378.db2.gz JQCIZLHGTYAKTB-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174533063 529096982 /nfs/dbraw/zinc/09/69/82/529096982.db2.gz DNGMJWUNMUJXKC-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CC[C@@H]([NH2+]CCC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181530643 529160003 /nfs/dbraw/zinc/16/00/03/529160003.db2.gz TXUGQMJOEWIIHD-CQSZACIVSA-N 1 0 332.360 2.961 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153975950 529303161 /nfs/dbraw/zinc/30/31/61/529303161.db2.gz LIQRCVUOPJDIKM-DOTOQJQBSA-N 1 0 331.416 2.613 10 5 EFBERO CC1(C2CC2)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000352176996 535108870 /nfs/dbraw/zinc/10/88/70/535108870.db2.gz WWYVZQXWCCIZJY-UHFFFAOYSA-N 1 0 343.427 2.996 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350022406 535397519 /nfs/dbraw/zinc/39/75/19/535397519.db2.gz XQGMOMQLPVUJTJ-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352416504 536751755 /nfs/dbraw/zinc/75/17/55/536751755.db2.gz HJUFKMKHMJZUGZ-HNNXBMFYSA-N 1 0 349.431 2.588 10 5 EFBERO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342705814 536822473 /nfs/dbraw/zinc/82/24/73/536822473.db2.gz UXMACBNTRSVQCX-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000427454659 536886211 /nfs/dbraw/zinc/88/62/11/536886211.db2.gz CBHXKAGLOXVCIA-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345011743 536891311 /nfs/dbraw/zinc/89/13/11/536891311.db2.gz LVFRSQJKLJMDMD-CQSZACIVSA-N 1 0 344.367 2.923 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046577 546379276 /nfs/dbraw/zinc/37/92/76/546379276.db2.gz WMECYDVKHLHPOS-JTQLQIEISA-N 1 0 341.358 2.997 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755197062 575559373 /nfs/dbraw/zinc/55/93/73/575559373.db2.gz DKHWJPNIRPCCHC-QBOMHBFWSA-N 1 0 331.416 2.846 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755197065 575559486 /nfs/dbraw/zinc/55/94/86/575559486.db2.gz DKHWJPNIRPCCHC-SYCZXOQXSA-N 1 0 331.416 2.846 10 5 EFBERO CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000759391483 575890715 /nfs/dbraw/zinc/89/07/15/575890715.db2.gz YIXKJOJXAOCLAO-ZBFHGGJFSA-N 1 0 336.436 2.807 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893880 576226309 /nfs/dbraw/zinc/22/63/09/576226309.db2.gz KRIGQJIAWKWNTI-VXGBXAGGSA-N 1 0 348.403 2.601 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893870 576226328 /nfs/dbraw/zinc/22/63/28/576226328.db2.gz KRIGQJIAWKWNTI-RYUDHWBXSA-N 1 0 348.403 2.601 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000763052301 576357370 /nfs/dbraw/zinc/35/73/70/576357370.db2.gz AQSMGNJURRKOCT-LBPRGKRZSA-N 1 0 341.383 2.655 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000763052289 576357489 /nfs/dbraw/zinc/35/74/89/576357489.db2.gz AQSMGNJURRKOCT-GFCCVEGCSA-N 1 0 341.383 2.655 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763441278 576377610 /nfs/dbraw/zinc/37/76/10/576377610.db2.gz ATIUVVRVXGKEFV-UHFFFAOYSA-N 1 0 345.265 2.706 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081869 577004768 /nfs/dbraw/zinc/00/47/68/577004768.db2.gz RDPKSMJUAXHQLV-CZUORRHYSA-N 1 0 330.388 2.711 10 5 EFBERO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849313 577082675 /nfs/dbraw/zinc/08/26/75/577082675.db2.gz OCXUJOZZLLJAQM-HZPDHXFCSA-N 1 0 332.404 2.719 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000765850379 577083028 /nfs/dbraw/zinc/08/30/28/577083028.db2.gz XXKRWAGXPQCMTM-LJQANCHMSA-N 1 0 341.411 2.887 10 5 EFBERO CS[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000772576401 581342437 /nfs/dbraw/zinc/34/24/37/581342437.db2.gz FWLHZXHSWNCMRM-UONOGXRCSA-N 1 0 343.399 2.889 10 5 EFBERO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000774582020 581494634 /nfs/dbraw/zinc/49/46/34/581494634.db2.gz OFGPUWMHZHXGCU-GFCCVEGCSA-N 1 0 338.477 2.708 10 5 EFBERO CCCN(CCNC(=O)C1CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001691176962 1248509180 /nfs/dbraw/zinc/50/91/80/1248509180.db2.gz GWYHPXDICHPRMJ-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CCC[N@H+](CCNC(=O)c1nocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691196325 1248529693 /nfs/dbraw/zinc/52/96/93/1248529693.db2.gz LMNWQZFZEIBUDO-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO Cc1ccsc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001691244212 1248566716 /nfs/dbraw/zinc/56/67/16/1248566716.db2.gz BPYCKAOXGDDLHE-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001691283226 1248593952 /nfs/dbraw/zinc/59/39/52/1248593952.db2.gz TXIYGJRAWVAZIO-UHFFFAOYSA-N 1 0 333.432 2.825 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348513 1250444104 /nfs/dbraw/zinc/44/41/04/1250444104.db2.gz NRINBGFDUTWDIV-YXMLYAQVSA-N 1 0 336.335 2.509 10 5 EFBERO COc1cc(C[NH2+]CCC2SCCS2)c([N+](=O)[O-])cc1OC ZINC000850407759 1250470227 /nfs/dbraw/zinc/47/02/27/1250470227.db2.gz PMQCOXNCZAMPOF-UHFFFAOYSA-N 1 0 344.458 2.898 10 5 EFBERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850426012 1250481143 /nfs/dbraw/zinc/48/11/43/1250481143.db2.gz RPCAWZDEMNZTQB-MLGOLLRUSA-N 1 0 346.383 2.996 10 5 EFBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000850484713 1250499885 /nfs/dbraw/zinc/49/98/85/1250499885.db2.gz OVGBXOCMQDHSAG-LBPRGKRZSA-N 1 0 342.399 2.664 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000850519728 1250523105 /nfs/dbraw/zinc/52/31/05/1250523105.db2.gz OZEHTAZXRJGWDP-HNNXBMFYSA-N 1 0 341.358 2.577 10 5 EFBERO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850567272 1250539891 /nfs/dbraw/zinc/53/98/91/1250539891.db2.gz ZKXKHZZLVDHSNO-SNVBAGLBSA-N 1 0 329.347 2.768 10 5 EFBERO C[C@@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000922557329 1266253419 /nfs/dbraw/zinc/25/34/19/1266253419.db2.gz OEHUDWNIUGSRKS-ABAIWWIYSA-N 1 0 332.429 2.901 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(OC)CCSC1 ZINC000922572044 1266276129 /nfs/dbraw/zinc/27/61/29/1266276129.db2.gz RDXBBHQHULCTBX-HNNXBMFYSA-N 1 0 326.418 2.605 10 5 EFBERO [NH3+]Cc1cccc2c1N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000923400827 1261611009 /nfs/dbraw/zinc/61/10/09/1261611009.db2.gz FNANNTSMCWMVDZ-KRWDZBQOSA-N 1 0 327.384 2.540 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000824655852 1278221126 /nfs/dbraw/zinc/22/11/26/1278221126.db2.gz ZZFJNYFVYNJYOM-ZENOOKHLSA-N 1 0 340.807 2.610 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000733161706 1265104628 /nfs/dbraw/zinc/10/46/28/1265104628.db2.gz OXWHTZFQZAZQAY-UHFFFAOYSA-N 1 0 348.447 2.657 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1occc1C ZINC001273266905 1265262704 /nfs/dbraw/zinc/26/27/04/1265262704.db2.gz FDOZHWVOIRKYPW-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCOc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000823366336 1265317537 /nfs/dbraw/zinc/31/75/37/1265317537.db2.gz HMIYBPCQLKBHDC-NWDGAFQWSA-N 1 0 336.392 2.550 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000823658034 1265395498 /nfs/dbraw/zinc/39/54/98/1265395498.db2.gz ZQCIMSAUCGJUET-UONOGXRCSA-N 1 0 337.807 2.851 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922814591 1266922617 /nfs/dbraw/zinc/92/26/17/1266922617.db2.gz YKYYIDRMXHVHPX-ZDUSSCGKSA-N 1 0 336.388 2.890 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000825164475 1267027217 /nfs/dbraw/zinc/02/72/17/1267027217.db2.gz VKKOCCGOZLWJRW-UHFFFAOYSA-N 1 0 349.431 2.615 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000828006060 1267561187 /nfs/dbraw/zinc/56/11/87/1267561187.db2.gz XYTLSFHFTYCTMG-HOTGVXAUSA-N 1 0 331.416 2.516 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000740006291 1268787689 /nfs/dbraw/zinc/78/76/89/1268787689.db2.gz JNZBFPMHXGAXIF-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=C(CCCF)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001273134421 1270108070 /nfs/dbraw/zinc/10/80/70/1270108070.db2.gz UNOLBAIWXGDRAL-UHFFFAOYSA-N 1 0 329.397 2.535 10 5 EFBERO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000746045915 1271739370 /nfs/dbraw/zinc/73/93/70/1271739370.db2.gz QRWGPJPDOPELTE-SJCJKPOMSA-N 1 0 346.383 2.996 10 5 EFBERO O=C1O[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000844312678 1278858505 /nfs/dbraw/zinc/85/85/05/1278858505.db2.gz HOJRHIZJONZNSW-MRXNPFEDSA-N 1 0 331.372 2.542 10 5 EFBERO O=C1O[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000844312674 1278859042 /nfs/dbraw/zinc/85/90/42/1278859042.db2.gz HOJRHIZJONZNSW-INIZCTEOSA-N 1 0 331.372 2.542 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525047 1276200415 /nfs/dbraw/zinc/20/04/15/1276200415.db2.gz BHCJOFZNHHRWID-CYBMUJFWSA-N 1 0 341.415 2.892 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922952760 1276385429 /nfs/dbraw/zinc/38/54/29/1276385429.db2.gz HXBMYJPIYUIHMB-ILCZHQDMSA-N 1 0 345.443 2.841 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922956614 1276403588 /nfs/dbraw/zinc/40/35/88/1276403588.db2.gz XWGCOHVRFXFCCF-INIZCTEOSA-N 1 0 333.432 2.555 10 5 EFBERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013609 1276588295 /nfs/dbraw/zinc/58/82/95/1276588295.db2.gz DUJIFSHONSMQON-DLBZAZTESA-N 1 0 328.368 2.968 10 5 EFBERO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819261475 1276716956 /nfs/dbraw/zinc/71/69/56/1276716956.db2.gz KQLCHPMJKXTAJR-CRAIPNDOSA-N 1 0 344.415 2.553 10 5 EFBERO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000819266366 1276718481 /nfs/dbraw/zinc/71/84/81/1276718481.db2.gz MGQNDHGBFVWEMS-QGZVFWFLSA-N 1 0 340.383 2.911 10 5 EFBERO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2)cc1 ZINC000789538966 1276794020 /nfs/dbraw/zinc/79/40/20/1276794020.db2.gz CUXUWGNLWMMTCM-SFHVURJKSA-N 1 0 342.399 2.918 10 5 EFBERO C/C(=C\C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000819718882 1276893262 /nfs/dbraw/zinc/89/32/62/1276893262.db2.gz JTQPFFKUHXTNIX-UJDGICINSA-N 1 0 329.400 2.551 10 5 EFBERO C/C(=C/C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642732 1279163459 /nfs/dbraw/zinc/16/34/59/1279163459.db2.gz KNLSWDBDEPQKED-HQZAUCPKSA-N 1 0 331.416 2.938 10 5 EFBERO C/C(=C\C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642734 1279163797 /nfs/dbraw/zinc/16/37/97/1279163797.db2.gz KNLSWDBDEPQKED-XUNCZOGOSA-N 1 0 331.416 2.938 10 5 EFBERO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872035004 1287406583 /nfs/dbraw/zinc/40/65/83/1287406583.db2.gz JMZGIJCDINKCJI-KGLIPLIRSA-N 1 0 339.411 2.621 10 5 EFBERO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872035005 1287406725 /nfs/dbraw/zinc/40/67/25/1287406725.db2.gz JMZGIJCDINKCJI-UONOGXRCSA-N 1 0 339.411 2.621 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846614395 1280320900 /nfs/dbraw/zinc/32/09/00/1280320900.db2.gz NJFGTRNDGZWBEK-CCEZHUSRSA-N 1 0 331.416 2.942 10 5 EFBERO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062017 1287416476 /nfs/dbraw/zinc/41/64/76/1287416476.db2.gz JGHMDYGEMDSFTQ-SMDDNHRTSA-N 1 0 326.368 2.562 10 5 EFBERO COC(=O)N1CCC(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872071679 1287419393 /nfs/dbraw/zinc/41/93/93/1287419393.db2.gz UVHVAUDLVWUFRS-NSHDSACASA-N 1 0 339.367 2.863 10 5 EFBERO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080214 1287422326 /nfs/dbraw/zinc/42/23/26/1287422326.db2.gz OTWJBAHIUXHJQA-LBPRGKRZSA-N 1 0 340.395 2.952 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872086002 1287424774 /nfs/dbraw/zinc/42/47/74/1287424774.db2.gz SUMULKAKMHQNDC-COMQUAJESA-N 1 0 340.395 2.951 10 5 EFBERO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088406 1287425315 /nfs/dbraw/zinc/42/53/15/1287425315.db2.gz NYAWAZARDQZODC-OCCSQVGLSA-N 1 0 337.395 2.638 10 5 EFBERO CCCC[N@H+](C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001144947780 1280541174 /nfs/dbraw/zinc/54/11/74/1280541174.db2.gz QJDMETHWGHKCNH-UHFFFAOYSA-N 1 0 333.432 2.865 10 5 EFBERO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000846972656 1280640660 /nfs/dbraw/zinc/64/06/60/1280640660.db2.gz XLZHWWSTGZSPNT-MAUKXSAKSA-N 1 0 327.384 2.821 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872149510 1287445550 /nfs/dbraw/zinc/44/55/50/1287445550.db2.gz NTZWEZODDKJHAO-MWLCHTKSSA-N 1 0 337.729 2.817 10 5 EFBERO Cc1c(Cc2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000872176431 1287463273 /nfs/dbraw/zinc/46/32/73/1287463273.db2.gz UKMPDQHMFQETNL-SBDDDAINSA-N 1 0 328.372 2.890 10 5 EFBERO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000872231975 1287489079 /nfs/dbraw/zinc/48/90/79/1287489079.db2.gz VXBIGBHFQNWRBJ-LBPRGKRZSA-N 1 0 332.347 2.606 10 5 EFBERO CC(C)OC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000872245175 1287498124 /nfs/dbraw/zinc/49/81/24/1287498124.db2.gz ZLKNVAWONDZEKF-UHFFFAOYSA-N 1 0 335.404 2.861 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001175642935 1287498999 /nfs/dbraw/zinc/49/89/99/1287498999.db2.gz GCTDEGGAEVKHJQ-JSGCOSHPSA-N 1 0 343.387 2.551 10 5 EFBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000808229446 1281598630 /nfs/dbraw/zinc/59/86/30/1281598630.db2.gz BBQSQIDBGPKKFF-HNNXBMFYSA-N 1 0 327.388 2.933 10 5 EFBERO COC(=O)CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809727493 1282407166 /nfs/dbraw/zinc/40/71/66/1282407166.db2.gz LDHHICSPJVMDTK-UHFFFAOYSA-N 1 0 349.431 2.887 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735260 1282414207 /nfs/dbraw/zinc/41/42/07/1282414207.db2.gz XXFVKLWIVHCHRH-UHFFFAOYSA-N 1 0 330.344 2.777 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000809709339 1282421562 /nfs/dbraw/zinc/42/15/62/1282421562.db2.gz PYMKHZZFHOIVGU-INIZCTEOSA-N 1 0 335.404 2.956 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCc2ccccc2[N+](=O)[O-])C1 ZINC000810630520 1283438343 /nfs/dbraw/zinc/43/83/43/1283438343.db2.gz LBRYONGEPJZFHP-KRWDZBQOSA-N 1 0 338.379 2.893 10 5 EFBERO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626553 1287644355 /nfs/dbraw/zinc/64/43/55/1287644355.db2.gz GZBUHTUQNASHDY-IINYFYTJSA-N 1 0 331.347 2.970 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2csc([N+](=O)[O-])c2)C1 ZINC000811447880 1284325487 /nfs/dbraw/zinc/32/54/87/1284325487.db2.gz QKMYDKQYLWWXHC-AWEZNQCLSA-N 1 0 330.381 2.912 10 5 EFBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnn1 ZINC000811489201 1284346556 /nfs/dbraw/zinc/34/65/56/1284346556.db2.gz ZOSQLRUFVAOSNV-UHFFFAOYSA-N 1 0 330.175 2.673 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000811848665 1284716572 /nfs/dbraw/zinc/71/65/72/1284716572.db2.gz NUCPTBXYNPOOSH-JWJUJFCLSA-N 1 0 335.404 2.922 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000812946166 1285520869 /nfs/dbraw/zinc/52/08/69/1285520869.db2.gz QLGQTYGENDJFMV-OAHLLOKOSA-N 1 0 327.331 2.885 10 5 EFBERO Nc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635029 1289075144 /nfs/dbraw/zinc/07/51/44/1289075144.db2.gz OAUBTKLUXOUGDG-BIMULSAOSA-N 1 0 329.360 2.820 10 5 EFBERO O=C(Nc1n[nH]c2ccccc21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001135392410 1287993420 /nfs/dbraw/zinc/99/34/20/1287993420.db2.gz TZMPTFIZLWMEMW-UHFFFAOYSA-N 1 0 348.322 2.909 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cn(C)nn3)C2)ccc1[N+](=O)[O-] ZINC001176879585 1288159279 /nfs/dbraw/zinc/15/92/79/1288159279.db2.gz LUHLTPQQQURSCN-CQSZACIVSA-N 1 0 345.403 2.502 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cncn2C)CC1 ZINC001176978337 1288204641 /nfs/dbraw/zinc/20/46/41/1288204641.db2.gz RAXYNUICLSZVLN-UHFFFAOYSA-N 1 0 330.388 2.717 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001136452970 1288736750 /nfs/dbraw/zinc/73/67/50/1288736750.db2.gz PBYAFLZZKMJJJY-ZDUSSCGKSA-N 1 0 337.395 2.893 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001136453154 1288736863 /nfs/dbraw/zinc/73/68/63/1288736863.db2.gz VYJCTXGSUMCAOE-AWEZNQCLSA-N 1 0 349.431 2.844 10 5 EFBERO C[N@@H+]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(C)(C)C1 ZINC001178710236 1288882329 /nfs/dbraw/zinc/88/23/29/1288882329.db2.gz YCPMUUIZUIHZNO-CQSZACIVSA-N 1 0 333.413 2.880 10 5 EFBERO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001136820620 1289531644 /nfs/dbraw/zinc/53/16/44/1289531644.db2.gz AXPQJCZOBAOWIL-LBPRGKRZSA-N 1 0 337.807 2.949 10 5 EFBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136839418 1289577495 /nfs/dbraw/zinc/57/74/95/1289577495.db2.gz HYSWZJQLEJNPRP-NSHDSACASA-N 1 0 325.796 2.662 10 5 EFBERO Cc1cc(Br)cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000775029163 1290976947 /nfs/dbraw/zinc/97/69/47/1290976947.db2.gz MYVTXAYCDQAQER-UHFFFAOYSA-N 1 0 339.193 2.652 10 5 EFBERO [NH3+][C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C(F)(F)F ZINC000903539098 1312838002 /nfs/dbraw/zinc/83/80/02/1312838002.db2.gz KEFYSOIQKKXIKG-PWSUYJOCSA-N 1 0 337.729 2.960 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C(C)(C)C ZINC000880611954 1292556819 /nfs/dbraw/zinc/55/68/19/1292556819.db2.gz BIWZIVLMEWQODA-INIZCTEOSA-N 1 0 344.415 2.878 10 5 EFBERO C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192387440 1292885746 /nfs/dbraw/zinc/88/57/46/1292885746.db2.gz CAYJGCQGBBPSSX-HNNXBMFYSA-N 1 0 333.432 2.528 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000882501301 1293226863 /nfs/dbraw/zinc/22/68/63/1293226863.db2.gz QJBGRBKQXCEOPQ-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO CC(=O)c1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000882820187 1293338048 /nfs/dbraw/zinc/33/80/48/1293338048.db2.gz HOJXJLLSNLSEOQ-CYBMUJFWSA-N 1 0 340.383 2.908 10 5 EFBERO CCC[C@@]1(CO)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001194781678 1293708387 /nfs/dbraw/zinc/70/83/87/1293708387.db2.gz HHVVCBSDZRUOLG-QGZVFWFLSA-N 1 0 346.387 2.629 10 5 EFBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC001196039396 1294118543 /nfs/dbraw/zinc/11/85/43/1294118543.db2.gz MQYORYXQBPAJKY-GOSISDBHSA-N 1 0 344.411 2.899 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC001196789822 1294365886 /nfs/dbraw/zinc/36/58/86/1294365886.db2.gz OKKWZLTZFDAUBW-GFCCVEGCSA-N 1 0 343.387 2.574 10 5 EFBERO CC(=O)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001196906691 1294409883 /nfs/dbraw/zinc/40/98/83/1294409883.db2.gz DKYISXMLUYAOGJ-SFHVURJKSA-N 1 0 344.367 2.517 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)O2)[C@H]1C ZINC000886339311 1294873536 /nfs/dbraw/zinc/87/35/36/1294873536.db2.gz YNNPOMNFUOSXLA-ZILJWTLNSA-N 1 0 338.379 2.796 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818390 1294874430 /nfs/dbraw/zinc/87/44/30/1294874430.db2.gz XFKORQBKQVNJPH-NWDGAFQWSA-N 1 0 339.367 2.690 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001198612302 1295147398 /nfs/dbraw/zinc/14/73/98/1295147398.db2.gz NDSJLMJFIAANLV-ZIAGYGMSSA-N 1 0 329.404 2.972 10 5 EFBERO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887095485 1295274714 /nfs/dbraw/zinc/27/47/14/1295274714.db2.gz NMLKZSXODPCZFP-INIZCTEOSA-N 1 0 344.367 2.531 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)o1 ZINC001273853653 1296334601 /nfs/dbraw/zinc/33/46/01/1296334601.db2.gz XJNWSAGOQQRWDA-ONEGZZNKSA-N 1 0 349.774 2.917 10 5 EFBERO COc1cc(COC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000803859473 1313265316 /nfs/dbraw/zinc/26/53/16/1313265316.db2.gz PVUOVRMCGZSCDT-CQSZACIVSA-N 1 0 336.388 2.911 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803859049 1313265478 /nfs/dbraw/zinc/26/54/78/1313265478.db2.gz LYVWIYSHXMETBB-CQSZACIVSA-N 1 0 336.388 2.911 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000931627308 1297358502 /nfs/dbraw/zinc/35/85/02/1297358502.db2.gz ZMIYUBZZHAYHGL-ONGXEEELSA-N 1 0 326.784 2.771 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000903941171 1313454448 /nfs/dbraw/zinc/45/44/48/1313454448.db2.gz PSZRLOGDTZDNRL-UHFFFAOYSA-N 1 0 338.820 2.722 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000903984361 1313537332 /nfs/dbraw/zinc/53/73/32/1313537332.db2.gz UVBRZSVVTNFJOG-PWSUYJOCSA-N 1 0 337.729 2.960 10 5 EFBERO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851951621 1299482688 /nfs/dbraw/zinc/48/26/88/1299482688.db2.gz ZFPRNDZYJAZGHU-DGCLKSJQSA-N 1 0 339.367 2.690 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000852086962 1299542967 /nfs/dbraw/zinc/54/29/67/1299542967.db2.gz YNLAYWHOICTEEL-CRAIPNDOSA-N 1 0 327.384 2.903 10 5 EFBERO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000776604604 1299776683 /nfs/dbraw/zinc/77/66/83/1299776683.db2.gz CZGFOEPDNAPMAG-HOTGVXAUSA-N 1 0 332.404 2.739 10 5 EFBERO CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852699080 1299820629 /nfs/dbraw/zinc/82/06/29/1299820629.db2.gz ZHAGKUYGKVRQCD-CYBMUJFWSA-N 1 0 339.823 2.985 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852897500 1299931572 /nfs/dbraw/zinc/93/15/72/1299931572.db2.gz CGOSYMGIBKRGIZ-JZLODUJNSA-N 1 0 343.427 2.846 10 5 EFBERO CC(C)[C@H](O)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853114820 1300013891 /nfs/dbraw/zinc/01/38/91/1300013891.db2.gz QSIHJCYWQFHQSU-FHWLQOOXSA-N 1 0 344.411 2.976 10 5 EFBERO Cc1nn(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853542470 1300157838 /nfs/dbraw/zinc/15/78/38/1300157838.db2.gz AYFABBSRYBHGEB-CALCHBBNSA-N 1 0 330.388 2.569 10 5 EFBERO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCOCC3)CC2)c(F)c1 ZINC000853688026 1300229945 /nfs/dbraw/zinc/22/99/45/1300229945.db2.gz CRBDJWOARWSMBZ-UHFFFAOYSA-N 1 0 341.358 2.564 10 5 EFBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548784 1300414751 /nfs/dbraw/zinc/41/47/51/1300414751.db2.gz ZOHCONONXFOYGA-FZMZJTMJSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548785 1300414790 /nfs/dbraw/zinc/41/47/90/1300414790.db2.gz ZOHCONONXFOYGA-RISCZKNCSA-N 1 0 337.807 2.852 10 5 EFBERO CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000854097234 1300425034 /nfs/dbraw/zinc/42/50/34/1300425034.db2.gz FZTFHZLMTPLGQH-BBRMVZONSA-N 1 0 334.420 2.782 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854498112 1300593065 /nfs/dbraw/zinc/59/30/65/1300593065.db2.gz KUZSQIDVPXUVDC-SQFISAMPSA-N 1 0 343.427 2.942 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC001273956760 1300739408 /nfs/dbraw/zinc/73/94/08/1300739408.db2.gz LLEYCAGTJNNHLP-ONEGZZNKSA-N 1 0 343.383 2.880 10 5 EFBERO CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489596 1300979390 /nfs/dbraw/zinc/97/93/90/1300979390.db2.gz AVMQIAMYJQAZPT-ABDJAZHISA-N 1 0 331.416 2.941 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859287726 1301418703 /nfs/dbraw/zinc/41/87/03/1301418703.db2.gz ZGEYNORBCYHXMM-ZDUSSCGKSA-N 1 0 327.384 2.820 10 5 EFBERO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859775604 1301575853 /nfs/dbraw/zinc/57/58/53/1301575853.db2.gz XDGMJPMKCJXEOJ-CYBMUJFWSA-N 1 0 327.384 2.820 10 5 EFBERO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000860057558 1301686363 /nfs/dbraw/zinc/68/63/63/1301686363.db2.gz VFMSAQQZRIOITE-SNVBAGLBSA-N 1 0 348.384 2.700 10 5 EFBERO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000861338782 1302074712 /nfs/dbraw/zinc/07/47/12/1302074712.db2.gz FDIGIGSDAATGMC-IAQYHMDHSA-N 1 0 342.779 2.514 10 5 EFBERO Cc1c(CC(=O)OCC23CCC[NH+](CCC2)C3)cccc1[N+](=O)[O-] ZINC000861361117 1302105716 /nfs/dbraw/zinc/10/57/16/1302105716.db2.gz QLBGXIQABANIGC-UHFFFAOYSA-N 1 0 332.400 2.865 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862792609 1302460307 /nfs/dbraw/zinc/46/03/07/1302460307.db2.gz AXDSQFBCQYPRRP-QBOMHBFWSA-N 1 0 331.416 2.846 10 5 EFBERO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000863231041 1302561345 /nfs/dbraw/zinc/56/13/45/1302561345.db2.gz XVYZVVZJLVDMLT-OAHLLOKOSA-N 1 0 334.445 2.898 10 5 EFBERO [NH3+]C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000863559057 1302650846 /nfs/dbraw/zinc/65/08/46/1302650846.db2.gz GCYQFAZFQUPNAV-ZANVPECISA-N 1 0 335.301 2.836 10 5 EFBERO COc1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)cc1[N+](=O)[O-] ZINC000865805717 1303409944 /nfs/dbraw/zinc/40/99/44/1303409944.db2.gz AUVZLGZWDZYFOG-KRWDZBQOSA-N 1 0 327.384 2.880 10 5 EFBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000865999343 1303482701 /nfs/dbraw/zinc/48/27/01/1303482701.db2.gz PBPCMPNGCDCTQW-JTQLQIEISA-N 1 0 347.337 2.871 10 5 EFBERO C[NH+]1CCC2(CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)CC1 ZINC000866055001 1303504970 /nfs/dbraw/zinc/50/49/70/1303504970.db2.gz OCIPSIUEQJTGPM-UHFFFAOYSA-N 1 0 329.404 2.555 10 5 EFBERO COc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866207281 1303563157 /nfs/dbraw/zinc/56/31/57/1303563157.db2.gz CDOQLQRHXFUMCU-JQWIXIFHSA-N 1 0 325.796 2.787 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208564 1303564543 /nfs/dbraw/zinc/56/45/43/1303564543.db2.gz UCGKHVNGYPCHLL-PWSUYJOCSA-N 1 0 340.221 2.888 10 5 EFBERO CCOc1cccc(N(C)CC[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866257537 1303582623 /nfs/dbraw/zinc/58/26/23/1303582623.db2.gz JFHSIJOPTZTWQH-UHFFFAOYSA-N 1 0 349.431 2.542 10 5 EFBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000866259268 1303583865 /nfs/dbraw/zinc/58/38/65/1303583865.db2.gz AEUVNDWFBSNGLF-DYVFJYSZSA-N 1 0 332.375 2.858 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1CC1 ZINC000866444312 1303643726 /nfs/dbraw/zinc/64/37/26/1303643726.db2.gz FHVSZYINJJHTSD-SCVNYCPESA-N 1 0 328.412 2.929 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866533399 1303675829 /nfs/dbraw/zinc/67/58/29/1303675829.db2.gz IGZDTHQQOALHIF-CZUORRHYSA-N 1 0 332.400 2.757 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000866540285 1303679478 /nfs/dbraw/zinc/67/94/78/1303679478.db2.gz XRRTVBTVXYGBHM-NXOAAHMSSA-N 1 0 348.447 2.927 10 5 EFBERO C[C@H](Cc1ccccc1F)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943795 1304031113 /nfs/dbraw/zinc/03/11/13/1304031113.db2.gz GMJGCLFZLHCTAI-XIKOKIGWSA-N 1 0 345.374 2.655 10 5 EFBERO C[C@]([NH3+])(C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867982273 1304057357 /nfs/dbraw/zinc/05/73/57/1304057357.db2.gz NWYXVGMGCISCRW-RRFJBIMHSA-N 1 0 343.786 2.590 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000867983611 1304058024 /nfs/dbraw/zinc/05/80/24/1304058024.db2.gz QDEQEOFLVPGQCJ-UHFFFAOYSA-N 1 0 334.420 2.575 10 5 EFBERO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867996169 1304067395 /nfs/dbraw/zinc/06/73/95/1304067395.db2.gz SGPVBAIUKJAXJC-UHFFFAOYSA-N 1 0 327.384 2.595 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000870508129 1305367899 /nfs/dbraw/zinc/36/78/99/1305367899.db2.gz SMNBDMKCPFQNBF-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO C/C(=C\C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000795128548 1305396327 /nfs/dbraw/zinc/39/63/27/1305396327.db2.gz HFMXPIMSRVWGAZ-BJRSVTDJSA-N 1 0 329.400 2.552 10 5 EFBERO C/C(=C/C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000795128555 1305396926 /nfs/dbraw/zinc/39/69/26/1305396926.db2.gz HFMXPIMSRVWGAZ-RMHQSFGDSA-N 1 0 329.400 2.552 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000870567940 1305402834 /nfs/dbraw/zinc/40/28/34/1305402834.db2.gz VBYBGQBTRPWNOC-INIZCTEOSA-N 1 0 336.388 2.687 10 5 EFBERO CCc1ccc(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870992398 1305733541 /nfs/dbraw/zinc/73/35/41/1305733541.db2.gz QMFVFHASYDNSHN-GOSISDBHSA-N 1 0 333.432 2.994 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871149909 1305836872 /nfs/dbraw/zinc/83/68/72/1305836872.db2.gz ITXCJXFZIRGYMA-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO Cc1sc(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000871356910 1306018014 /nfs/dbraw/zinc/01/80/14/1306018014.db2.gz ODRYPLHIYZXFEM-UHFFFAOYSA-N 1 0 325.434 2.957 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000871357267 1306018108 /nfs/dbraw/zinc/01/81/08/1306018108.db2.gz CFXYPAUCXPIYJH-UHFFFAOYSA-N 1 0 349.431 2.743 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)F ZINC001490925544 1311141218 /nfs/dbraw/zinc/14/12/18/1311141218.db2.gz DHDVQVIYVFWEIU-HAQNSBGRSA-N 1 0 341.358 2.623 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC001277037587 1311513871 /nfs/dbraw/zinc/51/38/71/1311513871.db2.gz WRTCGVAQXAVTKA-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO C[C@@H](NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001160599544 1311743428 /nfs/dbraw/zinc/74/34/28/1311743428.db2.gz LHLAEGPLSZDPKB-UKRRQHHQSA-N 1 0 340.383 2.694 10 5 EFBERO C[C@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001160599546 1311743845 /nfs/dbraw/zinc/74/38/45/1311743845.db2.gz LHLAEGPLSZDPKB-ZFWWWQNUSA-N 1 0 340.383 2.694 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001162597743 1312132387 /nfs/dbraw/zinc/13/23/87/1312132387.db2.gz KDDFIVSYARHARD-SMDDNHRTSA-N 1 0 335.433 2.885 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001230515620 1312251937 /nfs/dbraw/zinc/25/19/37/1312251937.db2.gz WRZWCLKIFYDPOC-BRWVUGGUSA-N 1 0 346.431 2.924 10 5 EFBERO C[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001163312300 1312286861 /nfs/dbraw/zinc/28/68/61/1312286861.db2.gz NWLOWVGAZCFPHA-PHIMTYICSA-N 1 0 347.337 2.505 10 5 EFBERO CCC(CC)[NH2+]CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163635661 1312351670 /nfs/dbraw/zinc/35/16/70/1312351670.db2.gz FBJHZZIBSZDQHQ-UHFFFAOYSA-N 1 0 343.431 2.972 10 5 EFBERO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163900997 1312404781 /nfs/dbraw/zinc/40/47/81/1312404781.db2.gz HNGCGBVAASTMCJ-CZUORRHYSA-N 1 0 341.415 2.873 10 5 EFBERO CN1C[C@@H](CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903211564 1312466486 /nfs/dbraw/zinc/46/64/86/1312466486.db2.gz TVAJDYMIWOQZFN-GUYCJALGSA-N 1 0 331.416 2.820 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000903216191 1312470377 /nfs/dbraw/zinc/47/03/77/1312470377.db2.gz WFTUQMZBNHOSRE-QWHCGFSZSA-N 1 0 335.404 2.513 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000903216190 1312470874 /nfs/dbraw/zinc/47/08/74/1312470874.db2.gz WFTUQMZBNHOSRE-OLZOCXBDSA-N 1 0 335.404 2.513 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CC(N)=O)C1 ZINC000903260288 1312515412 /nfs/dbraw/zinc/51/54/12/1312515412.db2.gz NQZYSWHGJGKLOS-CPCZMJQVSA-N 1 0 337.445 2.709 10 5 EFBERO NC(=O)CC1CC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000903261645 1312517463 /nfs/dbraw/zinc/51/74/63/1312517463.db2.gz ZRYMNWDBFTULRO-NSRCDFIJSA-N 1 0 339.395 2.928 10 5 EFBERO C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903344737 1312585174 /nfs/dbraw/zinc/58/51/74/1312585174.db2.gz AXXFSFUXHLWBCB-GFCCVEGCSA-N 1 0 338.379 2.706 10 5 EFBERO CC(C)O[C@]1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000903357768 1312595089 /nfs/dbraw/zinc/59/50/89/1312595089.db2.gz PAISINOGJXJDFM-LRDDRELGSA-N 1 0 326.368 2.969 10 5 EFBERO CC(C)O[C@@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000903357939 1312595678 /nfs/dbraw/zinc/59/56/78/1312595678.db2.gz QIWLTYZNLFGNLF-CXAGYDPISA-N 1 0 340.395 2.839 10 5 EFBERO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC001261852487 1316434008 /nfs/dbraw/zinc/43/40/08/1316434008.db2.gz FNIWOLZECHICPO-LBPRGKRZSA-N 1 0 333.363 2.901 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001263637771 1316553049 /nfs/dbraw/zinc/55/30/49/1316553049.db2.gz BFIJMRCNRWFIGY-NDMJEZRESA-N 1 0 338.795 2.710 10 5 EFBERO CC[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1[N+](=O)[O-] ZINC001265129858 1316729845 /nfs/dbraw/zinc/72/98/45/1316729845.db2.gz YIIOWBCGENJWSI-FVQHAEBGSA-N 1 0 345.443 2.969 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccoc1 ZINC001265154195 1316741172 /nfs/dbraw/zinc/74/11/72/1316741172.db2.gz WPRPVDJHAPFIHX-UHFFFAOYSA-N 1 0 343.383 2.972 10 5 EFBERO C/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266179699 1317126515 /nfs/dbraw/zinc/12/65/15/1317126515.db2.gz LFRMDAGUVMAYFG-CPSFFCFKSA-N 1 0 331.416 2.984 10 5 EFBERO Cc1occc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001280465605 1317574961 /nfs/dbraw/zinc/57/49/61/1317574961.db2.gz LDZHSFVYAQZTDV-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO O=C(CC1CCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001280473532 1317578487 /nfs/dbraw/zinc/57/84/87/1317578487.db2.gz VEFZGJVEWRSBRU-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC(C)OCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318943944 1328747174 /nfs/dbraw/zinc/74/71/74/1328747174.db2.gz WGFXWAPKJSYAQS-WKILWMFISA-N 1 0 349.431 2.537 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(CCF)CC1 ZINC001316618773 1318825292 /nfs/dbraw/zinc/82/52/92/1318825292.db2.gz VJGVBWDOPSUPOA-GASCZTMLSA-N 1 0 349.406 2.719 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316630128 1320044101 /nfs/dbraw/zinc/04/41/01/1320044101.db2.gz AMCKOIOAHQIVDR-MQMHXKEQSA-N 1 0 335.429 2.751 10 5 EFBERO CC[NH+](CC)CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001290038477 1321867650 /nfs/dbraw/zinc/86/76/50/1321867650.db2.gz RNYDMQUWDUFGTI-UHFFFAOYSA-N 1 0 327.812 2.639 10 5 EFBERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001292068426 1322033550 /nfs/dbraw/zinc/03/35/50/1322033550.db2.gz JCDVDTBBUXSIKK-UHFFFAOYSA-N 1 0 342.399 2.680 10 5 EFBERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001292096633 1322037405 /nfs/dbraw/zinc/03/74/05/1322037405.db2.gz DXDHDDSWOQTLJU-BETUJISGSA-N 1 0 348.447 2.663 10 5 EFBERO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001296399796 1322903599 /nfs/dbraw/zinc/90/35/99/1322903599.db2.gz CEDZFMJTPWPEOP-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(F)F ZINC001320043127 1329063739 /nfs/dbraw/zinc/06/37/39/1329063739.db2.gz QQVXBNTYLOXVCP-UHFFFAOYSA-N 1 0 329.347 2.530 10 5 EFBERO CC[NH+](CC)CC[C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001307233733 1323296310 /nfs/dbraw/zinc/29/63/10/1323296310.db2.gz HNQKOSLFCXGZQY-ZDUSSCGKSA-N 1 0 346.431 2.979 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001307236589 1323369176 /nfs/dbraw/zinc/36/91/76/1323369176.db2.gz ZNZBBOQYEFXPCV-LBPRGKRZSA-N 1 0 330.388 2.682 10 5 EFBERO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001298169796 1323453120 /nfs/dbraw/zinc/45/31/20/1323453120.db2.gz JLOYWOXYDNNBJI-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO C[NH+](C)Cc1ccccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001298489882 1323548619 /nfs/dbraw/zinc/54/86/19/1323548619.db2.gz KOHVCXSIXPAPAH-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO Cc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492186938 1324371808 /nfs/dbraw/zinc/37/18/08/1324371808.db2.gz PYLZTXDOBYLLTI-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001302477268 1324578819 /nfs/dbraw/zinc/57/88/19/1324578819.db2.gz QPLAPRNIWTUKEN-AWEZNQCLSA-N 1 0 334.420 2.650 10 5 EFBERO C[N@H+](CCCNC(=O)C1(F)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001316833148 1324618173 /nfs/dbraw/zinc/61/81/73/1324618173.db2.gz AVYQRQFOHSKKPM-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO C[N@H+](CCCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001316847571 1324688356 /nfs/dbraw/zinc/68/83/56/1324688356.db2.gz BSYQVZVYIQWIBH-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO COc1ccc2c(c1)C[C@H](CN1CCc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001307523878 1324771321 /nfs/dbraw/zinc/77/13/21/1324771321.db2.gz QRMAUXQLRUIGGG-GOSISDBHSA-N 1 0 340.379 2.965 10 5 EFBERO C[C@@H]1[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC001307632497 1324774045 /nfs/dbraw/zinc/77/40/45/1324774045.db2.gz XFJYROFNNYSUKW-MNOVXSKESA-N 1 0 342.237 2.882 10 5 EFBERO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)c(F)c1 ZINC001307645145 1324776067 /nfs/dbraw/zinc/77/60/67/1324776067.db2.gz WDPJDTJQFCANKL-INIZCTEOSA-N 1 0 333.363 2.945 10 5 EFBERO CS[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC001307662762 1324776240 /nfs/dbraw/zinc/77/62/40/1324776240.db2.gz WPLUZYGNANQKKA-SJORKVTESA-N 1 0 335.473 2.915 10 5 EFBERO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307689125 1324776513 /nfs/dbraw/zinc/77/65/13/1324776513.db2.gz VKNVJPNXXSKSRJ-TYNCELHUSA-N 1 0 346.387 2.626 10 5 EFBERO O=C(CC[NH+]1CCC(c2ncco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001307991031 1324788391 /nfs/dbraw/zinc/78/83/91/1324788391.db2.gz YZQWUERVNVUQHA-UHFFFAOYSA-N 1 0 344.371 2.791 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308120426 1324794508 /nfs/dbraw/zinc/79/45/08/1324794508.db2.gz JPDQDIRZNAZUGH-QAPCUYQASA-N 1 0 333.432 2.766 10 5 EFBERO CC(C)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001313401488 1325014585 /nfs/dbraw/zinc/01/45/85/1325014585.db2.gz WVMOOPLELHHOHW-UHFFFAOYSA-N 1 0 348.447 2.861 10 5 EFBERO Cc1sccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317442602 1328030645 /nfs/dbraw/zinc/03/06/45/1328030645.db2.gz BPDMJWPUKMVTRP-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO C[N@H+](CCNC(=O)CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317470756 1328057703 /nfs/dbraw/zinc/05/77/03/1328057703.db2.gz VKSNSVXDHUGKRL-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO Cc1occc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317547542 1328133180 /nfs/dbraw/zinc/13/31/80/1328133180.db2.gz HVNPGBVUSPQLJM-UHFFFAOYSA-N 1 0 343.383 2.891 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccs1 ZINC001322382852 1329454446 /nfs/dbraw/zinc/45/44/46/1329454446.db2.gz BTOPAWYVGHQNFU-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC001323384713 1329539958 /nfs/dbraw/zinc/53/99/58/1329539958.db2.gz HJTVTDCURQHERC-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO CC(C)(C)/C=C\C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323405922 1329541221 /nfs/dbraw/zinc/54/12/21/1329541221.db2.gz MKMLRSOEUQUYQZ-HJWRWDBZSA-N 1 0 331.416 2.936 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001327212171 1330442702 /nfs/dbraw/zinc/44/27/02/1330442702.db2.gz CGXUUNHMWQTRTR-UHFFFAOYSA-N 1 0 330.388 2.517 10 5 EFBERO CN(CCC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327212467 1330443190 /nfs/dbraw/zinc/44/31/90/1330443190.db2.gz ICEYLKCMXYSCHH-HZPDHXFCSA-N 1 0 339.480 2.648 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001328103212 1330557074 /nfs/dbraw/zinc/55/70/74/1330557074.db2.gz LEYGGINEPMAYOB-NZEXEKPDSA-N 1 0 326.347 2.908 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001332207311 1330941495 /nfs/dbraw/zinc/94/14/95/1330941495.db2.gz POONZJROWQFIGC-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001332818529 1331032001 /nfs/dbraw/zinc/03/20/01/1331032001.db2.gz HHUAHMRHKDKPQJ-CYBMUJFWSA-N 1 0 337.395 2.657 10 5 EFBERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001333027833 1331068772 /nfs/dbraw/zinc/06/87/72/1331068772.db2.gz AXQMZQDMHGFGRD-NOZJJQNGSA-N 1 0 329.194 2.872 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC001335771953 1331400767 /nfs/dbraw/zinc/40/07/67/1331400767.db2.gz PQIYEMPGEWPKAA-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001335941886 1331418780 /nfs/dbraw/zinc/41/87/80/1331418780.db2.gz KTRCKGVLAGKJKN-BXKDBHETSA-N 1 0 329.194 2.872 10 5 EFBERO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110375 1332600047 /nfs/dbraw/zinc/60/00/47/1332600047.db2.gz PXMFCBATMMNYQJ-SJORKVTESA-N 1 0 334.347 2.745 10 5 EFBERO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001347352991 1332736954 /nfs/dbraw/zinc/73/69/54/1332736954.db2.gz SYGDSKHVQUBHFL-UHFFFAOYSA-N 1 0 349.456 2.923 10 5 EFBERO C[C@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347531137 1332753344 /nfs/dbraw/zinc/75/33/44/1332753344.db2.gz RCODYDOVASYDLR-QPSCCSFWSA-N 1 0 331.416 2.892 10 5 EFBERO COc1ccc(NC(=O)N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001347536979 1332753558 /nfs/dbraw/zinc/75/35/58/1332753558.db2.gz YEYKTDAMEYNZKQ-UHFFFAOYSA-N 1 0 348.403 2.696 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001348127773 1332801845 /nfs/dbraw/zinc/80/18/45/1332801845.db2.gz RNQADTQCZODIPH-YXAMBPQSSA-N 1 0 349.456 2.532 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001348349453 1332827616 /nfs/dbraw/zinc/82/76/16/1332827616.db2.gz QHTRKAINPKEEHY-ZDUSSCGKSA-N 1 0 347.415 2.692 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001348901670 1332882262 /nfs/dbraw/zinc/88/22/62/1332882262.db2.gz XTZHYMKLOLXPGB-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001350084568 1333033305 /nfs/dbraw/zinc/03/33/05/1333033305.db2.gz DZPNSRTYNCXSSU-AEFFLSMTSA-N 1 0 343.427 2.789 10 5 EFBERO C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1[C@H](C)CC[C@H]1C ZINC001350800920 1333135380 /nfs/dbraw/zinc/13/53/80/1333135380.db2.gz DINXOBOKGAYNKH-GMTAPVOTSA-N 1 0 341.358 2.751 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC001351222438 1333196963 /nfs/dbraw/zinc/19/69/63/1333196963.db2.gz BLFNCQPVGDEVJV-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO C[C@H]1CCC[N@H+](CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001351261711 1333203046 /nfs/dbraw/zinc/20/30/46/1333203046.db2.gz SPBCVFRNOISTAC-ZDUSSCGKSA-N 1 0 337.395 2.515 10 5 EFBERO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)CCc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001352188958 1333419537 /nfs/dbraw/zinc/41/95/37/1333419537.db2.gz HSAPJTCNYNWJAI-PVAVHDDUSA-N 1 0 345.443 2.716 10 5 EFBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Br ZINC001354870999 1334565924 /nfs/dbraw/zinc/56/59/24/1334565924.db2.gz PRERCHPSHXNJKQ-BETUJISGSA-N 1 0 340.221 2.636 10 5 EFBERO CC(C)[C@@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475709 1334735086 /nfs/dbraw/zinc/73/50/86/1334735086.db2.gz STEKXDMPUPUAQV-IRXDYDNUSA-N 1 0 331.416 2.989 10 5 EFBERO C[N@H+](CC1CCCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848476524 1334736421 /nfs/dbraw/zinc/73/64/21/1334736421.db2.gz ANQYWTNVWJJNSB-QGZVFWFLSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848484813 1334741501 /nfs/dbraw/zinc/74/15/01/1334741501.db2.gz FEPFPWYOEGTKDP-XJKSGUPXSA-N 1 0 349.456 2.696 10 5 EFBERO C[C@H]1CCSCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485848 1334742431 /nfs/dbraw/zinc/74/24/31/1334742431.db2.gz YWNIFGQQPUEMAI-BBRMVZONSA-N 1 0 349.456 2.696 10 5 EFBERO Cn1c(Cl)ncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000848546598 1334788131 /nfs/dbraw/zinc/78/81/31/1334788131.db2.gz CGPPTZIIAGGGGB-UHFFFAOYSA-N 1 0 329.187 2.967 10 5 EFBERO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561601 1334796152 /nfs/dbraw/zinc/79/61/52/1334796152.db2.gz AEMGMFKMPPUMRR-RWMBFGLXSA-N 1 0 341.839 2.836 10 5 EFBERO O=C1O[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570536 1334799276 /nfs/dbraw/zinc/79/92/76/1334799276.db2.gz MAHNWYFUHTWVBU-ZBFHGGJFSA-N 1 0 331.372 2.545 10 5 EFBERO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000848578413 1334805196 /nfs/dbraw/zinc/80/51/96/1334805196.db2.gz CSGRUECFJWAYGX-UHFFFAOYSA-N 1 0 344.367 2.609 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000848755450 1334877052 /nfs/dbraw/zinc/87/70/52/1334877052.db2.gz QZQUKJLNWYQFJC-HMDMIVDLSA-N 1 0 333.388 2.533 10 5 EFBERO CCC(O)(CC)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473737110 1335496750 /nfs/dbraw/zinc/49/67/50/1335496750.db2.gz VIQXUZCSPNZSKL-UHFFFAOYSA-N 1 0 337.420 2.843 10 5 EFBERO C[NH+](C)[C@@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001450775741 1392745318 /nfs/dbraw/zinc/74/53/18/1392745318.db2.gz TXWCYQJANYUTSH-HNNXBMFYSA-N 1 0 328.372 2.809 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456758583 1394794345 /nfs/dbraw/zinc/79/43/45/1394794345.db2.gz LTDGSFRUKTUNML-DOTOQJQBSA-N 1 0 345.443 2.622 10 5 EFBERO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC001457529986 1395188449 /nfs/dbraw/zinc/18/84/49/1395188449.db2.gz AKFAOJFOJQCJTO-GFCCVEGCSA-N 1 0 342.399 2.544 10 5 EFBERO CC[N@@H+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC001458264615 1395433829 /nfs/dbraw/zinc/43/38/29/1395433829.db2.gz OGGLUWMYNHZBDF-LLVKDONJSA-N 1 0 345.359 2.582 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001458457850 1395473415 /nfs/dbraw/zinc/47/34/15/1395473415.db2.gz XUJZGENYEFOQSG-LRDXNBAQSA-N 1 0 347.415 2.922 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001458463420 1395474818 /nfs/dbraw/zinc/47/48/18/1395474818.db2.gz UDTIEAOMDGKATR-KLPPZKSPSA-N 1 0 334.807 2.970 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458721539 1395563236 /nfs/dbraw/zinc/56/32/36/1395563236.db2.gz WPXXGRXMOXGOLN-LBPRGKRZSA-N 1 0 345.359 2.582 10 5 EFBERO CC(C)[N@@H+]1CCCC[C@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001459282516 1395785982 /nfs/dbraw/zinc/78/59/82/1395785982.db2.gz KPXWJVCQRHGTNH-ZDUSSCGKSA-N 1 0 330.392 2.511 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC001459791229 1395983622 /nfs/dbraw/zinc/98/36/22/1395983622.db2.gz JPLGMUPXRFPRQX-MNOVXSKESA-N 1 0 343.305 2.650 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H](CCO)CC2)o1 ZINC001460260057 1396016869 /nfs/dbraw/zinc/01/68/69/1396016869.db2.gz YAPCLHKCNMDYMU-ZDUSSCGKSA-N 1 0 346.387 2.629 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460343461 1396027712 /nfs/dbraw/zinc/02/77/12/1396027712.db2.gz YWXFZJIQCHQBOR-WCQYABFASA-N 1 0 334.376 2.532 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460343464 1396028248 /nfs/dbraw/zinc/02/82/48/1396028248.db2.gz YWXFZJIQCHQBOR-YPMHNXCESA-N 1 0 334.376 2.532 10 5 EFBERO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460776240 1396253926 /nfs/dbraw/zinc/25/39/26/1396253926.db2.gz DFZMZHGGOSXDGD-CYBMUJFWSA-N 1 0 330.388 2.781 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001466056486 1396734034 /nfs/dbraw/zinc/73/40/34/1396734034.db2.gz MCPQMJUVCWXWJT-DGCLKSJQSA-N 1 0 339.823 2.985 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001470108226 1397074088 /nfs/dbraw/zinc/07/40/88/1397074088.db2.gz ZKXZAAMFOKXMHB-ZDUSSCGKSA-N 1 0 337.395 2.893 10 5 EFBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001471236704 1397152814 /nfs/dbraw/zinc/15/28/14/1397152814.db2.gz WDOUSUOVAPPUBQ-OAHLLOKOSA-N 1 0 346.431 2.704 10 5 EFBERO C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001471464193 1397174507 /nfs/dbraw/zinc/17/45/07/1397174507.db2.gz HGYSPSRIBQNWNM-CQSZACIVSA-N 1 0 348.447 2.729 10 5 EFBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001472025940 1397235926 /nfs/dbraw/zinc/23/59/26/1397235926.db2.gz ITDKOELXLHWTCL-GFCCVEGCSA-N 1 0 345.321 2.684 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001473226140 1397290984 /nfs/dbraw/zinc/29/09/84/1397290984.db2.gz MRMFVBITXPUBEQ-UHFFFAOYSA-N 1 0 343.427 2.933 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479280476 1397664903 /nfs/dbraw/zinc/66/49/03/1397664903.db2.gz HQMPPQJJSJKDDU-LPGRJVILSA-N 1 0 343.427 2.936 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479353475 1397701787 /nfs/dbraw/zinc/70/17/87/1397701787.db2.gz HQMPPQJJSJKDDU-QNQREIATSA-N 1 0 343.427 2.936 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479360367 1397703518 /nfs/dbraw/zinc/70/35/18/1397703518.db2.gz NVHLOSABBABPGT-WKILWMFISA-N 1 0 329.400 2.690 10 5 EFBERO CC(C)[C@H]1CN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001479445822 1397727805 /nfs/dbraw/zinc/72/78/05/1397727805.db2.gz JHACVJNRMAKVED-WMLDXEAASA-N 1 0 348.447 2.680 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cc(C)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479836942 1397932897 /nfs/dbraw/zinc/93/28/97/1397932897.db2.gz LRTBTVMANUXSBH-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=C(C(F)F)N1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001495392669 1399938240 /nfs/dbraw/zinc/93/82/40/1399938240.db2.gz AJQJJTGGPAGODZ-UHFFFAOYSA-N 1 0 347.387 2.640 10 5 EFBERO Cc1nscc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496689441 1400922481 /nfs/dbraw/zinc/92/24/81/1400922481.db2.gz QBVKITOYCDJKEE-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)sn1 ZINC001497376529 1401336885 /nfs/dbraw/zinc/33/68/85/1401336885.db2.gz FNINFXLGGSRTMA-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO Cc1coc(C)c1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497569047 1401462981 /nfs/dbraw/zinc/46/29/81/1401462981.db2.gz OOBVQSVMQFWFAC-ONEGZZNKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001497674582 1401541147 /nfs/dbraw/zinc/54/11/47/1401541147.db2.gz VTKSOYCMZRVTFI-UPHRSURJSA-N 1 0 348.790 2.652 10 5 EFBERO CC(C)c1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192994 1404075113 /nfs/dbraw/zinc/07/51/13/1404075113.db2.gz MYFRSSXXCSLDKK-QZTJIDSGSA-N 1 0 347.459 2.756 10 5 EFBERO CC(C)[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001546325112 1412878325 /nfs/dbraw/zinc/87/83/25/1412878325.db2.gz KNYYSCUOZHHFMU-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)n1 ZINC001556070937 1415050929 /nfs/dbraw/zinc/05/09/29/1415050929.db2.gz VFVYMDINHVHVQQ-UHFFFAOYSA-N 1 0 341.371 2.542 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001557170297 1415110051 /nfs/dbraw/zinc/11/00/51/1415110051.db2.gz AEXLWCKSSVEVIM-UHFFFAOYSA-N 1 0 325.328 2.845 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 ZINC001558503437 1415183810 /nfs/dbraw/zinc/18/38/10/1415183810.db2.gz JZOHASOFAXQJHQ-SFHVURJKSA-N 1 0 349.434 2.751 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558767019 1415200223 /nfs/dbraw/zinc/20/02/23/1415200223.db2.gz FFGJEEANPXFIDT-ZIAGYGMSSA-N 1 0 337.445 2.991 10 5 EFBERO Nc1cc(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)cc[nH+]1 ZINC001558884827 1415209580 /nfs/dbraw/zinc/20/95/80/1415209580.db2.gz JNPCPRZRNPCOPR-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC001559075633 1415222736 /nfs/dbraw/zinc/22/27/36/1415222736.db2.gz OYFHQSDDBJRTLN-UHFFFAOYSA-N 1 0 342.399 2.684 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCCC1(C)C ZINC001559210123 1415230306 /nfs/dbraw/zinc/23/03/06/1415230306.db2.gz CHPZNWCMTGFINC-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC001559280777 1415236277 /nfs/dbraw/zinc/23/62/77/1415236277.db2.gz TWPSFXGCUGDMFM-LBPRGKRZSA-N 1 0 329.404 2.924 10 5 EFBERO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC001559280776 1415236390 /nfs/dbraw/zinc/23/63/90/1415236390.db2.gz TWPSFXGCUGDMFM-GFCCVEGCSA-N 1 0 329.404 2.924 10 5 EFBERO C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC001559967878 1415260023 /nfs/dbraw/zinc/26/00/23/1415260023.db2.gz NNBKVMZNUQRYAG-QGZVFWFLSA-N 1 0 341.411 2.659 10 5 EFBERO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001560132145 1415264400 /nfs/dbraw/zinc/26/44/00/1415264400.db2.gz RQNNXGSXQBRFTQ-GFCCVEGCSA-N 1 0 329.356 2.893 10 5 EFBERO CCOc1cc(C[N@@H+]2CC[C@H](c3cnccn3)C2)ccc1[N+](=O)[O-] ZINC001560176745 1415265913 /nfs/dbraw/zinc/26/59/13/1415265913.db2.gz GLJPSWAMPDPXMR-AWEZNQCLSA-N 1 0 328.372 2.773 10 5 EFBERO CCOc1cc(C[NH2+]C2(CC(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC001560211002 1415267037 /nfs/dbraw/zinc/26/70/37/1415267037.db2.gz SEYAGNQUFCXYAS-UHFFFAOYSA-N 1 0 335.404 2.661 10 5 EFBERO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001565214191 1415391663 /nfs/dbraw/zinc/39/16/63/1415391663.db2.gz NKIQKCRLBNBFKS-UHFFFAOYSA-N 1 0 348.447 2.919 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001565850465 1415432966 /nfs/dbraw/zinc/43/29/66/1415432966.db2.gz LXVKHJBRCQARAF-GASCZTMLSA-N 1 0 331.416 2.769 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001566170212 1415533147 /nfs/dbraw/zinc/53/31/47/1415533147.db2.gz OCYDCPAVDJOTIY-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001566267127 1415537620 /nfs/dbraw/zinc/53/76/20/1415537620.db2.gz OYZYDIHIGRWXSE-GDBMZVCRSA-N 1 0 331.416 2.600 10 5 EFBERO Cc1cncc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001566442090 1415547624 /nfs/dbraw/zinc/54/76/24/1415547624.db2.gz OVXVNUNOJPTABH-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566553307 1415637704 /nfs/dbraw/zinc/63/77/04/1415637704.db2.gz ZIZZONSCJIXWIU-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC001567435172 1416137011 /nfs/dbraw/zinc/13/70/11/1416137011.db2.gz DXAOZIMUEXCSAE-UHFFFAOYSA-N 1 0 329.356 2.582 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001567480039 1416154217 /nfs/dbraw/zinc/15/42/17/1416154217.db2.gz BWIWLCBDBOLUKZ-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1F ZINC001567489097 1416157906 /nfs/dbraw/zinc/15/79/06/1416157906.db2.gz CSPDQQOVTRRRHS-UHFFFAOYSA-N 1 0 337.376 2.657 10 5 EFBERO Cc1coc(C)c1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001567489143 1416158260 /nfs/dbraw/zinc/15/82/60/1416158260.db2.gz COPOYMXRDWUWLU-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO Cc1csc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001567492294 1416159291 /nfs/dbraw/zinc/15/92/91/1416159291.db2.gz PKXBHNJWYOZHCV-UHFFFAOYSA-N 1 0 339.442 2.888 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1Cl ZINC001567564933 1416189165 /nfs/dbraw/zinc/18/91/65/1416189165.db2.gz INNBYLFQWHCAAB-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO CO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001646084913 1416610996 /nfs/dbraw/zinc/61/09/96/1416610996.db2.gz ILAWHOMPRUFCEN-KBPBESRZSA-N 1 0 344.371 2.692 10 5 EFBERO CC[C@H](NC(=O)N1CC[N@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001685996856 1416785431 /nfs/dbraw/zinc/78/54/31/1416785431.db2.gz ZODPEIWJARHHOH-BBRMVZONSA-N 1 0 334.420 2.782 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ocnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001689925684 1417095883 /nfs/dbraw/zinc/09/58/83/1417095883.db2.gz XEOJTKXXVIDBMC-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCC(=CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)CC ZINC001690511454 1417219999 /nfs/dbraw/zinc/21/99/99/1417219999.db2.gz BLLMMCFMIANEEO-MNZLEMJZSA-N 1 0 343.427 2.888 10 5 EFBERO O=C(CC1CC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001698794314 1417334788 /nfs/dbraw/zinc/33/47/88/1417334788.db2.gz VZQROKMOQBDYCX-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO C[N@H+](CCCNC(=O)C(C)(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001712965984 1418303776 /nfs/dbraw/zinc/30/37/76/1418303776.db2.gz OGPFKHVETDOCGE-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cocc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001712965335 1418305071 /nfs/dbraw/zinc/30/50/71/1418305071.db2.gz RXKIDMMZUWGMPU-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(CCc1ccco1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001713154220 1418341511 /nfs/dbraw/zinc/34/15/11/1418341511.db2.gz HSIOKBNHHUXLGS-JOCQHMNTSA-N 1 0 349.412 2.619 10 5 EFBERO Cc1cccc(CC(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001714753036 1418624682 /nfs/dbraw/zinc/62/46/82/1418624682.db2.gz JVNFIJBTRQVGRR-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001716265751 1418747977 /nfs/dbraw/zinc/74/79/77/1418747977.db2.gz PNVOJMXGKLAQAO-UPHRSURJSA-N 1 0 331.397 2.732 10 5 EFBERO CCn1cccc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001716586102 1418918251 /nfs/dbraw/zinc/91/82/51/1418918251.db2.gz XHLSSVFPGCCLSL-UHFFFAOYSA-N 1 0 344.415 2.668 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C12CCC(CC1)C2 ZINC001716685735 1418958079 /nfs/dbraw/zinc/95/80/79/1418958079.db2.gz LKCBZJVTCVACRE-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001717453702 1419400888 /nfs/dbraw/zinc/40/08/88/1419400888.db2.gz ZHICSUBFPSXIGG-UHFFFAOYSA-N 1 0 344.415 2.811 10 5 EFBERO Cc1cocc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001723095285 1424422237 /nfs/dbraw/zinc/42/22/37/1424422237.db2.gz AVUWUASBWVPNIO-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(C)(F)F ZINC001723116312 1424429260 /nfs/dbraw/zinc/42/92/60/1424429260.db2.gz PJFDNHPQGKFENQ-UHFFFAOYSA-N 1 0 335.376 2.640 10 5 EFBERO O=C(CCc1ccoc1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001723507214 1424515149 /nfs/dbraw/zinc/51/51/49/1424515149.db2.gz DSJQARAMAUXIBL-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO Cc1[nH]ccc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001724783288 1425010770 /nfs/dbraw/zinc/01/07/70/1425010770.db2.gz NCKNZFSMMYXUIQ-UHFFFAOYSA-N 1 0 342.399 2.674 10 5 EFBERO CCCCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001724913071 1425128486 /nfs/dbraw/zinc/12/84/86/1425128486.db2.gz YKKORVRNIGKUKR-UHFFFAOYSA-N 1 0 349.431 2.540 10 5 EFBERO CC1([NH2+]CCC2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724954571 1425162698 /nfs/dbraw/zinc/16/26/98/1425162698.db2.gz OLJGZZXUMVRRCZ-HZPDHXFCSA-N 1 0 337.464 2.593 10 5 EFBERO CN(CC(C)(C)C[NH2+]CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725140379 1425329044 /nfs/dbraw/zinc/32/90/44/1425329044.db2.gz QSVDOEOFLCVWPO-HZPDHXFCSA-N 1 0 339.480 2.696 10 5 EFBERO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000926010087 713463588 /nfs/dbraw/zinc/46/35/88/713463588.db2.gz BGKRZNLJEOKEPG-NSHDSACASA-N 1 0 326.784 2.854 10 5 EFBERO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000235668837 718004783 /nfs/dbraw/zinc/00/47/83/718004783.db2.gz KMQYZACFZRUWMT-GWCFXTLKSA-N 1 0 342.237 2.739 10 5 EFBERO CC[C@H](NC(=O)NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000893449881 715526481 /nfs/dbraw/zinc/52/64/81/715526481.db2.gz KBHAGSFAWMSATR-CJNGLKHVSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000925762989 717350241 /nfs/dbraw/zinc/35/02/41/717350241.db2.gz PTJOXLHUIDUNDN-GXFFZTMASA-N 1 0 342.237 2.978 10 5 EFBERO C[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925246732 724484881 /nfs/dbraw/zinc/48/48/81/724484881.db2.gz GSQRRUGTVDRMDE-CYBMUJFWSA-N 1 0 334.420 2.782 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000311929334 719235941 /nfs/dbraw/zinc/23/59/41/719235941.db2.gz DANAYASXMJXBSO-ZDUSSCGKSA-N 1 0 326.194 2.547 10 5 EFBERO C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925855567 719851898 /nfs/dbraw/zinc/85/18/98/719851898.db2.gz PEFAXEVCTQPGFJ-TVQRCGJNSA-N 1 0 332.326 2.512 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261799245 721378021 /nfs/dbraw/zinc/37/80/21/721378021.db2.gz QSTJLAQHVDBITM-MRXNPFEDSA-N 1 0 332.791 2.790 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c(Cl)c1 ZINC000261900970 721949369 /nfs/dbraw/zinc/94/93/69/721949369.db2.gz WRQWMHBLHNVQER-INIZCTEOSA-N 1 0 332.791 2.790 10 5 EFBERO CCc1[nH]c(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000894298768 722000010 /nfs/dbraw/zinc/00/00/10/722000010.db2.gz LZVBMNLMCMGAMZ-UHFFFAOYSA-N 1 0 331.372 2.604 10 5 EFBERO COCc1ncc2c(n1)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000895415144 724124165 /nfs/dbraw/zinc/12/41/65/724124165.db2.gz LOQPSDZDKONNCK-XQRVVYSFSA-N 1 0 340.383 2.603 10 5 EFBERO CC(C)(C)OC1CC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000341627192 724200736 /nfs/dbraw/zinc/20/07/36/724200736.db2.gz PROXSIKGXGITGA-GRTSSRMGSA-N 1 0 334.420 2.822 10 5 EFBERO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)OCCc2ccccc21 ZINC000895638396 724237701 /nfs/dbraw/zinc/23/77/01/724237701.db2.gz FLKIJGFKXDYOPJ-JTTJXQCZSA-N 1 0 342.399 2.573 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CCCn4nncc4C3)o2)cc1 ZINC000895757717 724300810 /nfs/dbraw/zinc/30/08/10/724300810.db2.gz XUXPRIKIRIRCEM-UHFFFAOYSA-N 1 0 339.355 2.852 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1(C)C ZINC000913722216 725832670 /nfs/dbraw/zinc/83/26/70/725832670.db2.gz IVMQKUQSLFBLHE-UHFFFAOYSA-N 1 0 343.786 2.944 10 5 EFBERO C[C@H]1CC[N@H+](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906872665 726808879 /nfs/dbraw/zinc/80/88/79/726808879.db2.gz OJWHIDMABCQFBJ-LBPRGKRZSA-N 1 0 339.823 2.639 10 5 EFBERO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000907193784 726890457 /nfs/dbraw/zinc/89/04/57/726890457.db2.gz WBAJKNGQLLXYGE-NEPJUHHUSA-N 1 0 339.823 2.732 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000741491315 726910980 /nfs/dbraw/zinc/91/09/80/726910980.db2.gz ONIAVSAMSKDLHQ-DOMZBBRYSA-N 1 0 336.461 2.954 10 5 EFBERO CC(C)(NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccccc1[N+](=O)[O-] ZINC000908360148 727169161 /nfs/dbraw/zinc/16/91/61/727169161.db2.gz OQGSFUVYKFUSBE-BBRMVZONSA-N 1 0 331.416 2.963 10 5 EFBERO CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000912308343 727693422 /nfs/dbraw/zinc/69/34/22/727693422.db2.gz XKRUBHZMVCRABI-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@@H]1CCCN(c2ccc(C(=O)OCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000912594182 727727757 /nfs/dbraw/zinc/72/77/57/727727757.db2.gz NEQMFFRZCJHUKQ-CQSZACIVSA-N 1 0 349.431 2.940 10 5 EFBERO CSc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912883728 727756630 /nfs/dbraw/zinc/75/66/30/727756630.db2.gz PXAIMLAZINJVAL-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000917073694 727764720 /nfs/dbraw/zinc/76/47/20/727764720.db2.gz OOAJVPIWUWIGLL-ICFKLAHKSA-N 1 0 345.399 2.820 10 5 EFBERO C/C(=C/C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913281807 727814909 /nfs/dbraw/zinc/81/49/09/727814909.db2.gz SUBSOLLFTMOHOM-NPKYINPLSA-N 1 0 343.427 2.798 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000913401571 727832625 /nfs/dbraw/zinc/83/26/25/727832625.db2.gz UKCVJBUVIGJGIT-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000913394622 727834013 /nfs/dbraw/zinc/83/40/13/727834013.db2.gz ZWTVCGWLPGEQDI-GFCCVEGCSA-N 1 0 337.395 2.780 10 5 EFBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000172179135 728572738 /nfs/dbraw/zinc/57/27/38/728572738.db2.gz YBBQBCOLENTVNK-OCCSQVGLSA-N 1 0 341.839 2.525 10 5 EFBERO Cc1ccoc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569391624 1085172160 /nfs/dbraw/zinc/17/21/60/1085172160.db2.gz PFQHMWZMGGPJAX-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO O=C(CCc1ccoc1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569394647 1085176738 /nfs/dbraw/zinc/17/67/38/1085176738.db2.gz NJRIEWCPQHMUBY-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccoc1 ZINC001570098140 1085946258 /nfs/dbraw/zinc/94/62/58/1085946258.db2.gz RUJKHEQLWOLZFX-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccn1 ZINC001570188961 1086039270 /nfs/dbraw/zinc/03/92/70/1086039270.db2.gz GXTBOAYSHBGKLA-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001570619865 1086412702 /nfs/dbraw/zinc/41/27/02/1086412702.db2.gz VBXJNYLWPVRGTQ-JKSUJKDBSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001570619442 1086413198 /nfs/dbraw/zinc/41/31/98/1086413198.db2.gz PKQXPENSDLIDGN-LSDHHAIUSA-N 1 0 333.432 2.717 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001570619440 1086413250 /nfs/dbraw/zinc/41/32/50/1086413250.db2.gz PKQXPENSDLIDGN-GJZGRUSLSA-N 1 0 333.432 2.717 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC001647837457 1089892994 /nfs/dbraw/zinc/89/29/94/1089892994.db2.gz VHWBFUWAYVDBGY-HZPDHXFCSA-N 1 0 343.383 2.944 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001620493771 1090412054 /nfs/dbraw/zinc/41/20/54/1090412054.db2.gz IGQRVQJNZODFAD-ZACQAIPSSA-N 1 0 326.400 2.835 10 5 EFBERO C[C@@]12CSC[C@@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC001620647202 1091097553 /nfs/dbraw/zinc/09/75/53/1091097553.db2.gz HLOJPFULRDYQFE-BLLLJJGKSA-N 1 0 346.412 2.830 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001648634703 1092242455 /nfs/dbraw/zinc/24/24/55/1092242455.db2.gz JIODEFFRSJFTGP-MOPGFXCFSA-N 1 0 342.395 2.612 10 5 EFBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001648646142 1092242837 /nfs/dbraw/zinc/24/28/37/1092242837.db2.gz XKJWMRLOZHEVNL-ZSHCYNCHSA-N 1 0 347.415 2.892 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650106 1092245787 /nfs/dbraw/zinc/24/57/87/1092245787.db2.gz UFMNERPAAFIJMG-QWHCGFSZSA-N 1 0 337.445 2.991 10 5 EFBERO C/C(=C/C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785108767 1092494147 /nfs/dbraw/zinc/49/41/47/1092494147.db2.gz WCBUTZXHVJATET-SEYXRHQNSA-N 1 0 329.400 2.741 10 5 EFBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001670741388 1092755682 /nfs/dbraw/zinc/75/56/82/1092755682.db2.gz AVQAGDNUIMBQNQ-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001650801155 1093495312 /nfs/dbraw/zinc/49/53/12/1093495312.db2.gz IVNGOMLUJDAFHK-OLZOCXBDSA-N 1 0 335.404 2.975 10 5 EFBERO COCCC[N@H+](C)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001650806510 1093495664 /nfs/dbraw/zinc/49/56/64/1093495664.db2.gz YHAGFWOVKCUASA-UHFFFAOYSA-N 1 0 335.326 2.994 10 5 EFBERO CSc1cccc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001595439525 1094468295 /nfs/dbraw/zinc/46/82/95/1094468295.db2.gz WGOZALKFJLXJDU-LBPRGKRZSA-N 1 0 337.445 2.731 10 5 EFBERO C[NH+](C)CC[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001595447559 1094469963 /nfs/dbraw/zinc/46/99/63/1094469963.db2.gz NGHBVRRRQCJDHZ-OAHLLOKOSA-N 1 0 345.443 2.817 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC001267398597 1094482488 /nfs/dbraw/zinc/48/24/88/1094482488.db2.gz RHBGWOBYVWAUIB-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CCC2)C1 ZINC001267416920 1094494897 /nfs/dbraw/zinc/49/48/97/1094494897.db2.gz ITGDISVJBKFMJD-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO COc1ccsc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001267458519 1094567485 /nfs/dbraw/zinc/56/74/85/1094567485.db2.gz QSBARMQRAHNHMP-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1Br ZINC000690774833 1094571829 /nfs/dbraw/zinc/57/18/29/1094571829.db2.gz NQRPYXQYCUWBIN-RYUDHWBXSA-N 1 0 341.205 2.826 10 5 EFBERO CCC[N@H+](CCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001481128417 1094858095 /nfs/dbraw/zinc/85/80/95/1094858095.db2.gz PIDGNTVSUDDEFU-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C/c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480972030 1095628018 /nfs/dbraw/zinc/62/80/18/1095628018.db2.gz ZLQNWOLRNLRZQK-JXMROGBWSA-N 1 0 342.399 2.574 10 5 EFBERO CC/C=C(\C)C(=O)N(CC)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001268441090 1096599374 /nfs/dbraw/zinc/59/93/74/1096599374.db2.gz ZALYXYTZQGCGFQ-WUXMJOGZSA-N 1 0 325.434 2.951 10 5 EFBERO CCc1occc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268536460 1097143108 /nfs/dbraw/zinc/14/31/08/1097143108.db2.gz MABVXAQXEOOZRI-ONEGZZNKSA-N 1 0 343.383 2.826 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC(C)(C)C1 ZINC001268790007 1097637720 /nfs/dbraw/zinc/63/77/20/1097637720.db2.gz IUCVGJFCUNHYDI-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1C=CC=CC=C1 ZINC001269420000 1098124676 /nfs/dbraw/zinc/12/46/76/1098124676.db2.gz OROFOUCLXOOEQP-UHFFFAOYSA-N 1 0 339.395 2.632 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1CCC1 ZINC001269520742 1098207473 /nfs/dbraw/zinc/20/74/73/1098207473.db2.gz VJMDLSMIHWDBLU-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO COCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269965026 1098549341 /nfs/dbraw/zinc/54/93/41/1098549341.db2.gz FMTAXCFBNFJJHY-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001610922589 1098963362 /nfs/dbraw/zinc/96/33/62/1098963362.db2.gz FIOAWBZJJYWHQI-WDEREUQCSA-N 1 0 331.376 2.530 10 5 EFBERO COC(=O)Cc1ccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001611794050 1099033032 /nfs/dbraw/zinc/03/30/32/1099033032.db2.gz LPDFVFDYHVLHRX-ZIAGYGMSSA-N 1 0 349.431 2.843 10 5 EFBERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001611860555 1099034981 /nfs/dbraw/zinc/03/49/81/1099034981.db2.gz GPXBIHFRYCDHGX-VHSXEESVSA-N 1 0 349.357 2.879 10 5 EFBERO C[NH+](C)[C@@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001611940050 1099037959 /nfs/dbraw/zinc/03/79/59/1099037959.db2.gz XHFJPRVXYXDBMT-AWEZNQCLSA-N 1 0 334.807 2.970 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)[N@H+](C)C1CC1 ZINC001611932746 1099038024 /nfs/dbraw/zinc/03/80/24/1099038024.db2.gz OQLPXNZKUMEPPI-VIFPVBQESA-N 1 0 341.795 2.929 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)cc1OC(F)F ZINC001613060305 1099088560 /nfs/dbraw/zinc/08/85/60/1099088560.db2.gz NGKVBGOEJYBOLG-LLVKDONJSA-N 1 0 327.331 2.950 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001613027382 1099089377 /nfs/dbraw/zinc/08/93/77/1099089377.db2.gz WDYKYHJNTROTPJ-RCQQVGEISA-N 1 0 333.388 2.677 10 5 EFBERO C[N@H+](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC001616793277 1099193595 /nfs/dbraw/zinc/19/35/95/1099193595.db2.gz TXNAYQJMOASLTR-UHFFFAOYSA-N 1 0 339.823 2.781 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001481307940 1099203465 /nfs/dbraw/zinc/20/34/65/1099203465.db2.gz ULZBDJLEVRFACJ-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO C/C(=C/C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785266178 1099238532 /nfs/dbraw/zinc/23/85/32/1099238532.db2.gz KMQUUVSKTFRXGA-UZFBZYOGSA-N 1 0 331.416 2.846 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001617464638 1099241146 /nfs/dbraw/zinc/24/11/46/1099241146.db2.gz HZYSDWGGKKMSDV-MSOLQXFVSA-N 1 0 334.416 2.797 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001618612300 1099309023 /nfs/dbraw/zinc/30/90/23/1099309023.db2.gz LAPKFWPGMAQOOF-UHFFFAOYSA-N 1 0 337.807 2.559 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC001618816568 1099321905 /nfs/dbraw/zinc/32/19/05/1099321905.db2.gz RJXTWLNLZAFYSA-UHFFFAOYSA-N 1 0 334.420 2.683 10 5 EFBERO CC(C)c1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481270470 1099339186 /nfs/dbraw/zinc/33/91/86/1099339186.db2.gz WJIWMTDWGXPNAP-UHFFFAOYSA-N 1 0 344.415 2.908 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001620537796 1099357569 /nfs/dbraw/zinc/35/75/69/1099357569.db2.gz DZXWKHJDVAJKHS-ROUUACIJSA-N 1 0 339.395 2.937 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)co1 ZINC001670772423 1099530740 /nfs/dbraw/zinc/53/07/40/1099530740.db2.gz UBHARGXRGQGYDW-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001624566317 1099707446 /nfs/dbraw/zinc/70/74/46/1099707446.db2.gz MJDDSHWAMXDHEY-LLVKDONJSA-N 1 0 331.376 2.532 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001624760630 1099728064 /nfs/dbraw/zinc/72/80/64/1099728064.db2.gz AEKARDBQEAQUJV-OAHLLOKOSA-N 1 0 344.415 2.539 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001625590997 1099830594 /nfs/dbraw/zinc/83/05/94/1099830594.db2.gz RSTMXPHYSAVGEP-YPMHNXCESA-N 1 0 337.395 2.893 10 5 EFBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC001625652013 1099836573 /nfs/dbraw/zinc/83/65/73/1099836573.db2.gz RUBAKHSRVMZOJZ-SJCJKPOMSA-N 1 0 342.399 2.598 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001627285972 1099978103 /nfs/dbraw/zinc/97/81/03/1099978103.db2.gz WGFIWQLLDMHKQR-CHWSQXEVSA-N 1 0 341.358 2.532 10 5 EFBERO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001629442866 1100211829 /nfs/dbraw/zinc/21/18/29/1100211829.db2.gz DUXNWIDFNHZJTH-UHFFFAOYSA-N 1 0 331.347 2.726 10 5 EFBERO C[C@@H](CC[NH+](C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001630038005 1100270912 /nfs/dbraw/zinc/27/09/12/1100270912.db2.gz ISLLZFIWYUEJRZ-AWEZNQCLSA-N 1 0 349.431 2.552 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccco1 ZINC001631446766 1100398771 /nfs/dbraw/zinc/39/87/71/1100398771.db2.gz CHHLKNJQXVNZEC-HNNXBMFYSA-N 1 0 346.387 2.583 10 5 EFBERO Nc1ccc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1[N+](=O)[O-] ZINC001631878543 1100436023 /nfs/dbraw/zinc/43/60/23/1100436023.db2.gz AIEWFNYEHWUREJ-UHFFFAOYSA-N 1 0 349.350 2.990 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001632473875 1100476606 /nfs/dbraw/zinc/47/66/06/1100476606.db2.gz YWIXXJCVGUIHOS-AWEZNQCLSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001632477439 1100477617 /nfs/dbraw/zinc/47/76/17/1100477617.db2.gz LVWPFUNQWBSRBG-LLVKDONJSA-N 1 0 325.796 2.851 10 5 EFBERO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001635045604 1100641982 /nfs/dbraw/zinc/64/19/82/1100641982.db2.gz QFRPKDWYUQEGMW-UHFFFAOYSA-N 1 0 325.384 2.894 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC001635808981 1100681677 /nfs/dbraw/zinc/68/16/77/1100681677.db2.gz LIBPAIZWXGUSGR-OAHLLOKOSA-N 1 0 331.372 2.801 10 5 EFBERO O=C(Nc1ccc2c[nH+]cn2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001636204450 1100707311 /nfs/dbraw/zinc/70/73/11/1100707311.db2.gz WNUDQHBMMPJLML-UHFFFAOYSA-N 1 0 348.322 2.681 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(C)C ZINC001638770175 1100885401 /nfs/dbraw/zinc/88/54/01/1100885401.db2.gz QNMDBVNLBBBBTQ-HZPDHXFCSA-N 1 0 346.431 2.628 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001638769809 1100886077 /nfs/dbraw/zinc/88/60/77/1100886077.db2.gz NXFXFVJFRWOMRK-UONOGXRCSA-N 1 0 337.445 2.532 10 5 EFBERO COCC[N@@H+]1CC[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001639489453 1100954815 /nfs/dbraw/zinc/95/48/15/1100954815.db2.gz PUPUFBOINZJTMJ-NSHDSACASA-N 1 0 333.310 2.746 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001639798779 1100984445 /nfs/dbraw/zinc/98/44/45/1100984445.db2.gz YWHSDTLGTCBNHI-GJZGRUSLSA-N 1 0 337.395 2.511 10 5 EFBERO CCCN(CC[NH+]1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001639894175 1100993631 /nfs/dbraw/zinc/99/36/31/1100993631.db2.gz NXBZUDOMQUKGRF-UHFFFAOYSA-N 1 0 349.357 2.659 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001639983383 1101000195 /nfs/dbraw/zinc/00/01/95/1101000195.db2.gz YJMRTZXTVDXELX-SECBINFHSA-N 1 0 337.346 2.879 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCC[N@H+](C)C1 ZINC001640160784 1101018927 /nfs/dbraw/zinc/01/89/27/1101018927.db2.gz AIBSVXDPYJQYGV-CYBMUJFWSA-N 1 0 335.404 2.834 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001640447876 1101048119 /nfs/dbraw/zinc/04/81/19/1101048119.db2.gz DLRPITQISHVZDN-DLBZAZTESA-N 1 0 331.416 2.930 10 5 EFBERO CC1(C)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001640797136 1101079269 /nfs/dbraw/zinc/07/92/69/1101079269.db2.gz HYWDHBXHZUDDDN-UHFFFAOYSA-N 1 0 348.447 2.776 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC001643203395 1101279424 /nfs/dbraw/zinc/27/94/24/1101279424.db2.gz RXMRTYSTALCSII-PELKAZGASA-N 1 0 327.768 2.539 10 5 EFBERO Cc1cc(NC[C@H]2CCCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651490969 1101335590 /nfs/dbraw/zinc/33/55/90/1101335590.db2.gz XKSHZNREDBJSEU-MRXNPFEDSA-N 1 0 341.415 2.678 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651495126 1101338952 /nfs/dbraw/zinc/33/89/52/1101338952.db2.gz MKZCYNFHKCVQBU-ZDUSSCGKSA-N 1 0 346.431 2.835 10 5 EFBERO CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC001651659276 1101363360 /nfs/dbraw/zinc/36/33/60/1101363360.db2.gz HVAMPBGPCBGVBX-CQSZACIVSA-N 1 0 339.411 2.979 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC001652040887 1101424209 /nfs/dbraw/zinc/42/42/09/1101424209.db2.gz CBPJGUTWLXLEKV-HUUCEWRRSA-N 1 0 327.388 2.823 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC001652040885 1101425401 /nfs/dbraw/zinc/42/54/01/1101425401.db2.gz CBPJGUTWLXLEKV-CABCVRRESA-N 1 0 327.388 2.823 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001670667293 1101462299 /nfs/dbraw/zinc/46/22/99/1101462299.db2.gz FLDAEFNZORWGLY-QMCVQRASSA-N 1 0 346.431 2.685 10 5 EFBERO CCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001266620406 1101538329 /nfs/dbraw/zinc/53/83/29/1101538329.db2.gz VVPQLOOPLLZZCA-SHTZXODSSA-N 1 0 331.416 2.912 10 5 EFBERO CN(CC[N@H+](C)C1CC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001653328637 1101611210 /nfs/dbraw/zinc/61/12/10/1101611210.db2.gz SNBSSGXLPQOUPL-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001654466428 1101720031 /nfs/dbraw/zinc/72/00/31/1101720031.db2.gz YYUPOHOWRFCMLH-NSHDSACASA-N 1 0 343.387 2.574 10 5 EFBERO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001654795382 1101757030 /nfs/dbraw/zinc/75/70/30/1101757030.db2.gz YGNIVQSWGNMHMO-ZDUSSCGKSA-N 1 0 348.403 2.952 10 5 EFBERO CC[NH+](CC)CCC[C@@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC001654896648 1101766731 /nfs/dbraw/zinc/76/67/31/1101766731.db2.gz YXMSYQCJWTVPLG-GFCCVEGCSA-N 1 0 338.408 2.699 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001655528516 1101840273 /nfs/dbraw/zinc/84/02/73/1101840273.db2.gz POVYNOLFDDARNB-CYBMUJFWSA-N 1 0 346.431 2.979 10 5 EFBERO Nc1cc(CCCCNc2nc3ccccn3c2[N+](=O)[O-])cc[nH+]1 ZINC001655894612 1101908688 /nfs/dbraw/zinc/90/86/88/1101908688.db2.gz GQCMTLRKXWLUEM-UHFFFAOYSA-N 1 0 326.360 2.655 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccnn2C)c([N+](=O)[O-])cc1F ZINC001655919002 1101910292 /nfs/dbraw/zinc/91/02/92/1101910292.db2.gz MNLKUUFDBYPKFR-AWEZNQCLSA-N 1 0 348.378 2.683 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001655965091 1101919243 /nfs/dbraw/zinc/91/92/43/1101919243.db2.gz HDYDXLFMCCRANF-CQSZACIVSA-N 1 0 333.338 2.894 10 5 EFBERO CC[N@H+](CCNC(=O)c1cocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266408949 1101928101 /nfs/dbraw/zinc/92/81/01/1101928101.db2.gz ZEJDMGCSEMWKAK-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CC1(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001656146999 1101976353 /nfs/dbraw/zinc/97/63/53/1101976353.db2.gz BOORSVHWBULZPO-OTVXOJSOSA-N 1 0 331.416 2.769 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001656157504 1101980468 /nfs/dbraw/zinc/98/04/68/1101980468.db2.gz UAYYJXAJBPPYBM-JGZJWPJOSA-N 1 0 347.387 2.686 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CF)CCC1 ZINC001656160868 1101981833 /nfs/dbraw/zinc/98/18/33/1101981833.db2.gz WNZUSVWGHRYLGY-OTVXOJSOSA-N 1 0 349.406 2.719 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)c1 ZINC001656402599 1102053705 /nfs/dbraw/zinc/05/37/05/1102053705.db2.gz XCKGMYXXJQLEFG-XJKSGUPXSA-N 1 0 336.413 2.566 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656550004 1102119343 /nfs/dbraw/zinc/11/93/43/1102119343.db2.gz YGNLAAHJCJBRPG-CHWSQXEVSA-N 1 0 335.404 2.731 10 5 EFBERO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC001658193845 1102443845 /nfs/dbraw/zinc/44/38/45/1102443845.db2.gz CBPAZLSXBRZQEG-NWDGAFQWSA-N 1 0 332.360 2.550 10 5 EFBERO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC001658193847 1102444540 /nfs/dbraw/zinc/44/45/40/1102444540.db2.gz CBPAZLSXBRZQEG-VXGBXAGGSA-N 1 0 332.360 2.550 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000588445064 1102543359 /nfs/dbraw/zinc/54/33/59/1102543359.db2.gz SANLXZZNUZKMAL-AINHQSCGSA-N 1 0 329.400 2.695 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCn2nccc21 ZINC001659917389 1102578474 /nfs/dbraw/zinc/57/84/74/1102578474.db2.gz DBVONZXAZXPVLG-AWEZNQCLSA-N 1 0 343.387 2.553 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]cc1C1CC1 ZINC001266928319 1102710073 /nfs/dbraw/zinc/71/00/73/1102710073.db2.gz GVYYLMXPMIJDJK-UHFFFAOYSA-N 1 0 342.399 2.662 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001660417115 1102751943 /nfs/dbraw/zinc/75/19/43/1102751943.db2.gz UDJIWMSCWLGVKT-JZXOWHBKSA-N 1 0 346.427 2.845 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(F)CCCCC1 ZINC001266952186 1102761210 /nfs/dbraw/zinc/76/12/10/1102761210.db2.gz FYYCBZUITAAKKX-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001660490352 1102795979 /nfs/dbraw/zinc/79/59/79/1102795979.db2.gz QYZVZFZILUOYHS-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CC[N@H+](CCCNC(=O)c1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001660586530 1102868023 /nfs/dbraw/zinc/86/80/23/1102868023.db2.gz PZTDCZLBKBMKBA-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CC(C)=CC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001660760832 1102965696 /nfs/dbraw/zinc/96/56/96/1102965696.db2.gz GHJAXQDHWJRUDA-UHFFFAOYSA-N 1 0 331.416 2.984 10 5 EFBERO C/C(=C/C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001271969615 1103296563 /nfs/dbraw/zinc/29/65/63/1103296563.db2.gz PEXRFVUVNXYZBO-OWBHPGMISA-N 1 0 331.416 2.841 10 5 EFBERO CCC(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661568548 1103323174 /nfs/dbraw/zinc/32/31/74/1103323174.db2.gz BRRVQQJPMWYPKJ-BETUJISGSA-N 1 0 325.434 2.829 10 5 EFBERO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000906171224 1103977258 /nfs/dbraw/zinc/97/72/58/1103977258.db2.gz RAPCITRJHYZANF-KRWDZBQOSA-N 1 0 326.400 2.793 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC001126642525 1103987635 /nfs/dbraw/zinc/98/76/35/1103987635.db2.gz UXNCENLNEOOXHB-UHFFFAOYSA-N 1 0 346.431 2.825 10 5 EFBERO COc1csc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001663245345 1104036546 /nfs/dbraw/zinc/03/65/46/1104036546.db2.gz RYCGLOHPXVUVEL-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663393507 1104081616 /nfs/dbraw/zinc/08/16/16/1104081616.db2.gz SUOYDAXWYNAASH-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccnc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663438889 1104095085 /nfs/dbraw/zinc/09/50/85/1104095085.db2.gz BQLGJPRYLGQTSM-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cc1c[nH]cc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001663773001 1104211789 /nfs/dbraw/zinc/21/17/89/1104211789.db2.gz KYYSVHLFXMACFR-UHFFFAOYSA-N 1 0 342.399 2.626 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCCC1 ZINC001673425584 1104220026 /nfs/dbraw/zinc/22/00/26/1104220026.db2.gz PLRCZZPGVZBRJD-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000906498716 1104243718 /nfs/dbraw/zinc/24/37/18/1104243718.db2.gz CRHRIOBGRUQKHS-OAHLLOKOSA-N 1 0 342.399 2.693 10 5 EFBERO CC(C)(F)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001666738159 1104990996 /nfs/dbraw/zinc/99/09/96/1104990996.db2.gz QJSMDXNTOCKSAY-UHFFFAOYSA-N 1 0 337.395 2.862 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001668887387 1105393702 /nfs/dbraw/zinc/39/37/02/1105393702.db2.gz JROSJISWPOSZOM-ONEGZZNKSA-N 1 0 342.399 2.616 10 5 EFBERO CC1(CNC(=O)C2CC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001671820575 1105709872 /nfs/dbraw/zinc/70/98/72/1105709872.db2.gz QMLNXQIBUFZFAA-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO O=C(CCC(F)F)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001673189282 1105982851 /nfs/dbraw/zinc/98/28/51/1105982851.db2.gz GSDVHXUFWLEVKX-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO CC(C)c1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001673434234 1106026365 /nfs/dbraw/zinc/02/63/65/1106026365.db2.gz JNHRMWNTXNIHHW-QZTJIDSGSA-N 1 0 347.459 2.756 10 5 EFBERO CC/C(C)=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001675740073 1106418036 /nfs/dbraw/zinc/41/80/36/1106418036.db2.gz XILPRSIAPGIGEX-IYEFPVAYSA-N 1 0 331.416 2.936 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001681237088 1108174590 /nfs/dbraw/zinc/17/45/90/1108174590.db2.gz DNGMZJUQXQTDJE-KRWDZBQOSA-N 1 0 348.447 2.509 10 5 EFBERO C/C(=C/C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001483718495 1108264966 /nfs/dbraw/zinc/26/49/66/1108264966.db2.gz OLOBLLDFBLLICL-LCYFTJDESA-N 1 0 329.400 2.690 10 5 EFBERO C/C(=C\C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001483718498 1108266411 /nfs/dbraw/zinc/26/64/11/1108266411.db2.gz OLOBLLDFBLLICL-UKTHLTGXSA-N 1 0 329.400 2.690 10 5 EFBERO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001625787821 1108775666 /nfs/dbraw/zinc/77/56/66/1108775666.db2.gz HHTQMNHKIZXWOI-UHFFFAOYSA-N 1 0 348.447 2.905 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000898826103 1109099882 /nfs/dbraw/zinc/09/98/82/1109099882.db2.gz MXWBLOQOTZEPET-VVLHAWIVSA-N 1 0 343.427 2.687 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000898847362 1109103491 /nfs/dbraw/zinc/10/34/91/1109103491.db2.gz ZVLSMIPPWFVOTG-KGLIPLIRSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C12CCC2 ZINC000898847034 1109103572 /nfs/dbraw/zinc/10/35/72/1109103572.db2.gz XVUORRDUOFRKTD-CVEARBPZSA-N 1 0 342.399 2.679 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000899565834 1109395687 /nfs/dbraw/zinc/39/56/87/1109395687.db2.gz BKBDPBSBJNNRCV-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914443736 1111148252 /nfs/dbraw/zinc/14/82/52/1111148252.db2.gz NRUUDYGQWJGRPJ-GXTWGEPZSA-N 1 0 334.420 2.512 10 5 EFBERO C[N@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484554008 1113006630 /nfs/dbraw/zinc/00/66/30/1113006630.db2.gz NPDONUCPDAAIAM-IAGOWNOFSA-N 1 0 347.459 2.836 10 5 EFBERO O=C(CCCF)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001484580270 1113033120 /nfs/dbraw/zinc/03/31/20/1113033120.db2.gz BBEMKXNASCTRQM-UHFFFAOYSA-N 1 0 349.406 2.769 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001484621792 1113070904 /nfs/dbraw/zinc/07/09/04/1113070904.db2.gz IDZAKLIUKRZADM-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484630760 1113079986 /nfs/dbraw/zinc/07/99/86/1113079986.db2.gz GPQBPUYRRXPGPU-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250945 1118166975 /nfs/dbraw/zinc/16/69/75/1118166975.db2.gz UYNXYXKWILNQNU-HZPDHXFCSA-N 1 0 339.480 2.696 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000181402311 529405960 /nfs/dbraw/zinc/40/59/60/529405960.db2.gz IFVYJFPAXCMJOH-TZMCWYRMSA-N 1 0 348.403 2.694 10 5 EFBERO CC[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000181552054 529586530 /nfs/dbraw/zinc/58/65/30/529586530.db2.gz SOSANCZCSMUZFD-ZDUSSCGKSA-N 1 0 334.401 2.755 10 5 EFBERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000061233220 214658884 /nfs/dbraw/zinc/65/88/84/214658884.db2.gz UMBAAYGPNOLTRO-MRVPVSSYSA-N 1 0 330.182 2.541 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178021446 232061673 /nfs/dbraw/zinc/06/16/73/232061673.db2.gz NUWONUMJPRKEOH-AWEZNQCLSA-N 1 0 327.384 2.984 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178545342 232247801 /nfs/dbraw/zinc/24/78/01/232247801.db2.gz DOJNEOGPCCTSLL-GFCCVEGCSA-N 1 0 343.305 2.534 10 5 EFBERO Cc1sc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182252930 282475858 /nfs/dbraw/zinc/47/58/58/282475858.db2.gz KXQXRTNYAVQUIV-NSHDSACASA-N 1 0 325.434 2.959 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]CCc2nnc3n2CCCCC3)ccc1Cl ZINC000067698158 215189841 /nfs/dbraw/zinc/18/98/41/215189841.db2.gz JFPICLZQZOVNFV-UHFFFAOYSA-N 1 0 349.822 2.898 10 5 EFBERO CN(c1ncnc(OC2CCCCC2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040661235 213365164 /nfs/dbraw/zinc/36/51/64/213365164.db2.gz JGFSANRLEYDJEE-UHFFFAOYSA-N 1 0 349.435 2.627 10 5 EFBERO CC1(C)CC(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040609022 213358084 /nfs/dbraw/zinc/35/80/84/213358084.db2.gz ZDFQNMQIGXZSHI-UHFFFAOYSA-N 1 0 348.451 2.706 10 5 EFBERO O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)ncnc1N1CCCCCC1 ZINC000040610014 213357865 /nfs/dbraw/zinc/35/78/65/213357865.db2.gz FIBCNHLDFZEFHF-UHFFFAOYSA-N 1 0 348.451 2.663 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000183202065 234951231 /nfs/dbraw/zinc/95/12/31/234951231.db2.gz FFXFLMDPCOYMRO-ISTVAULSSA-N 1 0 341.795 2.732 10 5 EFBERO CC[NH+]1CCC(NCc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037977206 213180306 /nfs/dbraw/zinc/18/03/06/213180306.db2.gz AZNITQFTHSJGCY-UHFFFAOYSA-N 1 0 342.237 2.931 10 5 EFBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037040270 213131809 /nfs/dbraw/zinc/13/18/09/213131809.db2.gz WSIKXSGUDVDUJC-RDDDGLTNSA-N 1 0 330.182 2.669 10 5 EFBERO CC(C)C(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000236770926 535372998 /nfs/dbraw/zinc/37/29/98/535372998.db2.gz CQUQBGWGPPVHQE-UHFFFAOYSA-N 1 0 339.823 2.985 10 5 EFBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187990588 236373638 /nfs/dbraw/zinc/37/36/38/236373638.db2.gz KXBKPWCFGWDLQR-SJKOYZFVSA-N 1 0 346.387 2.628 10 5 EFBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188010296 236380672 /nfs/dbraw/zinc/38/06/72/236380672.db2.gz YHXSGOYWLMRIHR-SJCJKPOMSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1c(CC(=O)NCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000163159203 239101525 /nfs/dbraw/zinc/10/15/25/239101525.db2.gz DTELPXKRRBUTQK-UHFFFAOYSA-N 1 0 333.432 2.826 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175658236 239280605 /nfs/dbraw/zinc/28/06/05/239280605.db2.gz NYRRSFFNVGXRKN-UHFFFAOYSA-N 1 0 348.428 2.564 10 5 EFBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000191952088 240014482 /nfs/dbraw/zinc/01/44/82/240014482.db2.gz HKLHHKIHKDKNRE-UHFFFAOYSA-N 1 0 343.387 2.659 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000229884191 242211683 /nfs/dbraw/zinc/21/16/83/242211683.db2.gz HKEFNUBDNGKKFK-QMMMGPOBSA-N 1 0 325.166 2.931 10 5 EFBERO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411927343 243029386 /nfs/dbraw/zinc/02/93/86/243029386.db2.gz SBNUKHANVLMMHB-NVXWUHKLSA-N 1 0 328.368 2.911 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245575281 243132153 /nfs/dbraw/zinc/13/21/53/243132153.db2.gz FJQBUTPRRSAUIN-OCCSQVGLSA-N 1 0 332.404 2.912 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000414586844 244243051 /nfs/dbraw/zinc/24/30/51/244243051.db2.gz UYFFJWJUFSUXBK-ZYHUDNBSSA-N 1 0 330.331 2.837 10 5 EFBERO Cn1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077465980 216911199 /nfs/dbraw/zinc/91/11/99/216911199.db2.gz HHSNRQHYUQJZPQ-YOEHRIQHSA-N 1 0 344.415 2.636 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419306874 245375481 /nfs/dbraw/zinc/37/54/81/245375481.db2.gz YZYTVBSYMCBTHF-AWEZNQCLSA-N 1 0 336.342 2.777 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000078870242 217135122 /nfs/dbraw/zinc/13/51/22/217135122.db2.gz LZMLDTKOCNKTJF-GHMZBOCLSA-N 1 0 325.796 2.803 10 5 EFBERO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000081334867 217384664 /nfs/dbraw/zinc/38/46/64/217384664.db2.gz WTPWEKKJQBYQLM-ZDUSSCGKSA-N 1 0 344.415 2.880 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000264308753 246329637 /nfs/dbraw/zinc/32/96/37/246329637.db2.gz NEIGQSAHDFPRHK-AWEZNQCLSA-N 1 0 335.404 2.916 10 5 EFBERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433086078 248013850 /nfs/dbraw/zinc/01/38/50/248013850.db2.gz YWSQVWSCBBINIE-SEEARECTSA-N 1 0 329.400 2.652 10 5 EFBERO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000434615631 248169880 /nfs/dbraw/zinc/16/98/80/248169880.db2.gz NFYFHFNDVDWGLL-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441214034 250008734 /nfs/dbraw/zinc/00/87/34/250008734.db2.gz WXDVBUXYAMLUCP-GJZGRUSLSA-N 1 0 347.415 2.590 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441282474 250015978 /nfs/dbraw/zinc/01/59/78/250015978.db2.gz VNDRZDDZZAGSQX-RBSFLKMASA-N 1 0 347.415 2.670 10 5 EFBERO C[NH+](C)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444013682 250249958 /nfs/dbraw/zinc/24/99/58/250249958.db2.gz NGYJUGLIDYIYRN-UHFFFAOYSA-N 1 0 349.434 2.848 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)nc2c1 ZINC000444658303 250322988 /nfs/dbraw/zinc/32/29/88/250322988.db2.gz AVDKDRURJMWHJI-OLZOCXBDSA-N 1 0 330.388 2.720 10 5 EFBERO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000009216594 211053277 /nfs/dbraw/zinc/05/32/77/211053277.db2.gz QEJZUTMOWHESMQ-CYBMUJFWSA-N 1 0 349.412 2.698 10 5 EFBERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000095418295 218357200 /nfs/dbraw/zinc/35/72/00/218357200.db2.gz IONWCFWAQFLRBK-SWLSCSKDSA-N 1 0 334.420 2.961 10 5 EFBERO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3(O)CCCCC3)CC2)nc1 ZINC000095443244 218387976 /nfs/dbraw/zinc/38/79/76/218387976.db2.gz QHCRENQPRYUCBR-UHFFFAOYSA-N 1 0 334.420 2.561 10 5 EFBERO CCc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000449608366 251081451 /nfs/dbraw/zinc/08/14/51/251081451.db2.gz HATHUCGFHYVRRE-NSHDSACASA-N 1 0 332.360 2.652 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000449688199 251116679 /nfs/dbraw/zinc/11/66/79/251116679.db2.gz SZJQNNNITCDYLU-KRWDZBQOSA-N 1 0 336.388 2.615 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000452096656 251784907 /nfs/dbraw/zinc/78/49/07/251784907.db2.gz YKJCEHPMASAFJB-UONOGXRCSA-N 1 0 335.404 2.670 10 5 EFBERO Cc1cccnc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314231 252032697 /nfs/dbraw/zinc/03/26/97/252032697.db2.gz SUYPJXYLJFSGTH-HZPDHXFCSA-N 1 0 329.404 2.811 10 5 EFBERO Cc1cccnc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314233 252032705 /nfs/dbraw/zinc/03/27/05/252032705.db2.gz SUYPJXYLJFSGTH-JKSUJKDBSA-N 1 0 329.404 2.811 10 5 EFBERO C[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453445466 252038894 /nfs/dbraw/zinc/03/88/94/252038894.db2.gz YLXLZUWGBSALOO-RTBURBONSA-N 1 0 339.395 2.943 10 5 EFBERO CCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cn1 ZINC000112695473 220375945 /nfs/dbraw/zinc/37/59/45/220375945.db2.gz JEIXGFMRMINNJA-UHFFFAOYSA-N 1 0 343.431 2.832 10 5 EFBERO CCOc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457036880 255672633 /nfs/dbraw/zinc/67/26/33/255672633.db2.gz QLQRKOKHROYGMC-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000171611415 533261987 /nfs/dbraw/zinc/26/19/87/533261987.db2.gz FIMHYLWCWCKNMH-KDOFPFPSSA-N 1 0 341.411 2.945 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1cccnc1 ZINC000342274940 533408720 /nfs/dbraw/zinc/40/87/20/533408720.db2.gz IFFFVHDXSZNRJT-LEHPZIBWSA-N 1 0 327.384 2.759 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)C1CC1 ZINC000348640489 296514195 /nfs/dbraw/zinc/51/41/95/296514195.db2.gz IPRPAMSCPYSFPJ-ROUUACIJSA-N 1 0 341.411 2.677 10 5 EFBERO COCCN1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799730 142080502 /nfs/dbraw/zinc/08/05/02/142080502.db2.gz ZFTSEWRUUCFJHA-HAZIXKIPSA-N 1 0 333.432 2.699 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccc(OC)n1 ZINC000344970046 142105322 /nfs/dbraw/zinc/10/53/22/142105322.db2.gz RIGXCINITSUHEO-UHFFFAOYSA-N 1 0 331.372 2.729 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000345942986 142122040 /nfs/dbraw/zinc/12/20/40/142122040.db2.gz FKJYJXDCHYRNOF-RYUDHWBXSA-N 1 0 330.388 2.631 10 5 EFBERO CC(C)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000347618297 142245869 /nfs/dbraw/zinc/24/58/69/142245869.db2.gz VBPZUULXPGMBDL-UONOGXRCSA-N 1 0 338.433 2.591 10 5 EFBERO C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000342296578 145095596 /nfs/dbraw/zinc/09/55/96/145095596.db2.gz ROZSCBUXPNGZSC-ZDUSSCGKSA-N 1 0 338.367 2.656 10 5 EFBERO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033868 145351018 /nfs/dbraw/zinc/35/10/18/145351018.db2.gz FZGXFZZNIHYTAW-PBHICJAKSA-N 1 0 329.400 2.988 10 5 EFBERO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CC=CCC1 ZINC000344076923 145362431 /nfs/dbraw/zinc/36/24/31/145362431.db2.gz WFMSIMWSWVNZJU-CQSZACIVSA-N 1 0 329.400 2.772 10 5 EFBERO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344092522 145366777 /nfs/dbraw/zinc/36/67/77/145366777.db2.gz VTGNJYMQTXYUCC-ZDUSSCGKSA-N 1 0 333.388 2.830 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccsc1 ZINC000352033167 146271957 /nfs/dbraw/zinc/27/19/57/146271957.db2.gz QYUVOMPWDPNLIQ-OAHLLOKOSA-N 1 0 349.412 2.617 10 5 EFBERO COc1cc(C[NH2+][C@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000352906065 146345920 /nfs/dbraw/zinc/34/59/20/146345920.db2.gz CKMMIADHTQIGPE-OAHLLOKOSA-N 1 0 348.346 2.701 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)CN(Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000352999190 146370621 /nfs/dbraw/zinc/37/06/21/146370621.db2.gz UGABAHCOUVDWQD-UHFFFAOYSA-N 1 0 343.774 2.849 10 5 EFBERO Cc1cc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000353087444 146393445 /nfs/dbraw/zinc/39/34/45/146393445.db2.gz LCYFASYPROPMGQ-UHFFFAOYSA-N 1 0 341.371 2.624 10 5 EFBERO COCC[C@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353088039 146393590 /nfs/dbraw/zinc/39/35/90/146393590.db2.gz ZYVORLKAIWWWNR-CQSZACIVSA-N 1 0 334.372 2.996 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355780551 147060586 /nfs/dbraw/zinc/06/05/86/147060586.db2.gz ANHUHAJMJYKTFG-AGIUHOORSA-N 1 0 335.404 2.908 10 5 EFBERO COc1c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000355803170 147068518 /nfs/dbraw/zinc/06/85/18/147068518.db2.gz RCHBTDOIOHZVDK-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356308205 147206952 /nfs/dbraw/zinc/20/69/52/147206952.db2.gz SOUZXIMBFIPQBO-JZUUQJBKSA-N 1 0 330.384 2.678 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000359540595 148115801 /nfs/dbraw/zinc/11/58/01/148115801.db2.gz CNRODHMHJWPBLD-HFTRVMKXSA-N 1 0 334.416 2.847 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000359540597 148116321 /nfs/dbraw/zinc/11/63/21/148116321.db2.gz CNRODHMHJWPBLD-QGPMSJSTSA-N 1 0 334.416 2.847 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000360344690 148336334 /nfs/dbraw/zinc/33/63/34/148336334.db2.gz OJAXJCNOEGBGOP-INIZCTEOSA-N 1 0 327.384 2.933 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363155422 148937633 /nfs/dbraw/zinc/93/76/33/148937633.db2.gz NIZNFXTXGMEJOO-IPKOWEFYSA-N 1 0 345.399 2.820 10 5 EFBERO CC[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363312512 148957299 /nfs/dbraw/zinc/95/72/99/148957299.db2.gz LUOMKWDHGPEPTK-DLBZAZTESA-N 1 0 346.431 2.926 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000364747062 149233477 /nfs/dbraw/zinc/23/34/77/149233477.db2.gz XJLFBKNUHFWHBV-XHDPSFHLSA-N 1 0 337.807 2.852 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CN1 ZINC000372859340 151071807 /nfs/dbraw/zinc/07/18/07/151071807.db2.gz QUIDNZWDJJRDNF-XHDPSFHLSA-N 1 0 337.807 2.739 10 5 EFBERO CC1=C(c2ccco2)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374539060 151365055 /nfs/dbraw/zinc/36/50/55/151365055.db2.gz UBOMYIDSBIBIPO-UHFFFAOYSA-N 1 0 341.367 2.966 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000376026819 151643034 /nfs/dbraw/zinc/64/30/34/151643034.db2.gz CENSUIDOVKBVKJ-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000123792181 222332469 /nfs/dbraw/zinc/33/24/69/222332469.db2.gz CMJCEZAOXWDPEG-CQSZACIVSA-N 1 0 327.388 2.940 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123853121 222341774 /nfs/dbraw/zinc/34/17/74/222341774.db2.gz LKIUJNGLRQGUNA-NWDGAFQWSA-N 1 0 337.445 2.871 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123485703 222286386 /nfs/dbraw/zinc/28/63/86/222286386.db2.gz PHBNQBPSJKOPNO-HUUCEWRRSA-N 1 0 348.447 2.646 10 5 EFBERO CO[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190950128 265244889 /nfs/dbraw/zinc/24/48/89/265244889.db2.gz CYMTXNDZTFURGD-GOEBONIOSA-N 1 0 330.388 2.652 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)no1 ZINC000271531763 266001632 /nfs/dbraw/zinc/00/16/32/266001632.db2.gz WXKHFGZMHUWVDB-LBPRGKRZSA-N 1 0 336.417 2.989 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271818977 266068938 /nfs/dbraw/zinc/06/89/38/266068938.db2.gz ZPATZCUACBHTIM-BDJLRTHQSA-N 1 0 331.328 2.887 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438383 266265313 /nfs/dbraw/zinc/26/53/13/266265313.db2.gz OHUDAYZXSGHHIF-UWVGGRQHSA-N 1 0 330.331 2.993 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275109630 266753511 /nfs/dbraw/zinc/75/35/11/266753511.db2.gz MVISZJIAZXXUPW-ZYHUDNBSSA-N 1 0 345.321 2.656 10 5 EFBERO COC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000277042961 267104640 /nfs/dbraw/zinc/10/46/40/267104640.db2.gz PIDOHMQDOAQMBN-CJNGLKHVSA-N 1 0 347.415 2.610 10 5 EFBERO C[C@H](C[NH3+])Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000111302812 273014604 /nfs/dbraw/zinc/01/46/04/273014604.db2.gz FVJLTGKSJRCEJU-SSDOTTSWSA-N 1 0 325.166 2.665 10 5 EFBERO C[C@H]1C[NH+](CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277356421 267162718 /nfs/dbraw/zinc/16/27/18/267162718.db2.gz ARIDUMMIOIBQMH-STQMWFEESA-N 1 0 347.419 2.772 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000277677379 267231784 /nfs/dbraw/zinc/23/17/84/267231784.db2.gz YCQALBFPVABVBA-HNNXBMFYSA-N 1 0 347.415 2.694 10 5 EFBERO C[C@@H]1C[N@H+](CCCNCc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044003 267327935 /nfs/dbraw/zinc/32/79/35/267327935.db2.gz XSBXOOZAWWOCPW-CYBMUJFWSA-N 1 0 341.839 2.839 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000278170505 267360161 /nfs/dbraw/zinc/36/01/61/267360161.db2.gz AZBVONDSXLDFQP-ZDUSSCGKSA-N 1 0 329.404 2.926 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]([NH+]4CCCC4)C3)nc2c1 ZINC000278547709 267477664 /nfs/dbraw/zinc/47/76/64/267477664.db2.gz VNMFKZTZLDKEEF-CQSZACIVSA-N 1 0 329.404 2.926 10 5 EFBERO COC[C@@H](O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039100 273043793 /nfs/dbraw/zinc/04/37/93/273043793.db2.gz RKLDRSKVUVNGJT-ROUUACIJSA-N 1 0 330.384 2.671 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485480 273721321 /nfs/dbraw/zinc/72/13/21/273721321.db2.gz XMNWSHSFVRTPKC-QRTARXTBSA-N 1 0 334.416 2.813 10 5 EFBERO CN1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424330240 273909246 /nfs/dbraw/zinc/90/92/46/273909246.db2.gz RRCKPZBDYZXMTA-DYVFJYSZSA-N 1 0 331.416 2.820 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000285453578 274002475 /nfs/dbraw/zinc/00/24/75/274002475.db2.gz YRNIJRZBRKAWIH-SFHVURJKSA-N 1 0 344.411 2.647 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286110051 274135568 /nfs/dbraw/zinc/13/55/68/274135568.db2.gz LMVFHTKYIRXEFD-INIZCTEOSA-N 1 0 343.387 2.792 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([NH+](C)C)CC1 ZINC000450252585 274139992 /nfs/dbraw/zinc/13/99/92/274139992.db2.gz ZSSSKBKWIOFCKA-UHFFFAOYSA-N 1 0 330.388 2.682 10 5 EFBERO O=c1[nH]c(NC2CC[NH+](CC3CC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286238311 274159694 /nfs/dbraw/zinc/15/96/94/274159694.db2.gz HZPBFHSFMMYQSV-UHFFFAOYSA-N 1 0 343.387 2.530 10 5 EFBERO C[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163949367 274304486 /nfs/dbraw/zinc/30/44/86/274304486.db2.gz JUFLPUKUJCGRGX-ZJUUUORDSA-N 1 0 328.210 2.778 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368144948 275846439 /nfs/dbraw/zinc/84/64/39/275846439.db2.gz FGYVJLJSXBYIRL-OAHLLOKOSA-N 1 0 331.416 2.764 10 5 EFBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223492 276066783 /nfs/dbraw/zinc/06/67/83/276066783.db2.gz KXWGTODOPYQAAT-JSGCOSHPSA-N 1 0 329.404 2.975 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173088823 276167635 /nfs/dbraw/zinc/16/76/35/276167635.db2.gz QORBHCMHOJMVHU-LLVKDONJSA-N 1 0 345.321 2.828 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461286 276214085 /nfs/dbraw/zinc/21/40/85/276214085.db2.gz JWHNRUZRJFNWGH-CXAGYDPISA-N 1 0 349.431 2.623 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707209 276224409 /nfs/dbraw/zinc/22/44/09/276224409.db2.gz RJEQRHKYOCFJND-GJZGRUSLSA-N 1 0 348.447 2.504 10 5 EFBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000345980948 277567721 /nfs/dbraw/zinc/56/77/21/277567721.db2.gz CPPZQBNHXCLVTJ-UHFFFAOYSA-N 1 0 348.447 2.904 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187859531 278222332 /nfs/dbraw/zinc/22/23/32/278222332.db2.gz YFOWZRHTVWGKOC-SWLSCSKDSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252137093 278484929 /nfs/dbraw/zinc/48/49/29/278484929.db2.gz LQLIHSYBGXDVMQ-RNCFNFMXSA-N 1 0 328.210 2.921 10 5 EFBERO Cc1sc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182252912 279282701 /nfs/dbraw/zinc/28/27/01/279282701.db2.gz KXQXRTNYAVQUIV-LLVKDONJSA-N 1 0 325.434 2.959 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000359081975 280398327 /nfs/dbraw/zinc/39/83/27/280398327.db2.gz ALOAGYDULNNHHL-UHFFFAOYSA-N 1 0 329.404 2.570 10 5 EFBERO Cc1cc(N2CCCC[C@@H]2C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235830504 280549332 /nfs/dbraw/zinc/54/93/32/280549332.db2.gz JXPWFRXHUZIKDK-SNVBAGLBSA-N 1 0 328.210 2.983 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245524386 281022709 /nfs/dbraw/zinc/02/27/09/281022709.db2.gz NMVKYIIXOKHCQF-RVKKMQEKSA-N 1 0 333.432 2.617 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175048961 281192651 /nfs/dbraw/zinc/19/26/51/281192651.db2.gz HVQLIONIBKLLMG-WCQYABFASA-N 1 0 337.807 2.947 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000129923710 293147731 /nfs/dbraw/zinc/14/77/31/293147731.db2.gz AFSUXTHVPLSOMZ-UHFFFAOYSA-N 1 0 333.432 2.764 10 5 EFBERO NC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152967695 293355207 /nfs/dbraw/zinc/35/52/07/293355207.db2.gz XUHHXHDTVAGIGY-MRXNPFEDSA-N 1 0 347.415 2.617 10 5 EFBERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579692 294125744 /nfs/dbraw/zinc/12/57/44/294125744.db2.gz PJIVFLOVHCGARQ-BBBLOLIVSA-N 1 0 329.784 2.588 10 5 EFBERO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636657 294142043 /nfs/dbraw/zinc/14/20/43/294142043.db2.gz VNMJDJRPURCZPC-OPRDCNLKSA-N 1 0 329.784 2.588 10 5 EFBERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670314 295024479 /nfs/dbraw/zinc/02/44/79/295024479.db2.gz JSQGCTBVSLTIFT-LLVKDONJSA-N 1 0 338.408 2.742 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293932779 295081872 /nfs/dbraw/zinc/08/18/72/295081872.db2.gz YXIADFIXJIFYFQ-SNVBAGLBSA-N 1 0 345.321 2.685 10 5 EFBERO NC(=O)c1cccc(CN(Cc2csc([N+](=O)[O-])c2)C2CC2)c1 ZINC000294757945 295221783 /nfs/dbraw/zinc/22/17/83/295221783.db2.gz IVNQBNVKKFGUHB-UHFFFAOYSA-N 1 0 331.397 2.920 10 5 EFBERO Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000295063630 295263574 /nfs/dbraw/zinc/26/35/74/295263574.db2.gz GTDJBGVPCYDLAW-UHFFFAOYSA-N 1 0 340.445 2.596 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202516 295281737 /nfs/dbraw/zinc/28/17/37/295281737.db2.gz KYRAWFUZGHSREB-TVQRCGJNSA-N 1 0 341.795 2.732 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000295570173 295342602 /nfs/dbraw/zinc/34/26/02/295342602.db2.gz YSCDHPPCTUXFLP-INIZCTEOSA-N 1 0 339.367 2.756 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261874621 295413205 /nfs/dbraw/zinc/41/32/05/295413205.db2.gz XTHIOHXHHVTBRS-QGZVFWFLSA-N 1 0 327.384 2.750 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000261610623 303462301 /nfs/dbraw/zinc/46/23/01/303462301.db2.gz BBEGJDGYTOCMHM-OPRDCNLKSA-N 1 0 330.310 2.572 10 5 EFBERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000313032906 311230820 /nfs/dbraw/zinc/23/08/20/311230820.db2.gz UILLTFUPUFXSQE-LBPRGKRZSA-N 1 0 329.194 2.872 10 5 EFBERO COCCC1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000297513575 310903659 /nfs/dbraw/zinc/90/36/59/310903659.db2.gz XLUZUXGVNBAGPU-UHFFFAOYSA-N 1 0 344.415 2.854 10 5 EFBERO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000298461263 310992273 /nfs/dbraw/zinc/99/22/73/310992273.db2.gz RPYRVODWSOCSOF-LLVKDONJSA-N 1 0 325.796 2.723 10 5 EFBERO C[C@H]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000299677471 311109981 /nfs/dbraw/zinc/10/99/81/311109981.db2.gz UPJFGZSPHNYESA-NSHDSACASA-N 1 0 346.412 2.999 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301405760 311135780 /nfs/dbraw/zinc/13/57/80/311135780.db2.gz ULNYSXTULDMTMQ-CYBMUJFWSA-N 1 0 333.388 2.810 10 5 EFBERO COC(=O)c1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301405761 311135883 /nfs/dbraw/zinc/13/58/83/311135883.db2.gz ULNYSXTULDMTMQ-ZDUSSCGKSA-N 1 0 333.388 2.810 10 5 EFBERO COc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000301608693 311147424 /nfs/dbraw/zinc/14/74/24/311147424.db2.gz ACTHVJQKIVHNGX-GFCCVEGCSA-N 1 0 341.383 2.511 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301728105 311155061 /nfs/dbraw/zinc/15/50/61/311155061.db2.gz RATMFQXIHOHMCH-KBPBESRZSA-N 1 0 339.823 2.674 10 5 EFBERO C[C@H]1CCC[N@H+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301923114 311166944 /nfs/dbraw/zinc/16/69/44/311166944.db2.gz LNRIBLDJDVQAER-ZDUSSCGKSA-N 1 0 332.408 2.562 10 5 EFBERO C[N@H+](CCCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000301938717 311167760 /nfs/dbraw/zinc/16/77/60/311167760.db2.gz SPEPXYYDRPZPFJ-UHFFFAOYSA-N 1 0 332.408 2.704 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000302018618 311172499 /nfs/dbraw/zinc/17/24/99/311172499.db2.gz DFKHJKBWWZHYEQ-UHFFFAOYSA-N 1 0 342.399 2.811 10 5 EFBERO C[NH+](C)Cc1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1F ZINC000302035023 311173771 /nfs/dbraw/zinc/17/37/71/311173771.db2.gz LMVNTAMIMGIGBV-UHFFFAOYSA-N 1 0 333.363 2.900 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000302065812 311175826 /nfs/dbraw/zinc/17/58/26/311175826.db2.gz UIJPVKFFHUPWCN-GOEBONIOSA-N 1 0 331.416 2.540 10 5 EFBERO C[C@@H](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+]1CCCCC1 ZINC000302134029 311179435 /nfs/dbraw/zinc/17/94/35/311179435.db2.gz HISCCRLATPZETC-LBPRGKRZSA-N 1 0 348.403 2.602 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000302146239 311180424 /nfs/dbraw/zinc/18/04/24/311180424.db2.gz GPZPRXCNZQZBDE-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000302823481 311202836 /nfs/dbraw/zinc/20/28/36/311202836.db2.gz UXMAGQOKIAVVEY-MRXNPFEDSA-N 1 0 345.374 2.565 10 5 EFBERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312697397 311230825 /nfs/dbraw/zinc/23/08/25/311230825.db2.gz NJCJXUPAVKHVEX-UMNHJUIQSA-N 1 0 340.221 2.839 10 5 EFBERO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330832087 311337598 /nfs/dbraw/zinc/33/75/98/311337598.db2.gz HJAHQZLUAFKCFR-CVEARBPZSA-N 1 0 349.431 2.652 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412553746 311990284 /nfs/dbraw/zinc/99/02/84/311990284.db2.gz WYIQYTODGYVBBI-UHFFFAOYSA-N 1 0 332.335 2.751 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](N)c1ccccc1 ZINC000414826327 312054917 /nfs/dbraw/zinc/05/49/17/312054917.db2.gz FMMOPTYJCXUMDA-DYVFJYSZSA-N 1 0 342.399 2.602 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000414993542 312073607 /nfs/dbraw/zinc/07/36/07/312073607.db2.gz CMVMVWWFWXFQOR-HNNXBMFYSA-N 1 0 337.326 2.942 10 5 EFBERO Cc1c(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650638 312162291 /nfs/dbraw/zinc/16/22/91/312162291.db2.gz FXDNEINDEHKMKF-SFYZADRCSA-N 1 0 345.197 2.523 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000415700575 312166413 /nfs/dbraw/zinc/16/64/13/312166413.db2.gz MVBHCGPALMWOEP-ABAIWWIYSA-N 1 0 332.404 2.718 10 5 EFBERO NC(=O)C1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417307667 312206508 /nfs/dbraw/zinc/20/65/08/312206508.db2.gz GDODFKFCYKBWFM-MQBCKMQZSA-N 1 0 331.416 2.996 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283330 312356915 /nfs/dbraw/zinc/35/69/15/312356915.db2.gz JYXKZUSHMNYTRQ-UHFFFAOYSA-N 1 0 348.447 2.830 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423938455 312485402 /nfs/dbraw/zinc/48/54/02/312485402.db2.gz IERYRGIRWQVTCW-NHYWBVRUSA-N 1 0 337.807 2.852 10 5 EFBERO CC[NH+](CC)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000474783091 313212299 /nfs/dbraw/zinc/21/22/99/313212299.db2.gz DCILBQITTATABK-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO COC(=O)COc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475724847 313226488 /nfs/dbraw/zinc/22/64/88/313226488.db2.gz WCCKBRFBBDTENG-HUUCEWRRSA-N 1 0 348.399 2.769 10 5 EFBERO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937262 314184350 /nfs/dbraw/zinc/18/43/50/314184350.db2.gz QPUOJZWIKHVJNF-DYVFJYSZSA-N 1 0 336.388 2.815 10 5 EFBERO CC[C@@H](NC(=O)N(C)CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000493278984 314301723 /nfs/dbraw/zinc/30/17/23/314301723.db2.gz GRVKOPRBRQNFGC-MRXNPFEDSA-N 1 0 334.420 2.783 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000515408931 315616062 /nfs/dbraw/zinc/61/60/62/315616062.db2.gz BXXFHEWIURFFJY-UHFFFAOYSA-N 1 0 346.431 2.861 10 5 EFBERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531627858 317293278 /nfs/dbraw/zinc/29/32/78/317293278.db2.gz RAAUUWVIBPZGQM-CYBMUJFWSA-N 1 0 334.420 2.620 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000542972780 317835897 /nfs/dbraw/zinc/83/58/97/317835897.db2.gz AISYQOKHZBTMQS-UHFFFAOYSA-N 1 0 333.388 2.668 10 5 EFBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000548125645 318076247 /nfs/dbraw/zinc/07/62/47/318076247.db2.gz ARPREAONFNRUBZ-HNNXBMFYSA-N 1 0 348.447 2.730 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC1CCC1 ZINC000555242289 318350394 /nfs/dbraw/zinc/35/03/94/318350394.db2.gz ZHVZVZSSKMWHGL-ZDUSSCGKSA-N 1 0 335.404 2.718 10 5 EFBERO COC(=O)c1cccc(OCc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000563961320 318834127 /nfs/dbraw/zinc/83/41/27/318834127.db2.gz ZHIYXBGRHKGNKB-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000566103809 319032669 /nfs/dbraw/zinc/03/26/69/319032669.db2.gz MPAFHVXCAAMICY-WOPDTQHZSA-N 1 0 337.445 2.762 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000567690509 319198504 /nfs/dbraw/zinc/19/85/04/319198504.db2.gz CQXRATWNZKOZSI-NXHRZFHOSA-N 1 0 334.416 2.893 10 5 EFBERO C[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956517 319529340 /nfs/dbraw/zinc/52/93/40/319529340.db2.gz SFZQWQDOEMUGJY-UONOGXRCSA-N 1 0 340.445 2.927 10 5 EFBERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000572010831 319628576 /nfs/dbraw/zinc/62/85/76/319628576.db2.gz MLCFHIWRAPVWKF-UHFFFAOYSA-N 1 0 329.356 2.685 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574294334 319850323 /nfs/dbraw/zinc/85/03/23/319850323.db2.gz UONHYCDSATZRQM-QGZVFWFLSA-N 1 0 348.403 2.601 10 5 EFBERO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000577064222 320074462 /nfs/dbraw/zinc/07/44/62/320074462.db2.gz ZARBIVVPSWRZTL-HZSPNIEDSA-N 1 0 348.447 2.687 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC23CCC(CC2)C3)CC1 ZINC000578593886 320219024 /nfs/dbraw/zinc/21/90/24/320219024.db2.gz CKVKTWSPGXAWGL-UHFFFAOYSA-N 1 0 349.456 2.994 10 5 EFBERO CCOc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183148321 323319647 /nfs/dbraw/zinc/31/96/47/323319647.db2.gz ULVZCLHGEVCYTG-AWEZNQCLSA-N 1 0 349.431 2.988 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000580312856 324139507 /nfs/dbraw/zinc/13/95/07/324139507.db2.gz JFLQTDRTUYGEBC-OMVNSRBRSA-N 1 0 325.372 2.584 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000580724419 324222005 /nfs/dbraw/zinc/22/20/05/324222005.db2.gz ASCNLPNULASNOC-UHFFFAOYSA-N 1 0 346.387 2.551 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582474717 324601088 /nfs/dbraw/zinc/60/10/88/324601088.db2.gz YFEILTQRJAQFKX-OKILXGFUSA-N 1 0 332.404 2.675 10 5 EFBERO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000583384528 324801249 /nfs/dbraw/zinc/80/12/49/324801249.db2.gz WIONVWDQKWUCFT-UHFFFAOYSA-N 1 0 343.177 2.543 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000124032551 473205964 /nfs/dbraw/zinc/20/59/64/473205964.db2.gz ZHZTWCUJGWPROL-KRWDZBQOSA-N 1 0 327.384 2.936 10 5 EFBERO Cc1nc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000095966042 473233000 /nfs/dbraw/zinc/23/30/00/473233000.db2.gz OWSOHGRCOGBKKM-AEGPPILISA-N 1 0 334.420 2.600 10 5 EFBERO C[NH+](C)CCn1cc(Nc2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000112077914 473241512 /nfs/dbraw/zinc/24/15/12/473241512.db2.gz WBHAFGSIKJORBN-UHFFFAOYSA-N 1 0 326.360 2.645 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184877572 473261420 /nfs/dbraw/zinc/26/14/20/473261420.db2.gz KCLYPPAFFGTAII-WQGACYEGSA-N 1 0 337.395 2.682 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292480 /nfs/dbraw/zinc/29/24/80/473292480.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 1 0 340.427 2.944 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162237813 473320305 /nfs/dbraw/zinc/32/03/05/473320305.db2.gz OIZZYBLSENKOLB-KOLCDFICSA-N 1 0 329.194 2.872 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162530427 473353128 /nfs/dbraw/zinc/35/31/28/473353128.db2.gz NIQMWXNSTNUOGM-AWEZNQCLSA-N 1 0 327.384 2.984 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000171430808 473385427 /nfs/dbraw/zinc/38/54/27/473385427.db2.gz YTJBLEODUUXDAR-MRXNPFEDSA-N 1 0 348.447 2.999 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599936467 479474981 /nfs/dbraw/zinc/47/49/81/479474981.db2.gz WGAGDZZBNULKFH-BHYGNILZSA-N 1 0 346.431 2.624 10 5 EFBERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599934975 479475410 /nfs/dbraw/zinc/47/54/10/479475410.db2.gz TZBIYRIEELQRDR-FVQBIDKESA-N 1 0 346.431 2.624 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903627 479503649 /nfs/dbraw/zinc/50/36/49/479503649.db2.gz IJRABXIEWKQOMK-DLBZAZTESA-N 1 0 331.416 2.564 10 5 EFBERO C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000000001887 471317949 /nfs/dbraw/zinc/31/79/49/471317949.db2.gz DMXLLYHBWUOZCZ-UHFFFAOYSA-N 1 0 340.443 2.705 10 5 in-man EFBERO C[NH+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3sc12 ZINC000005957879 471527448 /nfs/dbraw/zinc/52/74/48/471527448.db2.gz GSRITSVNVVVOBJ-UHFFFAOYSA-N 1 0 326.421 2.706 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816868 471640200 /nfs/dbraw/zinc/64/02/00/471640200.db2.gz NPNKEMVBRUECBA-KRWDZBQOSA-N 1 0 327.384 2.556 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000053639334 472026429 /nfs/dbraw/zinc/02/64/29/472026429.db2.gz NQMDMGYUXQTNQV-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132374 472139148 /nfs/dbraw/zinc/13/91/48/472139148.db2.gz FDCOERUCZSCMNK-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068203188 472149035 /nfs/dbraw/zinc/14/90/35/472149035.db2.gz NUGHSCDBFLZFDZ-CQSZACIVSA-N 1 0 344.415 2.540 10 5 EFBERO C[NH+](C)CCN1C(=O)c2cccc3cc4cc(N)ccc4c(c32)C1=O ZINC000027556565 472181148 /nfs/dbraw/zinc/18/11/48/472181148.db2.gz SSVDSGCXTCHMHE-UHFFFAOYSA-N 1 0 333.391 2.733 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000075718688 472188624 /nfs/dbraw/zinc/18/86/24/472188624.db2.gz BFKBLJBTCJFVLQ-IAGOWNOFSA-N 1 0 346.475 2.758 10 5 EFBERO CC(C)c1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000075757434 472194901 /nfs/dbraw/zinc/19/49/01/472194901.db2.gz MSKPEXPGMRBIOZ-UHFFFAOYSA-N 1 0 331.372 2.717 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000043086147 472198125 /nfs/dbraw/zinc/19/81/25/472198125.db2.gz GELWEBHXRVFLIN-WDEREUQCSA-N 1 0 325.434 2.957 10 5 EFBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccc4ncccc4c3nc21 ZINC000027849013 472198948 /nfs/dbraw/zinc/19/89/48/472198948.db2.gz DRTBQMWANUBJEP-UHFFFAOYSA-N 1 0 345.406 2.623 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068911200 472263794 /nfs/dbraw/zinc/26/37/94/472263794.db2.gz YZVKZBKNHVJWFM-ZDUSSCGKSA-N 1 0 330.388 2.666 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000031825524 472398415 /nfs/dbraw/zinc/39/84/15/472398415.db2.gz NCIGYPXSEQVYEN-OLZOCXBDSA-N 1 0 339.461 2.922 10 5 EFBERO COc1c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1C ZINC000154313327 472416037 /nfs/dbraw/zinc/41/60/37/472416037.db2.gz UEWUYVQVDUWRFY-UHFFFAOYSA-N 1 0 330.388 2.810 10 5 EFBERO CCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097162498 472469925 /nfs/dbraw/zinc/46/99/25/472469925.db2.gz QGHVMWIUMBROHW-UHFFFAOYSA-N 1 0 325.796 2.806 10 5 EFBERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000045905388 472483440 /nfs/dbraw/zinc/48/34/40/472483440.db2.gz IYHPDCDVXPMSBG-UHFFFAOYSA-N 1 0 344.371 2.582 10 5 EFBERO CC[NH+](CC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000070925061 472523473 /nfs/dbraw/zinc/52/34/73/472523473.db2.gz BDPIADFSEPFXCL-UHFFFAOYSA-N 1 0 334.401 2.999 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155614546 472581532 /nfs/dbraw/zinc/58/15/32/472581532.db2.gz OGNYNRNUALONIR-RISCZKNCSA-N 1 0 337.445 2.775 10 5 EFBERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000090068475 472589563 /nfs/dbraw/zinc/58/95/63/472589563.db2.gz OTPOUSJDBRQOCP-FZMZJTMJSA-N 1 0 332.360 2.959 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000155677020 472593231 /nfs/dbraw/zinc/59/32/31/472593231.db2.gz KSSNUYPTNQRDDY-WBMJQRKESA-N 1 0 346.431 2.628 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130367477 472601859 /nfs/dbraw/zinc/60/18/59/472601859.db2.gz JWGVFKXCWGJXPG-ZDUSSCGKSA-N 1 0 344.415 2.849 10 5 EFBERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224244 472609793 /nfs/dbraw/zinc/60/97/93/472609793.db2.gz MVAKXBFODJFOOC-HOTGVXAUSA-N 1 0 341.415 2.941 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046949242 472628224 /nfs/dbraw/zinc/62/82/24/472628224.db2.gz NOEGSVMMAJHGOZ-INIZCTEOSA-N 1 0 334.420 2.539 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000046991593 472636913 /nfs/dbraw/zinc/63/69/13/472636913.db2.gz YPTVQWICLFGSNV-ZDUSSCGKSA-N 1 0 334.420 2.540 10 5 EFBERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090591906 472641326 /nfs/dbraw/zinc/64/13/26/472641326.db2.gz KERKIAVSPRILCG-HOTGVXAUSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H]1CCCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000072510455 472669754 /nfs/dbraw/zinc/66/97/54/472669754.db2.gz SYLXUEJKEYYWLK-AWEZNQCLSA-N 1 0 348.447 2.513 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000104404696 472670686 /nfs/dbraw/zinc/67/06/86/472670686.db2.gz LIWWLGCFTUGFKX-VMPITWQZSA-N 1 0 329.400 2.695 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258575 472679620 /nfs/dbraw/zinc/67/96/20/472679620.db2.gz CAQFQSSRMPOQQA-UHFFFAOYSA-N 1 0 327.388 2.512 10 5 EFBERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000072716340 472705384 /nfs/dbraw/zinc/70/53/84/472705384.db2.gz ZDLBVQSBLGXSCW-OAHLLOKOSA-N 1 0 347.415 2.957 10 5 EFBERO Cc1cnc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078669919 472751332 /nfs/dbraw/zinc/75/13/32/472751332.db2.gz WPKFRTIAVVNYGD-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803860 472778537 /nfs/dbraw/zinc/77/85/37/472778537.db2.gz JRFXMFQVSUFZSE-KRWDZBQOSA-N 1 0 341.415 2.528 10 5 EFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000105884802 472796407 /nfs/dbraw/zinc/79/64/07/472796407.db2.gz RGQRIWXRLDBPRD-INIZCTEOSA-N 1 0 329.404 2.715 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133534387 472815445 /nfs/dbraw/zinc/81/54/45/472815445.db2.gz OJVWFEQSXABDOP-MXCDDWKTSA-N 1 0 345.399 2.818 10 5 EFBERO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000064310133 472841881 /nfs/dbraw/zinc/84/18/81/472841881.db2.gz SVSCMKUKSAXXLP-UHFFFAOYSA-N 1 0 325.434 2.911 10 5 EFBERO Cc1c(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121763228 472908178 /nfs/dbraw/zinc/90/81/78/472908178.db2.gz VKDFSMHJDVNOSM-KRWDZBQOSA-N 1 0 345.443 2.923 10 5 EFBERO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000107497086 472959590 /nfs/dbraw/zinc/95/95/90/472959590.db2.gz QNTHNVZFQZTPGF-OAHLLOKOSA-N 1 0 341.415 2.967 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000122179154 472985415 /nfs/dbraw/zinc/98/54/15/472985415.db2.gz QRAYJVYIWAQJDI-BBRMVZONSA-N 1 0 348.447 2.829 10 5 EFBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566509 473040035 /nfs/dbraw/zinc/04/00/35/473040035.db2.gz DNJJNYNDOGQESE-JSGCOSHPSA-N 1 0 343.383 2.941 10 5 EFBERO Cc1c(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000122801418 473058924 /nfs/dbraw/zinc/05/89/24/473058924.db2.gz UKFNGPOWXPAFBY-UHFFFAOYSA-N 1 0 345.443 2.780 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122956382 473078258 /nfs/dbraw/zinc/07/82/58/473078258.db2.gz FCBMMIURZPFFLZ-ZDUSSCGKSA-N 1 0 336.392 2.551 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000123071532 473094237 /nfs/dbraw/zinc/09/42/37/473094237.db2.gz DFZKXZQVODRJCS-UHFFFAOYSA-N 1 0 348.403 2.696 10 5 EFBERO O=[N+]([O-])c1c(N2CCC(C[NH+]3CCCC3)CC2)nc2sccn21 ZINC000052357565 473101734 /nfs/dbraw/zinc/10/17/34/473101734.db2.gz XJFNODHGYPHSQR-UHFFFAOYSA-N 1 0 335.433 2.616 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000160419666 473120642 /nfs/dbraw/zinc/12/06/42/473120642.db2.gz DAAYMNFBDTVYIX-YGRLFVJLSA-N 1 0 341.358 2.675 10 5 EFBERO Cc1c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000109818955 473127809 /nfs/dbraw/zinc/12/78/09/473127809.db2.gz PVDPSYVLESYVRD-QGZVFWFLSA-N 1 0 333.432 2.590 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000160557333 473141906 /nfs/dbraw/zinc/14/19/06/473141906.db2.gz BIHOUPAQITYHLX-GFCCVEGCSA-N 1 0 325.434 2.815 10 5 EFBERO COc1ccc(C[N@@H+]2CCCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000066797436 473153954 /nfs/dbraw/zinc/15/39/54/473153954.db2.gz ZICIQJHIORCYJV-UHFFFAOYSA-N 1 0 342.399 2.711 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930657 473164650 /nfs/dbraw/zinc/16/46/50/473164650.db2.gz JQHRIVYOBKQYSJ-BBRMVZONSA-N 1 0 331.416 2.894 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)nc2c1 ZINC000160719509 473165914 /nfs/dbraw/zinc/16/59/14/473165914.db2.gz AGBPJQPSEHASLP-SJKOYZFVSA-N 1 0 331.372 2.863 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000161044670 473201628 /nfs/dbraw/zinc/20/16/28/473201628.db2.gz DMCSRXRTLAVSOK-QAPCUYQASA-N 1 0 348.399 2.588 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177518221 473394166 /nfs/dbraw/zinc/39/41/66/473394166.db2.gz KRSQGTFPYFCFBJ-ZIAGYGMSSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185348921 473402502 /nfs/dbraw/zinc/40/25/02/473402502.db2.gz GTZKNQCTJNIGHB-GFCCVEGCSA-N 1 0 343.811 2.526 10 5 EFBERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185348906 473402546 /nfs/dbraw/zinc/40/25/46/473402546.db2.gz GTZKNQCTJNIGHB-LBPRGKRZSA-N 1 0 343.811 2.526 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655846 473481159 /nfs/dbraw/zinc/48/11/59/473481159.db2.gz RTBQDDHUYBIOBR-QWHCGFSZSA-N 1 0 326.418 2.720 10 5 EFBERO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165836171 473516579 /nfs/dbraw/zinc/51/65/79/473516579.db2.gz IQNDBRBMSUUAQD-VIFPVBQESA-N 1 0 331.214 2.990 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000126563000 473527696 /nfs/dbraw/zinc/52/76/96/473527696.db2.gz KVQHICAIYHALSV-JKSUJKDBSA-N 1 0 331.416 2.531 10 5 EFBERO COc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758540 473542840 /nfs/dbraw/zinc/54/28/40/473542840.db2.gz QMBCOQDBIZJDNP-SFHVURJKSA-N 1 0 344.367 2.883 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115255765 473548775 /nfs/dbraw/zinc/54/87/75/473548775.db2.gz ULDGJWHHABYEEN-UHFFFAOYSA-N 1 0 346.431 2.635 10 5 EFBERO O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3cc(F)ccc3F)C2)n1 ZINC000191687148 473568745 /nfs/dbraw/zinc/56/87/45/473568745.db2.gz OUWOLLXIRNHXLW-LBPRGKRZSA-N 1 0 336.342 2.949 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127046233 473571550 /nfs/dbraw/zinc/57/15/50/473571550.db2.gz MKAJZFBCXXAEDU-CYBMUJFWSA-N 1 0 342.399 2.634 10 5 EFBERO CCN(CC)[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000127555198 473625999 /nfs/dbraw/zinc/62/59/99/473625999.db2.gz KNFJRJXHEIXTDI-ZIAGYGMSSA-N 1 0 336.436 2.632 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000127601981 473631288 /nfs/dbraw/zinc/63/12/88/473631288.db2.gz QZJWRLYIOSVLNR-RHSMWYFYSA-N 1 0 348.447 2.728 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153676520 473636636 /nfs/dbraw/zinc/63/66/36/473636636.db2.gz OKCLJCHRJBYAEL-ZDUSSCGKSA-N 1 0 344.415 2.609 10 5 EFBERO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153688997 473637252 /nfs/dbraw/zinc/63/72/52/473637252.db2.gz PTWPQYDTGNPBQW-AWEZNQCLSA-N 1 0 327.375 2.799 10 5 EFBERO CSc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186520190 473685470 /nfs/dbraw/zinc/68/54/70/473685470.db2.gz DFTOXHCVXUGGJM-LBPRGKRZSA-N 1 0 335.429 2.673 10 5 EFBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186553068 473689191 /nfs/dbraw/zinc/68/91/91/473689191.db2.gz MIOZABAMBZPPLK-AWEZNQCLSA-N 1 0 344.415 2.526 10 5 EFBERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281479497 473734949 /nfs/dbraw/zinc/73/49/49/473734949.db2.gz SFNUTDOUYZBJEL-IRXDYDNUSA-N 1 0 330.388 2.589 10 5 EFBERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000281532131 473755921 /nfs/dbraw/zinc/75/59/21/473755921.db2.gz WHEJBVCTYWLBDH-QGZVFWFLSA-N 1 0 330.388 2.934 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000281568299 473768763 /nfs/dbraw/zinc/76/87/63/473768763.db2.gz MBQKCUUVZXNHLE-CABCVRRESA-N 1 0 349.431 2.613 10 5 EFBERO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331501 473781542 /nfs/dbraw/zinc/78/15/42/473781542.db2.gz CEPRSKKFGPBIQE-OAHLLOKOSA-N 1 0 334.347 2.606 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180169366 473816622 /nfs/dbraw/zinc/81/66/22/473816622.db2.gz GMGGGULPMSXVNC-HKUYNNGSSA-N 1 0 339.395 2.699 10 5 EFBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369323 473817810 /nfs/dbraw/zinc/81/78/10/473817810.db2.gz GNJFJOQTHWPMBO-OCCSQVGLSA-N 1 0 329.404 2.975 10 5 EFBERO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173464931 473846499 /nfs/dbraw/zinc/84/64/99/473846499.db2.gz HBMCNYGUZXICCH-BBRMVZONSA-N 1 0 333.432 2.960 10 5 EFBERO COc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000187383414 473864553 /nfs/dbraw/zinc/86/45/53/473864553.db2.gz FTYUXUMEICTUAY-UHFFFAOYSA-N 1 0 340.383 2.822 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173655822 473906303 /nfs/dbraw/zinc/90/63/03/473906303.db2.gz PRMXZLHZXYJULM-OAHLLOKOSA-N 1 0 346.387 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288459985 473949596 /nfs/dbraw/zinc/94/95/96/473949596.db2.gz DTSBGIVNJUDVRW-HOCLYGCPSA-N 1 0 334.759 2.832 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000246755687 473953833 /nfs/dbraw/zinc/95/38/33/473953833.db2.gz BNTVPERQSROUCE-WMLDXEAASA-N 1 0 348.447 2.632 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188061781 473968016 /nfs/dbraw/zinc/96/80/16/473968016.db2.gz OTQPZTOZAGUEGL-WYMLVPIESA-N 1 0 331.416 2.941 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000246854817 473983547 /nfs/dbraw/zinc/98/35/47/473983547.db2.gz CQYDMNWPGZHISQ-OCCSQVGLSA-N 1 0 342.399 2.775 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000246955510 474016082 /nfs/dbraw/zinc/01/60/82/474016082.db2.gz MHEASXCMXGIACK-GJZGRUSLSA-N 1 0 347.415 2.692 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000246981061 474024340 /nfs/dbraw/zinc/02/43/40/474024340.db2.gz GIDBOTILOIMKEC-XHDPSFHLSA-N 1 0 332.404 2.620 10 5 EFBERO COCCN1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011607 474034509 /nfs/dbraw/zinc/03/45/09/474034509.db2.gz MGBMMFWEVIRUEZ-ZWKOTPCHSA-N 1 0 347.459 2.616 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247037849 474043423 /nfs/dbraw/zinc/04/34/23/474043423.db2.gz UZQVYBIQEWRFMP-OLZOCXBDSA-N 1 0 337.807 2.947 10 5 EFBERO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1C ZINC000188293283 474047587 /nfs/dbraw/zinc/04/75/87/474047587.db2.gz OLLRHXOGUOWMEW-GOOCMWNKSA-N 1 0 347.415 2.657 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)nc2c1 ZINC000247115739 474068235 /nfs/dbraw/zinc/06/82/35/474068235.db2.gz AGBPJQPSEHASLP-YVEFUNNKSA-N 1 0 331.372 2.863 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000247157967 474077521 /nfs/dbraw/zinc/07/75/21/474077521.db2.gz NXDXQGXDHQDOMM-STQMWFEESA-N 1 0 337.445 2.533 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247426477 474144818 /nfs/dbraw/zinc/14/48/18/474144818.db2.gz OIPFCRZJCWKAKF-GOEBONIOSA-N 1 0 348.447 2.586 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247440036 474148146 /nfs/dbraw/zinc/14/81/46/474148146.db2.gz RXUXPRRYEHLRSW-CABCVRRESA-N 1 0 349.431 2.517 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017037 474164069 /nfs/dbraw/zinc/16/40/69/474164069.db2.gz XULFHWKFMQCHCR-FZMZJTMJSA-N 1 0 329.356 2.650 10 5 EFBERO [NH3+]CCCCCCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000221973049 474164406 /nfs/dbraw/zinc/16/44/06/474164406.db2.gz KWNLTCOFYKZAOP-UHFFFAOYSA-N 1 0 329.422 2.636 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175361677 474197880 /nfs/dbraw/zinc/19/78/80/474197880.db2.gz ICEKBHAKROOAAI-HNNXBMFYSA-N 1 0 345.403 2.561 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248040775 474249644 /nfs/dbraw/zinc/24/96/44/474249644.db2.gz MAPZNPMBEHBYRN-IAGOWNOFSA-N 1 0 325.368 2.770 10 5 EFBERO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000265578300 474259576 /nfs/dbraw/zinc/25/95/76/474259576.db2.gz WDBXMFRCHBLJII-QWRGUYRKSA-N 1 0 328.800 2.554 10 5 EFBERO C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413782 474260922 /nfs/dbraw/zinc/26/09/22/474260922.db2.gz AMHQBLUIMOGWTJ-SJKOYZFVSA-N 1 0 337.395 2.985 10 5 EFBERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@H]21 ZINC000248169031 474276165 /nfs/dbraw/zinc/27/61/65/474276165.db2.gz UJJMLNCEDCJCSC-YVEFUNNKSA-N 1 0 342.399 2.632 10 5 EFBERO CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175846170 474323236 /nfs/dbraw/zinc/32/32/36/474323236.db2.gz HEKYHIJCLCFZMP-SUMWQHHRSA-N 1 0 346.431 2.829 10 5 EFBERO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183243217 474357878 /nfs/dbraw/zinc/35/78/78/474357878.db2.gz STTIYDILDAHELC-UHFFFAOYSA-N 1 0 327.384 2.895 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000183267673 474362741 /nfs/dbraw/zinc/36/27/41/474362741.db2.gz DKAIZDRWUGSCAA-MRXNPFEDSA-N 1 0 331.416 2.641 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000248572982 474363411 /nfs/dbraw/zinc/36/34/11/474363411.db2.gz CYVQAPWVOVJUOW-NVXWUHKLSA-N 1 0 344.415 2.582 10 5 EFBERO CO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000289662516 474366736 /nfs/dbraw/zinc/36/67/36/474366736.db2.gz YPWSNVLVGKZBHV-IYBDPMFKSA-N 1 0 330.388 2.605 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000183331896 474373481 /nfs/dbraw/zinc/37/34/81/474373481.db2.gz KAJNHFWMHBUMJO-KRWDZBQOSA-N 1 0 341.415 2.794 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237355741 474387748 /nfs/dbraw/zinc/38/77/48/474387748.db2.gz CYUHUZBAFWBHDN-DPORPMIOSA-N 1 0 349.456 2.817 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248649243 474394017 /nfs/dbraw/zinc/39/40/17/474394017.db2.gz RGJGXCQLSVHNLC-KGLIPLIRSA-N 1 0 332.404 2.912 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cncn1 ZINC000271074582 474396325 /nfs/dbraw/zinc/39/63/25/474396325.db2.gz GCLUALJZPWRWBN-CHWSQXEVSA-N 1 0 335.433 2.735 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cncn1 ZINC000271074584 474397269 /nfs/dbraw/zinc/39/72/69/474397269.db2.gz GCLUALJZPWRWBN-OLZOCXBDSA-N 1 0 335.433 2.735 10 5 EFBERO COC(=O)c1cc(NC[C@H](C)C[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000189454066 474403310 /nfs/dbraw/zinc/40/33/10/474403310.db2.gz DTBNKMBCZDKXLX-LBPRGKRZSA-N 1 0 335.404 2.834 10 5 EFBERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176197309 474406700 /nfs/dbraw/zinc/40/67/00/474406700.db2.gz RNQNKSMPLRKMBQ-HNNXBMFYSA-N 1 0 346.387 2.646 10 5 EFBERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220664 474414072 /nfs/dbraw/zinc/41/40/72/474414072.db2.gz BYYLRARJJKISFC-HNNXBMFYSA-N 1 0 330.388 2.507 10 5 EFBERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220684 474414224 /nfs/dbraw/zinc/41/42/24/474414224.db2.gz BYYLRARJJKISFC-OAHLLOKOSA-N 1 0 330.388 2.507 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248722671 474415328 /nfs/dbraw/zinc/41/53/28/474415328.db2.gz GFHSFFFAEQDJFH-NVXWUHKLSA-N 1 0 340.383 2.551 10 5 EFBERO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000176237739 474419005 /nfs/dbraw/zinc/41/90/05/474419005.db2.gz KLVSPTIEPZUDAJ-AWEZNQCLSA-N 1 0 332.404 2.753 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000176494012 474487181 /nfs/dbraw/zinc/48/71/81/474487181.db2.gz VFYYAUDASOQLQY-XEZPLFJOSA-N 1 0 334.420 2.684 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCS(=O)(=O)CC1 ZINC000271328396 474493840 /nfs/dbraw/zinc/49/38/40/474493840.db2.gz VEAHJVASGFBTHZ-UHFFFAOYSA-N 1 0 340.445 2.630 10 5 EFBERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000271390917 474523209 /nfs/dbraw/zinc/52/32/09/474523209.db2.gz TYAXQLCBMLLEMY-GFCCVEGCSA-N 1 0 346.412 2.566 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737358 474523621 /nfs/dbraw/zinc/52/36/21/474523621.db2.gz OEQJPELUGQYTFJ-HOCLYGCPSA-N 1 0 344.415 2.620 10 5 EFBERO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266912364 474527477 /nfs/dbraw/zinc/52/74/77/474527477.db2.gz WTIHDGSERIPCEZ-HUUCEWRRSA-N 1 0 330.384 2.994 10 5 EFBERO CSc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000249131822 474535004 /nfs/dbraw/zinc/53/50/04/474535004.db2.gz LZNBQBRWBRGJMM-NEPJUHHUSA-N 1 0 335.429 2.625 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000249627382 474600647 /nfs/dbraw/zinc/60/06/47/474600647.db2.gz QISSFRRUYKOQCL-CABCVRRESA-N 1 0 347.415 2.611 10 5 EFBERO CCc1nccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184758497 474602022 /nfs/dbraw/zinc/60/20/22/474602022.db2.gz IYLSUALUKFJBAR-ZDUSSCGKSA-N 1 0 344.371 2.537 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000184763983 474602724 /nfs/dbraw/zinc/60/27/24/474602724.db2.gz RAMCVHHZOMEUCF-HOTGVXAUSA-N 1 0 333.432 2.764 10 5 EFBERO COc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914856 474640258 /nfs/dbraw/zinc/64/02/58/474640258.db2.gz HIALLCURJAZCGY-KBPBESRZSA-N 1 0 346.383 2.694 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518030 474676720 /nfs/dbraw/zinc/67/67/20/474676720.db2.gz SBKFKNWTQBNZNO-ZBFHGGJFSA-N 1 0 343.431 2.956 10 5 EFBERO Cc1nc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252512292 474691066 /nfs/dbraw/zinc/69/10/66/474691066.db2.gz OWSOHGRCOGBKKM-BPLDGKMQSA-N 1 0 334.420 2.600 10 5 EFBERO Cc1ccccc1N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338887660 474703577 /nfs/dbraw/zinc/70/35/77/474703577.db2.gz SYMWBAXHMDMNKC-UHFFFAOYSA-N 1 0 327.384 2.931 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000338894538 474709406 /nfs/dbraw/zinc/70/94/06/474709406.db2.gz JMTPKGAKLLCTAF-UHFFFAOYSA-N 1 0 345.346 2.610 10 5 EFBERO C[C@H]1CN(Cc2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)CCO1 ZINC000344414877 474733539 /nfs/dbraw/zinc/73/35/39/474733539.db2.gz GYQXZVZVDGJBTP-AWEZNQCLSA-N 1 0 342.399 2.823 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278659416 474761737 /nfs/dbraw/zinc/76/17/37/474761737.db2.gz HRQZSHWLDXIZJA-AAEUAGOBSA-N 1 0 348.321 2.609 10 5 EFBERO O=[N+]([O-])c1cnccc1NCCN1CCc2c(Cl)cccc2C1 ZINC000340930361 474787428 /nfs/dbraw/zinc/78/74/28/474787428.db2.gz SAWQGSFJHCVCRY-UHFFFAOYSA-N 1 0 332.791 2.535 10 5 EFBERO COCCN1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799733 474794923 /nfs/dbraw/zinc/79/49/23/474794923.db2.gz ZFTSEWRUUCFJHA-VHUCWBOISA-N 1 0 333.432 2.699 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278730583 474800871 /nfs/dbraw/zinc/80/08/71/474800871.db2.gz LDWCRXYYWJRJOY-NEPJUHHUSA-N 1 0 348.321 2.609 10 5 EFBERO Cc1cnn(C[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112813 474804782 /nfs/dbraw/zinc/80/47/82/474804782.db2.gz LWBFCMFODWYEIU-AATOQMJSSA-N 1 0 342.399 2.514 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292163550 474881985 /nfs/dbraw/zinc/88/19/85/474881985.db2.gz JIZMGLRJZBCBAG-BJRSVTDJSA-N 1 0 329.400 2.552 10 5 EFBERO COc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000339055289 474887318 /nfs/dbraw/zinc/88/73/18/474887318.db2.gz HXCWDMBWBVILCU-INIZCTEOSA-N 1 0 349.431 2.685 10 5 EFBERO COc1cc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1F ZINC000268253467 474887893 /nfs/dbraw/zinc/88/78/93/474887893.db2.gz ZYIPETUHJCDFLJ-CQSZACIVSA-N 1 0 329.397 2.592 10 5 EFBERO COc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341035218 474901204 /nfs/dbraw/zinc/90/12/04/474901204.db2.gz IKGQHQNATQWCRO-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860534 480134090 /nfs/dbraw/zinc/13/40/90/480134090.db2.gz OBLBWENPPKFRGC-SNVBAGLBSA-N 1 0 346.309 2.829 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000341063779 474933661 /nfs/dbraw/zinc/93/36/61/474933661.db2.gz FCYVOLINCFTIII-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341069106 474938782 /nfs/dbraw/zinc/93/87/82/474938782.db2.gz NUCVPRBAPLZZFX-STQMWFEESA-N 1 0 335.404 2.596 10 5 EFBERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339149536 474977093 /nfs/dbraw/zinc/97/70/93/474977093.db2.gz SBKLGVZYASPWDD-HZMBPMFUSA-N 1 0 348.321 2.585 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124716 475000286 /nfs/dbraw/zinc/00/02/86/475000286.db2.gz OVBVJHMXSSAXPD-GASCZTMLSA-N 1 0 348.447 2.699 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124320 475001281 /nfs/dbraw/zinc/00/12/81/475001281.db2.gz VITLENZRJLTCAR-KBPBESRZSA-N 1 0 334.420 2.657 10 5 EFBERO COC(=O)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268478156 475004136 /nfs/dbraw/zinc/00/41/36/475004136.db2.gz KCXJAEZHOLVXMH-AWEZNQCLSA-N 1 0 347.415 2.754 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341130195 475005565 /nfs/dbraw/zinc/00/55/65/475005565.db2.gz RHYQKRNWUAYHFZ-BETUJISGSA-N 1 0 334.420 2.629 10 5 EFBERO CC(=O)NC1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000268880752 475048653 /nfs/dbraw/zinc/04/86/53/475048653.db2.gz WTRXSEDDYRIRIM-NVPAJSRCSA-N 1 0 333.432 2.953 10 5 EFBERO CC[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000339242236 475071826 /nfs/dbraw/zinc/07/18/26/475071826.db2.gz SOAYCTKGSKPCAC-KRWDZBQOSA-N 1 0 342.399 2.933 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261876145 475094824 /nfs/dbraw/zinc/09/48/24/475094824.db2.gz XZSWJFZVAGEEID-KRWDZBQOSA-N 1 0 345.374 2.889 10 5 EFBERO C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552571 475137891 /nfs/dbraw/zinc/13/78/91/475137891.db2.gz HCLPDAWTRRDNSW-KDOFPFPSSA-N 1 0 339.395 2.874 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354327 480152407 /nfs/dbraw/zinc/15/24/07/480152407.db2.gz VCRXHNUWWDWABU-VXGBXAGGSA-N 1 0 345.403 2.918 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357881609 475228577 /nfs/dbraw/zinc/22/85/77/475228577.db2.gz RZRJAKSHRIYQJD-UHFFFAOYSA-N 1 0 342.399 2.823 10 5 EFBERO Cn1c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345569621 475274131 /nfs/dbraw/zinc/27/41/31/475274131.db2.gz OAZFDKRZTXQGED-ZDUSSCGKSA-N 1 0 344.371 2.571 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000361254128 475305708 /nfs/dbraw/zinc/30/57/08/475305708.db2.gz WEEBYIJYIPGDTG-CQSZACIVSA-N 1 0 343.358 2.937 10 5 EFBERO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000358154530 475446115 /nfs/dbraw/zinc/44/61/15/475446115.db2.gz KBFXNHDCFOXYPH-UMAGBFNSSA-N 1 0 345.443 2.940 10 5 EFBERO NC(=O)C1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000358154532 475446558 /nfs/dbraw/zinc/44/65/58/475446558.db2.gz KBFXNHDCFOXYPH-VLVHBFOGSA-N 1 0 345.443 2.940 10 5 EFBERO CC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358162330 475451624 /nfs/dbraw/zinc/45/16/24/475451624.db2.gz HFDBRMAHUHUXMA-KRWDZBQOSA-N 1 0 346.431 2.997 10 5 EFBERO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358226151 475507077 /nfs/dbraw/zinc/50/70/77/475507077.db2.gz CUXSHSKMEIXSHS-MRXNPFEDSA-N 1 0 330.388 2.809 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000342024829 475514274 /nfs/dbraw/zinc/51/42/74/475514274.db2.gz ULGQHZVABYIHPN-RDTXWAMCSA-N 1 0 347.415 2.733 10 5 EFBERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000296944230 475546281 /nfs/dbraw/zinc/54/62/81/475546281.db2.gz NBCRYNGMZRRCAA-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000352776297 475612021 /nfs/dbraw/zinc/61/20/21/475612021.db2.gz BPAIOZUMTDNHCQ-CZUORRHYSA-N 1 0 330.388 2.883 10 5 EFBERO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423511 475657914 /nfs/dbraw/zinc/65/79/14/475657914.db2.gz VGKMVTWUZFECCE-CABCVRRESA-N 1 0 340.445 2.783 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358458258 475692939 /nfs/dbraw/zinc/69/29/39/475692939.db2.gz NDSOYBUKVLFJKA-UHFFFAOYSA-N 1 0 332.404 2.985 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)C1CC1 ZINC000348640490 475794588 /nfs/dbraw/zinc/79/45/88/475794588.db2.gz IPRPAMSCPYSFPJ-ZWKOTPCHSA-N 1 0 341.411 2.677 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1cccnc1)CCC2 ZINC000348643820 475797526 /nfs/dbraw/zinc/79/75/26/475797526.db2.gz OWLXYRRFPBEGBN-QAPCUYQASA-N 1 0 327.384 2.733 10 5 EFBERO O=[N+]([O-])c1cnccc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340153038 475806510 /nfs/dbraw/zinc/80/65/10/475806510.db2.gz VRGZBWGDUCSVMX-MRXNPFEDSA-N 1 0 326.400 2.878 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000358649646 475836263 /nfs/dbraw/zinc/83/62/63/475836263.db2.gz JIEWRTGTGGULAB-UHFFFAOYSA-N 1 0 336.367 2.872 10 5 EFBERO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340188181 475838010 /nfs/dbraw/zinc/83/80/10/475838010.db2.gz DSPUCRVQEFJITH-CQSZACIVSA-N 1 0 331.416 2.568 10 5 EFBERO Cc1c(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000358694367 475865559 /nfs/dbraw/zinc/86/55/59/475865559.db2.gz ROKKEHPONGWNDL-HNNXBMFYSA-N 1 0 336.436 2.679 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353326371 475871664 /nfs/dbraw/zinc/87/16/64/475871664.db2.gz BZEDXRGGEZBIDH-CQSZACIVSA-N 1 0 341.358 2.865 10 5 EFBERO Cc1c(Cc2noc(CC3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000346872359 475928079 /nfs/dbraw/zinc/92/80/79/475928079.db2.gz GNQATGVBNUMXGA-UHFFFAOYSA-N 1 0 330.388 2.761 10 5 EFBERO COc1ccc(OCC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298245685 476032771 /nfs/dbraw/zinc/03/27/71/476032771.db2.gz JQHNFPYXTBIYLV-CABCVRRESA-N 1 0 342.342 2.959 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347017571 476036696 /nfs/dbraw/zinc/03/66/96/476036696.db2.gz POMPVULPZIPSQV-ZDUSSCGKSA-N 1 0 335.429 2.625 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000340538925 476094075 /nfs/dbraw/zinc/09/40/75/476094075.db2.gz HDQXMGNJTWMGOV-SJWGOKEGSA-N 1 0 330.388 2.861 10 5 EFBERO C[C@@H](CCC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000336678725 476124878 /nfs/dbraw/zinc/12/48/78/476124878.db2.gz CXXZPVDDFCQIEL-QMMMGPOBSA-N 1 0 349.172 2.739 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000353644625 476150480 /nfs/dbraw/zinc/15/04/80/476150480.db2.gz ANLJVWBQWSPOLA-UHFFFAOYSA-N 1 0 335.404 2.517 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000359084967 476174864 /nfs/dbraw/zinc/17/48/64/476174864.db2.gz SBOQJFLMPPCGRE-CVEARBPZSA-N 1 0 348.447 2.786 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000344322097 476250397 /nfs/dbraw/zinc/25/03/97/476250397.db2.gz GKWLDMSWDBQLGF-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CCC2CCCC2)cc1[N+](=O)[O-] ZINC000353761313 476253906 /nfs/dbraw/zinc/25/39/06/476253906.db2.gz BWRRCHZQNFYFLY-UHFFFAOYSA-N 1 0 336.388 2.817 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000362447383 476257923 /nfs/dbraw/zinc/25/79/23/476257923.db2.gz KQQUOHPUKCVXDX-HIFRSBDPSA-N 1 0 344.371 2.646 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ncsc2c1 ZINC000362573480 476314425 /nfs/dbraw/zinc/31/44/25/476314425.db2.gz SYKOYSSAZARPEX-NSHDSACASA-N 1 0 344.396 2.717 10 5 EFBERO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1csc([N+](=O)[O-])c1 ZINC000354117920 476439725 /nfs/dbraw/zinc/43/97/25/476439725.db2.gz UECYFISGCVVJPE-KBPBESRZSA-N 1 0 325.434 2.878 10 5 EFBERO O=[N+]([O-])c1cnccc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000360910586 476470634 /nfs/dbraw/zinc/47/06/34/476470634.db2.gz VSLBLYZDQBVZRY-UHFFFAOYSA-N 1 0 346.416 2.534 10 5 EFBERO Cc1ccc(C(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000362917561 476479726 /nfs/dbraw/zinc/47/97/26/476479726.db2.gz KNXWECXMSYNMMQ-UHFFFAOYSA-N 1 0 342.399 2.695 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000363681615 476493225 /nfs/dbraw/zinc/49/32/25/476493225.db2.gz CONJGMSQFXSSED-CVEARBPZSA-N 1 0 331.416 2.992 10 5 EFBERO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000369767113 476515224 /nfs/dbraw/zinc/51/52/24/476515224.db2.gz QEMGSLPXIRBGBO-CVEARBPZSA-N 1 0 331.416 2.761 10 5 EFBERO COc1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000361044499 476563843 /nfs/dbraw/zinc/56/38/43/476563843.db2.gz LUKAYNUEPFHMMJ-UHFFFAOYSA-N 1 0 330.388 2.506 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000377766773 476569736 /nfs/dbraw/zinc/56/97/36/476569736.db2.gz LVLQGANIZVBLIZ-IUODEOHRSA-N 1 0 333.388 2.806 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)cc1[N+](=O)[O-] ZINC000354372369 476618304 /nfs/dbraw/zinc/61/83/04/476618304.db2.gz NBRMKWJPSYTGCJ-HNNXBMFYSA-N 1 0 349.431 2.988 10 5 EFBERO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000375244479 476735699 /nfs/dbraw/zinc/73/56/99/476735699.db2.gz GQFZTOGMINFJAH-UHFFFAOYSA-N 1 0 338.367 2.907 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000375300038 476764232 /nfs/dbraw/zinc/76/42/32/476764232.db2.gz STWHUXVZQWFLRU-LJQANCHMSA-N 1 0 337.379 2.999 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430266713 476797618 /nfs/dbraw/zinc/79/76/18/476797618.db2.gz YRKCNEMVVCVJFT-GFCCVEGCSA-N 1 0 333.388 2.830 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430274914 476799601 /nfs/dbraw/zinc/79/96/01/476799601.db2.gz FXOYEKWNFWXUGU-WCQYABFASA-N 1 0 333.388 2.828 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055057 476813769 /nfs/dbraw/zinc/81/37/69/476813769.db2.gz SGFAZXHDCUUSEG-HUUCEWRRSA-N 1 0 333.432 2.907 10 5 EFBERO CC(C)(C[NH+]1CCCC1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452092027 476817866 /nfs/dbraw/zinc/81/78/66/476817866.db2.gz UFKQQONUFORPQC-UHFFFAOYSA-N 1 0 345.403 2.609 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452094447 476819551 /nfs/dbraw/zinc/81/95/51/476819551.db2.gz WFBVNKBDHXTYQP-KBPBESRZSA-N 1 0 335.404 2.670 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446075455 476823009 /nfs/dbraw/zinc/82/30/09/476823009.db2.gz YQQXGEDGTIAKQH-MELADBBJSA-N 1 0 335.404 2.730 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375465231 476852036 /nfs/dbraw/zinc/85/20/36/476852036.db2.gz HSAWRHCARSSYKY-ZDUSSCGKSA-N 1 0 344.371 2.724 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000446315386 476860415 /nfs/dbraw/zinc/86/04/15/476860415.db2.gz IZVYEMGTWLMREY-ZYHUDNBSSA-N 1 0 325.796 2.769 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000370539641 476862295 /nfs/dbraw/zinc/86/22/95/476862295.db2.gz NJAJTOHTMOBUOK-OCCSQVGLSA-N 1 0 333.388 2.729 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398004890 476867092 /nfs/dbraw/zinc/86/70/92/476867092.db2.gz XIGCLRKIQCKRJG-KRWDZBQOSA-N 1 0 329.404 2.795 10 5 EFBERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457130132 476892802 /nfs/dbraw/zinc/89/28/02/476892802.db2.gz TVRCVAGYEXOEDT-CYBMUJFWSA-N 1 0 330.388 2.631 10 5 EFBERO COc1cccc([C@@H](CNc2ncc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000401222212 476897027 /nfs/dbraw/zinc/89/70/27/476897027.db2.gz YJBGBUXSVVIABO-OAHLLOKOSA-N 1 0 334.351 2.852 10 5 EFBERO CCc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000370658808 476919973 /nfs/dbraw/zinc/91/99/73/476919973.db2.gz WQRJXKRJUBPHPW-UHFFFAOYSA-N 1 0 331.416 2.904 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415505761 476931737 /nfs/dbraw/zinc/93/17/37/476931737.db2.gz QMRREOWIRHFSNS-UHFFFAOYSA-N 1 0 348.403 2.601 10 5 EFBERO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000415510765 476933463 /nfs/dbraw/zinc/93/34/63/476933463.db2.gz ZNOAIZBOJZMYHQ-UHFFFAOYSA-N 1 0 344.415 2.870 10 5 EFBERO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000423233058 476970304 /nfs/dbraw/zinc/97/03/04/476970304.db2.gz NRLAEOUPZJDNFT-ZDUSSCGKSA-N 1 0 327.388 2.573 10 5 EFBERO N[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235115 476971301 /nfs/dbraw/zinc/97/13/01/476971301.db2.gz GHPHDLWFTLOPRL-PMPSAXMXSA-N 1 0 329.404 2.565 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2ccccn2)n1 ZINC000447578930 477016480 /nfs/dbraw/zinc/01/64/80/477016480.db2.gz ICDJLMRQHSAPRH-JKSUJKDBSA-N 1 0 329.404 2.892 10 5 EFBERO Cc1ccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+](C)C)cc1 ZINC000447681393 477034640 /nfs/dbraw/zinc/03/46/40/477034640.db2.gz YZLKGQCQQIRFAQ-QGZVFWFLSA-N 1 0 339.399 2.916 10 5 EFBERO CC1CC[NH+](CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447679441 477034880 /nfs/dbraw/zinc/03/48/80/477034880.db2.gz NWLWSAQWLBGRKX-UHFFFAOYSA-N 1 0 331.420 2.817 10 5 EFBERO CCOc1ccc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423481886 477043071 /nfs/dbraw/zinc/04/30/71/477043071.db2.gz OQUSLWWJEVBTMY-HZMBPMFUSA-N 1 0 329.347 2.641 10 5 EFBERO Cc1cc(OCC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431634935 477065539 /nfs/dbraw/zinc/06/55/39/477065539.db2.gz HZPLYKXJBDTRTC-HUUCEWRRSA-N 1 0 349.431 2.661 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000371019669 477084456 /nfs/dbraw/zinc/08/44/56/477084456.db2.gz TXVZKVGQFIKGIE-IUODEOHRSA-N 1 0 349.456 2.921 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000431823608 477102281 /nfs/dbraw/zinc/10/22/81/477102281.db2.gz RBERYZBPMIGYTB-NSHDSACASA-N 1 0 331.376 2.674 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000431823607 477102381 /nfs/dbraw/zinc/10/23/81/477102381.db2.gz RBERYZBPMIGYTB-LLVKDONJSA-N 1 0 331.376 2.674 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376019095 477132786 /nfs/dbraw/zinc/13/27/86/477132786.db2.gz MULOTYMNPPVKDO-UHFFFAOYSA-N 1 0 348.403 2.742 10 5 EFBERO CCC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262209 477201551 /nfs/dbraw/zinc/20/15/51/477201551.db2.gz KMJJBGYIAIKKEV-ZWKOTPCHSA-N 1 0 335.448 2.872 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423981278 477244728 /nfs/dbraw/zinc/24/47/28/477244728.db2.gz SVTPDKSKVBYIBH-HIFRSBDPSA-N 1 0 347.415 2.516 10 5 EFBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423981281 477244967 /nfs/dbraw/zinc/24/49/67/477244967.db2.gz SVTPDKSKVBYIBH-UKRRQHHQSA-N 1 0 347.415 2.516 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CO)CC3(CCC3)C2)n1 ZINC000433062433 477307456 /nfs/dbraw/zinc/30/74/56/477307456.db2.gz TWSIMXWLPHRQDF-GJZGRUSLSA-N 1 0 348.447 2.807 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288959 477322799 /nfs/dbraw/zinc/32/27/99/477322799.db2.gz NNTGGVGXPBBYMQ-SJLPKXTDSA-N 1 0 334.416 2.696 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376493139 477361549 /nfs/dbraw/zinc/36/15/49/477361549.db2.gz XWLOSVMTVDOERH-UKRRQHHQSA-N 1 0 347.415 2.692 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376493138 477362355 /nfs/dbraw/zinc/36/23/55/477362355.db2.gz XWLOSVMTVDOERH-HIFRSBDPSA-N 1 0 347.415 2.692 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000436344131 477467163 /nfs/dbraw/zinc/46/71/63/477467163.db2.gz WVRKHNHPJABQBK-QGZVFWFLSA-N 1 0 342.399 2.559 10 5 EFBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419009603 477494062 /nfs/dbraw/zinc/49/40/62/477494062.db2.gz WIPJZUNBGRUFAC-WDEREUQCSA-N 1 0 347.337 2.505 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371865050 477533647 /nfs/dbraw/zinc/53/36/47/477533647.db2.gz RCMJFUBTHGAKTL-FUHWJXTLSA-N 1 0 344.415 2.725 10 5 EFBERO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000449358621 477560277 /nfs/dbraw/zinc/56/02/77/477560277.db2.gz COPHICMAFMGOQF-AEFFLSMTSA-N 1 0 333.432 2.623 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000413430488 477676197 /nfs/dbraw/zinc/67/61/97/477676197.db2.gz UJNFCTALYDPMAI-MRXNPFEDSA-N 1 0 347.415 2.548 10 5 EFBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425282290 477677558 /nfs/dbraw/zinc/67/75/58/477677558.db2.gz KKKPIGMWGZTXRO-YVEFUNNKSA-N 1 0 342.399 2.682 10 5 EFBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000450807221 477723294 /nfs/dbraw/zinc/72/32/94/477723294.db2.gz GHCKQMDBSKRFAR-OAHLLOKOSA-N 1 0 326.400 2.948 10 5 EFBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000372283844 477734657 /nfs/dbraw/zinc/73/46/57/477734657.db2.gz VFFMAFACKRHZOM-BWVNKGDMSA-N 1 0 348.399 2.651 10 5 EFBERO Cc1nn(C)c(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000450883650 477749462 /nfs/dbraw/zinc/74/94/62/477749462.db2.gz XHFBHNQRRPFEJU-UHFFFAOYSA-N 1 0 337.468 2.974 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000426914248 477759328 /nfs/dbraw/zinc/75/93/28/477759328.db2.gz OHBOCMSILYFTAE-CHWSQXEVSA-N 1 0 335.404 2.596 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000427212183 477767484 /nfs/dbraw/zinc/76/74/84/477767484.db2.gz JQGVEPWESPOUSD-UHFFFAOYSA-N 1 0 347.337 2.907 10 5 EFBERO CCOC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000450941922 477768727 /nfs/dbraw/zinc/76/87/27/477768727.db2.gz QBTLUGRWSIHYJE-UHFFFAOYSA-N 1 0 343.383 2.841 10 5 EFBERO CN(c1ccc([N+](=O)[O-])nc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450950419 477772773 /nfs/dbraw/zinc/77/27/73/477772773.db2.gz MQUKKVHCTQILCW-UHFFFAOYSA-N 1 0 332.326 2.843 10 5 EFBERO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000427979332 477797827 /nfs/dbraw/zinc/79/78/27/477797827.db2.gz HWYUWGNHSXEXFY-SFHVURJKSA-N 1 0 342.399 2.707 10 5 EFBERO CCOc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000456199905 477815948 /nfs/dbraw/zinc/81/59/48/477815948.db2.gz KYXCPEHZUDUWHH-UHFFFAOYSA-N 1 0 337.420 2.844 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438494238 477851680 /nfs/dbraw/zinc/85/16/80/477851680.db2.gz NDQQGQYCIIUCOX-CYBMUJFWSA-N 1 0 335.404 2.910 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420998844 477887306 /nfs/dbraw/zinc/88/73/06/477887306.db2.gz UIDYFVNOQRFSGW-OAHLLOKOSA-N 1 0 347.415 2.611 10 5 EFBERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576563 477889485 /nfs/dbraw/zinc/88/94/85/477889485.db2.gz IYSUSDRHKZMWPG-GFCCVEGCSA-N 1 0 346.431 2.902 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459409566 477892277 /nfs/dbraw/zinc/89/22/77/477892277.db2.gz YTPYMHAEMOBFNV-KRWDZBQOSA-N 1 0 338.411 2.622 10 5 EFBERO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000459426208 477901192 /nfs/dbraw/zinc/90/11/92/477901192.db2.gz NLRCYJRWQKVGNG-UHFFFAOYSA-N 1 0 325.372 2.750 10 5 EFBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249816 477903014 /nfs/dbraw/zinc/90/30/14/477903014.db2.gz CJAJSBIUEJVBOM-CZUORRHYSA-N 1 0 331.372 2.843 10 5 EFBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249814 477903508 /nfs/dbraw/zinc/90/35/08/477903508.db2.gz CJAJSBIUEJVBOM-BBRMVZONSA-N 1 0 331.372 2.843 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516655531 477968433 /nfs/dbraw/zinc/96/84/33/477968433.db2.gz FFRGALGSYHGCGZ-WOSRLPQWSA-N 1 0 337.420 2.699 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000516841178 477992971 /nfs/dbraw/zinc/99/29/71/477992971.db2.gz AVRNOHSIUARHQU-UHFFFAOYSA-N 1 0 328.328 2.747 10 5 EFBERO CCNC(=O)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000459612943 478009748 /nfs/dbraw/zinc/00/97/48/478009748.db2.gz UZYDKTFQFXMEBH-UHFFFAOYSA-N 1 0 345.424 2.891 10 5 EFBERO Cn1cnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656645 478025648 /nfs/dbraw/zinc/02/56/48/478025648.db2.gz GZRRTVNAYQEFLW-RHSMWYFYSA-N 1 0 328.416 2.872 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494630576 478028281 /nfs/dbraw/zinc/02/82/81/478028281.db2.gz JWZSICMKAKPARD-CQSZACIVSA-N 1 0 349.412 2.617 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421343457 478043390 /nfs/dbraw/zinc/04/33/90/478043390.db2.gz ZJJDTOGWBZTAFN-UHFFFAOYSA-N 1 0 341.415 2.662 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000439884871 478043627 /nfs/dbraw/zinc/04/36/27/478043627.db2.gz XHAGDFRNHNZKSE-UHFFFAOYSA-N 1 0 348.403 2.767 10 5 EFBERO CC[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421393244 478069930 /nfs/dbraw/zinc/06/99/30/478069930.db2.gz VZKBHZCLMZKYSK-XNRPHZJLSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459751678 478074066 /nfs/dbraw/zinc/07/40/66/478074066.db2.gz BDHRJHPDJKFBAZ-GFCCVEGCSA-N 1 0 345.374 2.896 10 5 EFBERO C[NH+](C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000487936397 478088283 /nfs/dbraw/zinc/08/82/83/478088283.db2.gz WINACKVGQYMVCN-AWEZNQCLSA-N 1 0 326.356 2.873 10 5 EFBERO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429383622 478125441 /nfs/dbraw/zinc/12/54/41/478125441.db2.gz HYJGJBGITHPUQX-AWEZNQCLSA-N 1 0 333.432 2.910 10 5 EFBERO COC(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]1 ZINC000518009930 478138507 /nfs/dbraw/zinc/13/85/07/478138507.db2.gz JSLBUXZDCOKFFW-UHFFFAOYSA-N 1 0 342.355 2.523 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000536533272 478254392 /nfs/dbraw/zinc/25/43/92/478254392.db2.gz QJLMVDBDINKQHH-CQSZACIVSA-N 1 0 327.384 2.984 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000600201798 478278793 /nfs/dbraw/zinc/27/87/93/478278793.db2.gz XQICFVWWULUBGU-UHFFFAOYSA-N 1 0 333.432 2.590 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594229552 478287101 /nfs/dbraw/zinc/28/71/01/478287101.db2.gz FQMGCSPXHZHWII-KCQAQPDRSA-N 1 0 334.420 2.604 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000590698170 478296330 /nfs/dbraw/zinc/29/63/30/478296330.db2.gz YKGAMKAXMHSDHF-CQSZACIVSA-N 1 0 329.404 2.926 10 5 EFBERO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600228966 478299144 /nfs/dbraw/zinc/29/91/44/478299144.db2.gz IHSVBGLATSMGHX-ZDUSSCGKSA-N 1 0 349.435 2.578 10 5 EFBERO COc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230349 478300887 /nfs/dbraw/zinc/30/08/87/478300887.db2.gz RFCCPNDMVRDGGX-CQSZACIVSA-N 1 0 347.415 2.740 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000520610317 478331303 /nfs/dbraw/zinc/33/13/03/478331303.db2.gz UEMURCZWDRCGKY-HNNXBMFYSA-N 1 0 349.431 2.685 10 5 EFBERO C[N@@H+]1CCCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600312312 478334983 /nfs/dbraw/zinc/33/49/83/478334983.db2.gz DSYJJKHSGOAAJL-GFCCVEGCSA-N 1 0 330.388 2.538 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000538192847 478349443 /nfs/dbraw/zinc/34/94/43/478349443.db2.gz HJDMEGFJRAKXLJ-ZDUSSCGKSA-N 1 0 327.388 2.704 10 5 EFBERO O=C([C@H]1CCc2nc[nH]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468410 478366091 /nfs/dbraw/zinc/36/60/91/478366091.db2.gz QHPYYUQJWZGOKJ-ZDUSSCGKSA-N 1 0 340.383 2.614 10 5 EFBERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417193 478374419 /nfs/dbraw/zinc/37/44/19/478374419.db2.gz AXOZHQNFEIVFGW-IAGOWNOFSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470055 478382034 /nfs/dbraw/zinc/38/20/34/478382034.db2.gz DZPDNVJMNAZZJH-HNNXBMFYSA-N 1 0 349.456 2.820 10 5 EFBERO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472484 478382415 /nfs/dbraw/zinc/38/24/15/478382415.db2.gz ZNYSRDLASZDAAT-DYVFJYSZSA-N 1 0 331.416 2.831 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600469414 478383088 /nfs/dbraw/zinc/38/30/88/478383088.db2.gz BABPMEKTOLTMQM-CYBMUJFWSA-N 1 0 337.807 2.995 10 5 EFBERO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472486 478383844 /nfs/dbraw/zinc/38/38/44/478383844.db2.gz ZNYSRDLASZDAAT-SUMWQHHRSA-N 1 0 331.416 2.831 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600473181 478384260 /nfs/dbraw/zinc/38/42/60/478384260.db2.gz SUCYOWPCJKTLSQ-AWEZNQCLSA-N 1 0 337.807 2.995 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600474065 478384658 /nfs/dbraw/zinc/38/46/58/478384658.db2.gz WNQDKRZLCCZJCK-AWEZNQCLSA-N 1 0 342.399 2.823 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000490865977 478396043 /nfs/dbraw/zinc/39/60/43/478396043.db2.gz XVVSSVKSFOQFTH-UHFFFAOYSA-N 1 0 337.383 2.567 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451588 478395937 /nfs/dbraw/zinc/39/59/37/478395937.db2.gz NKNMPSSCDJPTCK-LLVKDONJSA-N 1 0 333.310 2.512 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000562985071 478401750 /nfs/dbraw/zinc/40/17/50/478401750.db2.gz GTMNHNUOBRANEN-BZUAXINKSA-N 1 0 346.358 2.619 10 5 EFBERO CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000590928049 478402195 /nfs/dbraw/zinc/40/21/95/478402195.db2.gz OZRKNBQAZPHNFC-GDBMZVCRSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000539327848 478410426 /nfs/dbraw/zinc/41/04/26/478410426.db2.gz HTZSZNWMORODOY-LSDHHAIUSA-N 1 0 330.384 2.994 10 5 EFBERO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511662 478419735 /nfs/dbraw/zinc/41/97/35/478419735.db2.gz GGBIMTYLWOMRCX-YRCJHFKKSA-N 1 0 333.432 2.695 10 5 EFBERO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594515294 478420998 /nfs/dbraw/zinc/42/09/98/478420998.db2.gz MOBBJMZZTIWSEK-ZDUSSCGKSA-N 1 0 338.404 2.907 10 5 EFBERO CO[C@@](C)(CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000594513862 478422083 /nfs/dbraw/zinc/42/20/83/478422083.db2.gz UCJUIGYPFAJJLU-QZTJIDSGSA-N 1 0 330.384 2.671 10 5 EFBERO Cn1cc(C[NH+]2CC3(CC(F)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590969263 478423828 /nfs/dbraw/zinc/42/38/28/478423828.db2.gz CESPNMSSVVGYDC-UHFFFAOYSA-N 1 0 330.363 2.929 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000594520794 478425569 /nfs/dbraw/zinc/42/55/69/478425569.db2.gz BUKUBDBCFBDFDB-CYBMUJFWSA-N 1 0 336.388 2.890 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCn4ccnc43)c2c1 ZINC000594525127 478427076 /nfs/dbraw/zinc/42/70/76/478427076.db2.gz SLYXXKSMZTWJEA-INIZCTEOSA-N 1 0 325.372 2.940 10 5 EFBERO O=c1[nH]c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597579 478457116 /nfs/dbraw/zinc/45/71/16/478457116.db2.gz DATVULJVPDKVSQ-CABCVRRESA-N 1 0 343.387 2.672 10 5 EFBERO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000570895286 478468763 /nfs/dbraw/zinc/46/87/63/478468763.db2.gz XSVUUUICKVTIGL-SFHVURJKSA-N 1 0 349.434 2.751 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](C4CC[NH2+]CC4)C3)c21 ZINC000594693459 478500279 /nfs/dbraw/zinc/50/02/79/478500279.db2.gz PAFVDBUKRIWWGO-AWEZNQCLSA-N 1 0 341.415 2.754 10 5 EFBERO COCC1(C2CCC2)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000594716337 478510373 /nfs/dbraw/zinc/51/03/73/478510373.db2.gz PDQIVMQKHNCPPO-UHFFFAOYSA-N 1 0 347.415 2.672 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+][C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000600773658 478513843 /nfs/dbraw/zinc/51/38/43/478513843.db2.gz OZGNBPNSCWVQGB-XHDPSFHLSA-N 1 0 331.372 2.703 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591298697 478514219 /nfs/dbraw/zinc/51/42/19/478514219.db2.gz STWKMUQRWGSEFB-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776739 478514716 /nfs/dbraw/zinc/51/47/16/478514716.db2.gz RMHSTFDJYZNKQS-TZMCWYRMSA-N 1 0 331.338 2.862 10 5 EFBERO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594739370 478523098 /nfs/dbraw/zinc/52/30/98/478523098.db2.gz OPZSFZRAKWMHOY-OAHLLOKOSA-N 1 0 341.367 2.725 10 5 EFBERO COc1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000594739414 478523246 /nfs/dbraw/zinc/52/32/46/478523246.db2.gz QFTMUYSHACSHHU-SFHVURJKSA-N 1 0 343.383 2.876 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597855435 478542448 /nfs/dbraw/zinc/54/24/48/478542448.db2.gz QOQNDFJAHAJZEJ-LLVKDONJSA-N 1 0 325.434 2.815 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597856825 478543045 /nfs/dbraw/zinc/54/30/45/478543045.db2.gz AUWNKCBLMJOHPG-AWEZNQCLSA-N 1 0 344.415 2.608 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597858099 478544683 /nfs/dbraw/zinc/54/46/83/478544683.db2.gz JJAHMAZSZKVXKI-JTQLQIEISA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597857296 478544913 /nfs/dbraw/zinc/54/49/13/478544913.db2.gz CPSCEKMBZVDSHT-CYBMUJFWSA-N 1 0 331.372 2.944 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859950 478546105 /nfs/dbraw/zinc/54/61/05/478546105.db2.gz IQZLFBUBWZORNH-OAHLLOKOSA-N 1 0 347.415 2.547 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597860203 478547029 /nfs/dbraw/zinc/54/70/29/478547029.db2.gz LVJUCRPAYPOROL-CYBMUJFWSA-N 1 0 333.432 2.861 10 5 EFBERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000597861745 478548192 /nfs/dbraw/zinc/54/81/92/478548192.db2.gz WRFCQAUKRPNVIW-ZDUSSCGKSA-N 1 0 335.404 2.514 10 5 EFBERO CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000597947171 478590143 /nfs/dbraw/zinc/59/01/43/478590143.db2.gz UQYNJUACXPDSGZ-OCCSQVGLSA-N 1 0 337.445 2.628 10 5 EFBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](C)C1 ZINC000597946633 478591154 /nfs/dbraw/zinc/59/11/54/478591154.db2.gz QYABGZLGCRLBPQ-ZDUSSCGKSA-N 1 0 333.413 2.976 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000594943279 478597146 /nfs/dbraw/zinc/59/71/46/478597146.db2.gz OVOGPESPCFSLQL-UHFFFAOYSA-N 1 0 335.795 2.897 10 5 EFBERO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)n1cncn1 ZINC000582456449 478601497 /nfs/dbraw/zinc/60/14/97/478601497.db2.gz ULNLCORICAXFHS-GFCCVEGCSA-N 1 0 342.403 2.624 10 5 EFBERO Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000594958260 478603986 /nfs/dbraw/zinc/60/39/86/478603986.db2.gz ZYHGSGPXJACFDB-OAHLLOKOSA-N 1 0 325.368 2.581 10 5 EFBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600999478 478605699 /nfs/dbraw/zinc/60/56/99/478605699.db2.gz CIJJEYKVYPKDSP-WBVHZDCISA-N 1 0 343.427 2.760 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966393 478609241 /nfs/dbraw/zinc/60/92/41/478609241.db2.gz RGAAKBRPPFGCPK-PEYYIBSZSA-N 1 0 342.823 2.904 10 5 EFBERO C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C[NH+]1CCCC1 ZINC000601004178 478609641 /nfs/dbraw/zinc/60/96/41/478609641.db2.gz RQXDVORKBHWVRP-OAHLLOKOSA-N 1 0 345.443 2.865 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973883 478614386 /nfs/dbraw/zinc/61/43/86/478614386.db2.gz GABYMTSWHCZHMH-OCCSQVGLSA-N 1 0 340.445 2.774 10 5 EFBERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1[N+](=O)[O-] ZINC000594989724 478619075 /nfs/dbraw/zinc/61/90/75/478619075.db2.gz IYMISGUEQFZCFJ-QZTJIDSGSA-N 1 0 345.443 2.636 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)Cc3ccccc3)c2c1 ZINC000591767725 478624962 /nfs/dbraw/zinc/62/49/62/478624962.db2.gz PXFKWJDSYWUKHJ-KRWDZBQOSA-N 1 0 339.395 2.812 10 5 EFBERO CC[N@H+](CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000601035813 478624964 /nfs/dbraw/zinc/62/49/64/478624964.db2.gz MRDPBKIUWHTTJA-UHFFFAOYSA-N 1 0 331.416 2.617 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000595008558 478627186 /nfs/dbraw/zinc/62/71/86/478627186.db2.gz VIQKRGYQVKODCJ-ZDUSSCGKSA-N 1 0 349.431 2.901 10 5 EFBERO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000598044186 478630138 /nfs/dbraw/zinc/63/01/38/478630138.db2.gz ZJBFCBARTWSLHV-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000571580888 478630482 /nfs/dbraw/zinc/63/04/82/478630482.db2.gz CLXDWOUBELFHKL-QGZVFWFLSA-N 1 0 333.432 2.590 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000571622397 478638455 /nfs/dbraw/zinc/63/84/55/478638455.db2.gz BZPUOCQIOKSESB-LRDDRELGSA-N 1 0 331.416 2.892 10 5 EFBERO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC000595060245 478645417 /nfs/dbraw/zinc/64/54/17/478645417.db2.gz LHPCIYBHBZWMOY-SOLBZPMBSA-N 1 0 334.416 2.557 10 5 EFBERO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000595064771 478648365 /nfs/dbraw/zinc/64/83/65/478648365.db2.gz GFAYQPXVFNFQBB-PBHICJAKSA-N 1 0 336.432 2.947 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595066409 478648419 /nfs/dbraw/zinc/64/84/19/478648419.db2.gz XFWXVLUPGAPGQC-UWWPHRKUSA-N 1 0 334.416 2.738 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000595078794 478652728 /nfs/dbraw/zinc/65/27/28/478652728.db2.gz FMTMVORGYSWARB-XJKCOSOUSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595075490 478652934 /nfs/dbraw/zinc/65/29/34/478652934.db2.gz XLLITEGZOCLBMY-MLGOLLRUSA-N 1 0 325.368 2.833 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000595081977 478654125 /nfs/dbraw/zinc/65/41/25/478654125.db2.gz VDDHYZGECMPRNI-IINYFYTJSA-N 1 0 327.331 2.947 10 5 EFBERO CC(C)[NH+](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)C ZINC000601099607 478655886 /nfs/dbraw/zinc/65/58/86/478655886.db2.gz BFXOMQVWDVFZPS-UHFFFAOYSA-N 1 0 337.346 2.878 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000601106173 478659382 /nfs/dbraw/zinc/65/93/82/478659382.db2.gz URBDNCDJNVEHRE-UHFFFAOYSA-N 1 0 331.351 2.600 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595104292 478661870 /nfs/dbraw/zinc/66/18/70/478661870.db2.gz OPKJBGBJPVBKCB-GDBMZVCRSA-N 1 0 346.431 2.844 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106847 478662775 /nfs/dbraw/zinc/66/27/75/478662775.db2.gz NFMGJGMVEGYQLG-QWHCGFSZSA-N 1 0 335.404 2.717 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595109987 478663624 /nfs/dbraw/zinc/66/36/24/478663624.db2.gz YCECLZXEKNESSN-ZBFHGGJFSA-N 1 0 344.415 2.822 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601122405 478670670 /nfs/dbraw/zinc/67/06/70/478670670.db2.gz VVRPUFPAKDMPRD-UWVGGRQHSA-N 1 0 349.357 2.656 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894810 478680397 /nfs/dbraw/zinc/68/03/97/478680397.db2.gz BXHMSZCDSMJQSW-IUODEOHRSA-N 1 0 343.383 2.945 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([NH+]3CCCC3)C1)CCCC2 ZINC000591898807 478683428 /nfs/dbraw/zinc/68/34/28/478683428.db2.gz FKCQFCGQGPNYRD-HNNXBMFYSA-N 1 0 330.432 2.933 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)F)o2)c1 ZINC000601147869 478687095 /nfs/dbraw/zinc/68/70/95/478687095.db2.gz YSSUHUNGXUKBEZ-CYBMUJFWSA-N 1 0 326.299 2.961 10 5 EFBERO CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148438 478687363 /nfs/dbraw/zinc/68/73/63/478687363.db2.gz BSVZPEZOGGYFHB-SFHVURJKSA-N 1 0 330.384 2.991 10 5 EFBERO C[C@@](CO)([NH2+]CC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000601149347 478689158 /nfs/dbraw/zinc/68/91/58/478689158.db2.gz LSZTXSFSGSJZHS-IBGZPJMESA-N 1 0 340.379 2.868 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224851 478692711 /nfs/dbraw/zinc/69/27/11/478692711.db2.gz IHKAGGSNNLCZKE-GJZGRUSLSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223861 478693511 /nfs/dbraw/zinc/69/35/11/478693511.db2.gz CLGBDWNPAWPRSF-PBHICJAKSA-N 1 0 331.416 2.898 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595231874 478696153 /nfs/dbraw/zinc/69/61/53/478696153.db2.gz DOZGJTUCTSXBHE-CHWSQXEVSA-N 1 0 338.383 2.795 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595232378 478696280 /nfs/dbraw/zinc/69/62/80/478696280.db2.gz ZPLAYQLIJAADPS-UHFFFAOYSA-N 1 0 332.404 2.847 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000564156512 478700311 /nfs/dbraw/zinc/70/03/11/478700311.db2.gz WWLVPAKABJYGOV-HUUCEWRRSA-N 1 0 333.432 2.841 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC(C)(C)C[NH+]1CCCC1 ZINC000601172869 478703943 /nfs/dbraw/zinc/70/39/43/478703943.db2.gz JNSQIYANHFJLHX-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000601172837 478704066 /nfs/dbraw/zinc/70/40/66/478704066.db2.gz IJWDHCVCOYRRHT-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000595268325 478707036 /nfs/dbraw/zinc/70/70/36/478707036.db2.gz GJPIOXQEPXPLHM-NVXWUHKLSA-N 1 0 339.395 2.779 10 5 EFBERO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595263648 478707628 /nfs/dbraw/zinc/70/76/28/478707628.db2.gz IQQCDQWKRYFGFX-MRXNPFEDSA-N 1 0 346.431 2.516 10 5 EFBERO C[C@H]1C[N@H+](CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCO1 ZINC000591936745 478715852 /nfs/dbraw/zinc/71/58/52/478715852.db2.gz LVVRDUKCOXGNFP-AWEZNQCLSA-N 1 0 348.447 2.781 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000601194713 478717318 /nfs/dbraw/zinc/71/73/18/478717318.db2.gz PODAEPHKSYGMMG-UHFFFAOYSA-N 1 0 345.378 2.848 10 5 EFBERO CCC1([NH+](C)C)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000601229181 478736645 /nfs/dbraw/zinc/73/66/45/478736645.db2.gz HSRPGYQDRBTYHK-UHFFFAOYSA-N 1 0 329.404 2.849 10 5 EFBERO COC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702519 478768733 /nfs/dbraw/zinc/76/87/33/478768733.db2.gz YOFUCEPLFQLCBC-ZWKOTPCHSA-N 1 0 330.384 2.671 10 5 EFBERO CC(C)(C)OC(=O)COCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601296024 478771340 /nfs/dbraw/zinc/77/13/40/478771340.db2.gz MXDGVUCXSCULJO-CQSZACIVSA-N 1 0 336.388 2.530 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000601295480 478772253 /nfs/dbraw/zinc/77/22/53/478772253.db2.gz VPDCLIZBJPBJAI-CYBMUJFWSA-N 1 0 338.404 2.912 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592131007 478788774 /nfs/dbraw/zinc/78/87/74/478788774.db2.gz PDKBWAQRCJZWDI-BRWVUGGUSA-N 1 0 334.416 2.879 10 5 EFBERO CC(C)(O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131269 478789529 /nfs/dbraw/zinc/78/95/29/478789529.db2.gz VUGKUMTTZYIQPB-WKILWMFISA-N 1 0 336.432 2.861 10 5 EFBERO [NH3+]C[C@@H]1Cc2ccccc2N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601334613 478792018 /nfs/dbraw/zinc/79/20/18/478792018.db2.gz CBDXLDIDCJLCBD-AWEZNQCLSA-N 1 0 327.384 2.611 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592374782 478871414 /nfs/dbraw/zinc/87/14/14/478871414.db2.gz IXMXXYTWGAWWID-MOVXZBDNSA-N 1 0 334.416 2.765 10 5 EFBERO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000592393666 478882719 /nfs/dbraw/zinc/88/27/19/478882719.db2.gz IVTRMHFQQMETCV-GOEBONIOSA-N 1 0 343.431 2.657 10 5 EFBERO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425443 478890731 /nfs/dbraw/zinc/89/07/31/478890731.db2.gz COKDTSYRGSVRDA-UKRRQHHQSA-N 1 0 349.431 2.576 10 5 EFBERO COc1ccc(CN2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592438324 478893794 /nfs/dbraw/zinc/89/37/94/478893794.db2.gz KRSIPORQINQQEL-QGZVFWFLSA-N 1 0 327.384 2.662 10 5 EFBERO CC1(C)C[C@@H]([N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)CO1 ZINC000595634617 478904757 /nfs/dbraw/zinc/90/47/57/478904757.db2.gz DDHBWLSSROMZMH-MRXNPFEDSA-N 1 0 344.415 2.861 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601644322 478923464 /nfs/dbraw/zinc/92/34/64/478923464.db2.gz OBKZHOOTAYHHFL-MRXNPFEDSA-N 1 0 331.416 2.569 10 5 EFBERO C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601647182 478924807 /nfs/dbraw/zinc/92/48/07/478924807.db2.gz NZALLRSWBISOOG-WMLDXEAASA-N 1 0 343.427 2.569 10 5 EFBERO C[C@@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595680948 478931759 /nfs/dbraw/zinc/93/17/59/478931759.db2.gz JAVGWWIQYZWMIA-CYBMUJFWSA-N 1 0 333.388 2.567 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572869750 478940094 /nfs/dbraw/zinc/94/00/94/478940094.db2.gz NOUJCIFCPNEXHM-GUYCJALGSA-N 1 0 349.456 2.678 10 5 EFBERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592571276 478944423 /nfs/dbraw/zinc/94/44/23/478944423.db2.gz WTNPGCYKEZOJOB-MRXNPFEDSA-N 1 0 344.415 2.574 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CC1(F)F ZINC000598678422 478966292 /nfs/dbraw/zinc/96/62/92/478966292.db2.gz XVCCBQIJVSYVHN-WDEREUQCSA-N 1 0 327.331 2.947 10 5 EFBERO CC(C)[C@@H]1C[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000572993130 478969132 /nfs/dbraw/zinc/96/91/32/478969132.db2.gz OQPKUBAHGMSVMJ-PBHICJAKSA-N 1 0 349.431 2.964 10 5 EFBERO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[C@H]1O ZINC000595743552 478970281 /nfs/dbraw/zinc/97/02/81/478970281.db2.gz OEKKFBDACPSZEG-ATCWAGBWSA-N 1 0 331.372 2.699 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742798 478970688 /nfs/dbraw/zinc/97/06/88/478970688.db2.gz HUGKCYHQCZHVJA-OZTPJHRESA-N 1 0 346.387 2.655 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@](O)(C4CC4)C3)co2)cc1 ZINC000595749342 478973866 /nfs/dbraw/zinc/97/38/66/478973866.db2.gz FHQFADXBWABNLH-GOSISDBHSA-N 1 0 343.383 2.987 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601739178 478978245 /nfs/dbraw/zinc/97/82/45/478978245.db2.gz NPSLFTBUQNRDGC-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1cccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601739866 478979387 /nfs/dbraw/zinc/97/93/87/478979387.db2.gz QLVKSQYARVYWQB-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000573067147 478982843 /nfs/dbraw/zinc/98/28/43/478982843.db2.gz COACEJDLSORLAR-CYBMUJFWSA-N 1 0 347.418 2.648 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771941 478989108 /nfs/dbraw/zinc/98/91/08/478989108.db2.gz QWFZKFGRRWOSAW-CZUORRHYSA-N 1 0 332.379 2.968 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595779408 478991487 /nfs/dbraw/zinc/99/14/87/478991487.db2.gz AATAFATWMADRDQ-OLZOCXBDSA-N 1 0 335.404 2.731 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781073 478994236 /nfs/dbraw/zinc/99/42/36/478994236.db2.gz QQIWIMAILJPUQJ-KGLIPLIRSA-N 1 0 335.404 2.731 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601791280 479006241 /nfs/dbraw/zinc/00/62/41/479006241.db2.gz JHPBDKGIFSMWOR-UHFFFAOYSA-N 1 0 333.432 2.860 10 5 EFBERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808787 479010238 /nfs/dbraw/zinc/01/02/38/479010238.db2.gz WJZZZSVZTLEKIN-HOCLYGCPSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595819923 479015428 /nfs/dbraw/zinc/01/54/28/479015428.db2.gz RDHMGMNJKJQANI-USPMSXPRSA-N 1 0 340.395 2.841 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595823783 479017070 /nfs/dbraw/zinc/01/70/70/479017070.db2.gz QYEOHHVYDLKTEF-UKRRQHHQSA-N 1 0 334.420 2.652 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826967 479020658 /nfs/dbraw/zinc/02/06/58/479020658.db2.gz BMKKQIPVDUBGNC-MRVWCRGKSA-N 1 0 344.371 2.674 10 5 EFBERO O=[N+]([O-])c1cccc(OCCN2CCOc3ccc(O)cc3C2)c1 ZINC000595856017 479035450 /nfs/dbraw/zinc/03/54/50/479035450.db2.gz HWYRMZJVGIFHES-UHFFFAOYSA-N 1 0 330.340 2.574 10 5 EFBERO C[C@@H]1[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000592797917 479048784 /nfs/dbraw/zinc/04/87/84/479048784.db2.gz MOXICSUMBAWQSV-PRHODGIISA-N 1 0 342.193 2.636 10 5 EFBERO COCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595908339 479065175 /nfs/dbraw/zinc/06/51/75/479065175.db2.gz HWXUMWLFMMIPTK-UHFFFAOYSA-N 1 0 335.404 2.862 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000595928566 479077884 /nfs/dbraw/zinc/07/78/84/479077884.db2.gz LECZTCQAHOJWCM-UHFFFAOYSA-N 1 0 346.387 2.827 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595965311 479083210 /nfs/dbraw/zinc/08/32/10/479083210.db2.gz CGRYNGJXXDBOET-INIZCTEOSA-N 1 0 341.367 2.816 10 5 EFBERO Nc1cc[nH+]c2c1CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000598944197 479095585 /nfs/dbraw/zinc/09/55/85/479095585.db2.gz ZHTVPDDWOOTITB-UHFFFAOYSA-N 1 0 336.298 2.736 10 5 EFBERO [NH3+]C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000601965725 479099207 /nfs/dbraw/zinc/09/92/07/479099207.db2.gz YGWVBQPGWBFBMA-AWEZNQCLSA-N 1 0 327.384 2.926 10 5 EFBERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971946 479107397 /nfs/dbraw/zinc/10/73/97/479107397.db2.gz JREVHGJBXUCKJW-CXAGYDPISA-N 1 0 346.431 2.972 10 5 EFBERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971947 479107581 /nfs/dbraw/zinc/10/75/81/479107581.db2.gz JREVHGJBXUCKJW-DYVFJYSZSA-N 1 0 346.431 2.972 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000598989079 479116364 /nfs/dbraw/zinc/11/63/64/479116364.db2.gz XJKVOPUEKWIBRJ-VHDGCEQUSA-N 1 0 348.399 2.672 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000598989895 479116483 /nfs/dbraw/zinc/11/64/83/479116483.db2.gz UTZNYGJUGMGJIY-CYBMUJFWSA-N 1 0 328.294 2.993 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCCO3)s2)cc1 ZINC000598990162 479116843 /nfs/dbraw/zinc/11/68/43/479116843.db2.gz IHJLRDZKEYCEFB-JKSUJKDBSA-N 1 0 348.424 2.953 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599001190 479121539 /nfs/dbraw/zinc/12/15/39/479121539.db2.gz ZTXDBZTXTZRENL-MRXNPFEDSA-N 1 0 341.367 2.520 10 5 EFBERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599004662 479123352 /nfs/dbraw/zinc/12/33/52/479123352.db2.gz WLAXKOFHHHWDQT-ZDUSSCGKSA-N 1 0 347.440 2.744 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006360 479123523 /nfs/dbraw/zinc/12/35/23/479123523.db2.gz HJEHGRUMBGXXJE-DOTOQJQBSA-N 1 0 342.399 2.652 10 5 EFBERO COc1cc(NC[C@H](O)C[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078833 479125057 /nfs/dbraw/zinc/12/50/57/479125057.db2.gz UZMSAPJDKPMGAM-NSHDSACASA-N 1 0 343.811 2.516 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2cccnc2C1 ZINC000515167131 479127791 /nfs/dbraw/zinc/12/77/91/479127791.db2.gz LJXSEDDOTXSFDK-UHFFFAOYSA-N 1 0 326.356 2.643 10 5 EFBERO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000593021894 479128952 /nfs/dbraw/zinc/12/89/52/479128952.db2.gz QUNNQBHNQTXZNL-OAHLLOKOSA-N 1 0 336.388 2.676 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1 ZINC000593029546 479133001 /nfs/dbraw/zinc/13/30/01/479133001.db2.gz BYHZANAGRQMBBB-COLVAYQJSA-N 1 0 336.388 2.531 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000593029590 479133638 /nfs/dbraw/zinc/13/36/38/479133638.db2.gz CRAXJOTUGCXTNM-FVQBIDKESA-N 1 0 348.399 2.675 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000593035104 479136259 /nfs/dbraw/zinc/13/62/59/479136259.db2.gz XFUDHZWJMTVVCL-PIGZYNQJSA-N 1 0 336.388 2.675 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC12CCCC2 ZINC000593038629 479137443 /nfs/dbraw/zinc/13/74/43/479137443.db2.gz KCZGRFCTPXEEIL-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCOC2(CCOCC2)C1 ZINC000599056212 479141297 /nfs/dbraw/zinc/14/12/97/479141297.db2.gz LWKCSHKNNVXZMD-UHFFFAOYSA-N 1 0 329.356 2.529 10 5 EFBERO C[NH+](C)C1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599055114 479141638 /nfs/dbraw/zinc/14/16/38/479141638.db2.gz NGDHFJFJNAJMAT-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599059318 479142703 /nfs/dbraw/zinc/14/27/03/479142703.db2.gz MVWVQEOMRKIXIF-HUUCEWRRSA-N 1 0 332.429 2.625 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596109126 479143427 /nfs/dbraw/zinc/14/34/27/479143427.db2.gz GBXVHYDPMICZMG-UHFFFAOYSA-N 1 0 329.784 2.787 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596112300 479144869 /nfs/dbraw/zinc/14/48/69/479144869.db2.gz MSQRBBYOKAWGID-UHFFFAOYSA-N 1 0 341.795 2.567 10 5 EFBERO NC(=O)[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070359 479147306 /nfs/dbraw/zinc/14/73/06/479147306.db2.gz LSPUILGABAAMPN-BFYDXBDKSA-N 1 0 325.368 2.538 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCN2C2CCCC2)n1 ZINC000599074472 479151164 /nfs/dbraw/zinc/15/11/64/479151164.db2.gz RQWSEMYLJQOAHM-IXDOHACOSA-N 1 0 347.463 2.882 10 5 EFBERO Cn1c2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2oc1=O ZINC000599081424 479153651 /nfs/dbraw/zinc/15/36/51/479153651.db2.gz KOZDTNKAEXWMGB-CQSZACIVSA-N 1 0 339.351 2.817 10 5 EFBERO CN1CCOC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082672 479154178 /nfs/dbraw/zinc/15/41/78/479154178.db2.gz XWZNJBRQKXJTHN-MOPGFXCFSA-N 1 0 341.411 2.604 10 5 EFBERO Cn1ccnc1[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085635 479155044 /nfs/dbraw/zinc/15/50/44/479155044.db2.gz UUJAFDOFQZELDM-DJIMGWMZSA-N 1 0 342.399 2.575 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599111266 479164936 /nfs/dbraw/zinc/16/49/36/479164936.db2.gz MUDMHXIICJZEET-HNNXBMFYSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593092042 479168520 /nfs/dbraw/zinc/16/85/20/479168520.db2.gz MEAOCXYSAZZPDO-ZDUSSCGKSA-N 1 0 347.415 2.875 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599127089 479170701 /nfs/dbraw/zinc/17/07/01/479170701.db2.gz NQCLVQVJGAOFSW-ZDUSSCGKSA-N 1 0 348.403 2.595 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000584540207 479172310 /nfs/dbraw/zinc/17/23/10/479172310.db2.gz QQKATCQRIZQPQV-XJKSGUPXSA-N 1 0 339.399 2.631 10 5 EFBERO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000610772477 479183692 /nfs/dbraw/zinc/18/36/92/479183692.db2.gz VBFZNJGGTGENIF-UHFFFAOYSA-N 1 0 344.371 2.573 10 5 EFBERO COc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180531 479183886 /nfs/dbraw/zinc/18/38/86/479183886.db2.gz UXGJHGYMEJVGQR-GXTWGEPZSA-N 1 0 345.852 2.739 10 5 EFBERO COc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180533 479184202 /nfs/dbraw/zinc/18/42/02/479184202.db2.gz UXGJHGYMEJVGQR-OCCSQVGLSA-N 1 0 345.852 2.739 10 5 EFBERO O=C(CC[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593115248 479184690 /nfs/dbraw/zinc/18/46/90/479184690.db2.gz BMSJHSYOQSONTR-AWEZNQCLSA-N 1 0 325.315 2.655 10 5 EFBERO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000599161032 479188832 /nfs/dbraw/zinc/18/88/32/479188832.db2.gz UYLBUAQASYUSBZ-UHFFFAOYSA-N 1 0 337.395 2.733 10 5 EFBERO COC(=O)c1c(Cl)c(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000596193147 479190601 /nfs/dbraw/zinc/19/06/01/479190601.db2.gz CFMOGIZZQSJBQU-UHFFFAOYSA-N 1 0 341.795 2.565 10 5 EFBERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599168248 479192580 /nfs/dbraw/zinc/19/25/80/479192580.db2.gz JTMRROYXQPWYRY-CDEUHXGRSA-N 1 0 345.424 2.941 10 5 EFBERO O=c1[nH]ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000596225955 479209498 /nfs/dbraw/zinc/20/94/98/479209498.db2.gz HMQYMMRQNDFCRT-LBPRGKRZSA-N 1 0 343.387 2.612 10 5 EFBERO COC(=O)c1c(Cl)c(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000596224091 479210321 /nfs/dbraw/zinc/21/03/21/479210321.db2.gz XFJBTFLTEMHNMW-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1(C)C ZINC000602174801 479217558 /nfs/dbraw/zinc/21/75/58/479217558.db2.gz URTZJPSPVCLPBU-ZIAGYGMSSA-N 1 0 330.388 2.535 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1(C)C ZINC000602174798 479217851 /nfs/dbraw/zinc/21/78/51/479217851.db2.gz URTZJPSPVCLPBU-KGLIPLIRSA-N 1 0 330.388 2.535 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000556831219 479217841 /nfs/dbraw/zinc/21/78/41/479217841.db2.gz GRXHAXCXGPLKKK-KRWDZBQOSA-N 1 0 344.411 2.817 10 5 EFBERO COc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c(Cl)cc1[N+](=O)[O-] ZINC000596256191 479227074 /nfs/dbraw/zinc/22/70/74/479227074.db2.gz BNCZUPZOHXOMFV-LLVKDONJSA-N 1 0 343.811 2.516 10 5 EFBERO Cc1c(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000610970864 479246714 /nfs/dbraw/zinc/24/67/14/479246714.db2.gz HJZQXSKEZPRTPO-UHFFFAOYSA-N 1 0 337.339 2.665 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596361257 479265067 /nfs/dbraw/zinc/26/50/67/479265067.db2.gz KLEXMWMEKCKALT-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CNc3ccccc3C2)n1 ZINC000593319566 479292235 /nfs/dbraw/zinc/29/22/35/479292235.db2.gz NOUVGPQXTYWYBY-DJIMGWMZSA-N 1 0 341.415 2.901 10 5 EFBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000593324228 479296371 /nfs/dbraw/zinc/29/63/71/479296371.db2.gz ZEJIEGNPGVATSY-MCIONIFRSA-N 1 0 325.434 2.517 10 5 EFBERO CC[C@H](NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456927 479302730 /nfs/dbraw/zinc/30/27/30/479302730.db2.gz UZOKCRWXMFILQW-CVEARBPZSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179610 479304158 /nfs/dbraw/zinc/30/41/58/479304158.db2.gz GFXDXLABHYFBBP-LLVKDONJSA-N 1 0 327.331 2.819 10 5 EFBERO Cc1c(NC(=O)CC[NH+]2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180605 479305575 /nfs/dbraw/zinc/30/55/75/479305575.db2.gz MHNKBORSBGVVFI-UHFFFAOYSA-N 1 0 339.342 2.963 10 5 EFBERO O=C1[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599552806 479331788 /nfs/dbraw/zinc/33/17/88/479331788.db2.gz IYRIWPKQSDTYDT-PMPSAXMXSA-N 1 0 347.440 2.670 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000596565395 479341664 /nfs/dbraw/zinc/34/16/64/479341664.db2.gz HORJTQCHGYCIAL-OAHLLOKOSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000596566802 479342606 /nfs/dbraw/zinc/34/26/06/479342606.db2.gz MUZDZMDEJRQJCQ-CQSZACIVSA-N 1 0 344.415 2.690 10 5 EFBERO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467384 479354490 /nfs/dbraw/zinc/35/44/90/479354490.db2.gz LRSHINLRBBSCNO-AWEZNQCLSA-N 1 0 343.431 2.581 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599626484 479358476 /nfs/dbraw/zinc/35/84/76/479358476.db2.gz WXVYUXPJKLQDRG-IMODNSLOSA-N 1 0 335.404 2.633 10 5 EFBERO CC(C)C[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000593479900 479359558 /nfs/dbraw/zinc/35/95/58/479359558.db2.gz LDEKHIBYXQEDTL-UHFFFAOYSA-N 1 0 334.420 2.869 10 5 EFBERO COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599644489 479365900 /nfs/dbraw/zinc/36/59/00/479365900.db2.gz BFXZBXOGQLSCKH-KFWWJZLASA-N 1 0 336.363 2.898 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587344479 479370524 /nfs/dbraw/zinc/37/05/24/479370524.db2.gz KBEYYJNZBKAYOG-UMVBOHGHSA-N 1 0 348.447 2.511 10 5 EFBERO Nc1cc(NC2CC[NH+](C3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587990540 479379849 /nfs/dbraw/zinc/37/98/49/479379849.db2.gz XRWSXNNXXAFJLP-UHFFFAOYSA-N 1 0 348.447 2.878 10 5 EFBERO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611439118 479380440 /nfs/dbraw/zinc/38/04/40/479380440.db2.gz DATJAOLGWMEQQL-GFCCVEGCSA-N 1 0 344.367 2.792 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502426 479397605 /nfs/dbraw/zinc/39/76/05/479397605.db2.gz SEQUOTBPBHYATL-AAEUAGOBSA-N 1 0 339.367 2.612 10 5 EFBERO COC(=O)C1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599709106 479401400 /nfs/dbraw/zinc/40/14/00/479401400.db2.gz PLGKAKIYCNMTES-RYUDHWBXSA-N 1 0 336.388 2.765 10 5 EFBERO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCCCC1 ZINC000611525054 479405113 /nfs/dbraw/zinc/40/51/13/479405113.db2.gz GYENROIYVVOKJC-UHFFFAOYSA-N 1 0 336.436 2.736 10 5 EFBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC000611525563 479406128 /nfs/dbraw/zinc/40/61/28/479406128.db2.gz KKLCMGQCIOHEHO-MRXNPFEDSA-N 1 0 348.378 2.523 10 5 EFBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000603589897 479410360 /nfs/dbraw/zinc/41/03/60/479410360.db2.gz MTTHBQKYEFFQHY-UHFFFAOYSA-N 1 0 344.371 2.621 10 5 EFBERO Cc1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593652859 479413392 /nfs/dbraw/zinc/41/33/92/479413392.db2.gz NIOGGFBXPKFUNB-IBGZPJMESA-N 1 0 326.396 2.869 10 5 EFBERO COc1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593653087 479413410 /nfs/dbraw/zinc/41/34/10/479413410.db2.gz RUJDIJRDFIDJKD-LJQANCHMSA-N 1 0 342.395 2.570 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@]3(O)CCOC3)s2)cc1 ZINC000593671375 479417998 /nfs/dbraw/zinc/41/79/98/479417998.db2.gz RQWRSJPPKQWDDP-QGZVFWFLSA-N 1 0 348.424 2.954 10 5 EFBERO COCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593694348 479424817 /nfs/dbraw/zinc/42/48/17/479424817.db2.gz YYSIJYUKKKCMSI-VURMDHGXSA-N 1 0 333.432 2.651 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694952 479425490 /nfs/dbraw/zinc/42/54/90/479425490.db2.gz UWYUUEQPZCTUFT-YERXGYGTSA-N 1 0 339.395 2.974 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000593708649 479431265 /nfs/dbraw/zinc/43/12/65/479431265.db2.gz YXIFXSFIQXIZLE-UHFFFAOYSA-N 1 0 342.399 2.622 10 5 EFBERO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829527 479442654 /nfs/dbraw/zinc/44/26/54/479442654.db2.gz HCUUDAKHZUKWJF-GFCCVEGCSA-N 1 0 345.403 2.995 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831746 479443188 /nfs/dbraw/zinc/44/31/88/479443188.db2.gz YIMAKKFQKVMJJH-GFCCVEGCSA-N 1 0 343.387 2.606 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831747 479443593 /nfs/dbraw/zinc/44/35/93/479443593.db2.gz YIMAKKFQKVMJJH-LBPRGKRZSA-N 1 0 343.387 2.606 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832903 479444200 /nfs/dbraw/zinc/44/42/00/479444200.db2.gz MUNSTHSQENJGDP-UHFFFAOYSA-N 1 0 345.403 2.949 10 5 EFBERO C[N@H+]1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833783 479444805 /nfs/dbraw/zinc/44/48/05/479444805.db2.gz YJXNNRYJBRUSIG-UHFFFAOYSA-N 1 0 341.371 2.526 10 5 EFBERO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596831881 479445442 /nfs/dbraw/zinc/44/54/42/479445442.db2.gz MDMLUCXXQYLROE-ZDUSSCGKSA-N 1 0 336.392 2.551 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837420 479446842 /nfs/dbraw/zinc/44/68/42/479446842.db2.gz DIHHAFXYAWILJC-GFCCVEGCSA-N 1 0 343.387 2.701 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611706638 479450987 /nfs/dbraw/zinc/45/09/87/479450987.db2.gz KUMMCZVXRVLCPF-BLLLJJGKSA-N 1 0 329.404 2.705 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709098 479452493 /nfs/dbraw/zinc/45/24/93/479452493.db2.gz XMDPDJNRCSJAKZ-BETUJISGSA-N 1 0 329.404 2.635 10 5 EFBERO C[C@@H](CCn1cccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959177 479463237 /nfs/dbraw/zinc/46/32/37/479463237.db2.gz AOQNFEBEPXZAGK-ZDUSSCGKSA-N 1 0 327.388 2.884 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599941233 479476640 /nfs/dbraw/zinc/47/66/40/479476640.db2.gz SUIFRBMTBGJLPN-HIFRSBDPSA-N 1 0 334.420 2.655 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599941236 479476921 /nfs/dbraw/zinc/47/69/21/479476921.db2.gz SUIFRBMTBGJLPN-ZFWWWQNUSA-N 1 0 334.420 2.655 10 5 EFBERO [NH3+]CC1(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000593914411 479507495 /nfs/dbraw/zinc/50/74/95/479507495.db2.gz KHQBTTIUARPSOC-UHFFFAOYSA-N 1 0 346.412 2.577 10 5 EFBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000575945401 479508865 /nfs/dbraw/zinc/50/88/65/479508865.db2.gz AYKBLHOKXMZKFL-CYBMUJFWSA-N 1 0 335.404 2.550 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502350 479533228 /nfs/dbraw/zinc/53/32/28/479533228.db2.gz VCBDVLPJZFGJDZ-CZUORRHYSA-N 1 0 349.431 2.544 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000589498239 479534265 /nfs/dbraw/zinc/53/42/65/479534265.db2.gz QXPZWDJPHLAZHJ-ZDUSSCGKSA-N 1 0 330.340 2.964 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000589501899 479534677 /nfs/dbraw/zinc/53/46/77/479534677.db2.gz JRBOVQIOZYVMNS-SFHVURJKSA-N 1 0 348.399 2.774 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000589513594 479535522 /nfs/dbraw/zinc/53/55/22/479535522.db2.gz KEGATDXVUQTWCL-KRWDZBQOSA-N 1 0 348.399 2.772 10 5 EFBERO COCC1(C)CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589510739 479535613 /nfs/dbraw/zinc/53/56/13/479535613.db2.gz KZVXZDTVALHQHC-UHFFFAOYSA-N 1 0 336.388 2.630 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506627 479535983 /nfs/dbraw/zinc/53/59/83/479535983.db2.gz LIJVGEADNALDKG-JKSUJKDBSA-N 1 0 348.399 2.819 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]2(C)CCCO)c1 ZINC000589516138 479537649 /nfs/dbraw/zinc/53/76/49/479537649.db2.gz HATHSXACWIOOGE-QGZVFWFLSA-N 1 0 336.388 2.508 10 5 EFBERO CCC(C)(C)[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000594019837 479552006 /nfs/dbraw/zinc/55/20/06/479552006.db2.gz AAHPXXUJHZKPBL-UHFFFAOYSA-N 1 0 349.431 2.688 10 5 EFBERO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCO1 ZINC000594043874 479564447 /nfs/dbraw/zinc/56/44/47/479564447.db2.gz PBBPTLWVMOBCJY-HZPDHXFCSA-N 1 0 336.388 2.899 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590052938 479596602 /nfs/dbraw/zinc/59/66/02/479596602.db2.gz QRWBQCKEUGZGRP-CZUORRHYSA-N 1 0 344.440 2.854 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000597172762 479605320 /nfs/dbraw/zinc/60/53/20/479605320.db2.gz CCBPAYLHHATVRL-SCZPIIQISA-N 1 0 327.388 2.612 10 5 EFBERO CO[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597188278 479612194 /nfs/dbraw/zinc/61/21/94/479612194.db2.gz SIOHLUCSWURSDP-GOSISDBHSA-N 1 0 346.383 2.828 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000597224645 479630166 /nfs/dbraw/zinc/63/01/66/479630166.db2.gz NIIAEJANWYBGAZ-OOXMNIKJSA-N 1 0 346.431 2.686 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000597225809 479630847 /nfs/dbraw/zinc/63/08/47/479630847.db2.gz VHLSBYGVBWZUMH-KGLIPLIRSA-N 1 0 344.415 2.995 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000597231850 479633799 /nfs/dbraw/zinc/63/37/99/479633799.db2.gz RUENYLHZMGHJBI-ZYHUDNBSSA-N 1 0 328.315 2.665 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590441272 479648127 /nfs/dbraw/zinc/64/81/27/479648127.db2.gz CZHGDNPBHNXKDA-DOMZBBRYSA-N 1 0 349.456 2.871 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000590442470 479648245 /nfs/dbraw/zinc/64/82/45/479648245.db2.gz HEQWABBEYIZQLN-GXFFZTMASA-N 1 0 331.397 2.586 10 5 EFBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303186 479652294 /nfs/dbraw/zinc/65/22/94/479652294.db2.gz GHFCTHZDBLHTQR-ACJLOTCBSA-N 1 0 349.434 2.846 10 5 EFBERO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000609465985 480164137 /nfs/dbraw/zinc/16/41/37/480164137.db2.gz VMQNQNAIPAADJP-QGZVFWFLSA-N 1 0 325.368 2.532 10 5 EFBERO CC[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)[NH2+]1 ZINC000620899333 480265033 /nfs/dbraw/zinc/26/50/33/480265033.db2.gz CUJGUIKGCSXNPR-DZGCQCFKSA-N 1 0 349.434 2.894 10 5 EFBERO COC1CCC(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610540427 480333046 /nfs/dbraw/zinc/33/30/46/480333046.db2.gz CXZMONUXOGSHOX-UHFFFAOYSA-N 1 0 336.388 2.661 10 5 EFBERO CCO[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C[NH3+] ZINC000653247226 481177732 /nfs/dbraw/zinc/17/77/32/481177732.db2.gz RKZAOHLSTOJCMG-DNVCBOLYSA-N 1 0 349.434 2.824 10 5 EFBERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230071 533793787 /nfs/dbraw/zinc/79/37/87/533793787.db2.gz NESYONRCNIJBOP-DGCLKSJQSA-N 1 0 325.384 2.657 10 5 EFBERO Cc1c(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160006929 533837147 /nfs/dbraw/zinc/83/71/47/533837147.db2.gz MCQGOPJKTKVEEL-QGZVFWFLSA-N 1 0 341.411 2.865 10 5 EFBERO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000077322825 519654062 /nfs/dbraw/zinc/65/40/62/519654062.db2.gz VMNKIJNZLQVKSM-UHFFFAOYSA-N 1 0 336.388 2.851 10 5 EFBERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153796577 519791497 /nfs/dbraw/zinc/79/14/97/519791497.db2.gz CAFFYQRJOGLLPF-CQSZACIVSA-N 1 0 333.432 2.968 10 5 EFBERO CCC[NH2+]CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000154300948 519917415 /nfs/dbraw/zinc/91/74/15/519917415.db2.gz PSOZQTWNCRDKIU-CQSZACIVSA-N 1 0 348.447 2.561 10 5 EFBERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245706205 519920424 /nfs/dbraw/zinc/92/04/24/519920424.db2.gz FDHYIFWPXKNHOX-IQIBNGDESA-N 1 0 333.432 2.651 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119102843 520898373 /nfs/dbraw/zinc/89/83/73/520898373.db2.gz DZURBCUNOFRJTL-GJZGRUSLSA-N 1 0 347.415 2.550 10 5 EFBERO CCOc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000236904443 520906536 /nfs/dbraw/zinc/90/65/36/520906536.db2.gz LOHFEKUHFQBNBZ-UHFFFAOYSA-N 1 0 335.404 2.775 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000119093889 521645097 /nfs/dbraw/zinc/64/50/97/521645097.db2.gz YVRFXPLKJNQTJR-HNNXBMFYSA-N 1 0 346.431 2.753 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245477837 521652995 /nfs/dbraw/zinc/65/29/95/521652995.db2.gz USRKBEHFKYTOQG-CABCVRRESA-N 1 0 348.447 2.646 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443628 521713190 /nfs/dbraw/zinc/71/31/90/521713190.db2.gz XIYVBEZFRQNJGL-WMLDXEAASA-N 1 0 348.447 2.504 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179659974 521751935 /nfs/dbraw/zinc/75/19/35/521751935.db2.gz QXQUXXXFXOGRCO-ZDUSSCGKSA-N 1 0 335.429 2.627 10 5 EFBERO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000112919149 522067611 /nfs/dbraw/zinc/06/76/11/522067611.db2.gz IQKVDULSJLFMPK-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000191139300 522067636 /nfs/dbraw/zinc/06/76/36/522067636.db2.gz RMVOAZTXKPMORR-UHFFFAOYSA-N 1 0 347.415 2.612 10 5 EFBERO CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708787 522419788 /nfs/dbraw/zinc/41/97/88/522419788.db2.gz XMUVXMTWANPUPQ-KRWDZBQOSA-N 1 0 346.431 2.926 10 5 EFBERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053558 522884468 /nfs/dbraw/zinc/88/44/68/522884468.db2.gz WZWAQOMLIBVELW-MRXNPFEDSA-N 1 0 338.371 2.811 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000245935716 523318240 /nfs/dbraw/zinc/31/82/40/523318240.db2.gz KVQHICAIYHALSV-HOTGVXAUSA-N 1 0 331.416 2.531 10 5 EFBERO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408415 523880662 /nfs/dbraw/zinc/88/06/62/523880662.db2.gz HBMCNYGUZXICCH-CJNGLKHVSA-N 1 0 333.432 2.960 10 5 EFBERO COCCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180234806 524011153 /nfs/dbraw/zinc/01/11/53/524011153.db2.gz IXIFDESQJGSVNA-GOSISDBHSA-N 1 0 330.384 2.937 10 5 EFBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1cccc(F)c1 ZINC000245571882 524291409 /nfs/dbraw/zinc/29/14/09/524291409.db2.gz BXTLMBXDNJNSJL-SCLBCKFNSA-N 1 0 345.374 2.979 10 5 EFBERO Cc1ccc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 ZINC000117333737 524392845 /nfs/dbraw/zinc/39/28/45/524392845.db2.gz NUTURCSPHWOODU-UHFFFAOYSA-N 1 0 345.355 2.926 10 5 EFBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245444529 525446379 /nfs/dbraw/zinc/44/63/79/525446379.db2.gz JSANPRHLTOTXFT-KGLIPLIRSA-N 1 0 347.415 2.691 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176751187 525701107 /nfs/dbraw/zinc/70/11/07/525701107.db2.gz GLNKSLKDVOWZHP-CQSZACIVSA-N 1 0 346.431 2.844 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171642040 534886697 /nfs/dbraw/zinc/88/66/97/534886697.db2.gz IIHNSJMQFVANNA-HNNXBMFYSA-N 1 0 342.399 2.803 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176751205 525895739 /nfs/dbraw/zinc/89/57/39/525895739.db2.gz GLNKSLKDVOWZHP-AWEZNQCLSA-N 1 0 346.431 2.844 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605379 525988254 /nfs/dbraw/zinc/98/82/54/525988254.db2.gz KRAIZCFKPXYGSU-CYBMUJFWSA-N 1 0 349.456 2.772 10 5 EFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518369 526920188 /nfs/dbraw/zinc/92/01/88/526920188.db2.gz IKFAQPQDNYTQRU-AWEZNQCLSA-N 1 0 346.387 2.620 10 5 EFBERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195518225 526924096 /nfs/dbraw/zinc/92/40/96/526924096.db2.gz QMFVFYCMMPROMV-CQSZACIVSA-N 1 0 346.387 2.620 10 5 EFBERO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000174639822 527062021 /nfs/dbraw/zinc/06/20/21/527062021.db2.gz TULYYVXYZYWPBG-UHFFFAOYSA-N 1 0 334.825 2.551 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193673694 527349028 /nfs/dbraw/zinc/34/90/28/527349028.db2.gz OSCMQRPXSVUGRY-UHFFFAOYSA-N 1 0 334.376 2.563 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)c1 ZINC000180853551 527393709 /nfs/dbraw/zinc/39/37/09/527393709.db2.gz IFJINPAEUYRJQV-QFBILLFUSA-N 1 0 349.394 2.880 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000129059854 527403930 /nfs/dbraw/zinc/40/39/30/527403930.db2.gz GXVHKMZEPFESLN-LSDHHAIUSA-N 1 0 330.388 2.944 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184199256 527525541 /nfs/dbraw/zinc/52/55/41/527525541.db2.gz JNJJPSQWVPHYAB-ZTODGRRHSA-N 1 0 331.416 2.939 10 5 EFBERO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174025468 528165657 /nfs/dbraw/zinc/16/56/57/528165657.db2.gz ADUGIFFQKIEMPH-LBPRGKRZSA-N 1 0 325.434 2.997 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000164175112 528183569 /nfs/dbraw/zinc/18/35/69/528183569.db2.gz OAAPBUDURBSEFQ-UHFFFAOYSA-N 1 0 333.432 2.684 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175435992 529088889 /nfs/dbraw/zinc/08/88/89/529088889.db2.gz TZXSAASOFYBCCH-AWEZNQCLSA-N 1 0 334.420 2.613 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126415 534942234 /nfs/dbraw/zinc/94/22/34/534942234.db2.gz KDYXVDNXYMHEAO-UKRRQHHQSA-N 1 0 349.431 2.937 10 5 EFBERO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412188879 534942468 /nfs/dbraw/zinc/94/24/68/534942468.db2.gz FECMGAMSYMJMDH-HNNXBMFYSA-N 1 0 347.415 2.691 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[NH+]2CCC1CC2 ZINC000347930462 536067463 /nfs/dbraw/zinc/06/74/63/536067463.db2.gz SHTYCYWRFYUKGN-AWEZNQCLSA-N 1 0 345.424 2.976 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046578 546379292 /nfs/dbraw/zinc/37/92/92/546379292.db2.gz WMECYDVKHLHPOS-SNVBAGLBSA-N 1 0 341.358 2.997 10 5 EFBERO CC[NH+]1CCC(N(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755230024 575562931 /nfs/dbraw/zinc/56/29/31/575562931.db2.gz AGOMSLNLPNYIIR-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C/C(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000762706011 576326147 /nfs/dbraw/zinc/32/61/47/576326147.db2.gz JKSPDFQCOMEXHO-SQFISAMPSA-N 1 0 329.400 2.766 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000765006846 576535634 /nfs/dbraw/zinc/53/56/34/576535634.db2.gz YYXAGZCMNZMRML-YJBOKZPZSA-N 1 0 327.384 2.588 10 5 EFBERO CC[C@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765408558 577038799 /nfs/dbraw/zinc/03/87/99/577038799.db2.gz AEFJQXRJKKABMM-KRWDZBQOSA-N 1 0 327.384 2.977 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000768651616 577292048 /nfs/dbraw/zinc/29/20/48/577292048.db2.gz LNVNVMBMAHFLSC-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO CC[N@H+](CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC000726594479 577374841 /nfs/dbraw/zinc/37/48/41/577374841.db2.gz AYGFVXIPPSPYIJ-VQHVLOKHSA-N 1 0 335.404 2.923 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000772280638 581303564 /nfs/dbraw/zinc/30/35/64/581303564.db2.gz YYIGBHOIBMSWHI-NSHDSACASA-N 1 0 325.796 2.580 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000823754706 1265424486 /nfs/dbraw/zinc/42/44/86/1265424486.db2.gz GDEVYTPQUSVSKT-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[C@@H]1Cc2cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000922308059 1265435717 /nfs/dbraw/zinc/43/57/17/1265435717.db2.gz VHHVIRHQDPBDGF-YJYMSZOUSA-N 1 0 342.395 2.916 10 5 EFBERO C[C@H]1Cc2cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000922308058 1265436010 /nfs/dbraw/zinc/43/60/10/1265436010.db2.gz VHHVIRHQDPBDGF-ORAYPTAESA-N 1 0 342.395 2.916 10 5 EFBERO COc1cc(C[NH2+]CCC2SCCS2)c([N+](=O)[O-])cc1O ZINC000850407512 1250469640 /nfs/dbraw/zinc/46/96/40/1250469640.db2.gz BYHJRTDDSOMBRE-UHFFFAOYSA-N 1 0 330.431 2.595 10 5 EFBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000850484712 1250499685 /nfs/dbraw/zinc/49/96/85/1250499685.db2.gz OVGBXOCMQDHSAG-GFCCVEGCSA-N 1 0 342.399 2.664 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490809 1250505585 /nfs/dbraw/zinc/50/55/85/1250505585.db2.gz GZQPGVQPPHHSST-ZQJOYCHOSA-N 1 0 338.351 2.865 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000850716007 1250575567 /nfs/dbraw/zinc/57/55/67/1250575567.db2.gz QOGFHHZXLKCHCD-FFHQTSAVSA-N 1 0 343.427 2.989 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CCF)CC1 ZINC001691512287 1251074302 /nfs/dbraw/zinc/07/43/02/1251074302.db2.gz YTDNKDGHAIAFGE-CTYIDZIISA-N 1 0 349.406 2.719 10 5 EFBERO CC(C)n1cccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691606294 1251817263 /nfs/dbraw/zinc/81/72/63/1251817263.db2.gz ZSFKEFCFVYXKSG-UHFFFAOYSA-N 1 0 344.415 2.839 10 5 EFBERO CN1C[C@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000922489617 1266130478 /nfs/dbraw/zinc/13/04/78/1266130478.db2.gz RCYXOLMOZCHIMH-CYBMUJFWSA-N 1 0 343.383 2.813 10 5 EFBERO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922516264 1266169876 /nfs/dbraw/zinc/16/98/76/1266169876.db2.gz FIKCLBXIAZPGCS-AEFFLSMTSA-N 1 0 342.399 2.652 10 5 EFBERO [NH3+]Cc1cccc2c1N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000923400831 1261611423 /nfs/dbraw/zinc/61/14/23/1261611423.db2.gz FNANNTSMCWMVDZ-QGZVFWFLSA-N 1 0 327.384 2.540 10 5 EFBERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000923451554 1261688629 /nfs/dbraw/zinc/68/86/29/1261688629.db2.gz OGQPNYKEUGVIAY-DYVFJYSZSA-N 1 0 346.431 2.972 10 5 EFBERO [NH3+]CC[C@H]1Cc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923546531 1261884015 /nfs/dbraw/zinc/88/40/15/1261884015.db2.gz VRGAYJPANLHVCS-LIRRHRJNSA-N 1 0 341.411 2.656 10 5 EFBERO CC(C)(C)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001486518922 1263306569 /nfs/dbraw/zinc/30/65/69/1263306569.db2.gz BGYGEZDLBAEBRD-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000820621280 1264796513 /nfs/dbraw/zinc/79/65/13/1264796513.db2.gz NMQXSTJVMRGDJB-CYBMUJFWSA-N 1 0 349.456 2.772 10 5 EFBERO CCOc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000823366333 1265317669 /nfs/dbraw/zinc/31/76/69/1265317669.db2.gz GVDJHPZSCVUWSC-UHFFFAOYSA-N 1 0 348.403 2.742 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000823391919 1265329158 /nfs/dbraw/zinc/32/91/58/1265329158.db2.gz FWCQBXSLKYXIGI-LSDHHAIUSA-N 1 0 347.415 2.596 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000823391916 1265329998 /nfs/dbraw/zinc/32/99/98/1265329998.db2.gz FWCQBXSLKYXIGI-CABCVRRESA-N 1 0 347.415 2.596 10 5 EFBERO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922687296 1266591038 /nfs/dbraw/zinc/59/10/38/1266591038.db2.gz PQJAMWZNJJKBIE-UHFFFAOYSA-N 1 0 348.424 2.721 10 5 EFBERO CCO[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000922757948 1266743782 /nfs/dbraw/zinc/74/37/82/1266743782.db2.gz XXUBDKIDRCZJFY-HNNXBMFYSA-N 1 0 347.415 2.911 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cc(F)c[nH]1 ZINC001273122626 1268566408 /nfs/dbraw/zinc/56/64/08/1268566408.db2.gz WPIUWBCXJGNJEN-UHFFFAOYSA-N 1 0 346.362 2.504 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C(F)F)CC1 ZINC001273374630 1269155063 /nfs/dbraw/zinc/15/50/63/1269155063.db2.gz MCBZCTFWHQAHRH-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742427923 1270048846 /nfs/dbraw/zinc/04/88/46/1270048846.db2.gz UJCPFOBMKPJSFQ-CFNZNRNTSA-N 1 0 333.388 2.677 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742427925 1270049167 /nfs/dbraw/zinc/04/91/67/1270049167.db2.gz UJCPFOBMKPJSFQ-STMXVASLSA-N 1 0 333.388 2.677 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000843834593 1278601517 /nfs/dbraw/zinc/60/15/17/1278601517.db2.gz MBWLGOZLISYVAI-UHFFFAOYSA-N 1 0 337.395 2.893 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)C2CCOCC2)c1 ZINC000844325540 1278912788 /nfs/dbraw/zinc/91/27/88/1278912788.db2.gz ZLVYMUIHRVYELC-UHFFFAOYSA-N 1 0 336.388 2.676 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844439610 1279008332 /nfs/dbraw/zinc/00/83/32/1279008332.db2.gz PDJMPFFQYPQJML-HNNXBMFYSA-N 1 0 339.342 2.963 10 5 EFBERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525048 1276199843 /nfs/dbraw/zinc/19/98/43/1276199843.db2.gz BHCJOFZNHHRWID-ZDUSSCGKSA-N 1 0 341.415 2.892 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922952756 1276385190 /nfs/dbraw/zinc/38/51/90/1276385190.db2.gz HXBMYJPIYUIHMB-FERCGXDMSA-N 1 0 345.443 2.841 10 5 EFBERO COc1cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922969993 1276432198 /nfs/dbraw/zinc/43/21/98/1276432198.db2.gz YNOPSKLONHIKQK-ZDUSSCGKSA-N 1 0 336.388 2.890 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)o2)c1 ZINC000788975712 1276443876 /nfs/dbraw/zinc/44/38/76/1276443876.db2.gz NGZGWIUPHGAUDP-ZDUSSCGKSA-N 1 0 330.262 2.868 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001136133823 1276503960 /nfs/dbraw/zinc/50/39/60/1276503960.db2.gz SGUMSQRCSUPOGG-UHFFFAOYSA-N 1 0 331.416 2.852 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000818968547 1276572957 /nfs/dbraw/zinc/57/29/57/1276572957.db2.gz UKIYJJOWNZLTMP-HNNXBMFYSA-N 1 0 338.310 2.705 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000819178338 1276659951 /nfs/dbraw/zinc/65/99/51/1276659951.db2.gz VEZKHAVRDLQEJG-KRWDZBQOSA-N 1 0 330.388 2.730 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000819374005 1276760346 /nfs/dbraw/zinc/76/03/46/1276760346.db2.gz FJKUUUDEPUNMCF-YJBOKZPZSA-N 1 0 345.374 2.636 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000819374000 1276760673 /nfs/dbraw/zinc/76/06/73/1276760673.db2.gz FJKUUUDEPUNMCF-CRAIPNDOSA-N 1 0 345.374 2.636 10 5 EFBERO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2)c1 ZINC000789548125 1276805089 /nfs/dbraw/zinc/80/50/89/1276805089.db2.gz ZZUOEAXZCFWJBT-SFHVURJKSA-N 1 0 342.399 2.918 10 5 EFBERO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)c1 ZINC000844915546 1279335647 /nfs/dbraw/zinc/33/56/47/1279335647.db2.gz GGKAUFOIPAXXBC-KBPBESRZSA-N 1 0 344.371 2.780 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccnc3F)CC2)cc1 ZINC000793279607 1279525283 /nfs/dbraw/zinc/52/52/83/1279525283.db2.gz FFIZOTHNEGQOHA-UHFFFAOYSA-N 1 0 330.363 2.888 10 5 EFBERO C[C@H]([NH2+]CCc1nnc2ccccn21)c1c(F)cccc1[N+](=O)[O-] ZINC000872018468 1287401422 /nfs/dbraw/zinc/40/14/22/1287401422.db2.gz LTQJFCHEJBIKQU-NSHDSACASA-N 1 0 329.335 2.670 10 5 EFBERO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021167 1287402842 /nfs/dbraw/zinc/40/28/42/1287402842.db2.gz NTAKYVOHUHURMK-NSHDSACASA-N 1 0 335.379 2.786 10 5 EFBERO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872030249 1287405931 /nfs/dbraw/zinc/40/59/31/1287405931.db2.gz BTUZVMRJANVXON-GHMZBOCLSA-N 1 0 325.340 2.615 10 5 EFBERO CCNc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001129553521 1280249404 /nfs/dbraw/zinc/24/94/04/1280249404.db2.gz DKWGIXCKSFTWKE-UHFFFAOYSA-N 1 0 339.355 2.604 10 5 EFBERO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038229 1287408639 /nfs/dbraw/zinc/40/86/39/1287408639.db2.gz LWAGAKXPOCTEBS-CHWSQXEVSA-N 1 0 326.368 2.828 10 5 EFBERO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872040261 1287408770 /nfs/dbraw/zinc/40/87/70/1287408770.db2.gz YYQKGBKRYVGLOM-GFCCVEGCSA-N 1 0 345.374 2.987 10 5 EFBERO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048603 1287411411 /nfs/dbraw/zinc/41/14/11/1287411411.db2.gz KFKLBCUNMPWULF-SDDRHHMPSA-N 1 0 344.408 2.740 10 5 EFBERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086012 1287424205 /nfs/dbraw/zinc/42/42/05/1287424205.db2.gz SYSKVLCBGVXDOS-LLVKDONJSA-N 1 0 344.408 2.599 10 5 EFBERO CC[N@H+](CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC000825574838 1287424518 /nfs/dbraw/zinc/42/45/18/1287424518.db2.gz BXDUCVCYTMINDJ-UHFFFAOYSA-N 1 0 343.815 2.682 10 5 EFBERO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872093051 1287426369 /nfs/dbraw/zinc/42/63/69/1287426369.db2.gz UGTIMTVZJBJFEF-OLZOCXBDSA-N 1 0 338.379 2.970 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1 ZINC000872108016 1287430393 /nfs/dbraw/zinc/43/03/93/1287430393.db2.gz QRQUYMVFVAAUOP-GVRJEKJASA-N 1 0 334.420 2.822 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872108474 1287430436 /nfs/dbraw/zinc/43/04/36/1287430436.db2.gz ZPCBTRMIWYKVIN-WFASDCNBSA-N 1 0 335.404 2.717 10 5 EFBERO O=C1OCC[C@H]1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872112466 1287432302 /nfs/dbraw/zinc/43/23/02/1287432302.db2.gz BXJPBOHCUVUINB-GDBMZVCRSA-N 1 0 332.400 2.849 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000846988515 1280676335 /nfs/dbraw/zinc/67/63/35/1280676335.db2.gz MHVQWFVVXVZMKD-WCRPCQDQSA-N 1 0 331.416 2.941 10 5 EFBERO O=[N+]([O-])c1ccc(C2(c3nc(CC4CC[NH2+]CC4)no3)CCC2)cc1 ZINC000872170422 1287458795 /nfs/dbraw/zinc/45/87/95/1287458795.db2.gz BBBOGQRMYBCRKC-UHFFFAOYSA-N 1 0 342.399 2.990 10 5 EFBERO Cc1cc(Cc2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000872174884 1287461974 /nfs/dbraw/zinc/46/19/74/1287461974.db2.gz GWIZKMGEFLMOKD-SCXUMTSISA-N 1 0 328.372 2.890 10 5 EFBERO CC[NH+](CC)CC[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000808058784 1281508916 /nfs/dbraw/zinc/50/89/16/1281508916.db2.gz WFGCTCTUHLQYEB-NSHDSACASA-N 1 0 338.433 2.709 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](C4CC4)C3)n2)c1 ZINC000808230019 1281598733 /nfs/dbraw/zinc/59/87/33/1281598733.db2.gz FQOCQFMGFSBCIC-HNNXBMFYSA-N 1 0 327.388 2.933 10 5 EFBERO [NH3+]CCN(Cc1cc(-n2ccnc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000809735276 1282414301 /nfs/dbraw/zinc/41/43/01/1282414301.db2.gz YVVXJIKFZRUMLF-UHFFFAOYSA-N 1 0 343.412 2.807 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC001175890541 1287578836 /nfs/dbraw/zinc/57/88/36/1287578836.db2.gz BENLQHOPRANWTH-YPMHNXCESA-N 1 0 346.387 2.799 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000810556549 1283336338 /nfs/dbraw/zinc/33/63/38/1283336338.db2.gz PUBOEKFTKFMZAT-INIZCTEOSA-N 1 0 342.342 2.990 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000811444853 1284319963 /nfs/dbraw/zinc/31/99/63/1284319963.db2.gz MOZMUGPYCZLZKI-MRXNPFEDSA-N 1 0 342.342 2.990 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000811446908 1284323810 /nfs/dbraw/zinc/32/38/10/1284323810.db2.gz YIFLWMQQTWGFLD-MRXNPFEDSA-N 1 0 342.342 2.990 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000811449539 1284326043 /nfs/dbraw/zinc/32/60/43/1284326043.db2.gz RQHJPPRAHUCUOM-MRXNPFEDSA-N 1 0 342.342 2.990 10 5 EFBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000811483972 1284343114 /nfs/dbraw/zinc/34/31/14/1284343114.db2.gz NIWGMJVRFZCTII-AWEZNQCLSA-N 1 0 349.214 2.780 10 5 EFBERO C[NH+](C)CCCCCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747769903 1284935733 /nfs/dbraw/zinc/93/57/33/1284935733.db2.gz WRHJRSRUUTVSGI-UHFFFAOYSA-N 1 0 346.387 2.669 10 5 EFBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442126 1285910623 /nfs/dbraw/zinc/91/06/23/1285910623.db2.gz FDYGSBWTWOVGLN-SECBINFHSA-N 1 0 332.187 2.726 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001134550953 1286902026 /nfs/dbraw/zinc/90/20/26/1286902026.db2.gz SAJQAPWNSACGGF-FCEWJHQRSA-N 1 0 345.443 2.574 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001134550954 1286902541 /nfs/dbraw/zinc/90/25/41/1286902541.db2.gz SAJQAPWNSACGGF-MDZRGWNJSA-N 1 0 345.443 2.574 10 5 EFBERO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)nc1 ZINC000822863788 1289142368 /nfs/dbraw/zinc/14/23/68/1289142368.db2.gz UQMZSVHRLFPGCB-BPNCWPANSA-N 1 0 329.360 2.557 10 5 EFBERO Cn1cc([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880468 1288159265 /nfs/dbraw/zinc/15/92/65/1288159265.db2.gz VNPAVYSQURUHOI-NSHDSACASA-N 1 0 335.795 2.756 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822965279 1289168329 /nfs/dbraw/zinc/16/83/29/1289168329.db2.gz HAWVZKVYLQRPRG-AWEZNQCLSA-N 1 0 345.374 2.637 10 5 EFBERO CCC[NH+]1CCC(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])CC1 ZINC001135813676 1288410308 /nfs/dbraw/zinc/41/03/08/1288410308.db2.gz OTWIIZXVZGCHHO-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817483040 1288614328 /nfs/dbraw/zinc/61/43/28/1288614328.db2.gz BQZWKBAOXOBPMG-OUKQBFOZSA-N 1 0 331.416 2.987 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001136568859 1288931640 /nfs/dbraw/zinc/93/16/40/1288931640.db2.gz ULKNBPJHORPXTC-UHFFFAOYSA-N 1 0 337.395 2.894 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001136754870 1289394694 /nfs/dbraw/zinc/39/46/94/1289394694.db2.gz GTXLLWVBFFTFMF-ZDUSSCGKSA-N 1 0 335.404 2.598 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000824106745 1289531271 /nfs/dbraw/zinc/53/12/71/1289531271.db2.gz PIOJDCKTXVZKDI-VQDLFCJRSA-N 1 0 329.400 2.741 10 5 EFBERO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)F ZINC000824637225 1289734624 /nfs/dbraw/zinc/73/46/24/1289734624.db2.gz WXEPECBVZPVNLH-HUUCEWRRSA-N 1 0 343.374 2.558 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001181841019 1289971755 /nfs/dbraw/zinc/97/17/55/1289971755.db2.gz VDRGZFLQXZGZJB-MRXNPFEDSA-N 1 0 331.416 2.569 10 5 EFBERO Cn1c2ccccc2c(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1=O ZINC001186790007 1291019739 /nfs/dbraw/zinc/01/97/39/1291019739.db2.gz FKHUYQOTDWAVTK-KBPBESRZSA-N 1 0 344.415 2.587 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880677 1291262089 /nfs/dbraw/zinc/26/20/89/1291262089.db2.gz NOMXQTBFHBEPQP-UJAVWCLSSA-N 1 0 345.399 2.535 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880675 1291262227 /nfs/dbraw/zinc/26/22/27/1291262227.db2.gz NOMXQTBFHBEPQP-QTLSWZBMSA-N 1 0 345.399 2.535 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880515126 1292525903 /nfs/dbraw/zinc/52/59/03/1292525903.db2.gz RFAQQAPSBYHRMV-VMGRFDJRSA-N 1 0 333.388 2.613 10 5 EFBERO C[C@H](CN1CCOCC1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001191683518 1292626637 /nfs/dbraw/zinc/62/66/37/1292626637.db2.gz XEYZPVVKEKLFPG-OAHLLOKOSA-N 1 0 333.432 2.528 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001192313281 1292863937 /nfs/dbraw/zinc/86/39/37/1292863937.db2.gz CCMYGQAWKVOFBV-WDEREUQCSA-N 1 0 342.237 2.882 10 5 EFBERO C[C@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192387441 1292887639 /nfs/dbraw/zinc/88/76/39/1292887639.db2.gz CAYJGCQGBBPSSX-OAHLLOKOSA-N 1 0 333.432 2.528 10 5 EFBERO CC(=O)c1c(NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000881995695 1293072330 /nfs/dbraw/zinc/07/23/30/1293072330.db2.gz SXRYZPYJGFTSFE-CQSZACIVSA-N 1 0 347.415 2.710 10 5 EFBERO CC(=O)c1c(NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882265087 1293145544 /nfs/dbraw/zinc/14/55/44/1293145544.db2.gz PPCKDVPRCRHDAT-CYBMUJFWSA-N 1 0 335.404 2.710 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001194262296 1293574499 /nfs/dbraw/zinc/57/44/99/1293574499.db2.gz MAMPPSNECPOAPR-FUHWJXTLSA-N 1 0 334.416 2.797 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001194262299 1293574667 /nfs/dbraw/zinc/57/46/67/1293574667.db2.gz MAMPPSNECPOAPR-WMZOPIPTSA-N 1 0 334.416 2.797 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000883402795 1293580780 /nfs/dbraw/zinc/58/07/80/1293580780.db2.gz AEZQFUJHMQMRIE-DJXGBFBFSA-N 1 0 329.400 2.599 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000885935710 1294570156 /nfs/dbraw/zinc/57/01/56/1294570156.db2.gz PQTGPQOSTHKFBV-ZWKOTPCHSA-N 1 0 331.416 2.674 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])c1 ZINC001197681884 1294667004 /nfs/dbraw/zinc/66/70/04/1294667004.db2.gz LJRSNKXHOXVECK-UHFFFAOYSA-N 1 0 335.360 2.678 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCC3)CO1)OCCO2 ZINC000886318125 1294848875 /nfs/dbraw/zinc/84/88/75/1294848875.db2.gz KLTKAJBHFBXCDX-CQSZACIVSA-N 1 0 348.399 2.805 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001198612300 1295148138 /nfs/dbraw/zinc/14/81/38/1295148138.db2.gz NDSJLMJFIAANLV-UONOGXRCSA-N 1 0 329.404 2.972 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198761846 1295238625 /nfs/dbraw/zinc/23/86/25/1295238625.db2.gz RLTRHUKZADNJRX-QGZVFWFLSA-N 1 0 336.388 2.627 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001274112760 1295463149 /nfs/dbraw/zinc/46/31/49/1295463149.db2.gz OULJKCNTFMVGOE-OWOJBTEDSA-N 1 0 329.400 2.547 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCC1 ZINC001274153023 1295514882 /nfs/dbraw/zinc/51/48/82/1295514882.db2.gz IFJSWQWSOKCJMD-ONEGZZNKSA-N 1 0 335.379 2.639 10 5 EFBERO C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000925764217 1296876219 /nfs/dbraw/zinc/87/62/19/1296876219.db2.gz XGLFCLGYGIHESS-SKDRFNHKSA-N 1 0 328.210 2.587 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000926852012 1296967289 /nfs/dbraw/zinc/96/72/89/1296967289.db2.gz WNTXUBRVTRZGOT-VIFPVBQESA-N 1 0 331.210 2.854 10 5 EFBERO C[NH+](C)C1(C)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000931353291 1297330543 /nfs/dbraw/zinc/33/05/43/1297330543.db2.gz CUBQAZFRHXSHJY-UHFFFAOYSA-N 1 0 345.403 2.561 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[NH+](CCCCCO)CC2)ccc1Cl ZINC000931497155 1297347714 /nfs/dbraw/zinc/34/77/14/1297347714.db2.gz OFQDKQRUYJGGDK-UHFFFAOYSA-N 1 0 341.839 2.528 10 5 EFBERO CCOc1cc(CN2CCc3[nH+]ccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000931518962 1297350097 /nfs/dbraw/zinc/35/00/97/1297350097.db2.gz PHLIVUCYMZQAGE-UHFFFAOYSA-N 1 0 328.372 2.529 10 5 EFBERO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000931627305 1297357933 /nfs/dbraw/zinc/35/79/33/1297357933.db2.gz ZMIYUBZZHAYHGL-GXSJLCMTSA-N 1 0 326.784 2.771 10 5 EFBERO CC(C)c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000903974047 1313521187 /nfs/dbraw/zinc/52/11/87/1313521187.db2.gz KHOJUSQGBSOGTI-MRXNPFEDSA-N 1 0 347.459 2.967 10 5 EFBERO Cc1cocc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001490236566 1298656437 /nfs/dbraw/zinc/65/64/37/1298656437.db2.gz KNZYMZBYKREKKP-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO [NH3+][C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903982876 1313534905 /nfs/dbraw/zinc/53/49/05/1313534905.db2.gz YHLLYVAKPPAERP-UNIPXTFRSA-N 1 0 329.322 2.820 10 5 EFBERO [NH3+][C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000903984360 1313537464 /nfs/dbraw/zinc/53/74/64/1313537464.db2.gz UVBRZSVVTNFJOG-JQWIXIFHSA-N 1 0 337.729 2.960 10 5 EFBERO CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001490616395 1299043278 /nfs/dbraw/zinc/04/32/78/1299043278.db2.gz GBBCIJKXMQHRFZ-MBZYTVFJSA-N 1 0 337.464 2.711 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000852086965 1299542075 /nfs/dbraw/zinc/54/20/75/1299542075.db2.gz YNLAYWHOICTEEL-YJBOKZPZSA-N 1 0 327.384 2.903 10 5 EFBERO COC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320906 1299655233 /nfs/dbraw/zinc/65/52/33/1299655233.db2.gz HEVGXBGRACPILR-AWEZNQCLSA-N 1 0 328.796 2.779 10 5 EFBERO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320907 1299655275 /nfs/dbraw/zinc/65/52/75/1299655275.db2.gz HEVGXBGRACPILR-CQSZACIVSA-N 1 0 328.796 2.779 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000852561617 1299757899 /nfs/dbraw/zinc/75/78/99/1299757899.db2.gz QOFGCRVXXCTLEA-GDBMZVCRSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000776604606 1299776677 /nfs/dbraw/zinc/77/66/77/1299776677.db2.gz CZGFOEPDNAPMAG-HZPDHXFCSA-N 1 0 332.404 2.739 10 5 EFBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC000853542641 1300157326 /nfs/dbraw/zinc/15/73/26/1300157326.db2.gz FHDFUFRQQPPUKP-HDICACEKSA-N 1 0 342.399 2.774 10 5 EFBERO CN(CC1C[NH+](C)C1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000853825802 1300297960 /nfs/dbraw/zinc/29/79/60/1300297960.db2.gz VQMPTOHMYQFQMA-UHFFFAOYSA-N 1 0 348.281 2.520 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965272 1300367204 /nfs/dbraw/zinc/36/72/04/1300367204.db2.gz GFBSECPHUIUIIP-CQSZACIVSA-N 1 0 339.823 2.592 10 5 EFBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000854513569 1300604076 /nfs/dbraw/zinc/60/40/76/1300604076.db2.gz OZXSPTJWXYZOGD-RHSMWYFYSA-N 1 0 340.383 2.679 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824656 1301590143 /nfs/dbraw/zinc/59/01/43/1301590143.db2.gz CMQYCJSIUYHJNB-AMDHYVTDSA-N 1 0 341.795 2.588 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859884189 1301618542 /nfs/dbraw/zinc/61/85/42/1301618542.db2.gz HSZQXZDEUUUHLM-BHVCSQLQSA-N 1 0 328.821 2.734 10 5 EFBERO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000861338781 1302074046 /nfs/dbraw/zinc/07/40/46/1302074046.db2.gz FDIGIGSDAATGMC-ABAIWWIYSA-N 1 0 342.779 2.514 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000861338784 1302074898 /nfs/dbraw/zinc/07/48/98/1302074898.db2.gz FDIGIGSDAATGMC-XHDPSFHLSA-N 1 0 342.779 2.514 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000861338783 1302075542 /nfs/dbraw/zinc/07/55/42/1302075542.db2.gz FDIGIGSDAATGMC-NHYWBVRUSA-N 1 0 342.779 2.514 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347201 1302094126 /nfs/dbraw/zinc/09/41/26/1302094126.db2.gz HHOORPMJJAUPSM-HAMASDEPSA-N 1 0 348.399 2.651 10 5 EFBERO COc1ccc(C(=O)OCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC000861355454 1302102548 /nfs/dbraw/zinc/10/25/48/1302102548.db2.gz PSDOMPXMCASDEJ-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO COc1ccc(CC(=O)OCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC000861358751 1302104003 /nfs/dbraw/zinc/10/40/03/1302104003.db2.gz KHAYSGVZCCRGIE-UHFFFAOYSA-N 1 0 348.399 2.565 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862020999 1302266431 /nfs/dbraw/zinc/26/64/31/1302266431.db2.gz ZKZISPGUEYAUDP-CQSZACIVSA-N 1 0 327.384 2.914 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862793582 1302461349 /nfs/dbraw/zinc/46/13/49/1302461349.db2.gz QCLJDNHUPZYXCT-QKXCFHHRSA-N 1 0 331.416 2.846 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000748281805 1313849450 /nfs/dbraw/zinc/84/94/50/1313849450.db2.gz HXEXPYFXVNTGCT-AWEZNQCLSA-N 1 0 329.397 2.592 10 5 EFBERO Cc1cccc2c1C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CO2 ZINC000863568481 1302653096 /nfs/dbraw/zinc/65/30/96/1302653096.db2.gz MWTBBYNPRRPYAZ-PBHICJAKSA-N 1 0 328.368 2.530 10 5 EFBERO Cc1cccc2c1C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000863569280 1302653773 /nfs/dbraw/zinc/65/37/73/1302653773.db2.gz SZNWRRHJMVRQNI-YOEHRIQHSA-N 1 0 328.368 2.530 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865526430 1303295527 /nfs/dbraw/zinc/29/55/27/1303295527.db2.gz REJLFNWDGFKWOV-VXGBXAGGSA-N 1 0 325.384 2.901 10 5 EFBERO C[NH+]1CCC2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC000866055204 1303505203 /nfs/dbraw/zinc/50/52/03/1303505203.db2.gz RQSPBJNPCPLZLV-UHFFFAOYSA-N 1 0 341.415 2.850 10 5 EFBERO COC(=O)Cc1ccc(NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866147356 1303542163 /nfs/dbraw/zinc/54/21/63/1303542163.db2.gz OBDRWLLUIRGROC-UHFFFAOYSA-N 1 0 349.431 2.985 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000866207076 1303563330 /nfs/dbraw/zinc/56/33/30/1303563330.db2.gz UZKRXVWGBGYNRP-GXFFZTMASA-N 1 0 340.221 2.888 10 5 EFBERO COc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866207282 1303563187 /nfs/dbraw/zinc/56/31/87/1303563187.db2.gz CDOQLQRHXFUMCU-PWSUYJOCSA-N 1 0 325.796 2.787 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866209637 1303564585 /nfs/dbraw/zinc/56/45/85/1303564585.db2.gz SSBYXARNHALLSY-CMPLNLGQSA-N 1 0 340.221 2.888 10 5 EFBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000866233176 1303573671 /nfs/dbraw/zinc/57/36/71/1303573671.db2.gz SCPBJBPJJBXGKZ-GFCCVEGCSA-N 1 0 332.379 2.916 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000866444311 1303643733 /nfs/dbraw/zinc/64/37/33/1303643733.db2.gz FHVSZYINJJHTSD-HDVFIIHRSA-N 1 0 328.412 2.929 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000867990452 1304064022 /nfs/dbraw/zinc/06/40/22/1304064022.db2.gz CIMOILNEJLCUOE-QGZVFWFLSA-N 1 0 341.367 2.799 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000868123652 1304139048 /nfs/dbraw/zinc/13/90/48/1304139048.db2.gz HMYMFNGFNMQOCN-UHFFFAOYSA-N 1 0 348.447 2.965 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868763207 1304460857 /nfs/dbraw/zinc/46/08/57/1304460857.db2.gz FGLJRHRUNRWKJM-CQSZACIVSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccncc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796507929 1304636724 /nfs/dbraw/zinc/63/67/24/1304636724.db2.gz GGKZXEGBQOOYNA-UHFFFAOYSA-N 1 0 346.362 2.898 10 5 EFBERO Cc1sc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000870508569 1305368926 /nfs/dbraw/zinc/36/89/26/1305368926.db2.gz LNPYSNYAICRIIZ-UHFFFAOYSA-N 1 0 337.445 2.913 10 5 EFBERO C[C@@](N)(C(=O)N1CCC[C@@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870956749 1305708405 /nfs/dbraw/zinc/70/84/05/1305708405.db2.gz GYDUSDBMCACDFS-KDOFPFPSSA-N 1 0 331.416 2.807 10 5 EFBERO CCc1ccc(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870992401 1305733944 /nfs/dbraw/zinc/73/39/44/1305733944.db2.gz QMFVFHASYDNSHN-SFHVURJKSA-N 1 0 333.432 2.994 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC1(C)C ZINC000871154303 1305845783 /nfs/dbraw/zinc/84/57/83/1305845783.db2.gz FFTCKUASQYXFKN-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO COc1cccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000871359935 1306019366 /nfs/dbraw/zinc/01/93/66/1306019366.db2.gz AUBOBIYRHQDMKU-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900662866 1308491743 /nfs/dbraw/zinc/49/17/43/1308491743.db2.gz AWKILRVBVZXTKW-LLVKDONJSA-N 1 0 341.770 2.696 10 5 EFBERO Cc1occc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001276998243 1311436592 /nfs/dbraw/zinc/43/65/92/1311436592.db2.gz ZUKJUULKEAJOGP-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001226216876 1311632097 /nfs/dbraw/zinc/63/20/97/1311632097.db2.gz MAIDJCQWOLEYEI-MRXNPFEDSA-N 1 0 348.447 2.775 10 5 EFBERO CC[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+]1CCCC1 ZINC001162131931 1312052782 /nfs/dbraw/zinc/05/27/82/1312052782.db2.gz BSONQWYCCJPKHT-CQSZACIVSA-N 1 0 346.431 2.773 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000902806851 1312123576 /nfs/dbraw/zinc/12/35/76/1312123576.db2.gz PKHOVBSIORJASN-HOTGVXAUSA-N 1 0 336.367 2.539 10 5 EFBERO CC[C@H](c1ccccc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001162626625 1312138896 /nfs/dbraw/zinc/13/88/96/1312138896.db2.gz ZZYARIZLNRPKKI-OAHLLOKOSA-N 1 0 329.404 2.602 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903179549 1312434901 /nfs/dbraw/zinc/43/49/01/1312434901.db2.gz QEMNJJPWHCRWCH-IYYTYJHQSA-N 1 0 333.310 2.938 10 5 EFBERO CN1C[C@H](CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903211557 1312466504 /nfs/dbraw/zinc/46/65/04/1312466504.db2.gz TVAJDYMIWOQZFN-CXAGYDPISA-N 1 0 331.416 2.820 10 5 EFBERO CN1C[C@H](CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903211561 1312466527 /nfs/dbraw/zinc/46/65/27/1312466527.db2.gz TVAJDYMIWOQZFN-DYVFJYSZSA-N 1 0 331.416 2.820 10 5 EFBERO CN1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000903215753 1312470671 /nfs/dbraw/zinc/47/06/71/1312470671.db2.gz OHVHILCGDVGMCX-INMHGKMJSA-N 1 0 345.443 2.764 10 5 EFBERO CN1C[C@H](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000903215754 1312470833 /nfs/dbraw/zinc/47/08/33/1312470833.db2.gz OHVHILCGDVGMCX-VYDXJSESSA-N 1 0 345.443 2.764 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001164351102 1312497752 /nfs/dbraw/zinc/49/77/52/1312497752.db2.gz NFVPFRPYYRUFJX-JTQLQIEISA-N 1 0 341.209 2.506 10 5 EFBERO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903344738 1312585419 /nfs/dbraw/zinc/58/54/19/1312585419.db2.gz AXXFSFUXHLWBCB-LBPRGKRZSA-N 1 0 338.379 2.706 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001263630504 1316552571 /nfs/dbraw/zinc/55/25/71/1316552571.db2.gz OBLWBMUENYOALY-XHVZSJERSA-N 1 0 338.795 2.710 10 5 EFBERO CC/C=C(\C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264416391 1316614427 /nfs/dbraw/zinc/61/44/27/1316614427.db2.gz XAXFDMPNUKSMIH-NXXUQLLISA-N 1 0 331.416 2.936 10 5 EFBERO C[N@H+](CCCNC(=O)C1(F)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265004772 1316686761 /nfs/dbraw/zinc/68/67/61/1316686761.db2.gz WVZUOQZAYACAHL-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001265529390 1316821598 /nfs/dbraw/zinc/82/15/98/1316821598.db2.gz APYFESBUQCFZNI-HQJNUACDSA-N 1 0 329.400 2.688 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001318881515 1328730846 /nfs/dbraw/zinc/73/08/46/1328730846.db2.gz AAYUBCYBVNGYPY-UUVAVEHKSA-N 1 0 334.416 2.975 10 5 EFBERO O=C(C=C1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316613336 1318548497 /nfs/dbraw/zinc/54/84/97/1318548497.db2.gz AMCKOIOAHQIVDR-XBXGTLAGSA-N 1 0 335.429 2.751 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CCF)CC1 ZINC001316619082 1318836713 /nfs/dbraw/zinc/83/67/13/1318836713.db2.gz YTDNKDGHAIAFGE-OTVXOJSOSA-N 1 0 349.406 2.719 10 5 EFBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1)C1CC1 ZINC001282593542 1319017244 /nfs/dbraw/zinc/01/72/44/1319017244.db2.gz JUFOGPCXWVXGDA-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO COC(=O)c1cc(N2CC[NH+](C(C)(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC001319689065 1328951464 /nfs/dbraw/zinc/95/14/64/1328951464.db2.gz AIMQWJOITIPPAG-UHFFFAOYSA-N 1 0 335.404 2.610 10 5 EFBERO CC1([NH+]2CCCC2)CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001307211482 1322938558 /nfs/dbraw/zinc/93/85/58/1322938558.db2.gz GCCOZHZZENKSPS-UHFFFAOYSA-N 1 0 346.431 2.903 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001298813162 1323614454 /nfs/dbraw/zinc/61/44/54/1323614454.db2.gz FPOUMCVFJQBVPZ-INIZCTEOSA-N 1 0 349.337 2.906 10 5 EFBERO C[N@H+](CCNC(=O)c1ccncc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001492432388 1324508879 /nfs/dbraw/zinc/50/88/79/1324508879.db2.gz HXEZEDTWSQQKLB-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840679 1324724564 /nfs/dbraw/zinc/72/45/64/1324724564.db2.gz TZZSTUQBXAYTHV-IAQYHMDHSA-N 1 0 346.387 2.750 10 5 EFBERO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1CCC[C@H](C)C1 ZINC001306931471 1324733175 /nfs/dbraw/zinc/73/31/75/1324733175.db2.gz XKRVRJYBBGXUMN-UWVGGRQHSA-N 1 0 349.357 2.879 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)cc1C ZINC001307097482 1324741197 /nfs/dbraw/zinc/74/11/97/1324741197.db2.gz YWSQZHZOAQOUIH-UHFFFAOYSA-N 1 0 335.404 2.976 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001307166036 1324747158 /nfs/dbraw/zinc/74/71/58/1324747158.db2.gz YKZOIIQKLBDLDJ-CVEARBPZSA-N 1 0 347.415 2.975 10 5 EFBERO Cc1cc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC001307230088 1324752846 /nfs/dbraw/zinc/75/28/46/1324752846.db2.gz KMTJAZBYUKQVAF-UHFFFAOYSA-N 1 0 339.461 2.782 10 5 EFBERO CC[C@H](c1ccccc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001307497091 1324770350 /nfs/dbraw/zinc/77/03/50/1324770350.db2.gz CUVCPBCDFHIXPU-QGZVFWFLSA-N 1 0 343.431 2.560 10 5 EFBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001307709924 1324778040 /nfs/dbraw/zinc/77/80/40/1324778040.db2.gz IJLPZAYPIWADGV-SJKOYZFVSA-N 1 0 346.387 2.628 10 5 EFBERO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC001307726261 1324778523 /nfs/dbraw/zinc/77/85/23/1324778523.db2.gz VJZPXNPJNGGHMZ-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO CO[C@@]1(C)C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001307780951 1324779372 /nfs/dbraw/zinc/77/93/72/1324779372.db2.gz YIIWIZVXOCOERB-GUYCJALGSA-N 1 0 346.387 2.938 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308098897 1324792877 /nfs/dbraw/zinc/79/28/77/1324792877.db2.gz AMOLBCGIVAAUPC-AWEZNQCLSA-N 1 0 331.420 2.633 10 5 EFBERO C[C@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001308118439 1324794159 /nfs/dbraw/zinc/79/41/59/1324794159.db2.gz GENHEMMYUJQZKQ-IPXJXJKCSA-N 1 0 346.427 2.703 10 5 EFBERO O=C(CC[NH2+][C@H]1CCOCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001308165747 1324797233 /nfs/dbraw/zinc/79/72/33/1324797233.db2.gz CSOMZLKLKBLPTJ-INIZCTEOSA-N 1 0 347.415 2.862 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317475332 1324847026 /nfs/dbraw/zinc/84/70/26/1324847026.db2.gz NWWLAAYTSUWJQW-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO C[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001316843942 1325208244 /nfs/dbraw/zinc/20/82/44/1325208244.db2.gz ZKBPDKVMIIBYSN-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO CC(C)(C)/C=C\C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320996216 1329328746 /nfs/dbraw/zinc/32/87/46/1329328746.db2.gz CAFZCRFALPVNEO-ACHWKMRWSA-N 1 0 331.416 2.959 10 5 EFBERO CCC(C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317214453 1327757827 /nfs/dbraw/zinc/75/78/27/1327757827.db2.gz ULHLDDPYAFTNPJ-FVQHAEBGSA-N 1 0 345.443 2.968 10 5 EFBERO CCCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001317622277 1328204400 /nfs/dbraw/zinc/20/44/00/1328204400.db2.gz DHPCYNGNJLABDF-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(F)CCCCC1 ZINC001317649304 1328235080 /nfs/dbraw/zinc/23/50/80/1328235080.db2.gz DYLYUAVDUFPXSU-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO Cc1nsc(C)c1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317667947 1328260900 /nfs/dbraw/zinc/26/09/00/1328260900.db2.gz VVEIVPVZFFCXHI-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO CC(C)(C)/C=C\C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001323406245 1329541370 /nfs/dbraw/zinc/54/13/70/1329541370.db2.gz OFQZATYSHSNIMV-HJWRWDBZSA-N 1 0 331.416 2.936 10 5 EFBERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324693277 1329651888 /nfs/dbraw/zinc/65/18/88/1329651888.db2.gz PANDIMQIWKOAGJ-ZDUSSCGKSA-N 1 0 349.774 2.876 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1ccco1 ZINC001326772637 1330362545 /nfs/dbraw/zinc/36/25/45/1330362545.db2.gz BRRPHHRWDWHPFB-UHFFFAOYSA-N 1 0 335.385 2.692 10 5 EFBERO CC1(CC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001326857403 1330374317 /nfs/dbraw/zinc/37/43/17/1330374317.db2.gz ZMLMVJMMGSTTOD-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001331553573 1330852285 /nfs/dbraw/zinc/85/22/85/1330852285.db2.gz FQYPYVPNQSJBNO-LBPRGKRZSA-N 1 0 343.387 2.749 10 5 EFBERO CC(C)=CC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333282736 1331104699 /nfs/dbraw/zinc/10/46/99/1331104699.db2.gz CLBYBGPWEADEEW-UHFFFAOYSA-N 1 0 329.400 2.809 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC001338203147 1331671705 /nfs/dbraw/zinc/67/17/05/1331671705.db2.gz SRHYAHQSZUZOGY-ZSMUJPCHSA-N 1 0 348.399 2.652 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001339664940 1331925783 /nfs/dbraw/zinc/92/57/83/1331925783.db2.gz XKENOIPVQHFQTO-OAHLLOKOSA-N 1 0 331.416 2.958 10 5 EFBERO CC(C)(COC(=O)CCc1cc(F)ccc1[N+](=O)[O-])n1ccnc1 ZINC001346610293 1332661458 /nfs/dbraw/zinc/66/14/58/1332661458.db2.gz XUVSZJADQCIHOY-UHFFFAOYSA-N 1 0 335.335 2.842 10 5 EFBERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C1CCCC1 ZINC001347388329 1332740107 /nfs/dbraw/zinc/74/01/07/1332740107.db2.gz NEZXKKGAILAXBM-LBPRGKRZSA-N 1 0 335.379 2.823 10 5 EFBERO C[C@@H](CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347446342 1332745964 /nfs/dbraw/zinc/74/59/64/1332745964.db2.gz ULLNKTHXCUVYLP-QXSJWSMHSA-N 1 0 345.443 2.935 10 5 EFBERO CC1(C)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347530071 1332753051 /nfs/dbraw/zinc/75/30/51/1332753051.db2.gz VSLIRHPBAPFUKQ-UHFFFAOYSA-N 1 0 348.447 2.699 10 5 EFBERO CC1(C)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347590285 1332759073 /nfs/dbraw/zinc/75/90/73/1332759073.db2.gz OFZRQSPRGMSGLL-UHFFFAOYSA-N 1 0 333.432 2.907 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001347662758 1332764496 /nfs/dbraw/zinc/76/44/96/1332764496.db2.gz ZAZHDXSQBGFGIH-ZDUSSCGKSA-N 1 0 344.415 2.993 10 5 EFBERO CC1(C)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC001348211744 1332812287 /nfs/dbraw/zinc/81/22/87/1332812287.db2.gz CIOVTROUYREXRA-JXMROGBWSA-N 1 0 331.416 2.987 10 5 EFBERO Cc1c(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001349371815 1332944454 /nfs/dbraw/zinc/94/44/54/1332944454.db2.gz FZURJRFPDCBJHT-ZDUSSCGKSA-N 1 0 331.416 2.992 10 5 EFBERO COc1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001349922679 1333014114 /nfs/dbraw/zinc/01/41/14/1333014114.db2.gz VAQKKKNHLNODFJ-UHFFFAOYSA-N 1 0 336.392 2.551 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001349960588 1333018955 /nfs/dbraw/zinc/01/89/55/1333018955.db2.gz SWEXQLNIGDSUIY-JHJVBQTASA-N 1 0 332.404 2.695 10 5 EFBERO C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001350800922 1333135150 /nfs/dbraw/zinc/13/51/50/1333135150.db2.gz DINXOBOKGAYNKH-OUAUKWLOSA-N 1 0 341.358 2.751 10 5 EFBERO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001350800919 1333135192 /nfs/dbraw/zinc/13/51/92/1333135192.db2.gz DINXOBOKGAYNKH-AXFHLTTASA-N 1 0 341.358 2.751 10 5 EFBERO COc1c(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001351015926 1333168185 /nfs/dbraw/zinc/16/81/85/1333168185.db2.gz QLOREVXCFHBAIM-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000847141446 1333350707 /nfs/dbraw/zinc/35/07/07/1333350707.db2.gz IMQIOTSIJPWPNM-JGZJWPJOSA-N 1 0 326.784 2.710 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001354441748 1334304402 /nfs/dbraw/zinc/30/44/02/1334304402.db2.gz HBPINZAAOVZYGS-SNVBAGLBSA-N 1 0 349.478 2.592 10 5 EFBERO CC(C)[C@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475705 1334735215 /nfs/dbraw/zinc/73/52/15/1334735215.db2.gz STEKXDMPUPUAQV-DLBZAZTESA-N 1 0 331.416 2.989 10 5 EFBERO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C(C1CC1)C1CC1 ZINC000848477247 1334736104 /nfs/dbraw/zinc/73/61/04/1334736104.db2.gz NRJBGYTUTVZTBP-QGZVFWFLSA-N 1 0 343.427 2.989 10 5 EFBERO CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000848478246 1334736324 /nfs/dbraw/zinc/73/63/24/1334736324.db2.gz IVGQYTXODPAQOY-MRXNPFEDSA-N 1 0 341.415 2.584 10 5 EFBERO C[C@@H]([N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1(C)CC1 ZINC000848481402 1334737781 /nfs/dbraw/zinc/73/77/81/1334737781.db2.gz CENYPWFEBDJLSY-CJNGLKHVSA-N 1 0 331.416 2.989 10 5 EFBERO CC(C)OCCC[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481288 1334738323 /nfs/dbraw/zinc/73/83/23/1334738323.db2.gz XOLYDBOHVROGJL-KRWDZBQOSA-N 1 0 349.431 2.615 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000848483026 1334739280 /nfs/dbraw/zinc/73/92/80/1334739280.db2.gz XNUREJIBKSVXLD-NVXWUHKLSA-N 1 0 329.400 2.600 10 5 EFBERO CN(CCOC(C)(C)C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481598 1334739371 /nfs/dbraw/zinc/73/93/71/1334739371.db2.gz DFTXOXCOCXSOKP-INIZCTEOSA-N 1 0 349.431 2.615 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000848483030 1334739395 /nfs/dbraw/zinc/73/93/95/1334739395.db2.gz XNUREJIBKSVXLD-WBVHZDCISA-N 1 0 329.400 2.600 10 5 EFBERO CC[C@@]1(C)CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848482998 1334739407 /nfs/dbraw/zinc/73/94/07/1334739407.db2.gz XARIXBHHIQRXFX-WMZOPIPTSA-N 1 0 331.416 2.990 10 5 EFBERO CSC[C@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482661 1334740455 /nfs/dbraw/zinc/74/04/55/1334740455.db2.gz SRMMWVJXTIWZLD-HZPDHXFCSA-N 1 0 349.456 2.696 10 5 EFBERO CC[C@@H]1[C@H](C)CC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483892 1334740715 /nfs/dbraw/zinc/74/07/15/1334740715.db2.gz AWRBDYOZZYYZMW-KBRIMQKVSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848484810 1334741922 /nfs/dbraw/zinc/74/19/22/1334741922.db2.gz FEPFPWYOEGTKDP-CJNGLKHVSA-N 1 0 349.456 2.696 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000848489173 1334745883 /nfs/dbraw/zinc/74/58/83/1334745883.db2.gz QRLUPJNFBMQGMC-WMZOPIPTSA-N 1 0 343.427 2.990 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001355868665 1334892414 /nfs/dbraw/zinc/89/24/14/1334892414.db2.gz RLDHQBLHXOLDLG-IUODEOHRSA-N 1 0 335.379 2.599 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001361147211 1335955835 /nfs/dbraw/zinc/95/58/35/1335955835.db2.gz XUSQREQVHOYEQD-KRWDZBQOSA-N 1 0 333.432 2.907 10 5 EFBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001361280116 1335958948 /nfs/dbraw/zinc/95/89/48/1335958948.db2.gz WDLXTGHOMISALK-DLBZAZTESA-N 1 0 349.350 2.918 10 5 EFBERO CC[N@H+](CCNC(=O)c1coc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001492942544 1366311411 /nfs/dbraw/zinc/31/14/11/1366311411.db2.gz WDMPWPKOXAWDPZ-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001457408271 1395100070 /nfs/dbraw/zinc/10/00/70/1395100070.db2.gz CKFUZPZLIBYBKR-TZMCWYRMSA-N 1 0 337.445 2.628 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)cc1C ZINC001458103706 1395407473 /nfs/dbraw/zinc/40/74/73/1395407473.db2.gz FOLFVCIZGBGUAH-UHFFFAOYSA-N 1 0 335.404 2.978 10 5 EFBERO CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)[NH+]1CCCC1 ZINC001458102610 1395407716 /nfs/dbraw/zinc/40/77/16/1395407716.db2.gz ZNUHFIRYDOQJLT-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N(CC)CCC[NH+](C)C)cc1C ZINC001458323241 1395445582 /nfs/dbraw/zinc/44/55/82/1395445582.db2.gz PPYAHMOLRXGVBL-UHFFFAOYSA-N 1 0 337.420 2.858 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC001458401504 1395459974 /nfs/dbraw/zinc/45/99/74/1395459974.db2.gz MPMJVQDOSLHCHA-CZUORRHYSA-N 1 0 342.374 2.936 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001458401497 1395459978 /nfs/dbraw/zinc/45/99/78/1395459978.db2.gz MPMJVQDOSLHCHA-BBRMVZONSA-N 1 0 342.374 2.936 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC001458401507 1395460206 /nfs/dbraw/zinc/46/02/06/1395460206.db2.gz MPMJVQDOSLHCHA-XJKSGUPXSA-N 1 0 342.374 2.936 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC001458412885 1395462884 /nfs/dbraw/zinc/46/28/84/1395462884.db2.gz DPKMNRIJEIEPGB-LBPRGKRZSA-N 1 0 338.408 2.699 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001458457846 1395473487 /nfs/dbraw/zinc/47/34/87/1395473487.db2.gz XUJZGENYEFOQSG-JDFMTEHDSA-N 1 0 347.415 2.922 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001458835422 1395614356 /nfs/dbraw/zinc/61/43/56/1395614356.db2.gz HLFOYFDAGACMNS-UONOGXRCSA-N 1 0 346.431 2.681 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460343457 1396028490 /nfs/dbraw/zinc/02/84/90/1396028490.db2.gz YWXFZJIQCHQBOR-DGCLKSJQSA-N 1 0 334.376 2.532 10 5 EFBERO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccn2ccnc2c1 ZINC001460688802 1396242424 /nfs/dbraw/zinc/24/24/24/1396242424.db2.gz NBHKHNADPQIESI-UHFFFAOYSA-N 1 0 328.353 2.973 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001464557434 1396586077 /nfs/dbraw/zinc/58/60/77/1396586077.db2.gz UGOMRSUEGJVLLH-HNNXBMFYSA-N 1 0 346.387 2.704 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001464974115 1396635894 /nfs/dbraw/zinc/63/58/94/1396635894.db2.gz PVMQHONLNYWZMF-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001465664455 1396701081 /nfs/dbraw/zinc/70/10/81/1396701081.db2.gz PNHKAGLLNMBEOX-AWEZNQCLSA-N 1 0 349.406 2.846 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001466716541 1396776726 /nfs/dbraw/zinc/77/67/26/1396776726.db2.gz KGZMIBAKHJXLLI-HNNXBMFYSA-N 1 0 333.432 2.861 10 5 EFBERO CCN(CCC[NH+](C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466927218 1396797234 /nfs/dbraw/zinc/79/72/34/1396797234.db2.gz BACIOAMRHRQXSC-UHFFFAOYSA-N 1 0 327.812 2.591 10 5 EFBERO Cc1c(CC(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001468224580 1396935123 /nfs/dbraw/zinc/93/51/23/1396935123.db2.gz AVSYTJYZTQIICO-UHFFFAOYSA-N 1 0 345.443 2.923 10 5 EFBERO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001473325004 1397295238 /nfs/dbraw/zinc/29/52/38/1397295238.db2.gz NDUPBDWLYLPROQ-LLVKDONJSA-N 1 0 332.360 2.550 10 5 EFBERO C[N@@H+]1CCCC12CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC001546197505 1397311257 /nfs/dbraw/zinc/31/12/57/1397311257.db2.gz JXROCJRAJOGYTE-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC001473735309 1397326282 /nfs/dbraw/zinc/32/62/82/1397326282.db2.gz YPDUKAOKWXTNCA-UHFFFAOYSA-N 1 0 341.411 2.927 10 5 EFBERO C[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC001473769714 1397329670 /nfs/dbraw/zinc/32/96/70/1397329670.db2.gz YWVSCNAONGHMNX-LLVKDONJSA-N 1 0 327.340 2.891 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001473898874 1397348190 /nfs/dbraw/zinc/34/81/90/1397348190.db2.gz FWAHDCZCEVHMDD-QGZVFWFLSA-N 1 0 334.372 2.521 10 5 EFBERO C[N@H+](CCCNC(=O)CC(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001479794616 1397873321 /nfs/dbraw/zinc/87/33/21/1397873321.db2.gz QIZKEVPGQMUFFG-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1(F)CCCC1 ZINC001493384110 1398659609 /nfs/dbraw/zinc/65/96/09/1398659609.db2.gz DDBNZCLUHWPEOV-UHFFFAOYSA-N 1 0 349.406 2.958 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C(F)F)CCC1 ZINC001493669048 1398797321 /nfs/dbraw/zinc/79/73/21/1398797321.db2.gz FXFJIFYSSKAPRV-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO Cc1ccoc1CC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496780313 1400978929 /nfs/dbraw/zinc/97/89/29/1400978929.db2.gz BTLKIBMOXFZOOF-UHFFFAOYSA-N 1 0 345.399 2.629 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C(\C)C1CC1 ZINC001497359770 1401325697 /nfs/dbraw/zinc/32/56/97/1401325697.db2.gz TUWDGKHKRFHMCE-XYOKQWHBSA-N 1 0 337.445 2.951 10 5 EFBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)F ZINC001497673054 1401540224 /nfs/dbraw/zinc/54/02/24/1401540224.db2.gz LDEHGPTUPREQGC-WAYWQWQTSA-N 1 0 341.358 2.648 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccco1 ZINC001498507057 1402151805 /nfs/dbraw/zinc/15/18/05/1402151805.db2.gz CEMWIXVNGRTXAK-KTKRTIGZSA-N 1 0 343.383 2.839 10 5 EFBERO CC/C=C(\C)C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001498522469 1402158907 /nfs/dbraw/zinc/15/89/07/1402158907.db2.gz AIUNCJGIHJYDRX-WUXMJOGZSA-N 1 0 325.434 2.951 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(F)(F)F ZINC001498529944 1402161551 /nfs/dbraw/zinc/16/15/51/1402161551.db2.gz UDLLYQTWLWBLQE-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001556975983 1415099300 /nfs/dbraw/zinc/09/93/00/1415099300.db2.gz CXSUEXMYKZHJRX-UHFFFAOYSA-N 1 0 346.362 2.938 10 5 EFBERO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c(N)c([N+](=O)[O-])c1 ZINC001557008764 1415101340 /nfs/dbraw/zinc/10/13/40/1415101340.db2.gz PKEIPIGBBKRDTA-UHFFFAOYSA-N 1 0 346.362 2.938 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC001565870056 1415112409 /nfs/dbraw/zinc/11/24/09/1415112409.db2.gz IDEVQSRVXODCQZ-AULYBMBSSA-N 1 0 337.445 2.831 10 5 EFBERO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001557510310 1415129208 /nfs/dbraw/zinc/12/92/08/1415129208.db2.gz RYOQHHWYDVXCSG-CYBMUJFWSA-N 1 0 339.823 2.639 10 5 EFBERO Cc1cc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001557864725 1415148868 /nfs/dbraw/zinc/14/88/68/1415148868.db2.gz HKQITFYWPGUIHH-QGZVFWFLSA-N 1 0 339.395 2.560 10 5 EFBERO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001558502889 1415183848 /nfs/dbraw/zinc/18/38/48/1415183848.db2.gz FBJLUFWYAIMIAH-CYBMUJFWSA-N 1 0 325.796 2.627 10 5 EFBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 ZINC001558503434 1415183880 /nfs/dbraw/zinc/18/38/80/1415183880.db2.gz JZOHASOFAXQJHQ-GOSISDBHSA-N 1 0 349.434 2.751 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001558769098 1415200229 /nfs/dbraw/zinc/20/02/29/1415200229.db2.gz OZSQGPAIACHERK-RHSMWYFYSA-N 1 0 346.431 2.512 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CC)cc1C ZINC001559049453 1415221539 /nfs/dbraw/zinc/22/15/39/1415221539.db2.gz DEWLDUYBFIOPGQ-CYBMUJFWSA-N 1 0 335.404 2.976 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC001559204691 1415229436 /nfs/dbraw/zinc/22/94/36/1415229436.db2.gz QMAMWQKLOYJCKL-LBPRGKRZSA-N 1 0 338.408 2.699 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc2c[nH+]cn2c1 ZINC001559208065 1415230237 /nfs/dbraw/zinc/23/02/37/1415230237.db2.gz SQKCQNCLCZSLRT-UHFFFAOYSA-N 1 0 340.339 2.950 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001559234821 1415232517 /nfs/dbraw/zinc/23/25/17/1415232517.db2.gz QJYQHCVJIIITJT-LBPRGKRZSA-N 1 0 335.404 2.975 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001559296172 1415238166 /nfs/dbraw/zinc/23/81/66/1415238166.db2.gz FDHYDHIDHIHZME-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO CC[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001559656259 1415252852 /nfs/dbraw/zinc/25/28/52/1415252852.db2.gz MCGZGDPOZVVMBS-LLVKDONJSA-N 1 0 342.237 2.883 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC001565956287 1415267769 /nfs/dbraw/zinc/26/77/69/1415267769.db2.gz SAOIUHJMDBPHHN-STQMWFEESA-N 1 0 337.395 2.987 10 5 EFBERO COc1ccc(CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001560238077 1415269933 /nfs/dbraw/zinc/26/99/33/1415269933.db2.gz IMKZMRPRVXWRMK-KDURUIRLSA-N 1 0 345.443 2.911 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1c(C)nn(C)c1C ZINC001560618340 1415292457 /nfs/dbraw/zinc/29/24/57/1415292457.db2.gz QEECWTDBNIBHFS-UEOUDEGLSA-N 1 0 344.415 2.672 10 5 EFBERO CC(C)C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC001565605958 1415406764 /nfs/dbraw/zinc/40/67/64/1415406764.db2.gz MCDRWJRYSCULTQ-NSHDSACASA-N 1 0 327.812 2.954 10 5 EFBERO CC/C(C)=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001565864091 1415438248 /nfs/dbraw/zinc/43/82/48/1415438248.db2.gz HEVJZRGBVQSQIJ-KQBPZZRCSA-N 1 0 331.416 2.936 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001566383999 1415544297 /nfs/dbraw/zinc/54/42/97/1415544297.db2.gz FMBAEGMHLFUPHJ-ZYHUDNBSSA-N 1 0 337.807 2.532 10 5 EFBERO C[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566483661 1415576125 /nfs/dbraw/zinc/57/61/25/1415576125.db2.gz JBACQPIUOPQFDD-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567325173 1416072833 /nfs/dbraw/zinc/07/28/33/1416072833.db2.gz QISRQMUBZXHWNI-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C\c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567325314 1416072919 /nfs/dbraw/zinc/07/29/19/1416072919.db2.gz WCIONYUJOCOWEK-KTKRTIGZSA-N 1 0 343.383 2.839 10 5 EFBERO CC[N@H+](CCNC(=O)C(C)(C)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001567347439 1416084227 /nfs/dbraw/zinc/08/42/27/1416084227.db2.gz CTKNXALPFAONTG-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO CCC[N@H+](CCNC(=O)C1=COCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001567422841 1416131065 /nfs/dbraw/zinc/13/10/65/1416131065.db2.gz BYPRZJWKZUYKQJ-UHFFFAOYSA-N 1 0 347.415 2.617 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc(C)on1)Cc1cccc([N+](=O)[O-])c1 ZINC001567421794 1416131423 /nfs/dbraw/zinc/13/14/23/1416131423.db2.gz DMECDMNDWOAXFW-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(F)c1 ZINC001567509252 1416167377 /nfs/dbraw/zinc/16/73/77/1416167377.db2.gz YOMBYCQZCMVKMR-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO Cc1sccc1CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001567570713 1416191988 /nfs/dbraw/zinc/19/19/88/1416191988.db2.gz FNOVCUYIKVAKLI-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO C[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001567593243 1416202111 /nfs/dbraw/zinc/20/21/11/1416202111.db2.gz WMVKGLPKSHOOEG-KOMQPUFPSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cccc(C)c1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001567641713 1416224642 /nfs/dbraw/zinc/22/46/42/1416224642.db2.gz PSUMDHIXZCSEHT-SJLPKXTDSA-N 1 0 347.459 2.685 10 5 EFBERO C[C@@H](CC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001568490246 1416542812 /nfs/dbraw/zinc/54/28/12/1416542812.db2.gz JCGBEGWKLUJBJC-JTQLQIEISA-N 1 0 347.337 2.818 10 5 EFBERO CO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001646084916 1416611146 /nfs/dbraw/zinc/61/11/46/1416611146.db2.gz ILAWHOMPRUFCEN-KGLIPLIRSA-N 1 0 344.371 2.692 10 5 EFBERO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001646288190 1416643296 /nfs/dbraw/zinc/64/32/96/1416643296.db2.gz CBJSPWMPJHDXAJ-GFCCVEGCSA-N 1 0 337.807 2.628 10 5 EFBERO O=C(CCc1ccco1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699647245 1417440762 /nfs/dbraw/zinc/44/07/62/1417440762.db2.gz XJZHBCCZTGEEJX-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO Cc1cocc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699660111 1417441848 /nfs/dbraw/zinc/44/18/48/1417441848.db2.gz NIKHNCGHMLTCNH-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2=CCCCC2)CC1 ZINC001699861716 1417483417 /nfs/dbraw/zinc/48/34/17/1417483417.db2.gz PIBGIYCXEUJRAB-IAGOWNOFSA-N 1 0 349.475 2.760 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001712953678 1418292134 /nfs/dbraw/zinc/29/21/34/1418292134.db2.gz YOVRERZSIQMECU-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC001713168475 1418349992 /nfs/dbraw/zinc/34/99/92/1418349992.db2.gz LJIINRIDUMWBAM-HAQNSBGRSA-N 1 0 341.358 2.623 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(C)(F)F ZINC001714724377 1418615439 /nfs/dbraw/zinc/61/54/39/1418615439.db2.gz QJIFKJDLXHGCDP-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001715833945 1418686391 /nfs/dbraw/zinc/68/63/91/1418686391.db2.gz LOAUNQZEHGOIAP-UPHRSURJSA-N 1 0 343.427 2.937 10 5 EFBERO Cc1ccccc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716261872 1418746178 /nfs/dbraw/zinc/74/61/78/1418746178.db2.gz BDXXDCIQDXOJME-PLNGDYQASA-N 1 0 339.395 2.979 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001717206972 1419266674 /nfs/dbraw/zinc/26/66/74/1419266674.db2.gz PSMFZOZZFHMLOA-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO CC(C)(C)/C=C/C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001723501373 1424513911 /nfs/dbraw/zinc/51/39/11/1424513911.db2.gz VPVWVJJPDKUTLJ-BQYQJAHWSA-N 1 0 331.416 2.936 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1ccoc1 ZINC001724780156 1425008229 /nfs/dbraw/zinc/00/82/29/1425008229.db2.gz DSEAMKHOGISSPV-UHFFFAOYSA-N 1 0 335.385 2.692 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC001724794701 1425017193 /nfs/dbraw/zinc/01/71/93/1425017193.db2.gz PVAPPPLLLNNFAR-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cscn1 ZINC001724847854 1425066307 /nfs/dbraw/zinc/06/63/07/1425066307.db2.gz LKTKOJOQYGOUCM-UHFFFAOYSA-N 1 0 348.428 2.645 10 5 EFBERO Cc1cc(N2CC[C@@H](CC[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000723708780 714822014 /nfs/dbraw/zinc/82/20/14/714822014.db2.gz IFOXYNDVFFXGBK-SNVBAGLBSA-N 1 0 328.210 2.841 10 5 EFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1CC[NH3+] ZINC000723882449 714996484 /nfs/dbraw/zinc/99/64/84/714996484.db2.gz HZCGBCOYPONNEA-NXEZZACHSA-N 1 0 328.210 2.778 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264632 715210547 /nfs/dbraw/zinc/21/05/47/715210547.db2.gz TVHBTKJNGMJBOH-RDTXWAMCSA-N 1 0 344.415 2.837 10 5 EFBERO CC[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449128 715519531 /nfs/dbraw/zinc/51/95/31/715519531.db2.gz FMWXASHASQZIMG-HOTGVXAUSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1cc(C[N+]23CCN(CC2)CC3)nc(-c2ccc(Cl)cc2)n1 ZINC000129898776 717150611 /nfs/dbraw/zinc/15/06/11/717150611.db2.gz FHSPAPJJWJPIMB-UHFFFAOYSA-N 1 0 329.855 2.751 10 5 EFBERO C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc3c(c1C2)OCO3)OCO4 ZINC000255211716 717171239 /nfs/dbraw/zinc/17/12/39/717171239.db2.gz GBUUKFRQPCPYPW-KKSFZXQISA-N 1 0 338.383 2.944 10 5 in-vitro EFBERO COC(=O)/C=C\c1ccc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000255650873 717341895 /nfs/dbraw/zinc/34/18/95/717341895.db2.gz LYJYPULTBLCVDZ-LRAPTIAOSA-N 1 0 333.388 2.676 10 5 EFBERO C/C(=C\C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781195 719164646 /nfs/dbraw/zinc/16/46/46/719164646.db2.gz WOPVAVJVBQBYES-YLZCUGDYSA-N 1 0 329.400 2.599 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000893016627 719460052 /nfs/dbraw/zinc/46/00/52/719460052.db2.gz ZLQOTMRJZAOUIN-UONOGXRCSA-N 1 0 349.431 2.938 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927700187 720741777 /nfs/dbraw/zinc/74/17/77/720741777.db2.gz RQBFQMYKQRUPGA-UHFFFAOYSA-N 1 0 348.790 2.948 10 5 EFBERO C[NH2+][C@@H](C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261721561 720816120 /nfs/dbraw/zinc/81/61/20/720816120.db2.gz KGTNVUGHZWUALS-QMMMGPOBSA-N 1 0 339.193 2.925 10 5 EFBERO CCC[N@@H+]1CC[C@H](CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000053583382 720854630 /nfs/dbraw/zinc/85/46/30/720854630.db2.gz YBJIUTRWFRVDBQ-KEDPEKRHSA-N 1 0 347.415 2.925 10 5 EFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000312740044 720965663 /nfs/dbraw/zinc/96/56/63/720965663.db2.gz VCPAFJIXIHKRPG-HZMBPMFUSA-N 1 0 340.221 2.923 10 5 EFBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@]1(C)C[NH3+] ZINC000311380387 721053313 /nfs/dbraw/zinc/05/33/13/721053313.db2.gz BAOQBKAQDSZXJK-NOZJJQNGSA-N 1 0 328.210 2.778 10 5 EFBERO O=C(C[NH2+][C@@H]1CCOC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000925191139 724739474 /nfs/dbraw/zinc/73/94/74/724739474.db2.gz GAQOZBRKSQVTEY-OAHLLOKOSA-N 1 0 333.388 2.615 10 5 EFBERO O=C(N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897139206 724049216 /nfs/dbraw/zinc/04/92/16/724049216.db2.gz IRPMVPKODCAQHT-SFHVURJKSA-N 1 0 329.400 2.572 10 5 EFBERO COCc1ncc2c(n1)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000895415143 724124280 /nfs/dbraw/zinc/12/42/80/724124280.db2.gz LOQPSDZDKONNCK-GQCTYLIASA-N 1 0 340.383 2.603 10 5 EFBERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000895623431 724229912 /nfs/dbraw/zinc/22/99/12/724229912.db2.gz RTJYRGKFWWRQTG-OCAPTIKFSA-N 1 0 335.223 2.933 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000895677199 724248838 /nfs/dbraw/zinc/24/88/38/724248838.db2.gz HXKCPSIHHACYBB-VIFPVBQESA-N 1 0 348.655 2.896 10 5 EFBERO Cn1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895779193 724311421 /nfs/dbraw/zinc/31/14/21/724311421.db2.gz NFKSLLMSPSIGJB-GASCZTMLSA-N 1 0 344.440 2.790 10 5 EFBERO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000895850725 724350897 /nfs/dbraw/zinc/35/08/97/724350897.db2.gz NPPWUDMNOXPWCH-ZDUSSCGKSA-N 1 0 345.355 2.785 10 5 EFBERO O=C1N(C[NH+]2C[C@H]3CCCC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154780962 728908033 /nfs/dbraw/zinc/90/80/33/728908033.db2.gz SQFOFIZFMJRZMT-HUUCEWRRSA-N 1 0 344.415 2.916 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000913760139 725851156 /nfs/dbraw/zinc/85/11/56/725851156.db2.gz HGXJLPBISZDJMM-BXKDBHETSA-N 1 0 341.770 2.554 10 5 EFBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814362 725875954 /nfs/dbraw/zinc/87/59/54/725875954.db2.gz UPNBOTNFTGBDDP-NEPJUHHUSA-N 1 0 341.770 2.696 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000915211481 726898795 /nfs/dbraw/zinc/89/87/95/726898795.db2.gz UAIHRPCERBSHSE-UFZAZABTSA-N 1 0 345.399 2.677 10 5 EFBERO COC(=O)/C=C\c1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000915211859 726899108 /nfs/dbraw/zinc/89/91/08/726899108.db2.gz IBPRMKMNVPUDCX-CLFYSBASSA-N 1 0 335.404 2.923 10 5 EFBERO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596900 727145049 /nfs/dbraw/zinc/14/50/49/727145049.db2.gz DXHJTWSEBWMDGY-SNVBAGLBSA-N 1 0 328.210 2.793 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911471972 727543291 /nfs/dbraw/zinc/54/32/91/727543291.db2.gz AJSIURZMSBWLEF-RISCZKNCSA-N 1 0 339.342 2.506 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000912030986 727637884 /nfs/dbraw/zinc/63/78/84/727637884.db2.gz KKMHQIDKXQLBPT-INIZCTEOSA-N 1 0 349.431 2.796 10 5 EFBERO Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000912598285 727728107 /nfs/dbraw/zinc/72/81/07/727728107.db2.gz FEILQJKFUYTPRC-KBPBESRZSA-N 1 0 335.379 2.645 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912603379 727729310 /nfs/dbraw/zinc/72/93/10/727729310.db2.gz ZFUSFZHUPQXDKZ-ZIAGYGMSSA-N 1 0 335.379 2.645 10 5 EFBERO CC(C)[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000912765409 727741738 /nfs/dbraw/zinc/74/17/38/727741738.db2.gz CJANUAIABACTLJ-HNNXBMFYSA-N 1 0 339.823 2.637 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)cc1Cl ZINC000912870672 727753200 /nfs/dbraw/zinc/75/32/00/727753200.db2.gz DPRBUUPMKMKCBV-UHFFFAOYSA-N 1 0 337.807 2.867 10 5 EFBERO CSc1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912874488 727753541 /nfs/dbraw/zinc/75/35/41/727753541.db2.gz AUISFQKGYFQFEQ-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912876073 727753689 /nfs/dbraw/zinc/75/36/89/727753689.db2.gz YVCRQPWXUCFGPK-UHFFFAOYSA-N 1 0 331.416 2.830 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912913123 727757851 /nfs/dbraw/zinc/75/78/51/727757851.db2.gz HEMOJOMTJULGSA-GFCCVEGCSA-N 1 0 343.305 2.534 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000917086735 727766924 /nfs/dbraw/zinc/76/69/24/727766924.db2.gz OOLDSNFKIGZOCP-IQCBXXCUSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913272623 727811752 /nfs/dbraw/zinc/81/17/52/727811752.db2.gz BVBLSHBOKYPMRA-ROUUACIJSA-N 1 0 331.416 2.625 10 5 EFBERO C/C(=C/C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913281801 727814960 /nfs/dbraw/zinc/81/49/60/727814960.db2.gz SUBSOLLFTMOHOM-FNIJVKBFSA-N 1 0 343.427 2.798 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@]2(C)C1 ZINC000913284854 727815827 /nfs/dbraw/zinc/81/58/27/727815827.db2.gz RQPLAEJQQVAXSX-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000913400715 727832637 /nfs/dbraw/zinc/83/26/37/727832637.db2.gz SNFCUOKOMTVXRX-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000913404271 727833153 /nfs/dbraw/zinc/83/31/53/727833153.db2.gz CXHOXIWHJYJUFC-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000129590726 727934776 /nfs/dbraw/zinc/93/47/76/727934776.db2.gz GQDYKZIWHPDHOO-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000129590888 727935098 /nfs/dbraw/zinc/93/50/98/727935098.db2.gz GQDYKZIWHPDHOO-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000164990225 728004225 /nfs/dbraw/zinc/00/42/25/728004225.db2.gz VQSMBFJLDXXYFO-RHSMWYFYSA-N 1 0 330.388 2.529 10 5 EFBERO [NH3+]CCC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834955 728590017 /nfs/dbraw/zinc/59/00/17/728590017.db2.gz KKFYUIGMEVSMRV-UHFFFAOYSA-N 1 0 328.210 2.923 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000232459650 728664749 /nfs/dbraw/zinc/66/47/49/728664749.db2.gz HEUAEYCVUXHYBA-SNVBAGLBSA-N 1 0 329.194 2.874 10 5 EFBERO COC(=O)/C=C/c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000175006434 729471309 /nfs/dbraw/zinc/47/13/09/729471309.db2.gz NQOVPLYJNWPJKT-HWKANZROSA-N 1 0 325.324 2.870 10 5 EFBERO CC(C)(F)C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001569567298 1085382529 /nfs/dbraw/zinc/38/25/29/1085382529.db2.gz QUCGGMMWUYVXHY-UHFFFAOYSA-N 1 0 337.395 2.814 10 5 EFBERO CCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)C(F)F)CC1 ZINC001570249924 1086086529 /nfs/dbraw/zinc/08/65/29/1086086529.db2.gz OOAQGAQFLONXBP-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO CC(C)Oc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001570620035 1086412532 /nfs/dbraw/zinc/41/25/32/1086412532.db2.gz YZWFVDKMGJOFDH-HOTGVXAUSA-N 1 0 349.431 2.841 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646593018 1087900802 /nfs/dbraw/zinc/90/08/02/1087900802.db2.gz QYSYELNTWDBURX-XHSDSOJGSA-N 1 0 331.416 2.545 10 5 EFBERO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001648139294 1089949890 /nfs/dbraw/zinc/94/98/90/1089949890.db2.gz FOCMDWHUTAIFKS-LBPRGKRZSA-N 1 0 349.778 2.508 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCOCC23CCCC3)c1 ZINC001620677429 1091119514 /nfs/dbraw/zinc/11/95/14/1091119514.db2.gz PVJSTXAEFPBDAJ-INIZCTEOSA-N 1 0 348.399 2.820 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001648523379 1092229529 /nfs/dbraw/zinc/22/95/29/1092229529.db2.gz NSEQHQVYZRAJRY-ZYSHUDEJSA-N 1 0 348.443 2.811 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC001648585363 1092235097 /nfs/dbraw/zinc/23/50/97/1092235097.db2.gz PNHRULGYQZAYLR-VQIMIIECSA-N 1 0 342.395 2.509 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650104 1092245433 /nfs/dbraw/zinc/24/54/33/1092245433.db2.gz UFMNERPAAFIJMG-CHWSQXEVSA-N 1 0 337.445 2.991 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC001649437667 1092460651 /nfs/dbraw/zinc/46/06/51/1092460651.db2.gz WDLWPDPZVVMOEY-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001585891528 1092611797 /nfs/dbraw/zinc/61/17/97/1092611797.db2.gz NBBGXKJPCUJZAD-CABCVRRESA-N 1 0 349.456 2.919 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001586631911 1092748479 /nfs/dbraw/zinc/74/84/79/1092748479.db2.gz WTGCCCYIGRHGNW-YPMHNXCESA-N 1 0 339.823 2.732 10 5 EFBERO Cc1cccc(F)c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267143178 1092896613 /nfs/dbraw/zinc/89/66/13/1092896613.db2.gz CGULTTPWPWMPJH-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO C[N@H+](CCNC(=O)C1(F)CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267225624 1093268585 /nfs/dbraw/zinc/26/85/85/1093268585.db2.gz ZTQLZUQGNSRBEH-UHFFFAOYSA-N 1 0 337.395 2.815 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C/c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001267240583 1093338155 /nfs/dbraw/zinc/33/81/55/1093338155.db2.gz QZZHBTSWQYGANC-CMDGGOBGSA-N 1 0 342.399 2.574 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001650801156 1093494980 /nfs/dbraw/zinc/49/49/80/1093494980.db2.gz IVNGOMLUJDAFHK-QWHCGFSZSA-N 1 0 335.404 2.975 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001593771325 1094411449 /nfs/dbraw/zinc/41/14/49/1094411449.db2.gz ZSMIXIXLQUYRKL-UHFFFAOYSA-N 1 0 341.411 2.971 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001598098155 1094654797 /nfs/dbraw/zinc/65/47/97/1094654797.db2.gz KGQAAGWRYRIGLR-CYBMUJFWSA-N 1 0 335.379 2.743 10 5 EFBERO Nc1c(Cl)cc(C(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001598081729 1094654886 /nfs/dbraw/zinc/65/48/86/1094654886.db2.gz WMPWHAORMRPLAT-UHFFFAOYSA-N 1 0 331.719 2.730 10 5 EFBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1(C2CC2)CC1 ZINC001481174933 1095120801 /nfs/dbraw/zinc/12/08/01/1095120801.db2.gz XZQFEYYGILFCKQ-UHFFFAOYSA-N 1 0 343.427 2.866 10 5 EFBERO CC1(CC(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001481177277 1095138742 /nfs/dbraw/zinc/13/87/42/1095138742.db2.gz RZOORBIMIOQBJX-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001481202382 1095336138 /nfs/dbraw/zinc/33/61/38/1095336138.db2.gz IZBYYJKRXMNRSS-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(C)(C)C1 ZINC001268235495 1096146060 /nfs/dbraw/zinc/14/60/60/1096146060.db2.gz KIGADALQNWUEDR-UHFFFAOYSA-N 1 0 333.432 2.921 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001606969198 1097484518 /nfs/dbraw/zinc/48/45/18/1097484518.db2.gz AHZIDNNQMUBLAN-BBRMVZONSA-N 1 0 346.431 2.512 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)n1 ZINC001606983912 1097489107 /nfs/dbraw/zinc/48/91/07/1097489107.db2.gz XVIVUNAQVAPVTO-RDJZCZTQSA-N 1 0 346.431 2.633 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 ZINC001268775065 1097623294 /nfs/dbraw/zinc/62/32/94/1097623294.db2.gz HXXHVSVYIZTUKG-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO Cc1cocc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268812145 1097660504 /nfs/dbraw/zinc/66/05/04/1097660504.db2.gz RRGJNFHXTNFSMX-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001269361952 1098087464 /nfs/dbraw/zinc/08/74/64/1098087464.db2.gz NIELHUWVBBFORJ-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC001269362296 1098089846 /nfs/dbraw/zinc/08/98/46/1098089846.db2.gz XOJKPATYECFONV-UHFFFAOYSA-N 1 0 325.368 2.647 10 5 EFBERO CC(C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)=C1CCC1 ZINC001269411874 1098120748 /nfs/dbraw/zinc/12/07/48/1098120748.db2.gz WOQGOLUVABNDHH-UHFFFAOYSA-N 1 0 335.429 2.895 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C12CCC(CC1)C2 ZINC001269436962 1098137011 /nfs/dbraw/zinc/13/70/11/1098137011.db2.gz IBLDQFHHFFRRGX-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccc[nH]1 ZINC001269524968 1098215317 /nfs/dbraw/zinc/21/53/17/1098215317.db2.gz NXTGYRICMGKJKX-UHFFFAOYSA-N 1 0 348.428 2.817 10 5 EFBERO CN(CC[NH+]1CCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001611937009 1099038407 /nfs/dbraw/zinc/03/84/07/1099038407.db2.gz VPQXHOQUTDRLKE-UHFFFAOYSA-N 1 0 345.359 2.583 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC001612444053 1099058742 /nfs/dbraw/zinc/05/87/42/1099058742.db2.gz QMAMWQKLOYJCKL-GFCCVEGCSA-N 1 0 338.408 2.699 10 5 EFBERO C[C@]12CN(c3ccncc3[N+](=O)[O-])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001612868053 1099082741 /nfs/dbraw/zinc/08/27/41/1099082741.db2.gz NCHFNYHQWRAODA-APWZRJJASA-N 1 0 338.411 2.948 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001617464640 1099241487 /nfs/dbraw/zinc/24/14/87/1099241487.db2.gz HZYSDWGGKKMSDV-ROUUACIJSA-N 1 0 334.416 2.797 10 5 EFBERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785267466 1099249267 /nfs/dbraw/zinc/24/92/67/1099249267.db2.gz RYMFTUYJZMVJQE-SZGUKTLCSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785267465 1099249298 /nfs/dbraw/zinc/24/92/98/1099249298.db2.gz RYMFTUYJZMVJQE-SEWDUPMJSA-N 1 0 331.416 2.989 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001620524140 1099358062 /nfs/dbraw/zinc/35/80/62/1099358062.db2.gz LUALHQVVLRTRBT-SQNIBIBYSA-N 1 0 334.416 2.989 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001620627394 1099364898 /nfs/dbraw/zinc/36/48/98/1099364898.db2.gz VJXAOBGEAGPBTI-QMYADUOMSA-N 1 0 341.411 2.986 10 5 EFBERO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC001620670565 1099367392 /nfs/dbraw/zinc/36/73/92/1099367392.db2.gz TUOMHRLJGNDHIL-MRXNPFEDSA-N 1 0 327.425 2.519 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001620676219 1099371207 /nfs/dbraw/zinc/37/12/07/1099371207.db2.gz PPRATDYVNVSWGH-IBGZPJMESA-N 1 0 342.395 2.957 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC001670771708 1099413369 /nfs/dbraw/zinc/41/33/69/1099413369.db2.gz IUIQIOOCYZKHKE-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001626399390 1099869137 /nfs/dbraw/zinc/86/91/37/1099869137.db2.gz DGIIOFSYUHRDQF-UHFFFAOYSA-N 1 0 347.346 2.813 10 5 EFBERO CC[NH+]1CCC(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001626587118 1099894827 /nfs/dbraw/zinc/89/48/27/1099894827.db2.gz MLBXIIHCKDGUGY-UHFFFAOYSA-N 1 0 339.823 2.639 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)CC(C)C ZINC001627123389 1099959533 /nfs/dbraw/zinc/95/95/33/1099959533.db2.gz FRKWWPIKQSECGF-OAHLLOKOSA-N 1 0 336.436 2.785 10 5 EFBERO CC(C)(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270878856 1099991997 /nfs/dbraw/zinc/99/19/97/1099991997.db2.gz DUXICKHDHXYHBT-HUUCEWRRSA-N 1 0 339.480 2.696 10 5 EFBERO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001628127224 1100065233 /nfs/dbraw/zinc/06/52/33/1100065233.db2.gz ZUWQBYAWCDYXEW-UONOGXRCSA-N 1 0 339.823 2.780 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001628881587 1100146177 /nfs/dbraw/zinc/14/61/77/1100146177.db2.gz UQOWPCNOZQTCSR-ZDUSSCGKSA-N 1 0 337.395 2.989 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC001628987695 1100155010 /nfs/dbraw/zinc/15/50/10/1100155010.db2.gz XNUXBUXLJRGKTN-UHFFFAOYSA-N 1 0 332.335 2.751 10 5 EFBERO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001629153029 1100174654 /nfs/dbraw/zinc/17/46/54/1100174654.db2.gz PNWQGPPKASWRHF-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1C[NH+](C)C ZINC001629643070 1100232240 /nfs/dbraw/zinc/23/22/40/1100232240.db2.gz NDPOZIPTQFCMPN-UHFFFAOYSA-N 1 0 337.767 2.594 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000044561318 1100307391 /nfs/dbraw/zinc/30/73/91/1100307391.db2.gz GYLIYQUHICEENW-JTQLQIEISA-N 1 0 329.198 2.649 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001630769988 1100337605 /nfs/dbraw/zinc/33/76/05/1100337605.db2.gz AEFDHGBAFCQZHW-ZIAGYGMSSA-N 1 0 333.432 2.979 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001631057442 1100365493 /nfs/dbraw/zinc/36/54/93/1100365493.db2.gz NPHHVNMRIAFYMZ-KBPBESRZSA-N 1 0 349.431 2.844 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[N@@H+](C(C)C)C1)CC2 ZINC001632740395 1100498786 /nfs/dbraw/zinc/49/87/86/1100498786.db2.gz WGXBBWPOSGFPLY-HNNXBMFYSA-N 1 0 331.416 2.913 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001634189620 1100590191 /nfs/dbraw/zinc/59/01/91/1100590191.db2.gz LQANBSKEWFDEJF-UHFFFAOYSA-N 1 0 339.395 2.902 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687085 1100624091 /nfs/dbraw/zinc/62/40/91/1100624091.db2.gz QOIBBCMMULCIOQ-CZUORRHYSA-N 1 0 342.399 2.563 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001634861222 1100633149 /nfs/dbraw/zinc/63/31/49/1100633149.db2.gz NIXDVEUUGDKGMC-HZPDHXFCSA-N 1 0 333.432 2.716 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001634861223 1100633225 /nfs/dbraw/zinc/63/32/25/1100633225.db2.gz NIXDVEUUGDKGMC-JKSUJKDBSA-N 1 0 333.432 2.716 10 5 EFBERO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001635896472 1100686191 /nfs/dbraw/zinc/68/61/91/1100686191.db2.gz UCMUZCMHGNANJC-AWEZNQCLSA-N 1 0 346.431 2.704 10 5 EFBERO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c(N)c1[N+](=O)[O-] ZINC001636723886 1100734320 /nfs/dbraw/zinc/73/43/20/1100734320.db2.gz FKFAGSNUCKSYJE-HNNXBMFYSA-N 1 0 334.420 2.934 10 5 EFBERO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001636725815 1100734443 /nfs/dbraw/zinc/73/44/43/1100734443.db2.gz JVTNYJLJGZHETM-LBPRGKRZSA-N 1 0 339.823 2.733 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001637243508 1100767127 /nfs/dbraw/zinc/76/71/27/1100767127.db2.gz ABJUXHBKPYKEOU-UHFFFAOYSA-N 1 0 342.399 2.681 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001637702174 1100801423 /nfs/dbraw/zinc/80/14/23/1100801423.db2.gz QAFPBXQXCKIFAV-HNNXBMFYSA-N 1 0 336.436 2.679 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001637913090 1100817585 /nfs/dbraw/zinc/81/75/85/1100817585.db2.gz UTXYOTBJTLSVGQ-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO COCC[N@@H+]1CC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639488880 1100954932 /nfs/dbraw/zinc/95/49/32/1100954932.db2.gz GIZMRHVNCRYWJT-JTQLQIEISA-N 1 0 333.310 2.746 10 5 EFBERO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001639566527 1100962550 /nfs/dbraw/zinc/96/25/50/1100962550.db2.gz LBZBYSTZLIYCLO-UHFFFAOYSA-N 1 0 327.384 2.824 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC001640217957 1101024113 /nfs/dbraw/zinc/02/41/13/1101024113.db2.gz UWNNQGMYNQCZMG-SWLSCSKDSA-N 1 0 335.379 2.741 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC001640217955 1101024792 /nfs/dbraw/zinc/02/47/92/1101024792.db2.gz UWNNQGMYNQCZMG-DOMZBBRYSA-N 1 0 335.379 2.741 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001640359851 1101039672 /nfs/dbraw/zinc/03/96/72/1101039672.db2.gz GPAOGOOIQSIHQG-TXEJJXNPSA-N 1 0 339.823 2.732 10 5 EFBERO O=[N+]([O-])c1c(N2CC([NH2+]C3CCOCC3)C2)cccc1C(F)(F)F ZINC001640403331 1101043910 /nfs/dbraw/zinc/04/39/10/1101043910.db2.gz IZRZQLZINHOVHN-UHFFFAOYSA-N 1 0 345.321 2.571 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001640447884 1101047809 /nfs/dbraw/zinc/04/78/09/1101047809.db2.gz DLRPITQISHVZDN-SJORKVTESA-N 1 0 331.416 2.930 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001640951992 1101091386 /nfs/dbraw/zinc/09/13/86/1101091386.db2.gz FKXZFTCQVKOELQ-NSHDSACASA-N 1 0 345.321 2.780 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001642214725 1101199040 /nfs/dbraw/zinc/19/90/40/1101199040.db2.gz ONQMJZSPCFPVMT-LBPRGKRZSA-N 1 0 335.404 2.975 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2c1 ZINC001642431540 1101212662 /nfs/dbraw/zinc/21/26/62/1101212662.db2.gz MQWAWAORCQWBPZ-RYUDHWBXSA-N 1 0 342.399 2.611 10 5 EFBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001642491105 1101215875 /nfs/dbraw/zinc/21/58/75/1101215875.db2.gz OXYAZYQCFOLQMP-GHMZBOCLSA-N 1 0 342.237 2.882 10 5 EFBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001642755967 1101239328 /nfs/dbraw/zinc/23/93/28/1101239328.db2.gz IARLLXJOAKAFOR-HNNXBMFYSA-N 1 0 346.431 2.716 10 5 EFBERO O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCCCC2)cccc1C(F)(F)F ZINC001642823701 1101245330 /nfs/dbraw/zinc/24/53/30/1101245330.db2.gz OQEKWEMEJXPCJR-NSHDSACASA-N 1 0 347.337 2.872 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC001643203397 1101279677 /nfs/dbraw/zinc/27/96/77/1101279677.db2.gz RXMRTYSTALCSII-QPUJVOFHSA-N 1 0 327.768 2.539 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001643453208 1101300762 /nfs/dbraw/zinc/30/07/62/1101300762.db2.gz AQALHSPNSDCZKU-HUUCEWRRSA-N 1 0 333.432 2.717 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001643453209 1101300777 /nfs/dbraw/zinc/30/07/77/1101300777.db2.gz AQALHSPNSDCZKU-LSDHHAIUSA-N 1 0 333.432 2.717 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001651438413 1101331139 /nfs/dbraw/zinc/33/11/39/1101331139.db2.gz JONSYJXWWDQKMW-CQSZACIVSA-N 1 0 328.328 2.654 10 5 EFBERO Nc1cc(CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)cc[nH+]1 ZINC001651460565 1101331756 /nfs/dbraw/zinc/33/17/56/1101331756.db2.gz RQEQDBWEIIAXDQ-UHFFFAOYSA-N 1 0 334.351 2.638 10 5 EFBERO CCCC[N@H+](C)CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651506298 1101340573 /nfs/dbraw/zinc/34/05/73/1101340573.db2.gz UMTNZXGDDKGPMG-UHFFFAOYSA-N 1 0 347.375 2.617 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001670667295 1101463079 /nfs/dbraw/zinc/46/30/79/1101463079.db2.gz FLDAEFNZORWGLY-RKTXRCNFSA-N 1 0 346.431 2.685 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC001652479160 1101496252 /nfs/dbraw/zinc/49/62/52/1101496252.db2.gz JKCAVKRDURJDGV-NSHDSACASA-N 1 0 325.796 2.771 10 5 EFBERO COc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1OC ZINC001652859747 1101557968 /nfs/dbraw/zinc/55/79/68/1101557968.db2.gz KXSYLWHPPVAFLS-UHFFFAOYSA-N 1 0 342.311 2.512 10 5 EFBERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC001654397895 1101713696 /nfs/dbraw/zinc/71/36/96/1101713696.db2.gz GEBSKDCKECVKSG-AWEZNQCLSA-N 1 0 343.811 2.572 10 5 EFBERO CC(C)[NH+]1CCC(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001143383521 1101742922 /nfs/dbraw/zinc/74/29/22/1101742922.db2.gz QPOSFGLVLWPFRV-UHFFFAOYSA-N 1 0 341.358 2.610 10 5 EFBERO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000840816894 1101747266 /nfs/dbraw/zinc/74/72/66/1101747266.db2.gz AAKAHZSKKKTCHG-UHFFFAOYSA-N 1 0 334.445 2.898 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC001654907233 1101769243 /nfs/dbraw/zinc/76/92/43/1101769243.db2.gz JUUHGCQGQNPXFQ-MRXNPFEDSA-N 1 0 349.431 2.544 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001655024912 1101778293 /nfs/dbraw/zinc/77/82/93/1101778293.db2.gz QLPYQFNHHMNXPR-CHWSQXEVSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001655130161 1101789025 /nfs/dbraw/zinc/78/90/25/1101789025.db2.gz BCUOONBRXIGNLN-SJLPKXTDSA-N 1 0 347.415 2.733 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001655444825 1101828751 /nfs/dbraw/zinc/82/87/51/1101828751.db2.gz CYFWDRNICSFWJN-LLVKDONJSA-N 1 0 347.375 2.615 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC001655553869 1101848153 /nfs/dbraw/zinc/84/81/53/1101848153.db2.gz XSKZZIUXINWFLQ-CYBMUJFWSA-N 1 0 344.415 2.717 10 5 EFBERO C[NH+](C)C[C@@]1(O)CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001655611992 1101857683 /nfs/dbraw/zinc/85/76/83/1101857683.db2.gz GEBHEPOSVLGOKI-AWEZNQCLSA-N 1 0 348.230 2.795 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669764 1101866590 /nfs/dbraw/zinc/86/65/90/1101866590.db2.gz LKPYDEFJTROZFT-JKSUJKDBSA-N 1 0 326.400 2.850 10 5 EFBERO C[N@H+](CCCC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001655804845 1101891840 /nfs/dbraw/zinc/89/18/40/1101891840.db2.gz FAJJOVSQTBRGCF-HNNXBMFYSA-N 1 0 338.404 2.682 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2cc(F)ccc2F)c1 ZINC001655880712 1101904257 /nfs/dbraw/zinc/90/42/57/1101904257.db2.gz QCGFFDCDXRDAGR-MRXNPFEDSA-N 1 0 338.310 2.575 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001655894054 1101908671 /nfs/dbraw/zinc/90/86/71/1101908671.db2.gz CRYHTZAOYIEMCU-LJQANCHMSA-N 1 0 342.395 2.957 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3c4cccc(Cl)c4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001655955457 1101918223 /nfs/dbraw/zinc/91/82/23/1101918223.db2.gz KAUUXHKHDVVSHT-VHRBIJSZSA-N 1 0 346.818 2.970 10 5 EFBERO CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482504993 1102431593 /nfs/dbraw/zinc/43/15/93/1102431593.db2.gz VTEQYKJPAXOXFR-OSNZYPHYSA-N 1 0 337.464 2.568 10 5 EFBERO COc1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001658142126 1102438667 /nfs/dbraw/zinc/43/86/67/1102438667.db2.gz DHUHRSUBIPXYLP-BBRMVZONSA-N 1 0 330.384 2.858 10 5 EFBERO COc1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001658142128 1102438756 /nfs/dbraw/zinc/43/87/56/1102438756.db2.gz DHUHRSUBIPXYLP-CZUORRHYSA-N 1 0 330.384 2.858 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000588445203 1102544836 /nfs/dbraw/zinc/54/48/36/1102544836.db2.gz FOTCSQCVJNMPEG-PLFFATQSSA-N 1 0 331.416 2.989 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001660092881 1102595376 /nfs/dbraw/zinc/59/53/76/1102595376.db2.gz BYDGSFQSSSLKED-GFCCVEGCSA-N 1 0 329.356 2.893 10 5 EFBERO C[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660106549 1102602264 /nfs/dbraw/zinc/60/22/64/1102602264.db2.gz ICLGWOSCDRXHRL-ZDUSSCGKSA-N 1 0 347.415 2.597 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625951019 1102790622 /nfs/dbraw/zinc/79/06/22/1102790622.db2.gz PYVCPZOGZFNSSS-LBPRGKRZSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@H+](CCCNC(=O)C1CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001660502712 1102801127 /nfs/dbraw/zinc/80/11/27/1102801127.db2.gz WXNVODHYFBJBLP-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC(C)SCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266577988 1102844746 /nfs/dbraw/zinc/84/47/46/1102844746.db2.gz GHIYDVIHWVQIQU-HAQNSBGRSA-N 1 0 343.474 2.535 10 5 EFBERO CC(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001271831447 1102851366 /nfs/dbraw/zinc/85/13/66/1102851366.db2.gz HUOJRVKSDHEDEJ-CALCHBBNSA-N 1 0 345.443 2.921 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660627121 1102895286 /nfs/dbraw/zinc/89/52/86/1102895286.db2.gz ZURKWDBBVYBQFI-IAGOWNOFSA-N 1 0 347.415 2.957 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660627123 1102896265 /nfs/dbraw/zinc/89/62/65/1102896265.db2.gz ZURKWDBBVYBQFI-SJORKVTESA-N 1 0 347.415 2.957 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C(C)C)CC1 ZINC001660626570 1102896364 /nfs/dbraw/zinc/89/63/64/1102896364.db2.gz RBSCKESWQRXTQC-UHFFFAOYSA-N 1 0 349.431 2.715 10 5 EFBERO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000905287812 1103032938 /nfs/dbraw/zinc/03/29/38/1103032938.db2.gz GVDVLLMFJDBLOS-NXEZZACHSA-N 1 0 326.784 2.615 10 5 EFBERO CCc1occc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001493533726 1103191824 /nfs/dbraw/zinc/19/18/24/1103191824.db2.gz JVOPMVICHPQQLS-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CCCC[C@]4(CC[NH2+]C4)C3)c21 ZINC000905679911 1103494130 /nfs/dbraw/zinc/49/41/30/1103494130.db2.gz ABNVTVVZMYRNQR-QGZVFWFLSA-N 1 0 327.388 2.508 10 5 EFBERO Cc1cncc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001483457922 1103753867 /nfs/dbraw/zinc/75/38/67/1103753867.db2.gz WQRJIFUJDYKDOU-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC001663396011 1104083813 /nfs/dbraw/zinc/08/38/13/1104083813.db2.gz FBTJKLBJWOCYBK-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906412978 1104197947 /nfs/dbraw/zinc/19/79/47/1104197947.db2.gz XKOUWVOLKQWPGV-LBPRGKRZSA-N 1 0 337.807 2.534 10 5 EFBERO Cc1ccccc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001663797995 1104215846 /nfs/dbraw/zinc/21/58/46/1104215846.db2.gz VAOBKMLBVNXXTC-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000906540152 1104294382 /nfs/dbraw/zinc/29/43/82/1104294382.db2.gz LNXCKFDNHYBVHI-LLVKDONJSA-N 1 0 339.823 2.780 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C1CC1 ZINC001482621441 1104671889 /nfs/dbraw/zinc/67/18/89/1104671889.db2.gz QETSFLVERGFZGK-UHFFFAOYSA-N 1 0 333.432 2.921 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000729679593 1104767000 /nfs/dbraw/zinc/76/70/00/1104767000.db2.gz LKUIOERWUJHGIB-KRWDZBQOSA-N 1 0 330.384 2.571 10 5 EFBERO CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001666497448 1104951541 /nfs/dbraw/zinc/95/15/41/1104951541.db2.gz JSVSMWNBDJWIPJ-OSNZYPHYSA-N 1 0 349.475 2.713 10 5 EFBERO O=C(CCCF)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001666778381 1104996399 /nfs/dbraw/zinc/99/63/99/1104996399.db2.gz MHDDFCHZDTUXSK-UHFFFAOYSA-N 1 0 337.395 2.863 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482945616 1105232003 /nfs/dbraw/zinc/23/20/03/1105232003.db2.gz PYESQLPEWDMOEM-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO C[NH+]1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162126911 1105255644 /nfs/dbraw/zinc/25/56/44/1105255644.db2.gz APMVTRMETIEJTG-UHFFFAOYSA-N 1 0 328.210 2.541 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001668678964 1105347318 /nfs/dbraw/zinc/34/73/18/1105347318.db2.gz RBCWBWGTGYWETD-PLNGDYQASA-N 1 0 325.368 2.671 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001668678965 1105347346 /nfs/dbraw/zinc/34/73/46/1105347346.db2.gz RBCWBWGTGYWETD-SNAWJCMRSA-N 1 0 325.368 2.671 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001668696530 1105352112 /nfs/dbraw/zinc/35/21/12/1105352112.db2.gz PEJBOOXLNKVPGN-ONEGZZNKSA-N 1 0 343.383 2.880 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1sccc1F ZINC001668811036 1105377237 /nfs/dbraw/zinc/37/72/37/1105377237.db2.gz YASYKJGREUWOGA-ARJAWSKDSA-N 1 0 349.387 2.871 10 5 EFBERO O=C(Cc1ccccc1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668887282 1105393807 /nfs/dbraw/zinc/39/38/07/1105393807.db2.gz HYOJJJFUGKAAMK-PLNGDYQASA-N 1 0 339.395 2.600 10 5 EFBERO CC(C)(C)/C=C/C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482991454 1105493387 /nfs/dbraw/zinc/49/33/87/1105493387.db2.gz RHWKJTSNOSPKQJ-PMXBNEBOSA-N 1 0 331.416 2.959 10 5 EFBERO CC/C=C(\C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001675723094 1106416783 /nfs/dbraw/zinc/41/67/83/1106416783.db2.gz ZQGKKGZBMKKCCE-OUJSNVSMSA-N 1 0 331.416 2.936 10 5 EFBERO CC/C(C)=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001675740074 1106418063 /nfs/dbraw/zinc/41/80/63/1106418063.db2.gz XILPRSIAPGIGEX-VBBNOBIOSA-N 1 0 331.416 2.936 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001680699562 1108026911 /nfs/dbraw/zinc/02/69/11/1108026911.db2.gz JUACUNRPHAGEGV-HZPDHXFCSA-N 1 0 334.420 2.782 10 5 EFBERO Cc1ccccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001483712640 1108150149 /nfs/dbraw/zinc/15/01/49/1108150149.db2.gz NPPCQEVVHLCIMQ-UHFFFAOYSA-N 1 0 339.395 2.955 10 5 EFBERO Cc1c([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000926953458 1108255159 /nfs/dbraw/zinc/25/51/59/1108255159.db2.gz LKAJDIXLBSPHDM-LBPRGKRZSA-N 1 0 328.434 2.625 10 5 EFBERO Cc1ccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001681505554 1108304558 /nfs/dbraw/zinc/30/45/58/1108304558.db2.gz KXDMWJOGDGHUPT-HNNXBMFYSA-N 1 0 348.447 2.967 10 5 EFBERO CC[NH+](CC)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000097102837 1108454555 /nfs/dbraw/zinc/45/45/55/1108454555.db2.gz UKBOMDUHHTZUFE-UHFFFAOYSA-N 1 0 337.423 2.753 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)s1 ZINC001483100930 1108660713 /nfs/dbraw/zinc/66/07/13/1108660713.db2.gz QTURNEYKZAYJDG-UPHRSURJSA-N 1 0 349.387 2.871 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(CCF)C2)cc1Cl ZINC000898502145 1108986062 /nfs/dbraw/zinc/98/60/62/1108986062.db2.gz AYLDPTLWOMSRKH-LLVKDONJSA-N 1 0 343.786 2.720 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC([NH+]2CCCC2)C1 ZINC000898603196 1109025040 /nfs/dbraw/zinc/02/50/40/1109025040.db2.gz FTMKDKYNQQQWHP-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000898833433 1109097030 /nfs/dbraw/zinc/09/70/30/1109097030.db2.gz SSQUONPRBZJQKN-APHBMKBZSA-N 1 0 331.416 2.687 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C12CCC2 ZINC000898834027 1109097224 /nfs/dbraw/zinc/09/72/24/1109097224.db2.gz CHLXUHYVJULZIM-LSDHHAIUSA-N 1 0 342.399 2.679 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C12CCC2 ZINC000898834020 1109097351 /nfs/dbraw/zinc/09/73/51/1109097351.db2.gz CHLXUHYVJULZIM-CABCVRRESA-N 1 0 342.399 2.679 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C12CCC2 ZINC000898834025 1109097505 /nfs/dbraw/zinc/09/75/05/1109097505.db2.gz CHLXUHYVJULZIM-HUUCEWRRSA-N 1 0 342.399 2.679 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000899560766 1109386672 /nfs/dbraw/zinc/38/66/72/1109386672.db2.gz ZGQZDWDJMMPKTP-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000899559268 1109390761 /nfs/dbraw/zinc/39/07/61/1109390761.db2.gz PKRMFAHDNSFBEQ-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000899560220 1109390929 /nfs/dbraw/zinc/39/09/29/1109390929.db2.gz IZZRNHHMBVCEFV-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000899564664 1109396162 /nfs/dbraw/zinc/39/61/62/1109396162.db2.gz ZUBMNXBQHOFYRF-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC001483756351 1111958286 /nfs/dbraw/zinc/95/82/86/1111958286.db2.gz XEUFLHASAJLISR-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1(CF)CCC1 ZINC001484652499 1113093303 /nfs/dbraw/zinc/09/33/03/1113093303.db2.gz FCIYDBLDLXQQRA-UHFFFAOYSA-N 1 0 349.406 2.863 10 5 EFBERO Cc1nc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1C ZINC000100813158 219108142 /nfs/dbraw/zinc/10/81/42/219108142.db2.gz NKYIFAUODKQOMA-INIZCTEOSA-N 1 0 343.431 2.613 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000183332060 235011996 /nfs/dbraw/zinc/01/19/96/235011996.db2.gz DTHWSPBMTCUBIK-UHFFFAOYSA-N 1 0 341.415 2.794 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183650654 235182146 /nfs/dbraw/zinc/18/21/46/235182146.db2.gz RDJVMLNQRNYZOT-CZUORRHYSA-N 1 0 343.383 2.553 10 5 EFBERO COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)[NH2+]CC2 ZINC000022405278 202084188 /nfs/dbraw/zinc/08/41/88/202084188.db2.gz WMWABYMCPRZGDX-MRXNPFEDSA-N 1 0 344.367 2.878 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000191381894 239077535 /nfs/dbraw/zinc/07/75/35/239077535.db2.gz OXUAPEZLTCCTCT-CQSZACIVSA-N 1 0 332.404 2.914 10 5 EFBERO O=C(NCC[C@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418354797 283964786 /nfs/dbraw/zinc/96/47/86/283964786.db2.gz WFZHBDWNCAGGEX-CQSZACIVSA-N 1 0 346.431 2.659 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412091397 243131368 /nfs/dbraw/zinc/13/13/68/243131368.db2.gz UVELCEXNSZLNPC-OAHLLOKOSA-N 1 0 349.431 2.871 10 5 EFBERO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000069629276 203029275 /nfs/dbraw/zinc/02/92/75/203029275.db2.gz CKKSREGDBGQINR-UHFFFAOYSA-N 1 0 342.399 2.502 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000069870141 203058744 /nfs/dbraw/zinc/05/87/44/203058744.db2.gz HDCXRACGNUECSA-GXFFZTMASA-N 1 0 345.321 2.751 10 5 EFBERO Cc1c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000105803873 204160294 /nfs/dbraw/zinc/16/02/94/204160294.db2.gz PREOORXEMOEQLB-INIZCTEOSA-N 1 0 341.415 2.794 10 5 EFBERO CN(c1cccnn1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105807137 204162462 /nfs/dbraw/zinc/16/24/62/204162462.db2.gz YGQLSYLULPLJRK-UHFFFAOYSA-N 1 0 341.415 2.528 10 5 EFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105884783 204175668 /nfs/dbraw/zinc/17/56/68/204175668.db2.gz MRSJOYFRVVFYBV-INIZCTEOSA-N 1 0 329.404 2.715 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106182345 204186770 /nfs/dbraw/zinc/18/67/70/204186770.db2.gz YXZADVULGJGBFL-UHFFFAOYSA-N 1 0 344.415 2.972 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000107316782 204231791 /nfs/dbraw/zinc/23/17/91/204231791.db2.gz MZQCCVFWFIFHNF-LSDHHAIUSA-N 1 0 333.432 2.841 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107527147 204240770 /nfs/dbraw/zinc/24/07/70/204240770.db2.gz HXEPHIJYWWBKQW-AWEZNQCLSA-N 1 0 335.379 2.824 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120590476 204745921 /nfs/dbraw/zinc/74/59/21/204745921.db2.gz OTVMFGZRAWGZAD-UHFFFAOYSA-N 1 0 333.432 2.766 10 5 EFBERO CCC[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](C)C ZINC000126976584 205080058 /nfs/dbraw/zinc/08/00/58/205080058.db2.gz CPGBXGZSBOYBCQ-AWEZNQCLSA-N 1 0 331.376 2.654 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246117704 205177763 /nfs/dbraw/zinc/17/77/63/205177763.db2.gz KDOVUTCLZBRITH-UKRRQHHQSA-N 1 0 333.432 2.979 10 5 EFBERO COC(=O)c1cc(NC2CC[NH+](C(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000129332732 205190454 /nfs/dbraw/zinc/19/04/54/205190454.db2.gz QQNIXHDSOAGLCP-UHFFFAOYSA-N 1 0 335.404 2.975 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000151453033 205643111 /nfs/dbraw/zinc/64/31/11/205643111.db2.gz BFZLXHKCRBPFIA-CZUORRHYSA-N 1 0 338.429 2.748 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421711125 246075845 /nfs/dbraw/zinc/07/58/45/246075845.db2.gz NSRBGKOBIHWEEP-LBPRGKRZSA-N 1 0 325.796 2.723 10 5 EFBERO C[NH+](C)C1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000422002207 246210417 /nfs/dbraw/zinc/21/04/17/246210417.db2.gz AIHRQKSXXHPWOC-UHFFFAOYSA-N 1 0 330.388 2.679 10 5 EFBERO CCC[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000159709000 206259393 /nfs/dbraw/zinc/25/93/93/206259393.db2.gz PKDDQKZXAPWPQK-CQSZACIVSA-N 1 0 327.812 2.937 10 5 EFBERO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424199906 246696930 /nfs/dbraw/zinc/69/69/30/246696930.db2.gz LGNMBPGWDZZWBS-CRAIPNDOSA-N 1 0 327.384 2.976 10 5 EFBERO CC[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425693459 247168964 /nfs/dbraw/zinc/16/89/64/247168964.db2.gz STDBNLRBHJHCTK-BHYGNILZSA-N 1 0 346.431 2.782 10 5 EFBERO COc1cc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000425987057 247222091 /nfs/dbraw/zinc/22/20/91/247222091.db2.gz YJTFNRKGAPHUEC-UHFFFAOYSA-N 1 0 345.403 2.649 10 5 EFBERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426006142 247224833 /nfs/dbraw/zinc/22/48/33/247224833.db2.gz ZUFBCOYYOLOARQ-WCQYABFASA-N 1 0 333.413 2.921 10 5 EFBERO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000265485380 247546015 /nfs/dbraw/zinc/54/60/15/247546015.db2.gz ITFDBSQJSUMXKU-LLVKDONJSA-N 1 0 340.811 2.556 10 5 EFBERO Cc1cc(OCC(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435581315 249379616 /nfs/dbraw/zinc/37/96/16/249379616.db2.gz YBTHDIKJNWOXFY-UHFFFAOYSA-N 1 0 349.431 2.663 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000171111872 206661229 /nfs/dbraw/zinc/66/12/29/206661229.db2.gz RXYKVOKSZYAETL-VIFPVBQESA-N 1 0 349.368 2.674 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441278868 250013214 /nfs/dbraw/zinc/01/32/14/250013214.db2.gz QRWWSEWGNJIFPX-INWMFGNUSA-N 1 0 335.404 2.777 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441281243 250015011 /nfs/dbraw/zinc/01/50/11/250015011.db2.gz TWLWQCYEFOSCGR-ILXRZTDVSA-N 1 0 347.415 2.670 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441282472 250015743 /nfs/dbraw/zinc/01/57/43/250015743.db2.gz VNDRZDDZZAGSQX-QLFBSQMISA-N 1 0 347.415 2.670 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000441285891 250015775 /nfs/dbraw/zinc/01/57/75/250015775.db2.gz ZKVZUYTZNMMJMO-CABCVRRESA-N 1 0 347.415 2.672 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795245 250119862 /nfs/dbraw/zinc/11/98/62/250119862.db2.gz DUIVCIARQYRIBZ-RCBQFDQVSA-N 1 0 335.404 2.859 10 5 EFBERO COc1cccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000444178135 250268586 /nfs/dbraw/zinc/26/85/86/250268586.db2.gz BHTBDKJAFVGKJN-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO CC[NH+](CC)CCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171980062 206775515 /nfs/dbraw/zinc/77/55/15/206775515.db2.gz VLCKBBHMHZHPQH-UHFFFAOYSA-N 1 0 332.404 2.928 10 5 EFBERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174657535 207043041 /nfs/dbraw/zinc/04/30/41/207043041.db2.gz NGXNCEABRVUTQT-KSSFIOAISA-N 1 0 346.431 2.702 10 5 EFBERO COC[C@](C)(O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449384434 251007316 /nfs/dbraw/zinc/00/73/16/251007316.db2.gz NLYCSOKQNUSFHO-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449418705 251019644 /nfs/dbraw/zinc/01/96/44/251019644.db2.gz FBLJVFOFCCNHJC-MFKMUULPSA-N 1 0 330.331 2.789 10 5 EFBERO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000174967769 207077667 /nfs/dbraw/zinc/07/76/67/207077667.db2.gz FIXYVEVPUHBLOE-CVEARBPZSA-N 1 0 331.416 2.991 10 5 EFBERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676091 251113783 /nfs/dbraw/zinc/11/37/83/251113783.db2.gz FBUAAJAQOURHEB-GUYCJALGSA-N 1 0 346.383 2.827 10 5 EFBERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676598 251113978 /nfs/dbraw/zinc/11/39/78/251113978.db2.gz IJLPYZUWBSHBMR-GUYCJALGSA-N 1 0 346.383 2.827 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175519935 207136082 /nfs/dbraw/zinc/13/60/82/207136082.db2.gz KVMJEVUKWLWCCI-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449775738 251151401 /nfs/dbraw/zinc/15/14/01/251151401.db2.gz RHGDSAZUKWYTIR-GDBMZVCRSA-N 1 0 330.388 2.647 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000267630001 251207037 /nfs/dbraw/zinc/20/70/37/251207037.db2.gz GKUVEFSAVSOEPJ-IRXDYDNUSA-N 1 0 348.378 2.519 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000267630005 251207993 /nfs/dbraw/zinc/20/79/93/251207993.db2.gz GKUVEFSAVSOEPJ-SJORKVTESA-N 1 0 348.378 2.519 10 5 EFBERO Cc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450317917 251344229 /nfs/dbraw/zinc/34/42/29/251344229.db2.gz URFAZAOECRUHEC-OAHLLOKOSA-N 1 0 333.436 2.786 10 5 EFBERO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450436878 251386968 /nfs/dbraw/zinc/38/69/68/251386968.db2.gz RVCFPJTWAFGTCU-OLZOCXBDSA-N 1 0 343.431 2.958 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000451340609 251532081 /nfs/dbraw/zinc/53/20/81/251532081.db2.gz JXSVHHITHROLSI-KURKYZTESA-N 1 0 334.416 2.989 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177024258 207283723 /nfs/dbraw/zinc/28/37/23/207283723.db2.gz CBBWTCXJHPMQQZ-AWEZNQCLSA-N 1 0 339.823 2.733 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177095691 207293322 /nfs/dbraw/zinc/29/33/22/207293322.db2.gz FCPDZUCRTGGTDG-CMPLNLGQSA-N 1 0 338.795 2.949 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177095676 207293754 /nfs/dbraw/zinc/29/37/54/207293754.db2.gz FCPDZUCRTGGTDG-ZYHUDNBSSA-N 1 0 338.795 2.949 10 5 EFBERO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268556265 252020359 /nfs/dbraw/zinc/02/03/59/252020359.db2.gz NOAJHASXMOXPJH-CQSZACIVSA-N 1 0 329.356 2.534 10 5 EFBERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565449 207503018 /nfs/dbraw/zinc/50/30/18/207503018.db2.gz LHCGMWZHAKWILW-SJKOYZFVSA-N 1 0 346.383 2.996 10 5 EFBERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000302068669 141425137 /nfs/dbraw/zinc/42/51/37/141425137.db2.gz UWICPXCRXSNUQM-UHFFFAOYSA-N 1 0 331.347 2.725 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000326631439 141502806 /nfs/dbraw/zinc/50/28/06/141502806.db2.gz UYGXHPPDAOJCAZ-UHFFFAOYSA-N 1 0 337.395 2.928 10 5 EFBERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000336725121 141514838 /nfs/dbraw/zinc/51/48/38/141514838.db2.gz OHGHBDOSXOCLED-UHFFFAOYSA-N 1 0 331.347 2.725 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000345942982 142121792 /nfs/dbraw/zinc/12/17/92/142121792.db2.gz FKJYJXDCHYRNOF-NWDGAFQWSA-N 1 0 330.388 2.631 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278168 145024991 /nfs/dbraw/zinc/02/49/91/145024991.db2.gz UTRZGINPKBDZBD-PBHICJAKSA-N 1 0 338.448 2.966 10 5 EFBERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000342428332 145124462 /nfs/dbraw/zinc/12/44/62/145124462.db2.gz GMHKCRRHSWMFGJ-RYQLBKOJSA-N 1 0 331.416 2.640 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000343763556 145289022 /nfs/dbraw/zinc/28/90/22/145289022.db2.gz VWSFRCBBZWQROA-VKJFTORMSA-N 1 0 334.416 2.847 10 5 EFBERO [NH3+]CCN(Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000348927246 146025253 /nfs/dbraw/zinc/02/52/53/146025253.db2.gz ZRLVXQWCKVHYDG-UHFFFAOYSA-N 1 0 337.383 2.950 10 5 EFBERO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCC[N@H+](C)C1 ZINC000349128891 146057435 /nfs/dbraw/zinc/05/74/35/146057435.db2.gz LKJYZCCMIKDBSR-JTQLQIEISA-N 1 0 345.321 2.780 10 5 EFBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000351604320 146157572 /nfs/dbraw/zinc/15/75/72/146157572.db2.gz UKQWBVFAZKRCSN-LBPRGKRZSA-N 1 0 330.340 2.850 10 5 EFBERO COc1c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355803169 147068929 /nfs/dbraw/zinc/06/89/29/147068929.db2.gz RCHBTDOIOHZVDK-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000357000896 147396689 /nfs/dbraw/zinc/39/66/89/147396689.db2.gz WTCQAXHDOUIIGA-SQWLQELKSA-N 1 0 334.420 2.681 10 5 EFBERO CC[NH+](CC)CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359043863 147976077 /nfs/dbraw/zinc/97/60/77/147976077.db2.gz NXRCOEHQVLEMOT-UHFFFAOYSA-N 1 0 345.346 2.658 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359356441 148064479 /nfs/dbraw/zinc/06/44/79/148064479.db2.gz AKSIEGVHXOIXRA-UHFFFAOYSA-N 1 0 345.346 2.658 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359454736 148089228 /nfs/dbraw/zinc/08/92/28/148089228.db2.gz DREVQZBTOYXKQK-INIZCTEOSA-N 1 0 333.432 2.860 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000359540596 148115612 /nfs/dbraw/zinc/11/56/12/148115612.db2.gz CNRODHMHJWPBLD-KYJSFNMBSA-N 1 0 334.416 2.847 10 5 EFBERO Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545296 148117602 /nfs/dbraw/zinc/11/76/02/148117602.db2.gz RWWPAOYXOTXHMF-DOMZBBRYSA-N 1 0 334.420 2.527 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000359555927 148121101 /nfs/dbraw/zinc/12/11/01/148121101.db2.gz LFMJNSMLRVYNEI-AUUYWEPGSA-N 1 0 343.427 2.996 10 5 EFBERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570124 148126479 /nfs/dbraw/zinc/12/64/79/148126479.db2.gz ZJGSUERVGGBZTO-XHDPSFHLSA-N 1 0 346.387 2.750 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360341982 148335471 /nfs/dbraw/zinc/33/54/71/148335471.db2.gz HNUCXUIARDBWEN-INIZCTEOSA-N 1 0 327.384 2.933 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361402470 148620901 /nfs/dbraw/zinc/62/09/01/148620901.db2.gz JEBYCUVVTHATAN-HNNXBMFYSA-N 1 0 335.404 2.731 10 5 EFBERO Cc1ccnc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363807279 149014540 /nfs/dbraw/zinc/01/45/40/149014540.db2.gz ULWCBQFXKAYZAT-UHFFFAOYSA-N 1 0 342.399 2.952 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000368102142 150036594 /nfs/dbraw/zinc/03/65/94/150036594.db2.gz MOTOWCXAODOPED-GDBMZVCRSA-N 1 0 326.400 2.786 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000368102143 150037172 /nfs/dbraw/zinc/03/71/72/150037172.db2.gz MOTOWCXAODOPED-GOEBONIOSA-N 1 0 326.400 2.786 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368151208 150051360 /nfs/dbraw/zinc/05/13/60/150051360.db2.gz ZHHFHCKZOPOUJL-CRAIPNDOSA-N 1 0 327.384 2.588 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000368259909 150079850 /nfs/dbraw/zinc/07/98/50/150079850.db2.gz HCUOYHJWEFHYPB-SFHVURJKSA-N 1 0 330.359 2.870 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000368429425 150115256 /nfs/dbraw/zinc/11/52/56/150115256.db2.gz NZHYMUYOBKHJRY-DDHJSBNISA-N 1 0 347.415 2.653 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1Cl ZINC000369377793 150339877 /nfs/dbraw/zinc/33/98/77/150339877.db2.gz NDROBDLAYDTLIG-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370524864 150613933 /nfs/dbraw/zinc/61/39/33/150613933.db2.gz WDTCWVIBWDDSFK-UHFFFAOYSA-N 1 0 332.404 2.517 10 5 EFBERO COc1cc(C[N@@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000353825567 286217696 /nfs/dbraw/zinc/21/76/96/286217696.db2.gz YKGRDHLRUWYQFN-GFCCVEGCSA-N 1 0 326.393 2.857 10 5 EFBERO COc1ccc(OCC[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000374206435 151300818 /nfs/dbraw/zinc/30/08/18/151300818.db2.gz DSOFLLYZWIPZOJ-UHFFFAOYSA-N 1 0 346.387 2.585 10 5 EFBERO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000374435468 151347145 /nfs/dbraw/zinc/34/71/45/151347145.db2.gz FXCRQBUKEPBVEK-UHFFFAOYSA-N 1 0 346.431 2.763 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374987966 151448311 /nfs/dbraw/zinc/44/83/11/151448311.db2.gz MTLBQSNSWKBTSE-QRQLOZEOSA-N 1 0 342.395 2.996 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000376161016 151667009 /nfs/dbraw/zinc/66/70/09/151667009.db2.gz GCDKNGJRQFKZEQ-SHFYGJNESA-N 1 0 331.416 2.515 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378424534 152081721 /nfs/dbraw/zinc/08/17/21/152081721.db2.gz NALWRTOJNAZOGK-WFASDCNBSA-N 1 0 326.780 2.676 10 5 EFBERO Cc1cn2c(n1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000378619626 152128481 /nfs/dbraw/zinc/12/84/81/152128481.db2.gz FZWNGFIFWZOVBQ-UHFFFAOYSA-N 1 0 335.751 2.801 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000123405798 222272466 /nfs/dbraw/zinc/27/24/66/222272466.db2.gz LLUWTZKVZUUEOK-CQSZACIVSA-N 1 0 337.420 2.528 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113328517 544569776 /nfs/dbraw/zinc/56/97/76/544569776.db2.gz URCVKZSPPNVHDN-HNNXBMFYSA-N 1 0 332.429 2.902 10 5 EFBERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000194128943 265364320 /nfs/dbraw/zinc/36/43/20/265364320.db2.gz JSRJUQJFVCIIGE-UHFFFAOYSA-N 1 0 342.399 2.680 10 5 EFBERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194519255 265375226 /nfs/dbraw/zinc/37/52/26/265375226.db2.gz ZXBJWXOKJLPMSO-LBPRGKRZSA-N 1 0 340.383 2.979 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000194665038 265379490 /nfs/dbraw/zinc/37/94/90/265379490.db2.gz URYWCRUXWZUASE-SJCJKPOMSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000265578297 265484026 /nfs/dbraw/zinc/48/40/26/265484026.db2.gz WDBXMFRCHBLJII-PHIMTYICSA-N 1 0 328.800 2.554 10 5 EFBERO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271803290 266065187 /nfs/dbraw/zinc/06/51/87/266065187.db2.gz WYGKPUXVAKDSEU-CABCVRRESA-N 1 0 330.384 2.994 10 5 EFBERO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272264366 266208437 /nfs/dbraw/zinc/20/84/37/266208437.db2.gz AEAJPDIALMRUGZ-CJNGLKHVSA-N 1 0 349.431 2.652 10 5 EFBERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276511354 267003253 /nfs/dbraw/zinc/00/32/53/267003253.db2.gz BGUVILNTNVDTOD-GFCCVEGCSA-N 1 0 339.823 2.970 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000277908993 267296483 /nfs/dbraw/zinc/29/64/83/267296483.db2.gz DGODJGZNCDOAOK-LLVKDONJSA-N 1 0 337.807 2.771 10 5 EFBERO CC(C)c1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189038034 273058700 /nfs/dbraw/zinc/05/87/00/273058700.db2.gz RTWJLYJGHOAFHW-UHFFFAOYSA-N 1 0 349.431 2.560 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271117778 273099094 /nfs/dbraw/zinc/09/90/94/273099094.db2.gz WWMYQBVGPLHLNL-CYBMUJFWSA-N 1 0 330.340 2.850 10 5 EFBERO COC(=O)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000277135389 273147669 /nfs/dbraw/zinc/14/76/69/273147669.db2.gz JOXDMRKTUFRSQO-CYBMUJFWSA-N 1 0 335.404 2.610 10 5 EFBERO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CN1 ZINC000279467436 273218504 /nfs/dbraw/zinc/21/85/04/273218504.db2.gz RVFUWMXFNNISCY-SFHVURJKSA-N 1 0 341.367 2.567 10 5 EFBERO CN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000281567578 273447996 /nfs/dbraw/zinc/44/79/96/273447996.db2.gz ANDSFOWNDHFUMY-UHFFFAOYSA-N 1 0 330.388 2.634 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033810 273788654 /nfs/dbraw/zinc/78/86/54/273788654.db2.gz JLWUKNBIHUUPQP-BZNIZROVSA-N 1 0 331.372 2.570 10 5 EFBERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285449842 274001699 /nfs/dbraw/zinc/00/16/99/274001699.db2.gz ZLJWRVCBZFJCLS-QMMMGPOBSA-N 1 0 343.309 2.780 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000285453577 274002387 /nfs/dbraw/zinc/00/23/87/274002387.db2.gz YRNIJRZBRKAWIH-GOSISDBHSA-N 1 0 344.411 2.647 10 5 EFBERO COC[C@@]1(CNc2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261686804 274047138 /nfs/dbraw/zinc/04/71/38/274047138.db2.gz HJPVPPAFVIHOFK-ZDUSSCGKSA-N 1 0 344.209 2.538 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286124004 274138362 /nfs/dbraw/zinc/13/83/62/274138362.db2.gz MOLZRCIRPZGOKR-NSHDSACASA-N 1 0 331.376 2.530 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286232345 274158506 /nfs/dbraw/zinc/15/85/06/274158506.db2.gz CTXSYHCONOLLEB-PBWFPOADSA-N 1 0 347.415 2.751 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000286650102 274243415 /nfs/dbraw/zinc/24/34/15/274243415.db2.gz CGXXFMSVMXTVDX-ZYHUDNBSSA-N 1 0 335.433 2.766 10 5 EFBERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191169606 274283802 /nfs/dbraw/zinc/28/38/02/274283802.db2.gz LMWQWJOQDXHTIB-VXGBXAGGSA-N 1 0 331.372 2.984 10 5 EFBERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287227681 274372862 /nfs/dbraw/zinc/37/28/62/274372862.db2.gz QLSHHHFHKPSERS-SJCJKPOMSA-N 1 0 342.399 2.775 10 5 EFBERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806892 274380114 /nfs/dbraw/zinc/38/01/14/274380114.db2.gz DFPBIZXDXYUIRN-BXKDBHETSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789555 274384679 /nfs/dbraw/zinc/38/46/79/274384679.db2.gz XIEGERBGVNEKTO-MGPQQGTHSA-N 1 0 331.416 2.850 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588485 274397364 /nfs/dbraw/zinc/39/73/64/274397364.db2.gz VBABQASRETYUDD-ZPUIDXCVSA-N 1 0 329.400 2.571 10 5 EFBERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789548 274399490 /nfs/dbraw/zinc/39/94/90/274399490.db2.gz XIEGERBGVNEKTO-HZSPNIEDSA-N 1 0 331.416 2.850 10 5 EFBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288457776 274596933 /nfs/dbraw/zinc/59/69/33/274596933.db2.gz PSKRGGIQUGFBHZ-TZMCWYRMSA-N 1 0 342.399 2.775 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261617822 275035162 /nfs/dbraw/zinc/03/51/62/275035162.db2.gz UHUGUCJJQCMEJG-CYBMUJFWSA-N 1 0 326.194 2.547 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000172757285 275036629 /nfs/dbraw/zinc/03/66/29/275036629.db2.gz UUEGNHHGVIJABF-LLVKDONJSA-N 1 0 326.194 2.642 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000174685389 275037143 /nfs/dbraw/zinc/03/71/43/275037143.db2.gz JTWMGEVNMJNUBG-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130367699 275594187 /nfs/dbraw/zinc/59/41/87/275594187.db2.gz JWGVFKXCWGJXPG-CYBMUJFWSA-N 1 0 344.415 2.849 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120555215 276111735 /nfs/dbraw/zinc/11/17/35/276111735.db2.gz CUQMYYIWYDTKIE-AWEZNQCLSA-N 1 0 348.447 2.999 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998528 276225455 /nfs/dbraw/zinc/22/54/55/276225455.db2.gz WXWPMBFHKXKPMB-DOMZBBRYSA-N 1 0 336.392 2.665 10 5 EFBERO CC[NH+](CC)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000447681211 276336256 /nfs/dbraw/zinc/33/62/56/276336256.db2.gz XBLAVZQUBSEOKT-HNNXBMFYSA-N 1 0 343.387 2.981 10 5 EFBERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2C1 ZINC000425090768 277156174 /nfs/dbraw/zinc/15/61/74/277156174.db2.gz XQMLUNRLAHNINE-UHFFFAOYSA-N 1 0 349.416 2.788 10 5 EFBERO CN1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424330242 277163140 /nfs/dbraw/zinc/16/31/40/277163140.db2.gz RRCKPZBDYZXMTA-GUYCJALGSA-N 1 0 331.416 2.820 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000189754869 277168020 /nfs/dbraw/zinc/16/80/20/277168020.db2.gz BXUSZYOKVMWFRR-HOCLYGCPSA-N 1 0 341.371 2.557 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247911283 277168837 /nfs/dbraw/zinc/16/88/37/277168837.db2.gz AFPQJYFBJQNJFW-DOTOQJQBSA-N 1 0 343.358 2.909 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427966814 278221899 /nfs/dbraw/zinc/22/18/99/278221899.db2.gz BFKDBEXQCVKTQJ-WFASDCNBSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811091 278281331 /nfs/dbraw/zinc/28/13/31/278281331.db2.gz HKVZNLZHQZILQA-ZFWWWQNUSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H]([NH3+])C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834906 278305063 /nfs/dbraw/zinc/30/50/63/278305063.db2.gz YSMYBZUPSWKILO-SECBINFHSA-N 1 0 328.210 2.921 10 5 EFBERO CC[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187280954 288058329 /nfs/dbraw/zinc/05/83/29/288058329.db2.gz XJOCPLTZLNMBBE-LRDDRELGSA-N 1 0 340.445 2.849 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588482 278937638 /nfs/dbraw/zinc/93/76/38/278937638.db2.gz VBABQASRETYUDD-DTJGQCLQSA-N 1 0 329.400 2.571 10 5 EFBERO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357689509 279423867 /nfs/dbraw/zinc/42/38/67/279423867.db2.gz WSFHLRGWJIBIFW-SJCJKPOMSA-N 1 0 339.399 2.996 10 5 EFBERO Cc1c(Br)c(N2CC[C@@H]([NH3+])C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000261758766 280198569 /nfs/dbraw/zinc/19/85/69/280198569.db2.gz NNIFYIWIBDBXKP-SNVBAGLBSA-N 1 0 343.225 2.624 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000134359378 293287062 /nfs/dbraw/zinc/28/70/62/293287062.db2.gz JHGNOBAYMXVORF-UHFFFAOYSA-N 1 0 349.337 2.865 10 5 EFBERO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152967598 293354374 /nfs/dbraw/zinc/35/43/74/293354374.db2.gz XUHHXHDTVAGIGY-INIZCTEOSA-N 1 0 347.415 2.617 10 5 EFBERO C[C@H](C(=O)N1CCC(C)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355028 293372232 /nfs/dbraw/zinc/37/22/32/293372232.db2.gz KFJSOYGFUZAVGJ-CQSZACIVSA-N 1 0 331.416 2.600 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000155122952 293456827 /nfs/dbraw/zinc/45/68/27/293456827.db2.gz LUQIJWFEBZECBK-CYBMUJFWSA-N 1 0 345.403 2.625 10 5 EFBERO Cc1sc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341038663 294071983 /nfs/dbraw/zinc/07/19/83/294071983.db2.gz MMQBUYMXTINJDJ-PHIMTYICSA-N 1 0 325.434 2.957 10 5 EFBERO COc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000291110208 294278376 /nfs/dbraw/zinc/27/83/76/294278376.db2.gz KIDVPDAVXKEQEI-INIZCTEOSA-N 1 0 339.367 2.754 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293932776 295081930 /nfs/dbraw/zinc/08/19/30/295081930.db2.gz YXIADFIXJIFYFQ-JTQLQIEISA-N 1 0 345.321 2.685 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593264 295191016 /nfs/dbraw/zinc/19/10/16/295191016.db2.gz CWOUWDARPDMZDV-MLGOLLRUSA-N 1 0 340.383 2.633 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000295035209 295259901 /nfs/dbraw/zinc/25/99/01/295259901.db2.gz DMNMCAOOHXXTDE-UHFFFAOYSA-N 1 0 340.445 2.596 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202512 295281864 /nfs/dbraw/zinc/28/18/64/295281864.db2.gz KYRAWFUZGHSREB-NOZJJQNGSA-N 1 0 341.795 2.732 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207170 295282311 /nfs/dbraw/zinc/28/23/11/295282311.db2.gz LQVBGUKRQUEKIT-NOZJJQNGSA-N 1 0 341.795 2.732 10 5 EFBERO COc1cccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000340024416 295306002 /nfs/dbraw/zinc/30/60/02/295306002.db2.gz ZIVVJGLNQQERGX-HNNXBMFYSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299609220 311102493 /nfs/dbraw/zinc/10/24/93/311102493.db2.gz IINMMQXJBVAPKQ-INIZCTEOSA-N 1 0 339.395 2.908 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000299645675 311106578 /nfs/dbraw/zinc/10/65/78/311106578.db2.gz NYOYDCNBFUNGQX-HNNXBMFYSA-N 1 0 333.413 2.997 10 5 EFBERO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000300488191 311116063 /nfs/dbraw/zinc/11/60/63/311116063.db2.gz OOBZHQBJVQUKEN-NXEZZACHSA-N 1 0 328.210 2.839 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000301061820 311116540 /nfs/dbraw/zinc/11/65/40/311116540.db2.gz CHCXGMHVJKNHTB-UGSOOPFHSA-N 1 0 348.447 2.877 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000301061816 311116585 /nfs/dbraw/zinc/11/65/85/311116585.db2.gz CHCXGMHVJKNHTB-FZKQIMNGSA-N 1 0 348.447 2.877 10 5 EFBERO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301166757 311122513 /nfs/dbraw/zinc/12/25/13/311122513.db2.gz DYHWOZCTKYMDOG-ZDUSSCGKSA-N 1 0 346.431 2.903 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301214390 311124899 /nfs/dbraw/zinc/12/48/99/311124899.db2.gz XGMAJHFZKSLSLE-OWNNVSBGSA-N 1 0 333.388 2.535 10 5 EFBERO Cc1nn(C)c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000301276953 311128512 /nfs/dbraw/zinc/12/85/12/311128512.db2.gz LGTFIMDIXYLPMJ-OAHLLOKOSA-N 1 0 335.452 2.729 10 5 EFBERO Cc1ccnc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000301436944 311137347 /nfs/dbraw/zinc/13/73/47/311137347.db2.gz HQCPCJHMZGEBRL-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695683 311152667 /nfs/dbraw/zinc/15/26/67/311152667.db2.gz POAKSIGDTWNURK-TZMCWYRMSA-N 1 0 335.404 2.975 10 5 EFBERO Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301814925 311159766 /nfs/dbraw/zinc/15/97/66/311159766.db2.gz INBJEYGTLWJINZ-QGZVFWFLSA-N 1 0 333.432 2.984 10 5 EFBERO CC[NH+]1CCN(c2ccc(CNc3sccc3[N+](=O)[O-])cn2)CC1 ZINC000301987221 311170531 /nfs/dbraw/zinc/17/05/31/311170531.db2.gz KRIBWMOQKNQMBD-UHFFFAOYSA-N 1 0 347.444 2.805 10 5 EFBERO COC[C@@H](C)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302034720 311173798 /nfs/dbraw/zinc/17/37/98/311173798.db2.gz UDJIYMFETOGUOL-CQSZACIVSA-N 1 0 344.415 2.608 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000302093759 311177324 /nfs/dbraw/zinc/17/73/24/311177324.db2.gz NBWFBWKOENSQML-CYBMUJFWSA-N 1 0 335.404 2.914 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)c1 ZINC000302098106 311177746 /nfs/dbraw/zinc/17/77/46/311177746.db2.gz OUWZKOLUDVWUMY-UHFFFAOYSA-N 1 0 335.404 2.914 10 5 EFBERO C[C@H](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+]1CCCCC1 ZINC000302134028 311179574 /nfs/dbraw/zinc/17/95/74/311179574.db2.gz HISCCRLATPZETC-GFCCVEGCSA-N 1 0 348.403 2.602 10 5 EFBERO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000302169599 311182110 /nfs/dbraw/zinc/18/21/10/311182110.db2.gz TYZSWDVBPSKOGP-RISCZKNCSA-N 1 0 333.417 2.941 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741967 311198737 /nfs/dbraw/zinc/19/87/37/311198737.db2.gz DBCMEPDQRBLHHI-INIZCTEOSA-N 1 0 341.415 2.891 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330663212 311327682 /nfs/dbraw/zinc/32/76/82/311327682.db2.gz STOPUYSJJWXTGO-MNOVXSKESA-N 1 0 325.434 2.815 10 5 EFBERO COc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331075663 311352499 /nfs/dbraw/zinc/35/24/99/311352499.db2.gz VMCQIZSGOKXXGX-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](N)c1ccccc1 ZINC000414826329 312054974 /nfs/dbraw/zinc/05/49/74/312054974.db2.gz FMMOPTYJCXUMDA-GUYCJALGSA-N 1 0 342.399 2.602 10 5 EFBERO Cc1c(NC(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650636 312162295 /nfs/dbraw/zinc/16/22/95/312162295.db2.gz FXDNEINDEHKMKF-HTQZYQBOSA-N 1 0 345.197 2.523 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415769331 312170512 /nfs/dbraw/zinc/17/05/12/312170512.db2.gz WRXVZPGNZOXUEI-OKILXGFUSA-N 1 0 332.404 2.621 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)CCCC2 ZINC000417307850 312206339 /nfs/dbraw/zinc/20/63/39/312206339.db2.gz HMLWIVJGHHKUMZ-ZWKOTPCHSA-N 1 0 334.416 2.741 10 5 EFBERO O=C1CCCN1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332410 312210343 /nfs/dbraw/zinc/21/03/43/312210343.db2.gz XFJQZBWJZKQJAX-QGZVFWFLSA-N 1 0 331.416 2.964 10 5 EFBERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000417758209 312266636 /nfs/dbraw/zinc/26/66/36/312266636.db2.gz CERXCBJOFROXFX-CYBMUJFWSA-N 1 0 342.399 2.656 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417818188 312274773 /nfs/dbraw/zinc/27/47/73/312274773.db2.gz AQNDBILGRQCIAR-CJNGLKHVSA-N 1 0 342.399 2.963 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417845423 312280448 /nfs/dbraw/zinc/28/04/48/312280448.db2.gz IKGPEZWVCRXPGI-DOMZBBRYSA-N 1 0 332.404 2.500 10 5 EFBERO CCc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423956105 312488751 /nfs/dbraw/zinc/48/87/51/312488751.db2.gz AGWBCOOCXQGPKP-HOTGVXAUSA-N 1 0 331.416 2.761 10 5 EFBERO Cc1nn(C)c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000432940716 312587592 /nfs/dbraw/zinc/58/75/92/312587592.db2.gz WGCGQZMIWPFMKI-ZDUSSCGKSA-N 1 0 331.376 2.766 10 5 EFBERO COc1cc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000438334095 312612326 /nfs/dbraw/zinc/61/23/26/312612326.db2.gz JXKCKUSBQLVGAM-KRWDZBQOSA-N 1 0 338.404 2.730 10 5 EFBERO Cc1c(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438990210 312629429 /nfs/dbraw/zinc/62/94/29/312629429.db2.gz XIXPNQJZGSBCOD-ZIAGYGMSSA-N 1 0 333.432 2.825 10 5 EFBERO Cc1c(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438990208 312629810 /nfs/dbraw/zinc/62/98/10/312629810.db2.gz XIXPNQJZGSBCOD-KBPBESRZSA-N 1 0 333.432 2.825 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239369 312884175 /nfs/dbraw/zinc/88/41/75/312884175.db2.gz UCSKRAWVGRGRFJ-GXTWGEPZSA-N 1 0 346.408 2.817 10 5 EFBERO CNC(=O)C[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453389699 312897204 /nfs/dbraw/zinc/89/72/04/312897204.db2.gz XMEOQEKCAKAZCT-UGSOOPFHSA-N 1 0 327.384 2.798 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](CC2CC2)CC1 ZINC000488106236 313458119 /nfs/dbraw/zinc/45/81/19/313458119.db2.gz DQEYTNDZMYGBOM-UHFFFAOYSA-N 1 0 326.400 2.851 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494644977 314618717 /nfs/dbraw/zinc/61/87/17/314618717.db2.gz BHPTXILLBIVUIS-AWEZNQCLSA-N 1 0 349.412 2.535 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)c2ccccc2CC[NH3+])cc1[N+](=O)[O-] ZINC000517243307 315750303 /nfs/dbraw/zinc/75/03/03/315750303.db2.gz GZEOMGRKPVWVTR-CYBMUJFWSA-N 1 0 327.384 2.895 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337634 316154493 /nfs/dbraw/zinc/15/44/93/316154493.db2.gz KCYQBKSISJCDQW-OKILXGFUSA-N 1 0 334.420 2.657 10 5 EFBERO C[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000524590381 316161820 /nfs/dbraw/zinc/16/18/20/316161820.db2.gz GALLMDPYZLNOOA-UHFFFAOYSA-N 1 0 334.420 2.659 10 5 EFBERO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000526952014 316310268 /nfs/dbraw/zinc/31/02/68/316310268.db2.gz OGCODPFNUCTWRJ-CXAGYDPISA-N 1 0 342.399 2.719 10 5 EFBERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633741 317293956 /nfs/dbraw/zinc/29/39/56/317293956.db2.gz IXIAWFBNWXEAMG-KRWDZBQOSA-N 1 0 340.383 2.557 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCN(C)c1cc[nH+]cc1 ZINC000553063725 318269956 /nfs/dbraw/zinc/26/99/56/318269956.db2.gz LVWIQHZPBKBCSW-UHFFFAOYSA-N 1 0 342.399 2.517 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000558716452 318489098 /nfs/dbraw/zinc/48/90/98/318489098.db2.gz MKQBGDRNKAYVJJ-ZDUSSCGKSA-N 1 0 337.807 2.867 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(CO)c(F)c2)n1 ZINC000564705552 318882839 /nfs/dbraw/zinc/88/28/39/318882839.db2.gz GNJRTJFOKXUVTL-HZPDHXFCSA-N 1 0 348.378 2.696 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565895595 319013085 /nfs/dbraw/zinc/01/30/85/319013085.db2.gz VJVLJDSEXUCUNZ-KRWDZBQOSA-N 1 0 325.368 2.602 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566478384 319082292 /nfs/dbraw/zinc/08/22/92/319082292.db2.gz FWXIQRCOXQTQTM-CYBMUJFWSA-N 1 0 335.404 2.516 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566478388 319082388 /nfs/dbraw/zinc/08/23/88/319082388.db2.gz FWXIQRCOXQTQTM-ZDUSSCGKSA-N 1 0 335.404 2.516 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000566719829 319104151 /nfs/dbraw/zinc/10/41/51/319104151.db2.gz GXWDBNIMZIQXEL-WMLDXEAASA-N 1 0 330.384 2.994 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000567690508 319198471 /nfs/dbraw/zinc/19/84/71/319198471.db2.gz CQXRATWNZKOZSI-NJAFHUGGSA-N 1 0 334.416 2.893 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000571622396 319591295 /nfs/dbraw/zinc/59/12/95/319591295.db2.gz BZPUOCQIOKSESB-BLLLJJGKSA-N 1 0 331.416 2.892 10 5 EFBERO CN(C)c1ccncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573598585 319781505 /nfs/dbraw/zinc/78/15/05/319781505.db2.gz YAPWMFOGXDXISF-UHFFFAOYSA-N 1 0 339.399 2.869 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574294332 319850232 /nfs/dbraw/zinc/85/02/32/319850232.db2.gz UONHYCDSATZRQM-KRWDZBQOSA-N 1 0 348.403 2.601 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576758995 320045883 /nfs/dbraw/zinc/04/58/83/320045883.db2.gz NTQZAFVTSNEALY-FZMZJTMJSA-N 1 0 334.376 2.532 10 5 EFBERO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(C)c1O ZINC000576778760 320048107 /nfs/dbraw/zinc/04/81/07/320048107.db2.gz QBKDNMOODKDLRP-UHFFFAOYSA-N 1 0 342.399 2.634 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182021939 323260401 /nfs/dbraw/zinc/26/04/01/323260401.db2.gz KIMNMTOSIMISAY-UHFFFAOYSA-N 1 0 348.428 2.742 10 5 EFBERO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185003414 323379996 /nfs/dbraw/zinc/37/99/96/323379996.db2.gz USIROKGOBDTJSC-OLZOCXBDSA-N 1 0 337.395 2.828 10 5 EFBERO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000578981423 323855007 /nfs/dbraw/zinc/85/50/07/323855007.db2.gz COVYKBPCRPKCSZ-LLVKDONJSA-N 1 0 336.310 2.513 10 5 EFBERO COCC1(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000579712072 324018111 /nfs/dbraw/zinc/01/81/11/324018111.db2.gz OCFIFBDTSQRGBT-CYBMUJFWSA-N 1 0 335.404 2.718 10 5 EFBERO COC(=O)C1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000580916664 324266279 /nfs/dbraw/zinc/26/62/79/324266279.db2.gz YNRBREYLVKTNFC-UHFFFAOYSA-N 1 0 345.399 2.940 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000581373041 324363822 /nfs/dbraw/zinc/36/38/22/324363822.db2.gz HXNDGFXHGRSIDE-FZMZJTMJSA-N 1 0 334.376 2.532 10 5 EFBERO CC1CC[NH+](C[C@@H](O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000095438777 473205432 /nfs/dbraw/zinc/20/54/32/473205432.db2.gz QTSMGOIULUJKOU-GOSISDBHSA-N 1 0 344.415 2.551 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000161179891 473215350 /nfs/dbraw/zinc/21/53/50/473215350.db2.gz BNTVPERQSROUCE-YOEHRIQHSA-N 1 0 348.447 2.632 10 5 EFBERO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000161296323 473224684 /nfs/dbraw/zinc/22/46/84/473224684.db2.gz OZXQGNIVYHWZMF-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO CN1CC[N@H+](C)Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000095986347 473244134 /nfs/dbraw/zinc/24/41/34/473244134.db2.gz VHVBHHYZNXNJAR-UHFFFAOYSA-N 1 0 340.383 2.729 10 5 EFBERO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185026007 473304422 /nfs/dbraw/zinc/30/44/22/473304422.db2.gz DUOMHRGTQIVOBM-CYBMUJFWSA-N 1 0 349.406 2.924 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124798763 473304689 /nfs/dbraw/zinc/30/46/89/473304689.db2.gz WEGMLUOAXJLKSF-TZMCWYRMSA-N 1 0 337.445 2.628 10 5 EFBERO C[NH+](C)CC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000185083152 473322857 /nfs/dbraw/zinc/32/28/57/473322857.db2.gz QMHWYHHUDTXURY-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1Cc1ccccc1 ZINC000162337924 473327372 /nfs/dbraw/zinc/32/73/72/473327372.db2.gz RQFZVUWDAVTPRL-SFHVURJKSA-N 1 0 343.383 2.972 10 5 EFBERO Cc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000112919182 473332065 /nfs/dbraw/zinc/33/20/65/473332065.db2.gz VLYXNGJDKFJQHC-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CN1 ZINC000125063604 473350497 /nfs/dbraw/zinc/35/04/97/473350497.db2.gz QUIDNZWDJJRDNF-IAQYHMDHSA-N 1 0 337.807 2.739 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000113367254 473388587 /nfs/dbraw/zinc/38/85/87/473388587.db2.gz LUEOEPHBISKJQC-ZYHUDNBSSA-N 1 0 338.795 2.949 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000619798898 479886442 /nfs/dbraw/zinc/88/64/42/479886442.db2.gz JFZZPNZISNLMEZ-WBMXOGIWSA-N 1 0 346.427 2.765 10 5 EFBERO CN1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000424186075 477321605 /nfs/dbraw/zinc/32/16/05/477321605.db2.gz HHLVNRQBZVFPMF-ZDUSSCGKSA-N 1 0 343.383 2.813 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619867567 479898752 /nfs/dbraw/zinc/89/87/52/479898752.db2.gz WHUZYUIKRQPETN-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000619902840 479917089 /nfs/dbraw/zinc/91/70/89/479917089.db2.gz PPRZXGRAWOFHQY-CQSZACIVSA-N 1 0 349.434 2.895 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603055 471553833 /nfs/dbraw/zinc/55/38/33/471553833.db2.gz XFEQPLYOXMIRKI-BLLLJJGKSA-N 1 0 334.347 2.824 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000041911689 472094793 /nfs/dbraw/zinc/09/47/93/472094793.db2.gz WZTTVICJIHHXHD-CQSZACIVSA-N 1 0 348.447 2.655 10 5 EFBERO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055024408 472132204 /nfs/dbraw/zinc/13/22/04/472132204.db2.gz PCXXOOJRTRPMCJ-QGZVFWFLSA-N 1 0 348.374 2.648 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800526 472247226 /nfs/dbraw/zinc/24/72/26/472247226.db2.gz GLCJNEAQZDASBZ-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO C[N@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068899639 472262051 /nfs/dbraw/zinc/26/20/51/472262051.db2.gz UJEDMXSHCAFNQP-UHFFFAOYSA-N 1 0 349.431 2.744 10 5 EFBERO COc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068906107 472262941 /nfs/dbraw/zinc/26/29/41/472262941.db2.gz TVPFXSKRTHJTBK-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO O=C1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000076759023 472399863 /nfs/dbraw/zinc/39/98/63/472399863.db2.gz ZLESJVTWKKKMPZ-NSHDSACASA-N 1 0 331.397 2.692 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Cl)c1 ZINC000097033147 472414043 /nfs/dbraw/zinc/41/40/43/472414043.db2.gz YFMBXMFTGKYAFV-SNVBAGLBSA-N 1 0 339.754 2.900 10 5 EFBERO [NH3+]CCC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000070984231 472531902 /nfs/dbraw/zinc/53/19/02/472531902.db2.gz TUCDFZOFYAUKPM-UHFFFAOYSA-N 1 0 328.210 2.923 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925933 472547964 /nfs/dbraw/zinc/54/79/64/472547964.db2.gz VTCDSERGGCPBBK-SUMWQHHRSA-N 1 0 344.415 2.835 10 5 EFBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000130195319 472589463 /nfs/dbraw/zinc/58/94/63/472589463.db2.gz WVRXZSJCJLXJCL-GFCCVEGCSA-N 1 0 330.388 2.538 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155677124 472593553 /nfs/dbraw/zinc/59/35/53/472593553.db2.gz KSSNUYPTNQRDDY-LRDDRELGSA-N 1 0 346.431 2.628 10 5 EFBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@H](C)C1 ZINC000119883819 472596548 /nfs/dbraw/zinc/59/65/48/472596548.db2.gz DTALBEBTDQRBBH-STQMWFEESA-N 1 0 344.415 2.926 10 5 EFBERO CC1CC[NH+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000119884309 472597547 /nfs/dbraw/zinc/59/75/47/472597547.db2.gz PENVYGNFWRWUOT-UHFFFAOYSA-N 1 0 330.388 2.538 10 5 EFBERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224247 472609726 /nfs/dbraw/zinc/60/97/26/472609726.db2.gz MVAKXBFODJFOOC-CVEARBPZSA-N 1 0 341.415 2.941 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000090538833 472631705 /nfs/dbraw/zinc/63/17/05/472631705.db2.gz WSRGSMCKJNWORM-AWEZNQCLSA-N 1 0 336.779 2.948 10 5 EFBERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538530 472632018 /nfs/dbraw/zinc/63/20/18/472632018.db2.gz LHOXKWSZZUSKSR-ZDUSSCGKSA-N 1 0 340.387 2.636 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000120124239 472634588 /nfs/dbraw/zinc/63/45/88/472634588.db2.gz PNOVWFSWHXRHML-AWEZNQCLSA-N 1 0 332.404 2.914 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046991594 472637103 /nfs/dbraw/zinc/63/71/03/472637103.db2.gz YPTVQWICLFGSNV-CYBMUJFWSA-N 1 0 334.420 2.540 10 5 EFBERO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000072510452 472669303 /nfs/dbraw/zinc/66/93/03/472669303.db2.gz SYLXUEJKEYYWLK-CQSZACIVSA-N 1 0 348.447 2.513 10 5 EFBERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000072716338 472705489 /nfs/dbraw/zinc/70/54/89/472705489.db2.gz ZDLBVQSBLGXSCW-HNNXBMFYSA-N 1 0 347.415 2.957 10 5 EFBERO CC[NH+](CC)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000047694384 472757625 /nfs/dbraw/zinc/75/76/25/472757625.db2.gz XEMWPLFGDJGLDO-UHFFFAOYSA-N 1 0 345.403 2.694 10 5 EFBERO CCc1nn(C)c(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000091482513 472771873 /nfs/dbraw/zinc/77/18/73/472771873.db2.gz YSDOYHXCQJAYSG-CQSZACIVSA-N 1 0 335.452 2.736 10 5 EFBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000078870247 472780462 /nfs/dbraw/zinc/78/04/62/472780462.db2.gz LZMLDTKOCNKTJF-QWRGUYRKSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000078870245 472780972 /nfs/dbraw/zinc/78/09/72/472780972.db2.gz LZMLDTKOCNKTJF-MNOVXSKESA-N 1 0 325.796 2.803 10 5 EFBERO Cn1ccnc1CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105876672 472794583 /nfs/dbraw/zinc/79/45/83/472794583.db2.gz HFTTYAVKVVRCBH-UHFFFAOYSA-N 1 0 344.415 2.662 10 5 EFBERO Cc1cnn([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106221235 472833719 /nfs/dbraw/zinc/83/37/19/472833719.db2.gz SBMMNMALNSSZRJ-INIZCTEOSA-N 1 0 330.388 2.816 10 5 EFBERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106221232 472834638 /nfs/dbraw/zinc/83/46/38/472834638.db2.gz SBMMNMALNSSZRJ-MRXNPFEDSA-N 1 0 330.388 2.816 10 5 EFBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000157821606 472863238 /nfs/dbraw/zinc/86/32/38/472863238.db2.gz QEYYBVKEKWAEHR-YGRLFVJLSA-N 1 0 342.237 2.739 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000121841299 472928173 /nfs/dbraw/zinc/92/81/73/472928173.db2.gz FOMZRPVFUXFQFC-HNNXBMFYSA-N 1 0 335.404 2.733 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134685515 472952770 /nfs/dbraw/zinc/95/27/70/472952770.db2.gz OJFUDLBLAQQPEY-CYBMUJFWSA-N 1 0 327.812 2.954 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000134785239 472967247 /nfs/dbraw/zinc/96/72/47/472967247.db2.gz NYVLLTPFBIHWKM-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO CC[NH+](CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)CC(C)C ZINC000122460631 473016295 /nfs/dbraw/zinc/01/62/95/473016295.db2.gz OTBHUXVZAWYTEF-CYBMUJFWSA-N 1 0 334.424 2.806 10 5 EFBERO O=C1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1 ZINC000093101526 473042881 /nfs/dbraw/zinc/04/28/81/473042881.db2.gz SFKJFNMKMWKNDE-UHFFFAOYSA-N 1 0 331.397 2.645 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150026 473052640 /nfs/dbraw/zinc/05/26/40/473052640.db2.gz NFUDLLMOLAGTNZ-QPJJXVBHSA-N 1 0 339.399 2.610 10 5 EFBERO Cc1ccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000080635274 473060757 /nfs/dbraw/zinc/06/07/57/473060757.db2.gz VAJGDCJZNFRZKR-MRXNPFEDSA-N 1 0 332.448 2.510 10 5 EFBERO CC(C)[N@H+](CCc1nccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000159825641 473065027 /nfs/dbraw/zinc/06/50/27/473065027.db2.gz LIIBRYMDBJZDDH-UHFFFAOYSA-N 1 0 348.428 2.603 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123118466 473099371 /nfs/dbraw/zinc/09/93/71/473099371.db2.gz FTSYRLGCEOWADK-DOMZBBRYSA-N 1 0 346.431 2.724 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000160544667 473139700 /nfs/dbraw/zinc/13/97/00/473139700.db2.gz GVIIFKBRJPJOGA-OKILXGFUSA-N 1 0 331.416 2.859 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000137101731 473193948 /nfs/dbraw/zinc/19/39/48/473193948.db2.gz VZXFLALPCRZKTB-NSHDSACASA-N 1 0 327.812 2.954 10 5 EFBERO CCc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000095403811 473198246 /nfs/dbraw/zinc/19/82/46/473198246.db2.gz SDSTWVOFIPWWSY-CYBMUJFWSA-N 1 0 334.420 2.963 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000185335233 473397762 /nfs/dbraw/zinc/39/77/62/473397762.db2.gz WHWQZIFLRFZNLV-HNNXBMFYSA-N 1 0 337.420 2.571 10 5 EFBERO Cc1sc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185423599 473422537 /nfs/dbraw/zinc/42/25/37/473422537.db2.gz MOHMDTQTLQJIOB-LLVKDONJSA-N 1 0 325.434 2.959 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222467 473476424 /nfs/dbraw/zinc/47/64/24/473476424.db2.gz TZGWFMHOYKTARK-DZGCQCFKSA-N 1 0 327.388 2.704 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655883 473480698 /nfs/dbraw/zinc/48/06/98/473480698.db2.gz RTBQDDHUYBIOBR-CHWSQXEVSA-N 1 0 326.418 2.720 10 5 EFBERO CCn1cnnc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562983 473481427 /nfs/dbraw/zinc/48/14/27/473481427.db2.gz KJTOGFXCNHFEDF-UHFFFAOYSA-N 1 0 329.404 2.628 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000152404574 473557987 /nfs/dbraw/zinc/55/79/87/473557987.db2.gz HDVQXQLNMGYCQV-CQSZACIVSA-N 1 0 327.388 2.901 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000115415611 473564515 /nfs/dbraw/zinc/56/45/15/473564515.db2.gz ZXGYCKDPTOJBQS-UHFFFAOYSA-N 1 0 345.374 2.654 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152628956 473583645 /nfs/dbraw/zinc/58/36/45/473583645.db2.gz WPOWARNVOKUWTQ-CYBMUJFWSA-N 1 0 335.404 2.657 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000127435917 473613359 /nfs/dbraw/zinc/61/33/59/473613359.db2.gz OQIFNRNGKCMSLB-LBPRGKRZSA-N 1 0 345.321 2.828 10 5 EFBERO CC(C)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000127646373 473637445 /nfs/dbraw/zinc/63/74/45/473637445.db2.gz DVECOGLZOIHHLR-UHFFFAOYSA-N 1 0 346.431 2.708 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153727515 473639396 /nfs/dbraw/zinc/63/93/96/473639396.db2.gz NYSBRRFAVIDYER-HUUCEWRRSA-N 1 0 332.404 2.994 10 5 EFBERO CC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000153802644 473643355 /nfs/dbraw/zinc/64/33/55/473643355.db2.gz FYXAJZKABDIOLF-TZMCWYRMSA-N 1 0 341.839 2.525 10 5 EFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([NH+](C)C)CC1 ZINC000127913400 473662671 /nfs/dbraw/zinc/66/26/71/473662671.db2.gz ALHAHZCVVWVOQH-LBPRGKRZSA-N 1 0 345.403 2.732 10 5 EFBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186553091 473689345 /nfs/dbraw/zinc/68/93/45/473689345.db2.gz MIOZABAMBZPPLK-CQSZACIVSA-N 1 0 344.415 2.526 10 5 EFBERO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000172866381 473695216 /nfs/dbraw/zinc/69/52/16/473695216.db2.gz LMZZURHKYVZTQV-VXGBXAGGSA-N 1 0 349.412 2.654 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245436912 473699445 /nfs/dbraw/zinc/69/94/45/473699445.db2.gz VVYHOZTVBZWXTM-KGLIPLIRSA-N 1 0 332.404 2.994 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810226 473729696 /nfs/dbraw/zinc/72/96/96/473729696.db2.gz YBOIYMWIXVPBHL-DZGCQCFKSA-N 1 0 327.388 2.704 10 5 EFBERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281479500 473734613 /nfs/dbraw/zinc/73/46/13/473734613.db2.gz SFNUTDOUYZBJEL-SJORKVTESA-N 1 0 330.388 2.589 10 5 EFBERO CCOc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000173055143 473736133 /nfs/dbraw/zinc/73/61/33/473736133.db2.gz IEWHUALZXYJCDV-GFCCVEGCSA-N 1 0 337.420 2.700 10 5 EFBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281495146 473739857 /nfs/dbraw/zinc/73/98/57/473739857.db2.gz UBPZKKHIEYDGRP-QWQQUQAHSA-N 1 0 348.443 2.890 10 5 EFBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000281495140 473740379 /nfs/dbraw/zinc/74/03/79/473740379.db2.gz UBPZKKHIEYDGRP-HWDJUHOGSA-N 1 0 348.443 2.890 10 5 EFBERO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000287720934 473743321 /nfs/dbraw/zinc/74/33/21/473743321.db2.gz FIJQLXBFAUAHJK-PWSUYJOCSA-N 1 0 344.400 2.884 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984044 473756560 /nfs/dbraw/zinc/75/65/60/473756560.db2.gz HUHIMDVDZKNTAN-BBRMVZONSA-N 1 0 341.415 2.731 10 5 EFBERO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000193218117 473775174 /nfs/dbraw/zinc/77/51/74/473775174.db2.gz LBMSKIWVQALVTM-LLVKDONJSA-N 1 0 331.397 2.896 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000246283048 473815251 /nfs/dbraw/zinc/81/52/51/473815251.db2.gz NWEOYSZXZJXPEG-HIFRSBDPSA-N 1 0 333.413 2.964 10 5 EFBERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363768 473840956 /nfs/dbraw/zinc/84/09/56/473840956.db2.gz XQQGMZHNAXQTKC-IAGOWNOFSA-N 1 0 344.415 2.724 10 5 EFBERO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173464916 473846192 /nfs/dbraw/zinc/84/61/92/473846192.db2.gz HBMCNYGUZXICCH-XJKSGUPXSA-N 1 0 333.432 2.960 10 5 EFBERO CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000173493127 473854372 /nfs/dbraw/zinc/85/43/72/473854372.db2.gz CZNLMPIOFVVRMS-JKSUJKDBSA-N 1 0 331.416 2.856 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)C[C@H]1C ZINC000246416794 473857973 /nfs/dbraw/zinc/85/79/73/473857973.db2.gz HPTGDMVZNOSYAD-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO COc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000264359697 473962856 /nfs/dbraw/zinc/96/28/56/473962856.db2.gz RVHVPSMTRQXFCW-ZDUSSCGKSA-N 1 0 329.356 2.871 10 5 EFBERO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174025479 473975471 /nfs/dbraw/zinc/97/54/71/473975471.db2.gz ADUGIFFQKIEMPH-GFCCVEGCSA-N 1 0 325.434 2.997 10 5 EFBERO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868487 473978898 /nfs/dbraw/zinc/97/88/98/473978898.db2.gz RHVFNQADZSSCDX-LRDDRELGSA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188120140 473991139 /nfs/dbraw/zinc/99/11/39/473991139.db2.gz ALUVSZWVJXFBQY-YOEHRIQHSA-N 1 0 348.424 2.743 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174164798 473997537 /nfs/dbraw/zinc/99/75/37/473997537.db2.gz SPBKPGKIJFXBFG-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264465850 474002782 /nfs/dbraw/zinc/00/27/82/474002782.db2.gz FMZSFOCSWCFHBN-AWEZNQCLSA-N 1 0 342.399 2.777 10 5 EFBERO CC[C@@H]([NH2+]CC(=O)Nc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000181531225 474045651 /nfs/dbraw/zinc/04/56/51/474045651.db2.gz ABJWIJZVXXVOJN-CQSZACIVSA-N 1 0 331.376 2.614 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247042021 474045731 /nfs/dbraw/zinc/04/57/31/474045731.db2.gz OACJUTGXBPTWQA-ZBFHGGJFSA-N 1 0 332.356 2.765 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247337288 474122734 /nfs/dbraw/zinc/12/27/34/474122734.db2.gz JAQVMDFJLWNPFI-JSGCOSHPSA-N 1 0 335.404 2.548 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)cc1C(F)(F)F ZINC000175013440 474131178 /nfs/dbraw/zinc/13/11/78/474131178.db2.gz VAGZRMLQWFLTMR-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282682720 474154381 /nfs/dbraw/zinc/15/43/81/474154381.db2.gz KNRWTFRLKMVDPN-NVXWUHKLSA-N 1 0 334.416 2.561 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017039 474164488 /nfs/dbraw/zinc/16/44/88/474164488.db2.gz XULFHWKFMQCHCR-RISCZKNCSA-N 1 0 329.356 2.650 10 5 EFBERO COc1ccc(OCCN2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000247514102 474169439 /nfs/dbraw/zinc/16/94/39/474169439.db2.gz MTPBMZNTMJQUOB-GDBMZVCRSA-N 1 0 336.388 2.626 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275402928 474172845 /nfs/dbraw/zinc/17/28/45/474172845.db2.gz BNGUYDRMICIJAI-AWEZNQCLSA-N 1 0 335.407 2.918 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000247538093 474175244 /nfs/dbraw/zinc/17/52/44/474175244.db2.gz XVBCXFBVPKDCOD-CMPLNLGQSA-N 1 0 325.434 2.767 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247945473 474228864 /nfs/dbraw/zinc/22/88/64/474228864.db2.gz DMCSRXRTLAVSOK-YJBOKZPZSA-N 1 0 348.399 2.588 10 5 EFBERO C[NH2+]C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234411002 474267832 /nfs/dbraw/zinc/26/78/32/474267832.db2.gz MSLPRPTYILJDHO-JTQLQIEISA-N 1 0 328.210 2.711 10 5 EFBERO C[NH2+]C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234410997 474267904 /nfs/dbraw/zinc/26/79/04/474267904.db2.gz MSLPRPTYILJDHO-SNVBAGLBSA-N 1 0 328.210 2.711 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275842697 474336628 /nfs/dbraw/zinc/33/66/28/474336628.db2.gz HEJDSYBVCZHPFM-CHWSQXEVSA-N 1 0 337.807 2.913 10 5 EFBERO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[C@H](O)CC1 ZINC000275845728 474338451 /nfs/dbraw/zinc/33/84/51/474338451.db2.gz KLMGAXHPENGXDT-KOMQPUFPSA-N 1 0 331.372 2.985 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175953458 474347184 /nfs/dbraw/zinc/34/71/84/474347184.db2.gz QUHVYDULXAFACE-DZGCQCFKSA-N 1 0 334.420 2.748 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000248573644 474363449 /nfs/dbraw/zinc/36/34/49/474363449.db2.gz NYSBRRFAVIDYER-GJZGRUSLSA-N 1 0 332.404 2.994 10 5 EFBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000189346361 474367764 /nfs/dbraw/zinc/36/77/64/474367764.db2.gz DPIXRZKRUUTVAJ-BLLLJJGKSA-N 1 0 335.404 2.589 10 5 EFBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000275950565 474369448 /nfs/dbraw/zinc/36/94/48/474369448.db2.gz JHQCZTLLDVJYOP-AULYBMBSSA-N 1 0 330.331 2.932 10 5 EFBERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248599917 474373268 /nfs/dbraw/zinc/37/32/68/474373268.db2.gz USIROKGOBDTJSC-QWHCGFSZSA-N 1 0 337.395 2.828 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000265942503 474395961 /nfs/dbraw/zinc/39/59/61/474395961.db2.gz IFTFJNGYYRAHQC-YPMHNXCESA-N 1 0 331.372 2.896 10 5 EFBERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176197316 474406630 /nfs/dbraw/zinc/40/66/30/474406630.db2.gz RNQNKSMPLRKMBQ-OAHLLOKOSA-N 1 0 346.387 2.646 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000266866087 474508687 /nfs/dbraw/zinc/50/86/87/474508687.db2.gz MEGSUHMVKZEMDM-JSGCOSHPSA-N 1 0 334.347 2.824 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276398725 474526526 /nfs/dbraw/zinc/52/65/26/474526526.db2.gz NRVONISBIOVQNA-UHFFFAOYSA-N 1 0 341.411 2.937 10 5 EFBERO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000276487229 474562385 /nfs/dbraw/zinc/56/23/85/474562385.db2.gz RSNPZIDEPMJNDX-UHFFFAOYSA-N 1 0 325.434 2.913 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000184763999 474603005 /nfs/dbraw/zinc/60/30/05/474603005.db2.gz RAMCVHHZOMEUCF-CVEARBPZSA-N 1 0 333.432 2.764 10 5 EFBERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249684154 474603925 /nfs/dbraw/zinc/60/39/25/474603925.db2.gz CWXCNFMGEFDQFZ-UONOGXRCSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000249723434 474606959 /nfs/dbraw/zinc/60/69/59/474606959.db2.gz DTALBEBTDQRBBH-CHWSQXEVSA-N 1 0 344.415 2.926 10 5 EFBERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279101 474609139 /nfs/dbraw/zinc/60/91/39/474609139.db2.gz JSJPCFMYECZKGF-KBRIMQKVSA-N 1 0 336.432 2.720 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278521871 474679435 /nfs/dbraw/zinc/67/94/35/474679435.db2.gz CQWRCOLEGKIWOX-INIZCTEOSA-N 1 0 343.387 2.792 10 5 EFBERO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340818811 474688521 /nfs/dbraw/zinc/68/85/21/474688521.db2.gz NPYXMLYLCPLESJ-KRWDZBQOSA-N 1 0 342.399 2.918 10 5 EFBERO COc1ccc(C[N@H+](C)[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000252512621 474690572 /nfs/dbraw/zinc/69/05/72/474690572.db2.gz TVOMOHXIRDWKOQ-SJLPKXTDSA-N 1 0 328.368 2.694 10 5 EFBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000284618393 474692910 /nfs/dbraw/zinc/69/29/10/474692910.db2.gz SSASOYIYCSKJTO-ZIAGYGMSSA-N 1 0 345.321 2.523 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000278607585 474732904 /nfs/dbraw/zinc/73/29/04/474732904.db2.gz ZWAGQBPTSODBKT-PXAZEXFGSA-N 1 0 341.415 2.924 10 5 EFBERO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000267978732 474735554 /nfs/dbraw/zinc/73/55/54/474735554.db2.gz XHDASHZJRADCGZ-TXEJJXNPSA-N 1 0 342.827 2.945 10 5 EFBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291919618 474751748 /nfs/dbraw/zinc/75/17/48/474751748.db2.gz LQFJBHZWNYGJDO-VIFPVBQESA-N 1 0 332.187 2.726 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337177410 474760011 /nfs/dbraw/zinc/76/00/11/474760011.db2.gz OWJOTBUBHCLTKU-HUUCEWRRSA-N 1 0 347.415 2.672 10 5 EFBERO COc1cc(CN2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000338951064 474770646 /nfs/dbraw/zinc/77/06/46/474770646.db2.gz FXCBCECBTMAVMF-UHFFFAOYSA-N 1 0 334.294 2.996 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278730593 474800951 /nfs/dbraw/zinc/80/09/51/474800951.db2.gz LDWCRXYYWJRJOY-NWDGAFQWSA-N 1 0 348.321 2.609 10 5 EFBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284908514 474822051 /nfs/dbraw/zinc/82/20/51/474822051.db2.gz OYFYARBRDVKMDN-XJKSGUPXSA-N 1 0 344.419 2.527 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000293163511 474846287 /nfs/dbraw/zinc/84/62/87/474846287.db2.gz FVEYZFSZEKHJCU-JKSUJKDBSA-N 1 0 339.823 2.543 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292163553 474881424 /nfs/dbraw/zinc/88/14/24/474881424.db2.gz JIZMGLRJZBCBAG-GPZRYRNASA-N 1 0 329.400 2.552 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000273440847 474898816 /nfs/dbraw/zinc/89/88/16/474898816.db2.gz RCLJSCHLOGPEPR-RTGRKSDTSA-N 1 0 349.456 2.552 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000273446555 474902196 /nfs/dbraw/zinc/90/21/96/474902196.db2.gz AYHKHAJSWLSAJO-XTZCOPOCSA-N 1 0 329.400 2.765 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322112364 474935678 /nfs/dbraw/zinc/93/56/78/474935678.db2.gz PAPPTSBMRDHTNM-FZMZJTMJSA-N 1 0 337.807 2.852 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000273549960 474959295 /nfs/dbraw/zinc/95/92/95/474959295.db2.gz VBWKEDGSBQNJCC-BUHFOSPRSA-N 1 0 329.400 2.695 10 5 EFBERO C[N@H+]1C[C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C[C@H]2C1 ZINC000279203730 474964478 /nfs/dbraw/zinc/96/44/78/474964478.db2.gz MFWCPITWLPQPCR-OKILXGFUSA-N 1 0 347.418 2.727 10 5 EFBERO Cc1c(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000328240468 475026245 /nfs/dbraw/zinc/02/62/45/475026245.db2.gz BDROLTTWWJHVOS-CYBMUJFWSA-N 1 0 325.368 2.681 10 5 EFBERO COc1ccc(CN2C[C@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000328478684 475029623 /nfs/dbraw/zinc/02/96/23/475029623.db2.gz JOYAGJVQEPBYAF-AWEZNQCLSA-N 1 0 327.384 2.741 10 5 EFBERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000328494491 475029737 /nfs/dbraw/zinc/02/97/37/475029737.db2.gz PGCORQBDLAUXHN-CYBMUJFWSA-N 1 0 325.368 2.681 10 5 EFBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000281102501 475072214 /nfs/dbraw/zinc/07/22/14/475072214.db2.gz UBVQICXGPGYAGP-UKRRQHHQSA-N 1 0 341.367 2.944 10 5 EFBERO Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261820091 475074739 /nfs/dbraw/zinc/07/47/39/475074739.db2.gz XURIOPOZEQPWOE-UHFFFAOYSA-N 1 0 327.384 2.547 10 5 EFBERO C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552569 475136654 /nfs/dbraw/zinc/13/66/54/475136654.db2.gz HCLPDAWTRRDNSW-KBXCAEBGSA-N 1 0 339.395 2.874 10 5 EFBERO O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000347334969 475242228 /nfs/dbraw/zinc/24/22/28/475242228.db2.gz DTJNCRJWODMSSZ-QGZVFWFLSA-N 1 0 326.356 2.669 10 5 EFBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])o3)cccc21 ZINC000345533545 475247471 /nfs/dbraw/zinc/24/74/71/475247471.db2.gz FDPPIPVGHBKISU-LBPRGKRZSA-N 1 0 331.328 2.825 10 5 EFBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])o3)cccc21 ZINC000345533544 475247505 /nfs/dbraw/zinc/24/75/05/475247505.db2.gz FDPPIPVGHBKISU-GFCCVEGCSA-N 1 0 331.328 2.825 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000345550620 475258706 /nfs/dbraw/zinc/25/87/06/475258706.db2.gz WWOCSWVYZOONEH-ZDUSSCGKSA-N 1 0 337.420 2.844 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000361201137 475265403 /nfs/dbraw/zinc/26/54/03/475265403.db2.gz NHJPENXUCDIYJK-DOTOQJQBSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000296377508 475289698 /nfs/dbraw/zinc/28/96/98/475289698.db2.gz KHTLXDZFLDIMRE-LBPRGKRZSA-N 1 0 334.397 2.849 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000347416636 475310386 /nfs/dbraw/zinc/31/03/86/475310386.db2.gz CMLIMEBPJYOBDC-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358126314 475421815 /nfs/dbraw/zinc/42/18/15/475421815.db2.gz GMAYWVLAGDBGPQ-CQSZACIVSA-N 1 0 349.406 2.707 10 5 EFBERO Cc1ccncc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361410089 475426550 /nfs/dbraw/zinc/42/65/50/475426550.db2.gz JWVJBIFABGVPJS-UHFFFAOYSA-N 1 0 328.372 2.759 10 5 EFBERO NC(=O)C1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000358177919 475463528 /nfs/dbraw/zinc/46/35/28/475463528.db2.gz PLEWJFDBBYOFFG-BCLQGDPASA-N 1 0 331.416 2.550 10 5 EFBERO O=C(CC[N@@H+]1CCOC[C@@H]1CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000339775379 475490467 /nfs/dbraw/zinc/49/04/67/475490467.db2.gz DRJPOWBEJWCLIH-HNNXBMFYSA-N 1 0 347.415 2.814 10 5 EFBERO COc1cc(C[N@@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000342040521 475526205 /nfs/dbraw/zinc/52/62/05/475526205.db2.gz XCAHSUAXDIXQFS-ZDUSSCGKSA-N 1 0 326.368 2.870 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000338045923 475541521 /nfs/dbraw/zinc/54/15/21/475541521.db2.gz GEJPASBZKLCOHQ-VNHYZAJKSA-N 1 0 333.432 2.999 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000358297099 475569278 /nfs/dbraw/zinc/56/92/78/475569278.db2.gz KRPANKZKRCBSOB-DMDKVIGKSA-N 1 0 328.434 2.801 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000361592036 475578699 /nfs/dbraw/zinc/57/86/99/475578699.db2.gz UYKCFROQNCSBIE-IBGZPJMESA-N 1 0 342.395 2.739 10 5 EFBERO CNC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000361640995 475620852 /nfs/dbraw/zinc/62/08/52/475620852.db2.gz WYQROFTZDIKXEZ-INIZCTEOSA-N 1 0 327.384 2.870 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCNc2cnccn2)c2ccccc2)c1 ZINC000352788512 475626035 /nfs/dbraw/zinc/62/60/35/475626035.db2.gz KMUDVVIBLUWRRY-IBGZPJMESA-N 1 0 349.394 2.598 10 5 EFBERO COC[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000358439903 475680385 /nfs/dbraw/zinc/68/03/85/475680385.db2.gz YKPNTASZUUUFHY-MSOLQXFVSA-N 1 0 330.384 2.935 10 5 EFBERO Cc1c(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358454533 475689796 /nfs/dbraw/zinc/68/97/96/475689796.db2.gz XCDGQPKKNAXTFK-OKILXGFUSA-N 1 0 348.447 2.965 10 5 EFBERO CC1(C)C[N@@H+](C2(CNc3ccncc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000343040813 475714851 /nfs/dbraw/zinc/71/48/51/475714851.db2.gz UEHVBWVKYOEJJA-UHFFFAOYSA-N 1 0 348.447 2.637 10 5 EFBERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457543 475764348 /nfs/dbraw/zinc/76/43/48/475764348.db2.gz CCBXPMSVNNMFJX-WWGRRREGSA-N 1 0 334.420 2.780 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)CCC2 ZINC000348643821 475798170 /nfs/dbraw/zinc/79/81/70/475798170.db2.gz OWLXYRRFPBEGBN-YJBOKZPZSA-N 1 0 327.384 2.733 10 5 EFBERO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297932954 475928293 /nfs/dbraw/zinc/92/82/93/475928293.db2.gz VDGSVBCLKAJBGF-NXEZZACHSA-N 1 0 345.321 2.778 10 5 EFBERO C[C@@]12CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1C2(F)F ZINC000298325569 476056419 /nfs/dbraw/zinc/05/64/19/476056419.db2.gz RCTUVTWBYJWPNM-DZGCQCFKSA-N 1 0 340.326 2.938 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358996392 476099709 /nfs/dbraw/zinc/09/97/09/476099709.db2.gz WXXRGYFZSFIODB-SNVBAGLBSA-N 1 0 345.346 2.656 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000362242490 476105371 /nfs/dbraw/zinc/10/53/71/476105371.db2.gz IDWUBRQOOIKJBM-CQSZACIVSA-N 1 0 349.431 2.797 10 5 EFBERO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359044575 476140774 /nfs/dbraw/zinc/14/07/74/476140774.db2.gz UEPLEXICRHRBME-JTQLQIEISA-N 1 0 345.346 2.656 10 5 EFBERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359044576 476140861 /nfs/dbraw/zinc/14/08/61/476140861.db2.gz UEPLEXICRHRBME-SNVBAGLBSA-N 1 0 345.346 2.656 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362312847 476162325 /nfs/dbraw/zinc/16/23/25/476162325.db2.gz BDCNQQHCAOAJIS-QWHCGFSZSA-N 1 0 338.379 2.991 10 5 EFBERO COc1ccccc1[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000357048279 476186988 /nfs/dbraw/zinc/18/69/88/476186988.db2.gz MQXPZHWBPHADIK-INIZCTEOSA-N 1 0 342.399 2.669 10 5 EFBERO CCOc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000357049736 476189579 /nfs/dbraw/zinc/18/95/79/476189579.db2.gz GFXYIFXUKBOBOJ-UHFFFAOYSA-N 1 0 349.431 2.989 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357077822 476211460 /nfs/dbraw/zinc/21/14/60/476211460.db2.gz XLHSPWZZNMCNTH-RDTXWAMCSA-N 1 0 347.415 2.814 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)o2)cc1 ZINC000362447384 476257518 /nfs/dbraw/zinc/25/75/18/476257518.db2.gz KQQUOHPUKCVXDX-UKRRQHHQSA-N 1 0 344.371 2.646 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362447009 476258018 /nfs/dbraw/zinc/25/80/18/476258018.db2.gz JVEBWDFQAHYREY-RHSMWYFYSA-N 1 0 347.415 2.733 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)o2)cc1 ZINC000362447386 476258064 /nfs/dbraw/zinc/25/80/64/476258064.db2.gz KQQUOHPUKCVXDX-ZFWWWQNUSA-N 1 0 344.371 2.646 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C1CCCCC1 ZINC000357174909 476277287 /nfs/dbraw/zinc/27/72/87/476277287.db2.gz QPSYXGLDDMVSGE-UHFFFAOYSA-N 1 0 334.420 2.631 10 5 EFBERO O=[N+]([O-])c1ccccc1NCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351068150 476329765 /nfs/dbraw/zinc/32/97/65/476329765.db2.gz AIYNNDIWOZAUMF-UHFFFAOYSA-N 1 0 336.311 2.905 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353956936 476335998 /nfs/dbraw/zinc/33/59/98/476335998.db2.gz MXNNLXNYYRFJJD-VXGBXAGGSA-N 1 0 326.418 2.520 10 5 EFBERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353956934 476336056 /nfs/dbraw/zinc/33/60/56/476336056.db2.gz MXNNLXNYYRFJJD-RYUDHWBXSA-N 1 0 326.418 2.520 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360772293 476377227 /nfs/dbraw/zinc/37/72/27/476377227.db2.gz LZSPJWYKWDTEEL-MRXNPFEDSA-N 1 0 327.384 2.870 10 5 EFBERO CC(C)n1c(Sc2ccncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000360910605 476471386 /nfs/dbraw/zinc/47/13/86/476471386.db2.gz WKRPYIVLCCWYAA-NSHDSACASA-N 1 0 348.432 2.780 10 5 EFBERO O=[N+]([O-])c1cnccc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000360912554 476471422 /nfs/dbraw/zinc/47/14/22/476471422.db2.gz BNSDUUOXUGUXNY-SNVBAGLBSA-N 1 0 346.416 2.534 10 5 EFBERO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000369749582 476507539 /nfs/dbraw/zinc/50/75/39/476507539.db2.gz JKWUOXSEMMCHQU-LLVKDONJSA-N 1 0 333.417 2.968 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354226441 476521437 /nfs/dbraw/zinc/52/14/37/476521437.db2.gz FCMIINUCLBXYQI-UHFFFAOYSA-N 1 0 328.372 2.655 10 5 EFBERO CC1(C2CC2)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000352188614 476536339 /nfs/dbraw/zinc/53/63/39/476536339.db2.gz GISIAENYXKSHJA-INIZCTEOSA-N 1 0 334.416 2.847 10 5 EFBERO COc1cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000357799796 476612917 /nfs/dbraw/zinc/61/29/17/476612917.db2.gz HUBMISCFUUSCQQ-UHFFFAOYSA-N 1 0 346.387 2.849 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374987965 476623337 /nfs/dbraw/zinc/62/33/37/476623337.db2.gz MTLBQSNSWKBTSE-BHIYHBOVSA-N 1 0 342.395 2.996 10 5 EFBERO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c2c(c1)COCO2 ZINC000378054262 476680305 /nfs/dbraw/zinc/68/03/05/476680305.db2.gz GIBOJGYYDKQIGB-UHFFFAOYSA-N 1 0 344.371 2.564 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451905842 476715438 /nfs/dbraw/zinc/71/54/38/476715438.db2.gz SLSQBQZLMYPDAO-KSSFIOAISA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375240010 476733789 /nfs/dbraw/zinc/73/37/89/476733789.db2.gz HFSNIROPFXUPCR-KBPBESRZSA-N 1 0 347.415 2.813 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430287683 476805524 /nfs/dbraw/zinc/80/55/24/476805524.db2.gz YQXKKISRGSYHPF-LBPRGKRZSA-N 1 0 333.388 2.830 10 5 EFBERO COC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452079663 476810588 /nfs/dbraw/zinc/81/05/88/476810588.db2.gz HYRNGNSWHCVBHX-CQSZACIVSA-N 1 0 335.404 2.590 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000446034076 476810783 /nfs/dbraw/zinc/81/07/83/476810783.db2.gz WFPJWMDQUZRYGU-UHFFFAOYSA-N 1 0 339.823 2.970 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446081657 476824468 /nfs/dbraw/zinc/82/44/68/476824468.db2.gz WESDADANFMYGLJ-MELADBBJSA-N 1 0 335.404 2.730 10 5 EFBERO CC1(C)CCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457070542 476857474 /nfs/dbraw/zinc/85/74/74/476857474.db2.gz GWHPCDFVTWYIDW-UHFFFAOYSA-N 1 0 330.388 2.680 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000446315385 476859652 /nfs/dbraw/zinc/85/96/52/476859652.db2.gz IZVYEMGTWLMREY-PWSUYJOCSA-N 1 0 325.796 2.769 10 5 EFBERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366127249 476873725 /nfs/dbraw/zinc/87/37/25/476873725.db2.gz PAZRNAQHVBFFJN-GJZGRUSLSA-N 1 0 346.431 2.716 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452342028 476923619 /nfs/dbraw/zinc/92/36/19/476923619.db2.gz LWWPAMFQSAZOSV-AWEZNQCLSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415434765 476926251 /nfs/dbraw/zinc/92/62/51/476926251.db2.gz HYIUDSONOSPLNC-GZMMTYOYSA-N 1 0 346.309 2.733 10 5 EFBERO CC(C)n1ccc(C[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446849119 476927062 /nfs/dbraw/zinc/92/70/62/476927062.db2.gz LWNYOFVFGYUAJH-LBPRGKRZSA-N 1 0 342.403 2.969 10 5 EFBERO Cc1c(NC(=O)NCC[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415660729 476950120 /nfs/dbraw/zinc/95/01/20/476950120.db2.gz PWTVFZBSKAXJPR-ZETCQYMHSA-N 1 0 345.197 2.525 10 5 EFBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026547 476936466 /nfs/dbraw/zinc/93/64/66/476936466.db2.gz YRRLMNGKEVYHGE-STQMWFEESA-N 1 0 342.399 2.775 10 5 EFBERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423162058 476948407 /nfs/dbraw/zinc/94/84/07/476948407.db2.gz KELQIKDUUBSCCF-MRXNPFEDSA-N 1 0 333.432 2.812 10 5 EFBERO O=C1[C@H]([NH2+][C@@H]2CC3CCC2CC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431077566 476973279 /nfs/dbraw/zinc/97/32/79/476973279.db2.gz PFLGSSUJSNXNBQ-DNDXXGFKSA-N 1 0 329.400 2.868 10 5 EFBERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415997665 476985030 /nfs/dbraw/zinc/98/50/30/476985030.db2.gz QEZNBHIZIXPFKS-UHFFFAOYSA-N 1 0 338.367 2.788 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2O)n1 ZINC000447528859 477004001 /nfs/dbraw/zinc/00/40/01/477004001.db2.gz KKJMOSXKVQNIRK-LSDHHAIUSA-N 1 0 330.388 2.813 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)c2ccccc2)n1 ZINC000447582195 477016820 /nfs/dbraw/zinc/01/68/20/477016820.db2.gz YMSIZTWLZCNGAU-IXDOHACOSA-N 1 0 344.415 2.641 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447680283 477034654 /nfs/dbraw/zinc/03/46/54/477034654.db2.gz QOHAOJJJYKDLSD-ZDUSSCGKSA-N 1 0 331.420 2.960 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@@H+]1C ZINC000447816148 477064686 /nfs/dbraw/zinc/06/46/86/477064686.db2.gz IZKOJGQCIXMWHZ-SECBINFHSA-N 1 0 327.768 2.541 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000371085040 477116809 /nfs/dbraw/zinc/11/68/09/477116809.db2.gz DEJQALDPWHKYRV-MRXNPFEDSA-N 1 0 327.384 2.880 10 5 EFBERO COc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000366775625 477180751 /nfs/dbraw/zinc/18/07/51/477180751.db2.gz SZBFGIZLYDLWNI-CYBMUJFWSA-N 1 0 337.395 2.911 10 5 EFBERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239371 477195795 /nfs/dbraw/zinc/19/57/95/477195795.db2.gz UCSKRAWVGRGRFJ-OCCSQVGLSA-N 1 0 346.408 2.817 10 5 EFBERO CCC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262208 477200952 /nfs/dbraw/zinc/20/09/52/477200952.db2.gz KMJJBGYIAIKKEV-ROUUACIJSA-N 1 0 335.448 2.872 10 5 EFBERO CCC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262206 477201463 /nfs/dbraw/zinc/20/14/63/477201463.db2.gz KMJJBGYIAIKKEV-MSOLQXFVSA-N 1 0 335.448 2.872 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423965313 477236698 /nfs/dbraw/zinc/23/66/98/477236698.db2.gz GAIGJOWEHHKYPP-IUODEOHRSA-N 1 0 343.383 2.945 10 5 EFBERO CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423968138 477238170 /nfs/dbraw/zinc/23/81/70/477238170.db2.gz HVSUKNLMVMFGBT-LSDHHAIUSA-N 1 0 347.415 2.598 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424051608 477274896 /nfs/dbraw/zinc/27/48/96/477274896.db2.gz KIOBOSHXRQOBAC-UHFFFAOYSA-N 1 0 343.305 2.582 10 5 EFBERO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CC23CC3)c1 ZINC000424185542 477320149 /nfs/dbraw/zinc/32/01/49/477320149.db2.gz PVUMRZNGKIXHGS-LLVKDONJSA-N 1 0 344.152 2.842 10 5 EFBERO O=C(CC[N@H+]1CCCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411690459 477329959 /nfs/dbraw/zinc/32/99/59/477329959.db2.gz ATRMXTGCTWGQPI-OAHLLOKOSA-N 1 0 335.404 2.550 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411848349 477391989 /nfs/dbraw/zinc/39/19/89/477391989.db2.gz NDVZTIHHHWTQDR-QGZVFWFLSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419009601 477492873 /nfs/dbraw/zinc/49/28/73/477492873.db2.gz WIPJZUNBGRUFAC-MNOVXSKESA-N 1 0 347.337 2.505 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000367514526 477552940 /nfs/dbraw/zinc/55/29/40/477552940.db2.gz SJBJCGLVORDGBP-UHFFFAOYSA-N 1 0 347.444 2.912 10 5 EFBERO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000449358622 477560184 /nfs/dbraw/zinc/56/01/84/477560184.db2.gz COPHICMAFMGOQF-WMZOPIPTSA-N 1 0 333.432 2.623 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359793 477560829 /nfs/dbraw/zinc/56/08/29/477560829.db2.gz RHLDINIDLSMSRN-AWEZNQCLSA-N 1 0 346.408 2.564 10 5 EFBERO C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000450228905 477584225 /nfs/dbraw/zinc/58/42/25/477584225.db2.gz VUHGBMNYAGICLM-QGZVFWFLSA-N 1 0 337.383 2.964 10 5 EFBERO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000455421044 477626358 /nfs/dbraw/zinc/62/63/58/477626358.db2.gz ULZXWYRVMCBILU-GFCCVEGCSA-N 1 0 334.420 2.966 10 5 EFBERO CCc1cc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000450573018 477638867 /nfs/dbraw/zinc/63/88/67/477638867.db2.gz VSPBEIUELZMTND-AWEZNQCLSA-N 1 0 345.403 2.659 10 5 EFBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372150191 477662800 /nfs/dbraw/zinc/66/28/00/477662800.db2.gz NIZHOWNXOMLXDV-OMWUSAIZSA-N 1 0 342.395 2.952 10 5 EFBERO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000377226938 477700996 /nfs/dbraw/zinc/70/09/96/477700996.db2.gz UAQCSVAIDWKCAZ-AWEZNQCLSA-N 1 0 332.404 2.517 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3ccco3)[NH+]3CCCC3)nc2c1 ZINC000427981156 477798895 /nfs/dbraw/zinc/79/88/95/477798895.db2.gz NPXZFQPUOLFEPW-OAHLLOKOSA-N 1 0 341.371 2.735 10 5 EFBERO C[NH+](C)CCCC(C)(C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456176506 477808266 /nfs/dbraw/zinc/80/82/66/477808266.db2.gz WFHBUKNZMYKWRW-UHFFFAOYSA-N 1 0 343.374 2.652 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438478871 477846379 /nfs/dbraw/zinc/84/63/79/477846379.db2.gz AGGWFJKFJAFNNM-STQMWFEESA-N 1 0 335.404 2.908 10 5 EFBERO CC(C)[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000438484628 477849038 /nfs/dbraw/zinc/84/90/38/477849038.db2.gz RPIZMFZSKIBGRR-CYBMUJFWSA-N 1 0 333.388 2.871 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438493271 477850889 /nfs/dbraw/zinc/85/08/89/477850889.db2.gz LIZUIBRGEDDSGJ-CYBMUJFWSA-N 1 0 335.404 2.910 10 5 EFBERO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000428388229 477883348 /nfs/dbraw/zinc/88/33/48/477883348.db2.gz VZGLHGOGTXSDIY-QGZVFWFLSA-N 1 0 344.367 2.820 10 5 EFBERO Cc1cc(N2CCC([NH2+]CC=Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000438910715 477903969 /nfs/dbraw/zinc/90/39/69/477903969.db2.gz CDHMRWGVUBOJKC-XQRVVYSFSA-N 1 0 341.415 2.898 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376136 477982209 /nfs/dbraw/zinc/98/22/09/477982209.db2.gz VJXAOBGEAGPBTI-DFHZNHDVSA-N 1 0 341.411 2.986 10 5 EFBERO CN(C(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451377871 477982723 /nfs/dbraw/zinc/98/27/23/477982723.db2.gz XMDYWORMNALWRQ-AHMDFLBRSA-N 1 0 341.411 2.702 10 5 EFBERO Cn1cc(C[NH+]2CC3(C2)CCOCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459620081 478013859 /nfs/dbraw/zinc/01/38/59/478013859.db2.gz MYOSDCKONMLEOX-UHFFFAOYSA-N 1 0 342.399 2.608 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)s1 ZINC000459727799 478061148 /nfs/dbraw/zinc/06/11/48/478061148.db2.gz REFQRTZWBKOMNX-KRWDZBQOSA-N 1 0 348.424 2.643 10 5 EFBERO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548839 478084539 /nfs/dbraw/zinc/08/45/39/478084539.db2.gz OPPHXQHVMXRLAL-MRXNPFEDSA-N 1 0 331.416 2.643 10 5 EFBERO CNc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000517396885 478090511 /nfs/dbraw/zinc/09/05/11/478090511.db2.gz PKCRVYMAIWUSFF-CHWSQXEVSA-N 1 0 334.420 2.629 10 5 EFBERO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429383629 478126458 /nfs/dbraw/zinc/12/64/58/478126458.db2.gz HYJGJBGITHPUQX-CQSZACIVSA-N 1 0 333.432 2.910 10 5 EFBERO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000561781814 478203614 /nfs/dbraw/zinc/20/36/14/478203614.db2.gz HOPMLOJEKCMTQU-SFHVURJKSA-N 1 0 347.415 2.650 10 5 EFBERO COc1cc(C[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000451825514 478217408 /nfs/dbraw/zinc/21/74/08/478217408.db2.gz NYENMXUBPINLPR-ZDUSSCGKSA-N 1 0 346.330 2.719 10 5 EFBERO Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)cn1 ZINC000535773061 478229176 /nfs/dbraw/zinc/22/91/76/478229176.db2.gz DNFMSTIZCDHXCO-UHFFFAOYSA-N 1 0 326.356 2.619 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590661490 478279872 /nfs/dbraw/zinc/27/98/72/478279872.db2.gz ZFQWDHZEMXJWAE-HZPDHXFCSA-N 1 0 348.399 2.771 10 5 EFBERO CCC1(N2CCOCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600208574 478284525 /nfs/dbraw/zinc/28/45/25/478284525.db2.gz MRIFRPQOXGNXEE-UHFFFAOYSA-N 1 0 347.459 2.980 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600227334 478296999 /nfs/dbraw/zinc/29/69/99/478296999.db2.gz AOOPBEFITUUMPD-AWEZNQCLSA-N 1 0 335.379 2.871 10 5 EFBERO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000590781105 478336033 /nfs/dbraw/zinc/33/60/33/478336033.db2.gz NENSFLJTVWJOOK-UHFFFAOYSA-N 1 0 349.394 2.860 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537952573 478341557 /nfs/dbraw/zinc/34/15/57/478341557.db2.gz LBDSCTXJPASQBY-ZDUSSCGKSA-N 1 0 340.445 2.769 10 5 EFBERO O=C([C@@H]1CCc2nc[nH]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468409 478366485 /nfs/dbraw/zinc/36/64/85/478366485.db2.gz QHPYYUQJWZGOKJ-CYBMUJFWSA-N 1 0 340.383 2.614 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600473142 478381623 /nfs/dbraw/zinc/38/16/23/478381623.db2.gz RSLAZHFUMZMZNU-CQSZACIVSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600473141 478381704 /nfs/dbraw/zinc/38/17/04/478381704.db2.gz RSLAZHFUMZMZNU-AWEZNQCLSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600471461 478381927 /nfs/dbraw/zinc/38/19/27/478381927.db2.gz SFZQQJDSGTUKGQ-FGTMMUONSA-N 1 0 343.427 2.831 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600474020 478384632 /nfs/dbraw/zinc/38/46/32/478384632.db2.gz WEMLJWPCXWXSKZ-AWEZNQCLSA-N 1 0 342.399 2.823 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600474021 478385141 /nfs/dbraw/zinc/38/51/41/478385141.db2.gz WEMLJWPCXWXSKZ-CQSZACIVSA-N 1 0 342.399 2.823 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000594510007 478416864 /nfs/dbraw/zinc/41/68/64/478416864.db2.gz MOWHIRWJIUTVPD-QGZVFWFLSA-N 1 0 325.368 2.946 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000594510006 478417353 /nfs/dbraw/zinc/41/73/53/478417353.db2.gz MOWHIRWJIUTVPD-KRWDZBQOSA-N 1 0 325.368 2.946 10 5 EFBERO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510064 478417375 /nfs/dbraw/zinc/41/73/75/478417375.db2.gz OEQQMAYMLIKQNR-SZOQZIPDSA-N 1 0 333.432 2.669 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCn4ccnc43)c2c1 ZINC000594525128 478426844 /nfs/dbraw/zinc/42/68/44/478426844.db2.gz SLYXXKSMZTWJEA-MRXNPFEDSA-N 1 0 325.372 2.940 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000594592772 478454633 /nfs/dbraw/zinc/45/46/33/478454633.db2.gz WMSSVZVFIAHXEL-VDISTLRHSA-N 1 0 332.429 2.892 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597698184 478470105 /nfs/dbraw/zinc/47/01/05/478470105.db2.gz GSDPTQDAWFKHTO-PWSUYJOCSA-N 1 0 325.796 2.721 10 5 EFBERO Cc1c(Br)c(NCC2([NH3+])CCCC2)ncc1[N+](=O)[O-] ZINC000594694409 478499157 /nfs/dbraw/zinc/49/91/57/478499157.db2.gz NYEKCSSHVJBPIF-UHFFFAOYSA-N 1 0 329.198 2.744 10 5 EFBERO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000594697950 478500965 /nfs/dbraw/zinc/50/09/65/478500965.db2.gz BGTLQKZRIWRDLU-MRXNPFEDSA-N 1 0 328.368 2.553 10 5 EFBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270947 478501659 /nfs/dbraw/zinc/50/16/59/478501659.db2.gz GYUICHBFSHJSDN-UHFFFAOYSA-N 1 0 325.412 2.915 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600757324 478507302 /nfs/dbraw/zinc/50/73/02/478507302.db2.gz SFZFFSLDNFYDRQ-CWRNSKLLSA-N 1 0 334.397 2.542 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000600763103 478509994 /nfs/dbraw/zinc/50/99/94/478509994.db2.gz ZYNOOXLNSDCPFW-ZDUSSCGKSA-N 1 0 338.429 2.538 10 5 EFBERO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600764111 478510329 /nfs/dbraw/zinc/51/03/29/478510329.db2.gz XUZDWFLUIYMWRL-CYBMUJFWSA-N 1 0 346.374 2.996 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600778314 478516676 /nfs/dbraw/zinc/51/66/76/478516676.db2.gz YAQSXNSLCRZLTI-LSDHHAIUSA-N 1 0 332.429 2.948 10 5 EFBERO C[C@]1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594733005 478518530 /nfs/dbraw/zinc/51/85/30/478518530.db2.gz OVKBNXGYDKSAPY-AWEZNQCLSA-N 1 0 327.331 2.948 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597856883 478542698 /nfs/dbraw/zinc/54/26/98/478542698.db2.gz CDMVFTYIUMARLV-LLVKDONJSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597857297 478544060 /nfs/dbraw/zinc/54/40/60/478544060.db2.gz CPSCEKMBZVDSHT-ZDUSSCGKSA-N 1 0 331.372 2.944 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597858186 478544607 /nfs/dbraw/zinc/54/46/07/478544607.db2.gz LSGBOYJOXGEPSD-AWEZNQCLSA-N 1 0 349.431 2.661 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597859094 478545031 /nfs/dbraw/zinc/54/50/31/478545031.db2.gz RUXSOIWVEYDHTF-GFCCVEGCSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859949 478547054 /nfs/dbraw/zinc/54/70/54/478547054.db2.gz IQZLFBUBWZORNH-HNNXBMFYSA-N 1 0 347.415 2.547 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597859638 478547293 /nfs/dbraw/zinc/54/72/93/478547293.db2.gz WUKSCFSDOURBQQ-HNNXBMFYSA-N 1 0 333.432 2.861 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000600952091 478582858 /nfs/dbraw/zinc/58/28/58/478582858.db2.gz QYPQTAVOZYILRF-DTWKUNHWSA-N 1 0 329.198 2.613 10 5 EFBERO Cc1c(Br)c(N[C@H]2CC[C@H](C)[NH2+]C2)ncc1[N+](=O)[O-] ZINC000600954432 478583299 /nfs/dbraw/zinc/58/32/99/478583299.db2.gz BPURRXUIXZWLOO-CBAPKCEASA-N 1 0 329.198 2.613 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc4n(n3)CCC4)c2c1 ZINC000594950512 478600756 /nfs/dbraw/zinc/60/07/56/478600756.db2.gz APYNGOWHTKSBKP-UHFFFAOYSA-N 1 0 325.372 2.551 10 5 EFBERO COC[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000594955342 478602053 /nfs/dbraw/zinc/60/20/53/478602053.db2.gz NEUMHLLMORRDCZ-CQSZACIVSA-N 1 0 334.372 2.996 10 5 EFBERO COC[C@@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000594954958 478602543 /nfs/dbraw/zinc/60/25/43/478602543.db2.gz IOFWCYMCDBOXFX-MRXNPFEDSA-N 1 0 334.372 2.996 10 5 EFBERO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591681966 478606210 /nfs/dbraw/zinc/60/62/10/478606210.db2.gz BLVPMQDJQCVQPA-UHFFFAOYSA-N 1 0 335.429 2.579 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594974475 478613545 /nfs/dbraw/zinc/61/35/45/478613545.db2.gz MEFIPASHMTTZAY-MKGJVGOLSA-N 1 0 338.429 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000594971160 478614179 /nfs/dbraw/zinc/61/41/79/478614179.db2.gz XARYFNSSLHLHFG-NSHDSACASA-N 1 0 338.257 2.710 10 5 EFBERO C[C@@]1(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594976403 478615581 /nfs/dbraw/zinc/61/55/81/478615581.db2.gz DBIMVZBYZFPJQQ-CQSZACIVSA-N 1 0 328.315 2.891 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000594975617 478616200 /nfs/dbraw/zinc/61/62/00/478616200.db2.gz XTMFYBDJCOJCOJ-UHFFFAOYSA-N 1 0 340.445 2.740 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979998 478617338 /nfs/dbraw/zinc/61/73/38/478617338.db2.gz OJOVFQKUYFFCLV-SUMWQHHRSA-N 1 0 332.379 2.968 10 5 EFBERO CNC(=O)CC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000594994141 478622484 /nfs/dbraw/zinc/62/24/84/478622484.db2.gz CKWMYVFWHOTOQG-UHFFFAOYSA-N 1 0 349.431 2.780 10 5 EFBERO Cn1cc(C[NH2+]C[C@@H]2CCOC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594996677 478622505 /nfs/dbraw/zinc/62/25/05/478622505.db2.gz UYCDRSXNTHXFMS-HNNXBMFYSA-N 1 0 344.415 2.900 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998013 478623644 /nfs/dbraw/zinc/62/36/44/478623644.db2.gz DVEZWKPJYBABDU-KRWDZBQOSA-N 1 0 341.411 2.968 10 5 EFBERO COc1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([N+](=O)[O-])cc1O ZINC000594997183 478624385 /nfs/dbraw/zinc/62/43/85/478624385.db2.gz YXNCTBPKHBWJSL-MORSLUCNSA-N 1 0 344.342 2.876 10 5 EFBERO CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042243 478628370 /nfs/dbraw/zinc/62/83/70/478628370.db2.gz WNVZXNAAOTXPKL-IXDOHACOSA-N 1 0 331.416 2.641 10 5 EFBERO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000598041797 478628541 /nfs/dbraw/zinc/62/85/41/478628541.db2.gz MZIAJMOKIZMVJG-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000595054241 478643571 /nfs/dbraw/zinc/64/35/71/478643571.db2.gz OIGKJHGUHUBZJU-CJNGLKHVSA-N 1 0 348.447 2.774 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058956 478644835 /nfs/dbraw/zinc/64/48/35/478644835.db2.gz CZHSJIDLNPSCKP-JDFRZJQESA-N 1 0 338.404 2.696 10 5 EFBERO CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595059918 478645264 /nfs/dbraw/zinc/64/52/64/478645264.db2.gz IPIQMOPHHMIOAU-OAHLLOKOSA-N 1 0 340.445 2.850 10 5 EFBERO CO[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595059017 478645287 /nfs/dbraw/zinc/64/52/87/478645287.db2.gz FHGHURQXRGHKPN-OAUYIBNBSA-N 1 0 334.416 2.958 10 5 EFBERO C[C@H]1CC[N@H+](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000571652811 478647798 /nfs/dbraw/zinc/64/77/98/478647798.db2.gz CIAHMXBMGWQSSB-JTQLQIEISA-N 1 0 345.321 2.572 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595066406 478647874 /nfs/dbraw/zinc/64/78/74/478647874.db2.gz XFWXVLUPGAPGQC-IXKJSCDLSA-N 1 0 334.416 2.738 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000595078792 478651848 /nfs/dbraw/zinc/65/18/48/478651848.db2.gz FMTMVORGYSWARB-WWGRRREGSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595075488 478651940 /nfs/dbraw/zinc/65/19/40/478651940.db2.gz XLLITEGZOCLBMY-BLLLJJGKSA-N 1 0 325.368 2.833 10 5 EFBERO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601101252 478656279 /nfs/dbraw/zinc/65/62/79/478656279.db2.gz VOUJHTIUZUKBOL-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccnn2CC2CCC2)cc1 ZINC000601106079 478660608 /nfs/dbraw/zinc/66/06/08/478660608.db2.gz LYOSHZRXFQJBBH-UHFFFAOYSA-N 1 0 330.388 2.760 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000601108865 478661379 /nfs/dbraw/zinc/66/13/79/478661379.db2.gz NQYBCGBLTVBOLS-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595108154 478664010 /nfs/dbraw/zinc/66/40/10/478664010.db2.gz ZZAUAPJOBJVILX-GFCCVEGCSA-N 1 0 326.418 2.521 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601118035 478667142 /nfs/dbraw/zinc/66/71/42/478667142.db2.gz DHNBDSOBFRKREP-SECBINFHSA-N 1 0 335.330 2.633 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601130360 478676042 /nfs/dbraw/zinc/67/60/42/478676042.db2.gz JEZPXCDRPHNIOX-UHFFFAOYSA-N 1 0 331.416 2.571 10 5 EFBERO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000591891545 478678661 /nfs/dbraw/zinc/67/86/61/478678661.db2.gz JXEMUALEUCIMSP-UKRRQHHQSA-N 1 0 347.415 2.516 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601138106 478681219 /nfs/dbraw/zinc/68/12/19/478681219.db2.gz OUFZPRZDRWHUAB-OAHLLOKOSA-N 1 0 334.372 2.569 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([NH+]3CCCC3)C1)CCCC2 ZINC000591898809 478684378 /nfs/dbraw/zinc/68/43/78/478684378.db2.gz FKCQFCGQGPNYRD-OAHLLOKOSA-N 1 0 330.432 2.933 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@H](O)C(F)F)cs2)c1 ZINC000601147606 478687114 /nfs/dbraw/zinc/68/71/14/478687114.db2.gz UNVWLEJEFJKQFR-GFCCVEGCSA-N 1 0 343.355 2.824 10 5 EFBERO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601152516 478691459 /nfs/dbraw/zinc/69/14/59/478691459.db2.gz FGFDNRZVJKXGAF-KRWDZBQOSA-N 1 0 343.427 2.712 10 5 EFBERO Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595220107 478691850 /nfs/dbraw/zinc/69/18/50/478691850.db2.gz FMNYSMXAQQDDNH-QZTJIDSGSA-N 1 0 339.395 2.860 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225275 478692804 /nfs/dbraw/zinc/69/28/04/478692804.db2.gz MCWVIBMGAKICIH-NVXWUHKLSA-N 1 0 331.416 2.518 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595226619 478694214 /nfs/dbraw/zinc/69/42/14/478694214.db2.gz WUIQPVDVLYDIGO-DOTOQJQBSA-N 1 0 331.416 2.898 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595226621 478694837 /nfs/dbraw/zinc/69/48/37/478694837.db2.gz WUIQPVDVLYDIGO-RDJZCZTQSA-N 1 0 331.416 2.898 10 5 EFBERO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000595251008 478702012 /nfs/dbraw/zinc/70/20/12/478702012.db2.gz VMSGQNRYWZZXNV-MRXNPFEDSA-N 1 0 339.395 2.903 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258035 478704534 /nfs/dbraw/zinc/70/45/34/478704534.db2.gz QTQQUXFTENSYIP-QGZVFWFLSA-N 1 0 341.367 2.816 10 5 EFBERO Cc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595259188 478705791 /nfs/dbraw/zinc/70/57/91/478705791.db2.gz YPXRFRHHANDLGN-QGZVFWFLSA-N 1 0 341.367 2.816 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000542970459 478711267 /nfs/dbraw/zinc/71/12/67/478711267.db2.gz IQCQTTUZVATZHE-AWEZNQCLSA-N 1 0 347.415 2.550 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601191616 478715540 /nfs/dbraw/zinc/71/55/40/478715540.db2.gz OBAHXJTWSPOOLJ-QMMMGPOBSA-N 1 0 335.330 2.632 10 5 EFBERO CCC1([NH+](C)C)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000601225860 478733183 /nfs/dbraw/zinc/73/31/83/478733183.db2.gz AINPZTQWTDCDQL-UHFFFAOYSA-N 1 0 345.403 2.554 10 5 EFBERO CCC1([NH+](C)C)CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601229305 478736494 /nfs/dbraw/zinc/73/64/94/478736494.db2.gz LWIUSIVTBOOGDB-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCC[N@H+](C)C1 ZINC000601231714 478737843 /nfs/dbraw/zinc/73/78/43/478737843.db2.gz IVUKFWFOOKGFEL-INIZCTEOSA-N 1 0 331.416 2.569 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000601233234 478738808 /nfs/dbraw/zinc/73/88/08/478738808.db2.gz ZTGLTOWXSOGZMY-HIFRSBDPSA-N 1 0 331.416 2.615 10 5 EFBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000601251047 478746432 /nfs/dbraw/zinc/74/64/32/478746432.db2.gz RMVHNTXHDHMECC-AWEZNQCLSA-N 1 0 338.795 2.806 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@H](C)C1 ZINC000564469338 478748515 /nfs/dbraw/zinc/74/85/15/478748515.db2.gz CZEAGSGRXMZDQF-KGLIPLIRSA-N 1 0 336.436 2.944 10 5 EFBERO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601260937 478753136 /nfs/dbraw/zinc/75/31/36/478753136.db2.gz WOBYGNPAHBDSDO-OAHLLOKOSA-N 1 0 345.443 2.817 10 5 EFBERO CO[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373189 478753208 /nfs/dbraw/zinc/75/32/08/478753208.db2.gz XZTXWEHBQDDSKE-GOEBONIOSA-N 1 0 334.420 2.681 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652216 478778394 /nfs/dbraw/zinc/77/83/94/478778394.db2.gz VOCIWXUFGMNTRD-AZOIQLNYSA-N 1 0 342.395 2.858 10 5 EFBERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311116 478779894 /nfs/dbraw/zinc/77/98/94/478779894.db2.gz YKGRKMHEYVJBJM-SUMWQHHRSA-N 1 0 343.427 2.615 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCn1ccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592132268 478789887 /nfs/dbraw/zinc/78/98/87/478789887.db2.gz FXTNORMKNQSCQC-QAQDUYKDSA-N 1 0 344.415 2.597 10 5 EFBERO C[C@@H](O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132879 478790476 /nfs/dbraw/zinc/79/04/76/478790476.db2.gz PBJJXFOSPAERBY-DJIMGWMZSA-N 1 0 336.432 2.861 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144766 478796030 /nfs/dbraw/zinc/79/60/30/478796030.db2.gz NJEONHYJVJDZLX-UHFFFAOYSA-N 1 0 331.347 2.565 10 5 EFBERO Cc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCC2)c1 ZINC000592146468 478796351 /nfs/dbraw/zinc/79/63/51/478796351.db2.gz QOCZSNVSIGGONC-UHFFFAOYSA-N 1 0 327.384 2.734 10 5 EFBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592183067 478815656 /nfs/dbraw/zinc/81/56/56/478815656.db2.gz CPWMDKNIFHNDFW-HZMBPMFUSA-N 1 0 345.321 2.656 10 5 EFBERO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000592178382 478815987 /nfs/dbraw/zinc/81/59/87/478815987.db2.gz DKFOVUOAOPSUFV-KRWDZBQOSA-N 1 0 334.416 2.917 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1C ZINC000601391876 478816474 /nfs/dbraw/zinc/81/64/74/478816474.db2.gz BTCPICJWDAKYNE-DLBZAZTESA-N 1 0 331.416 2.816 10 5 EFBERO C[NH+]1CCC(C)(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601415839 478825833 /nfs/dbraw/zinc/82/58/33/478825833.db2.gz LBPZTTYUUNGWID-UHFFFAOYSA-N 1 0 345.443 2.865 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000598466492 478837337 /nfs/dbraw/zinc/83/73/37/478837337.db2.gz VMGZPBWNHDQRNX-UHFFFAOYSA-N 1 0 337.420 2.519 10 5 EFBERO Cn1cnc(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000592373166 478872326 /nfs/dbraw/zinc/87/23/26/478872326.db2.gz BDYCALVHYQEHHW-UHFFFAOYSA-N 1 0 341.371 2.706 10 5 EFBERO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000601553050 478875334 /nfs/dbraw/zinc/87/53/34/478875334.db2.gz XKFQFNPNQYJEEC-OAHLLOKOSA-N 1 0 339.395 2.692 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000565045824 478896752 /nfs/dbraw/zinc/89/67/52/478896752.db2.gz CCBOGIYOXDDNMN-SMDDNHRTSA-N 1 0 334.376 2.532 10 5 EFBERO Cc1sc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562089 478897366 /nfs/dbraw/zinc/89/73/66/478897366.db2.gz SYNIEJANKGNNMZ-CYBMUJFWSA-N 1 0 337.445 2.817 10 5 EFBERO Cc1c(NC(=O)[C@H](C)N2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627438 478898493 /nfs/dbraw/zinc/89/84/93/478898493.db2.gz ZCZMYDYJKKBTMQ-SCLBCKFNSA-N 1 0 347.415 2.731 10 5 EFBERO CC1(C)C[C@H]([N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)CO1 ZINC000595634525 478904537 /nfs/dbraw/zinc/90/45/37/478904537.db2.gz BPKLSSMLJPWCAR-INIZCTEOSA-N 1 0 344.415 2.861 10 5 EFBERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583688187 478915363 /nfs/dbraw/zinc/91/53/63/478915363.db2.gz SXLVVZATTVZKQN-VYUIOLGVSA-N 1 0 345.321 2.730 10 5 EFBERO COC(=O)c1ccnc(Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000598594814 478917103 /nfs/dbraw/zinc/91/71/03/478917103.db2.gz DFIQOIBTNKLQMT-UHFFFAOYSA-N 1 0 344.371 2.624 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000592516982 478926294 /nfs/dbraw/zinc/92/62/94/478926294.db2.gz MNZOQSKAFDDWSZ-ZBFHGGJFSA-N 1 0 348.399 2.772 10 5 EFBERO C[C@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595680951 478931913 /nfs/dbraw/zinc/93/19/13/478931913.db2.gz JAVGWWIQYZWMIA-ZDUSSCGKSA-N 1 0 333.388 2.567 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680017 478932419 /nfs/dbraw/zinc/93/24/19/478932419.db2.gz GHHQAECEDPWHBG-AWEZNQCLSA-N 1 0 347.415 2.875 10 5 EFBERO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCC1 ZINC000598633006 478934904 /nfs/dbraw/zinc/93/49/04/478934904.db2.gz HXWUZVROYCEEOE-UHFFFAOYSA-N 1 0 327.768 2.589 10 5 EFBERO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000595689948 478938852 /nfs/dbraw/zinc/93/88/52/478938852.db2.gz GKVPFPKKXYYOPK-KRWDZBQOSA-N 1 0 333.363 2.883 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571349 478944549 /nfs/dbraw/zinc/94/45/49/478944549.db2.gz XITVQTDQVIGNGO-WFASDCNBSA-N 1 0 349.456 2.866 10 5 EFBERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281342 478966717 /nfs/dbraw/zinc/96/67/17/478966717.db2.gz MQXWGUAWTWYVQD-STQMWFEESA-N 1 0 344.415 2.608 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742800 478971259 /nfs/dbraw/zinc/97/12/59/478971259.db2.gz HUGKCYHQCZHVJA-ZAZJYDDPSA-N 1 0 346.387 2.655 10 5 EFBERO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601739241 478977915 /nfs/dbraw/zinc/97/79/15/478977915.db2.gz OACFXGDNGWDLFD-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000601740953 478979152 /nfs/dbraw/zinc/97/91/52/478979152.db2.gz XSNVXLRZBQRCNB-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000601739788 478979370 /nfs/dbraw/zinc/97/93/70/478979370.db2.gz PBDFHAWALJFZNH-UHFFFAOYSA-N 1 0 331.416 2.614 10 5 EFBERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000601740991 478979856 /nfs/dbraw/zinc/97/98/56/478979856.db2.gz ZAJZCRVTVMYDIE-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595761483 478982841 /nfs/dbraw/zinc/98/28/41/478982841.db2.gz XABNGNACGREXBQ-CJBNDPTMSA-N 1 0 344.371 2.674 10 5 EFBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000598717131 478987980 /nfs/dbraw/zinc/98/79/80/478987980.db2.gz XVJLXPGSBRKIFT-UHFFFAOYSA-N 1 0 337.445 2.919 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771942 478989503 /nfs/dbraw/zinc/98/95/03/478989503.db2.gz QWFZKFGRRWOSAW-XJKSGUPXSA-N 1 0 332.379 2.968 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000565368045 478990816 /nfs/dbraw/zinc/99/08/16/478990816.db2.gz QPMAFPXBCCWARL-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO Cc1c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000601775247 478996408 /nfs/dbraw/zinc/99/64/08/478996408.db2.gz OFIKZSVEGMALNQ-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000595850697 479032623 /nfs/dbraw/zinc/03/26/23/479032623.db2.gz NNAQYRFSXFTRLY-HNNXBMFYSA-N 1 0 349.431 2.730 10 5 EFBERO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000584179739 479044299 /nfs/dbraw/zinc/04/42/99/479044299.db2.gz UKZCTSYTIDSXCR-UHFFFAOYSA-N 1 0 344.415 2.513 10 5 EFBERO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595876134 479046196 /nfs/dbraw/zinc/04/61/96/479046196.db2.gz DPCAPYNDLZDNHR-HNNXBMFYSA-N 1 0 339.395 2.856 10 5 EFBERO [NH3+]C[C@H]1CCc2ccccc2N1CCOc1ccccc1[N+](=O)[O-] ZINC000595903506 479061496 /nfs/dbraw/zinc/06/14/96/479061496.db2.gz WYIPLPOTGKMBKQ-OAHLLOKOSA-N 1 0 327.384 2.754 10 5 EFBERO [NH3+][C@H]1CCc2ccccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595904122 479061666 /nfs/dbraw/zinc/06/16/66/479061666.db2.gz OVOIDCWZQYASRD-HNNXBMFYSA-N 1 0 327.384 2.754 10 5 EFBERO COCC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000595908026 479062424 /nfs/dbraw/zinc/06/24/24/479062424.db2.gz DUWFQIRYPGQWEV-UHFFFAOYSA-N 1 0 335.404 2.781 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595905010 479063526 /nfs/dbraw/zinc/06/35/26/479063526.db2.gz OBJYBUHVKASBHF-HDICACEKSA-N 1 0 332.400 2.866 10 5 EFBERO CCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](C)C1 ZINC000592832156 479064655 /nfs/dbraw/zinc/06/46/55/479064655.db2.gz RRLYAVOZSSBANB-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO COCC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000595912063 479066526 /nfs/dbraw/zinc/06/65/26/479066526.db2.gz WNTWXXARFTUWRI-UHFFFAOYSA-N 1 0 336.388 2.900 10 5 EFBERO COCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000595910872 479066717 /nfs/dbraw/zinc/06/67/17/479066717.db2.gz TUUPLFYYNAGEGU-UHFFFAOYSA-N 1 0 335.404 2.781 10 5 EFBERO Cc1cccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595932578 479077939 /nfs/dbraw/zinc/07/79/39/479077939.db2.gz AHVLCJNJGHYMPK-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO C[N@@H+]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592881867 479086948 /nfs/dbraw/zinc/08/69/48/479086948.db2.gz NWCHYZDVMFMRDB-AEFFLSMTSA-N 1 0 339.395 2.670 10 5 EFBERO CCC(C)(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000601965937 479099347 /nfs/dbraw/zinc/09/93/47/479099347.db2.gz BWTMBXKBQUQFGH-UHFFFAOYSA-N 1 0 328.434 2.784 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601976336 479105048 /nfs/dbraw/zinc/10/50/48/479105048.db2.gz POQRHWLRZDRASK-CQSZACIVSA-N 1 0 330.331 2.720 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000601976491 479105140 /nfs/dbraw/zinc/10/51/40/479105140.db2.gz QYZFUONSTMCPNB-AWEZNQCLSA-N 1 0 346.431 2.677 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000598989578 479115868 /nfs/dbraw/zinc/11/58/68/479115868.db2.gz MORIGPXTRBFOMH-CYBMUJFWSA-N 1 0 344.293 2.693 10 5 EFBERO COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000598992432 479117569 /nfs/dbraw/zinc/11/75/69/479117569.db2.gz NRIONJLDEMKRFP-OAHLLOKOSA-N 1 0 349.431 2.806 10 5 EFBERO COc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000598992431 479118194 /nfs/dbraw/zinc/11/81/94/479118194.db2.gz NRIONJLDEMKRFP-HNNXBMFYSA-N 1 0 349.431 2.806 10 5 EFBERO CC1(C)[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596067290 479119177 /nfs/dbraw/zinc/11/91/77/479119177.db2.gz YUTJMRHYFAUFOP-LBPRGKRZSA-N 1 0 327.331 2.804 10 5 EFBERO Cn1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006362 479123426 /nfs/dbraw/zinc/12/34/26/479123426.db2.gz HJEHGRUMBGXXJE-NVXWUHKLSA-N 1 0 342.399 2.652 10 5 EFBERO COc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078832 479124665 /nfs/dbraw/zinc/12/46/65/479124665.db2.gz UZMSAPJDKPMGAM-LLVKDONJSA-N 1 0 343.811 2.516 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599018039 479126961 /nfs/dbraw/zinc/12/69/61/479126961.db2.gz SSHRVZVLIKRPOS-CQSZACIVSA-N 1 0 348.399 2.817 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000593030518 479133349 /nfs/dbraw/zinc/13/33/49/479133349.db2.gz XACXOQQLWNVUHN-INIZCTEOSA-N 1 0 348.399 2.820 10 5 EFBERO COc1cc(Nc2cnn(CC[NH+](C)C)c2)c(Cl)cc1[N+](=O)[O-] ZINC000596096550 479136336 /nfs/dbraw/zinc/13/63/36/479136336.db2.gz JMEDITIWGXHVFD-UHFFFAOYSA-N 1 0 339.783 2.759 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCCOC1 ZINC000599054552 479141152 /nfs/dbraw/zinc/14/11/52/479141152.db2.gz BMXUVVHVAPNYKS-KGLIPLIRSA-N 1 0 335.404 2.718 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593051012 479143961 /nfs/dbraw/zinc/14/39/61/479143961.db2.gz KNSSANZVQOPJMT-SWLSCSKDSA-N 1 0 337.420 2.619 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000599067210 479145667 /nfs/dbraw/zinc/14/56/67/479145667.db2.gz YENYQJFAXCEUGZ-SNPRPXQTSA-N 1 0 340.445 2.595 10 5 EFBERO CC[NH+](CC)CCOCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599064409 479145699 /nfs/dbraw/zinc/14/56/99/479145699.db2.gz CMURSHZNBFHONO-UHFFFAOYSA-N 1 0 332.404 2.913 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599074024 479150711 /nfs/dbraw/zinc/15/07/11/479150711.db2.gz JFTKQUHWCJICJA-UOSRWGBYSA-N 1 0 335.404 2.713 10 5 EFBERO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074539 479150730 /nfs/dbraw/zinc/15/07/30/479150730.db2.gz NGBBSAIPZAHJIQ-FUHWJXTLSA-N 1 0 337.379 2.999 10 5 EFBERO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596122883 479151724 /nfs/dbraw/zinc/15/17/24/479151724.db2.gz QEFLZPCXCUMUPD-AWEZNQCLSA-N 1 0 338.477 2.571 10 5 EFBERO COc1cc(NCC2([NH+](C)C)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128862 479154245 /nfs/dbraw/zinc/15/42/45/479154245.db2.gz OTAIPQKPLINZCF-UHFFFAOYSA-N 1 0 343.811 2.780 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599093702 479159209 /nfs/dbraw/zinc/15/92/09/479159209.db2.gz QDVQNHQDBRUPQK-DOMZBBRYSA-N 1 0 347.415 2.798 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000599093927 479159949 /nfs/dbraw/zinc/15/99/49/479159949.db2.gz YOYDAIBNVHJXTC-YVLXSGLVSA-N 1 0 332.360 2.775 10 5 EFBERO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCCC1 ZINC000555980218 479168249 /nfs/dbraw/zinc/16/82/49/479168249.db2.gz NPWVHSLHTFALDB-CQSZACIVSA-N 1 0 349.434 2.895 10 5 EFBERO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599127167 479170295 /nfs/dbraw/zinc/17/02/95/479170295.db2.gz QJZLBMGPEZZOMJ-OAHLLOKOSA-N 1 0 346.431 2.773 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128019 479172215 /nfs/dbraw/zinc/17/22/15/479172215.db2.gz VLSLJJIMDKBACS-OAHLLOKOSA-N 1 0 346.431 2.773 10 5 EFBERO COC(=O)c1cc(N2CCC[C@H]([NH2+]C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000610769825 479182281 /nfs/dbraw/zinc/18/22/81/479182281.db2.gz MSVMUISVARDWIF-ZDUSSCGKSA-N 1 0 335.404 2.657 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CCO)CCOCC3)o2)cc1 ZINC000610771675 479184352 /nfs/dbraw/zinc/18/43/52/479184352.db2.gz QWMABJYIKCHECZ-UHFFFAOYSA-N 1 0 346.383 2.876 10 5 EFBERO CCOc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599160992 479188197 /nfs/dbraw/zinc/18/81/97/479188197.db2.gz SCIGTYIHBGLQJP-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000584634751 479195959 /nfs/dbraw/zinc/19/59/59/479195959.db2.gz KHYZNVRIKISQHA-XEZPLFJOSA-N 1 0 337.420 2.699 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000599183094 479199566 /nfs/dbraw/zinc/19/95/66/479199566.db2.gz GPQDIQGCKDYQMC-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000599183742 479199630 /nfs/dbraw/zinc/19/96/30/479199630.db2.gz SPGQFUWZBUFMPN-UHFFFAOYSA-N 1 0 348.447 2.688 10 5 EFBERO COC[C@]1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599202536 479207580 /nfs/dbraw/zinc/20/75/80/479207580.db2.gz PWRLDSPWFSOLKZ-KRWDZBQOSA-N 1 0 331.372 2.693 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602172092 479215956 /nfs/dbraw/zinc/21/59/56/479215956.db2.gz NDGGGHNBHNWYBO-CHWSQXEVSA-N 1 0 337.445 2.775 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593205027 479239064 /nfs/dbraw/zinc/23/90/64/479239064.db2.gz SXSRLBQNTKSXAA-UHFFFAOYSA-N 1 0 341.839 2.885 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593209080 479240218 /nfs/dbraw/zinc/24/02/18/479240218.db2.gz OWZIOATUNMEHBC-UHFFFAOYSA-N 1 0 348.447 2.877 10 5 EFBERO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309514 479248169 /nfs/dbraw/zinc/24/81/69/479248169.db2.gz STEQLLSRDXZVCO-AWEZNQCLSA-N 1 0 349.431 2.985 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596307892 479248451 /nfs/dbraw/zinc/24/84/51/479248451.db2.gz QGIPZGQANCEGMQ-LBPRGKRZSA-N 1 0 332.404 2.764 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596360376 479265657 /nfs/dbraw/zinc/26/56/57/479265657.db2.gz KAVYJOJGOMTBGT-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000599387811 479279706 /nfs/dbraw/zinc/27/97/06/479279706.db2.gz SNXXZHMLPWIQCQ-INIZCTEOSA-N 1 0 348.378 2.955 10 5 EFBERO CCO[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000593314809 479289970 /nfs/dbraw/zinc/28/99/70/479289970.db2.gz FCNOIKBCJNBKOQ-FZKQIMNGSA-N 1 0 345.399 2.650 10 5 EFBERO CCO[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000593317130 479291409 /nfs/dbraw/zinc/29/14/09/479291409.db2.gz QUBIUQRRFZAREA-RDTXWAMCSA-N 1 0 345.399 2.650 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179862 479304541 /nfs/dbraw/zinc/30/45/41/479304541.db2.gz LYLFLOSCWZAQBM-SNVBAGLBSA-N 1 0 343.330 2.519 10 5 EFBERO CCCC[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000574673491 479327260 /nfs/dbraw/zinc/32/72/60/479327260.db2.gz CDWQHOUPBFKILK-INIZCTEOSA-N 1 0 333.388 2.940 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611287570 479338015 /nfs/dbraw/zinc/33/80/15/479338015.db2.gz RTBIFGDWPOXXHD-UONOGXRCSA-N 1 0 348.399 2.615 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000596565319 479341679 /nfs/dbraw/zinc/34/16/79/479341679.db2.gz FUEPRMWARZRRGA-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000596567108 479342714 /nfs/dbraw/zinc/34/27/14/479342714.db2.gz OTRIRLRDNURPNZ-OAHLLOKOSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599601486 479348646 /nfs/dbraw/zinc/34/86/46/479348646.db2.gz VQCPQPYUNHQJHV-CALCHBBNSA-N 1 0 332.404 2.675 10 5 EFBERO C[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[NH2+]1 ZINC000599602964 479348678 /nfs/dbraw/zinc/34/86/78/479348678.db2.gz BGQXTMOXVOSIBS-SCZZXKLOSA-N 1 0 346.309 2.876 10 5 EFBERO CS[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000593465166 479352797 /nfs/dbraw/zinc/35/27/97/479352797.db2.gz KBSCBUPEUKVVFA-HZPDHXFCSA-N 1 0 332.429 2.625 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000593466723 479354165 /nfs/dbraw/zinc/35/41/65/479354165.db2.gz JRCUXASPTMFWSO-OAHLLOKOSA-N 1 0 342.399 2.808 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624367 479356994 /nfs/dbraw/zinc/35/69/94/479356994.db2.gz CYJNIDFBHIFZTF-CTIKTKRKSA-N 1 0 335.404 2.632 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599623801 479357644 /nfs/dbraw/zinc/35/76/44/479357644.db2.gz XNEHKAKLLAVMNH-HNNXBMFYSA-N 1 0 333.432 2.843 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626952 479358360 /nfs/dbraw/zinc/35/83/60/479358360.db2.gz SUVYESQDXAOUFK-SPTRTOBYSA-N 1 0 341.795 2.588 10 5 EFBERO CC(C)C[N@H+](C)CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000593479297 479359569 /nfs/dbraw/zinc/35/95/69/479359569.db2.gz AFWYMYAOYUFENX-UHFFFAOYSA-N 1 0 333.392 2.633 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596627328 479363003 /nfs/dbraw/zinc/36/30/03/479363003.db2.gz YIIOERJLQOHWFP-LBPRGKRZSA-N 1 0 336.392 2.598 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)co2)cc1 ZINC000599635830 479363116 /nfs/dbraw/zinc/36/31/16/479363116.db2.gz ANBGJILXEBNFHL-KBXCAEBGSA-N 1 0 343.383 2.844 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599649563 479368753 /nfs/dbraw/zinc/36/87/53/479368753.db2.gz BNPKKYOHNYLFAW-GVDBMIGSSA-N 1 0 332.400 2.801 10 5 EFBERO Nc1cc(NC2CC[NH+](CC3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587553416 479372701 /nfs/dbraw/zinc/37/27/01/479372701.db2.gz IPHQDELWPVDOIZ-UHFFFAOYSA-N 1 0 348.447 2.736 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599661168 479376717 /nfs/dbraw/zinc/37/67/17/479376717.db2.gz SKWYYFYTBXWVPY-RRFJBIMHSA-N 1 0 348.399 2.767 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599672904 479384280 /nfs/dbraw/zinc/38/42/80/479384280.db2.gz IXOLOECNUJEKBJ-UHFFFAOYSA-N 1 0 333.388 2.808 10 5 EFBERO CC[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000603434991 479384793 /nfs/dbraw/zinc/38/47/93/479384793.db2.gz VWXCKRRGGAQPKO-OAHLLOKOSA-N 1 0 334.420 2.782 10 5 EFBERO CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CCc1ccccc1)C(F)F ZINC000599681567 479388350 /nfs/dbraw/zinc/38/83/50/479388350.db2.gz GHSATKVVGDNSOZ-OAHLLOKOSA-N 1 0 338.358 2.990 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501377 479397328 /nfs/dbraw/zinc/39/73/28/479397328.db2.gz BEPKEJFCLDHYFZ-YPMHNXCESA-N 1 0 339.367 2.612 10 5 EFBERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599709166 479401419 /nfs/dbraw/zinc/40/14/19/479401419.db2.gz PVQITKTUIPFJMN-BTTYYORXSA-N 1 0 336.388 2.636 10 5 EFBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(F)c1 ZINC000611525315 479405055 /nfs/dbraw/zinc/40/50/55/479405055.db2.gz XLLYZCRILJZKDV-INIZCTEOSA-N 1 0 348.378 2.523 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000593694647 479424939 /nfs/dbraw/zinc/42/49/39/479424939.db2.gz PCGGOMKSLNPDTO-OAHLLOKOSA-N 1 0 331.347 2.600 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000593716916 479433297 /nfs/dbraw/zinc/43/32/97/479433297.db2.gz LSPUILGABAAMPN-UXLLHSPISA-N 1 0 325.368 2.538 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725876 479436071 /nfs/dbraw/zinc/43/60/71/479436071.db2.gz ZXXGADGGUOFSLW-OALUTQOASA-N 1 0 342.395 2.815 10 5 EFBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CC[N@H+](C)C1 ZINC000599834350 479445796 /nfs/dbraw/zinc/44/57/96/479445796.db2.gz HRXIPJNKLRCKNM-GFCCVEGCSA-N 1 0 343.387 2.701 10 5 EFBERO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000614585368 479449246 /nfs/dbraw/zinc/44/92/46/479449246.db2.gz VIKULBHIJITAMW-MRXNPFEDSA-N 1 0 329.381 2.752 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599917564 479469866 /nfs/dbraw/zinc/46/98/66/479469866.db2.gz SPVAHTARJYJYPM-INIZCTEOSA-N 1 0 346.431 2.501 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599920697 479471108 /nfs/dbraw/zinc/47/11/08/479471108.db2.gz LXUKYVYYIOXYCN-DOMZBBRYSA-N 1 0 332.404 2.548 10 5 EFBERO COCC[NH2+]C1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000593912705 479505942 /nfs/dbraw/zinc/50/59/42/479505942.db2.gz QPHRASQXVMQYJX-UHFFFAOYSA-N 1 0 349.431 2.559 10 5 EFBERO C[NH2+]Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000593914047 479507932 /nfs/dbraw/zinc/50/79/32/479507932.db2.gz FMWVLDHWVGKKMG-UHFFFAOYSA-N 1 0 327.384 2.563 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCc3ccccc3CC2)c1 ZINC000589499970 479533142 /nfs/dbraw/zinc/53/31/42/479533142.db2.gz MJQOYSXDOFVIQP-UHFFFAOYSA-N 1 0 340.379 2.982 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnn4c3CCC4)CC2)cc1 ZINC000597014152 479536010 /nfs/dbraw/zinc/53/60/10/479536010.db2.gz ORFVLWFJKXXWDZ-UHFFFAOYSA-N 1 0 342.399 2.781 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000589513595 479536134 /nfs/dbraw/zinc/53/61/34/479536134.db2.gz KEGATDXVUQTWCL-QGZVFWFLSA-N 1 0 348.399 2.772 10 5 EFBERO CCOC1CC2(C1)CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC000589518530 479537164 /nfs/dbraw/zinc/53/71/64/479537164.db2.gz SNQIIOJSFFGSCI-UHFFFAOYSA-N 1 0 348.399 2.772 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1 ZINC000589515661 479537291 /nfs/dbraw/zinc/53/72/91/479537291.db2.gz XUCBCNSRWAJCGH-QGZVFWFLSA-N 1 0 336.388 2.772 10 5 EFBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594043766 479564354 /nfs/dbraw/zinc/56/43/54/479564354.db2.gz OOCACAINOIHROL-CVEARBPZSA-N 1 0 335.404 2.861 10 5 EFBERO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594045731 479566081 /nfs/dbraw/zinc/56/60/81/479566081.db2.gz YZRONQRCQWLGJB-HOCLYGCPSA-N 1 0 335.404 2.779 10 5 EFBERO CCCC[N@H+](C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104178 479574575 /nfs/dbraw/zinc/57/45/75/479574575.db2.gz OXJSVKYMQHFVMZ-UHFFFAOYSA-N 1 0 343.815 2.684 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594106494 479589961 /nfs/dbraw/zinc/58/99/61/479589961.db2.gz ZJHIYBRUHRFJLO-BZPMIXESSA-N 1 0 337.445 2.532 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590052933 479597305 /nfs/dbraw/zinc/59/73/05/479597305.db2.gz QRWBQCKEUGZGRP-BBRMVZONSA-N 1 0 344.440 2.854 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CSC)C2)c1 ZINC000590054824 479597389 /nfs/dbraw/zinc/59/73/89/479597389.db2.gz RLADDNCUHQPIQS-LBPRGKRZSA-N 1 0 338.429 2.956 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000590053070 479597740 /nfs/dbraw/zinc/59/77/40/479597740.db2.gz WIWMGAYCIPJWOS-WMLDXEAASA-N 1 0 327.384 2.991 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000597172760 479605070 /nfs/dbraw/zinc/60/50/70/479605070.db2.gz CCBPAYLHHATVRL-IHWMJMDHSA-N 1 0 327.388 2.612 10 5 EFBERO CO[C@]1(CO)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597187540 479612242 /nfs/dbraw/zinc/61/22/42/479612242.db2.gz NONXQCOTIKJOKA-GOSISDBHSA-N 1 0 346.383 2.828 10 5 EFBERO CN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1=O ZINC000597214213 479623366 /nfs/dbraw/zinc/62/33/66/479623366.db2.gz NBGJXBCOBDMMQJ-UHFFFAOYSA-N 1 0 345.424 2.987 10 5 EFBERO CC(C)c1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000615193546 479626076 /nfs/dbraw/zinc/62/60/76/479626076.db2.gz LUPJCRZUSJWJJA-UHFFFAOYSA-N 1 0 345.403 2.729 10 5 EFBERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303190 479651772 /nfs/dbraw/zinc/65/17/72/479651772.db2.gz GHFCTHZDBLHTQR-UGSOOPFHSA-N 1 0 349.434 2.846 10 5 EFBERO COC(=O)c1c(Cl)c(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000590575482 479662039 /nfs/dbraw/zinc/66/20/39/479662039.db2.gz HERGLEXVGGOOIM-JTQLQIEISA-N 1 0 341.795 2.565 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000590582826 479662617 /nfs/dbraw/zinc/66/26/17/479662617.db2.gz GETFFEKPFLFMDT-SNVBAGLBSA-N 1 0 341.795 2.929 10 5 EFBERO CCC(=O)c1ccc(Nc2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000619479096 479806570 /nfs/dbraw/zinc/80/65/70/479806570.db2.gz NFJAETOTUCWARO-UHFFFAOYSA-N 1 0 331.376 2.689 10 5 EFBERO Cc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[NH+](C)C)cc1 ZINC000619570538 479831286 /nfs/dbraw/zinc/83/12/86/479831286.db2.gz BTKXXFSUSAHEFP-QGZVFWFLSA-N 1 0 344.415 2.693 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609833858 480211128 /nfs/dbraw/zinc/21/11/28/480211128.db2.gz YWRRTQFTWCBDFG-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000614272476 480251796 /nfs/dbraw/zinc/25/17/96/480251796.db2.gz ZLLWWZQEINZQIV-UHFFFAOYSA-N 1 0 333.344 2.988 10 5 EFBERO CCc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000610434291 480304850 /nfs/dbraw/zinc/30/48/50/480304850.db2.gz AWARITUSJNHPTP-UHFFFAOYSA-N 1 0 337.339 2.990 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000610446384 480307947 /nfs/dbraw/zinc/30/79/47/480307947.db2.gz WFXZMQVQNOFLCM-CQSZACIVSA-N 1 0 342.399 2.660 10 5 EFBERO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccncc1 ZINC000610517838 480328303 /nfs/dbraw/zinc/32/83/03/480328303.db2.gz WTCGVFWDWPVSMX-LBPRGKRZSA-N 1 0 329.356 2.654 10 5 EFBERO C[C@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000617758194 480354510 /nfs/dbraw/zinc/35/45/10/480354510.db2.gz JMRFMSWFHKZESH-CYBMUJFWSA-N 1 0 337.423 2.751 10 5 EFBERO COc1cc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000191675918 533882198 /nfs/dbraw/zinc/88/21/98/533882198.db2.gz KEPKYLWJUZGILV-QGZVFWFLSA-N 1 0 338.404 2.730 10 5 EFBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187990643 534264686 /nfs/dbraw/zinc/26/46/86/534264686.db2.gz KXBKPWCFGWDLQR-PXAZEXFGSA-N 1 0 346.387 2.628 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000131960355 534320132 /nfs/dbraw/zinc/32/01/32/534320132.db2.gz JWNBCBAXBXYBHZ-AWEZNQCLSA-N 1 0 347.802 2.899 10 5 EFBERO CCOc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000176979529 520890843 /nfs/dbraw/zinc/89/08/43/520890843.db2.gz JSQBLQCKKMKKOW-CQSZACIVSA-N 1 0 335.404 2.550 10 5 EFBERO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000121206878 520981234 /nfs/dbraw/zinc/98/12/34/520981234.db2.gz LZOVUPDONQFNPS-UHFFFAOYSA-N 1 0 348.428 2.945 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177418797 521630000 /nfs/dbraw/zinc/63/00/00/521630000.db2.gz MSLJKSSWPHWULD-XJKSGUPXSA-N 1 0 334.420 2.782 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179659963 521750737 /nfs/dbraw/zinc/75/07/37/521750737.db2.gz QXQUXXXFXOGRCO-CYBMUJFWSA-N 1 0 335.429 2.627 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614499 522524420 /nfs/dbraw/zinc/52/44/20/522524420.db2.gz XNRUPOCJXYKSMC-OLZOCXBDSA-N 1 0 329.404 2.723 10 5 EFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632159 522527832 /nfs/dbraw/zinc/52/78/32/522527832.db2.gz ZLUYHHAVXHTTQL-DZGCQCFKSA-N 1 0 329.404 2.804 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171292 523317982 /nfs/dbraw/zinc/31/79/82/523317982.db2.gz LIQRCVUOPJDIKM-RDJZCZTQSA-N 1 0 331.416 2.613 10 5 EFBERO CN1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000180585801 524013237 /nfs/dbraw/zinc/01/32/37/524013237.db2.gz VAUWWCAIWANVGM-QFBILLFUSA-N 1 0 339.395 2.895 10 5 EFBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccco2)C1 ZINC000245573529 524507926 /nfs/dbraw/zinc/50/79/26/524507926.db2.gz CZUOWZAKXKBDAW-UKRRQHHQSA-N 1 0 331.372 2.823 10 5 EFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245907785 524689695 /nfs/dbraw/zinc/68/96/95/524689695.db2.gz QVBVILFWDRCIQJ-GUYCJALGSA-N 1 0 342.399 2.918 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193077164 525456848 /nfs/dbraw/zinc/45/68/48/525456848.db2.gz ITVSBTXMRCAUHS-UHFFFAOYSA-N 1 0 333.432 2.911 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194809365 525558288 /nfs/dbraw/zinc/55/82/88/525558288.db2.gz YUXZLYIRNGWIBW-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518370 526922657 /nfs/dbraw/zinc/92/26/57/526922657.db2.gz IKFAQPQDNYTQRU-CQSZACIVSA-N 1 0 346.387 2.620 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225912 527394484 /nfs/dbraw/zinc/39/44/84/527394484.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 1 0 345.443 2.577 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000183298715 527526766 /nfs/dbraw/zinc/52/67/66/527526766.db2.gz CQVFMCFVLQUZOI-DTXSUPOZSA-N 1 0 343.427 2.941 10 5 EFBERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363128 527854758 /nfs/dbraw/zinc/85/47/58/527854758.db2.gz MCLIWDRVEOEQJA-IAGOWNOFSA-N 1 0 334.416 2.655 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000181165903 528329831 /nfs/dbraw/zinc/32/98/31/528329831.db2.gz PDJGEOUMZAGKPI-CYBMUJFWSA-N 1 0 337.445 2.871 10 5 EFBERO CC(C)n1c(Sc2ccc([N+](=O)[O-])nc2)nnc1C1CC[NH2+]CC1 ZINC000344429578 535048140 /nfs/dbraw/zinc/04/81/40/535048140.db2.gz IJBCGSVMTUVKII-UHFFFAOYSA-N 1 0 348.432 2.780 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cccs1 ZINC000357218585 536363894 /nfs/dbraw/zinc/36/38/94/536363894.db2.gz HYTIKJNHGLZUHT-XHDPSFHLSA-N 1 0 348.428 2.797 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000353775966 536476706 /nfs/dbraw/zinc/47/67/06/536476706.db2.gz JMQMQTXBVSWBSE-GFCCVEGCSA-N 1 0 336.388 2.815 10 5 EFBERO COc1cc(C[NH2+][C@@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000352906064 536811793 /nfs/dbraw/zinc/81/17/93/536811793.db2.gz CKMMIADHTQIGPE-HNNXBMFYSA-N 1 0 348.346 2.701 10 5 EFBERO COc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000194315635 537080816 /nfs/dbraw/zinc/08/08/16/537080816.db2.gz IPYUQJDTAVDBNG-CQSZACIVSA-N 1 0 347.415 2.694 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000754255467 575411538 /nfs/dbraw/zinc/41/15/38/575411538.db2.gz CBLRPHNZUKWQSA-MLFXKNMZSA-N 1 0 329.400 2.693 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754414744 575433297 /nfs/dbraw/zinc/43/32/97/575433297.db2.gz KCGQEYHLBLDJHX-XGWPRKDGSA-N 1 0 331.416 2.939 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754868971 575506653 /nfs/dbraw/zinc/50/66/53/575506653.db2.gz HRBKBVFVBKNMJF-UHFFFAOYSA-N 1 0 332.335 2.751 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000755308790 575572903 /nfs/dbraw/zinc/57/29/03/575572903.db2.gz ASRVQPLMUBNLML-MOJYJUKOSA-N 1 0 329.400 2.551 10 5 EFBERO Cn1c(C(=O)OCCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000757955114 575856735 /nfs/dbraw/zinc/85/67/35/575856735.db2.gz ODIMPMMQXCMXGT-UHFFFAOYSA-N 1 0 331.372 2.612 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294602 576141999 /nfs/dbraw/zinc/14/19/99/576141999.db2.gz YFVNJAZXWGRXRH-CJNGLKHVSA-N 1 0 330.388 2.711 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849333 577082637 /nfs/dbraw/zinc/08/26/37/577082637.db2.gz OLOQXTWRQXYZNK-MLGOLLRUSA-N 1 0 344.367 2.750 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850347 577083037 /nfs/dbraw/zinc/08/30/37/577083037.db2.gz XLNGQOIDBDPLCQ-XHDPSFHLSA-N 1 0 330.340 2.708 10 5 EFBERO CC[N@H+](CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC000726594477 577374834 /nfs/dbraw/zinc/37/48/34/577374834.db2.gz AYGFVXIPPSPYIJ-CLFYSBASSA-N 1 0 335.404 2.923 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000771240997 581191934 /nfs/dbraw/zinc/19/19/34/581191934.db2.gz UUGUOICBNJKIPV-ZDUSSCGKSA-N 1 0 337.395 2.911 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000771576169 581224394 /nfs/dbraw/zinc/22/43/94/581224394.db2.gz NTABHKWZOUAEHR-LLVKDONJSA-N 1 0 325.796 2.851 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579675 581494567 /nfs/dbraw/zinc/49/45/67/581494567.db2.gz HKYPCINFYQQZEA-QWHCGFSZSA-N 1 0 336.461 2.604 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579657 581494575 /nfs/dbraw/zinc/49/45/75/581494575.db2.gz HKYPCINFYQQZEA-CHWSQXEVSA-N 1 0 336.461 2.604 10 5 EFBERO Cc1c(F)cccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691327330 1248660273 /nfs/dbraw/zinc/66/02/73/1248660273.db2.gz NDESRHPAAIWKJK-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC(C)c1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691440880 1249031971 /nfs/dbraw/zinc/03/19/71/1249031971.db2.gz GVXQWJNWRWOMLU-UHFFFAOYSA-N 1 0 344.415 2.908 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000823754708 1265424856 /nfs/dbraw/zinc/42/48/56/1265424856.db2.gz GDEVYTPQUSVSKT-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[C@H]1Cc2cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000922308057 1265435104 /nfs/dbraw/zinc/43/51/04/1265435104.db2.gz VHHVIRHQDPBDGF-DJJJIMSYSA-N 1 0 342.395 2.916 10 5 EFBERO CC[N@H+](CCNC(=O)c1scnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691009500 1247921007 /nfs/dbraw/zinc/92/10/07/1247921007.db2.gz AFJMKLDNYAKGKU-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001687333883 1248260294 /nfs/dbraw/zinc/26/02/94/1248260294.db2.gz NNENIKSJKDYKMW-UONOGXRCSA-N 1 0 334.420 2.527 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1Cl ZINC001691303051 1248631382 /nfs/dbraw/zinc/63/13/82/1248631382.db2.gz JABFWIXMJRIBTH-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490807 1250505212 /nfs/dbraw/zinc/50/52/12/1250505212.db2.gz GZQPGVQPPHHSST-MLMJSJRWSA-N 1 0 338.351 2.865 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850539698 1250528166 /nfs/dbraw/zinc/52/81/66/1250528166.db2.gz FJGIODKBVHDYTD-YLQAJVPDSA-N 1 0 343.431 2.973 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000850716010 1250575140 /nfs/dbraw/zinc/57/51/40/1250575140.db2.gz QOGFHHZXLKCHCD-VTGMHELGSA-N 1 0 343.427 2.989 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000850716009 1250575547 /nfs/dbraw/zinc/57/55/47/1250575547.db2.gz QOGFHHZXLKCHCD-KDVLCQBISA-N 1 0 343.427 2.989 10 5 EFBERO COc1ccc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000922531262 1266208339 /nfs/dbraw/zinc/20/83/39/1266208339.db2.gz UHAQWWFICZRDIM-RUCARUNLSA-N 1 0 342.395 2.786 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(OC)CCSC1 ZINC000922572046 1266276082 /nfs/dbraw/zinc/27/60/82/1266276082.db2.gz RDXBBHQHULCTBX-OAHLLOKOSA-N 1 0 326.418 2.605 10 5 EFBERO O=[N+]([O-])c1c(Cl)ncnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC000715651752 1261251525 /nfs/dbraw/zinc/25/15/25/1261251525.db2.gz GOXHWUXEBHBPLD-UHFFFAOYSA-N 1 0 333.779 2.582 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCOC3)cc1[N+](=O)[O-] ZINC000921819400 1261826997 /nfs/dbraw/zinc/82/69/97/1261826997.db2.gz ZBEDQKFSYXFLRX-LBPRGKRZSA-N 1 0 330.388 2.560 10 5 EFBERO CCC(=O)NC1(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001486485332 1263225578 /nfs/dbraw/zinc/22/55/78/1263225578.db2.gz GQKLEZYHLXHYLR-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000736285145 1267567837 /nfs/dbraw/zinc/56/78/37/1267567837.db2.gz HJHHFJCACHXEEI-ZDUSSCGKSA-N 1 0 340.811 2.699 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000742412365 1270039187 /nfs/dbraw/zinc/03/91/87/1270039187.db2.gz PUNJFXNVONRXBM-LFHSMUGYSA-N 1 0 333.388 2.676 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000843963890 1278684205 /nfs/dbraw/zinc/68/42/05/1278684205.db2.gz GNBPYDUCNMWCRD-INIZCTEOSA-N 1 0 338.383 2.788 10 5 EFBERO C[C@@H](CO)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCC1 ZINC001169703872 1273107882 /nfs/dbraw/zinc/10/78/82/1273107882.db2.gz DBJRIMMORSUDDJ-LBPRGKRZSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)CC2 ZINC000844160286 1278790537 /nfs/dbraw/zinc/79/05/37/1278790537.db2.gz GVKALAHZXKBQGS-OAHLLOKOSA-N 1 0 343.358 2.674 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378589 1278955174 /nfs/dbraw/zinc/95/51/74/1278955174.db2.gz LKHSBQYLSSYSBP-GWCFXTLKSA-N 1 0 343.811 2.573 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000844382741 1278958539 /nfs/dbraw/zinc/95/85/39/1278958539.db2.gz IAZIKUUHEMNRIV-GFCCVEGCSA-N 1 0 348.296 2.995 10 5 EFBERO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746674812 1275750462 /nfs/dbraw/zinc/75/04/62/1275750462.db2.gz JPOJZLAAHZSEGV-INIZCTEOSA-N 1 0 339.411 2.667 10 5 EFBERO COCC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844431386 1278998352 /nfs/dbraw/zinc/99/83/52/1278998352.db2.gz DTXWAKRGKXFGJS-UHFFFAOYSA-N 1 0 341.839 2.791 10 5 EFBERO COc1ccc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000923010173 1276519041 /nfs/dbraw/zinc/51/90/41/1276519041.db2.gz LETNVPIVPSIQAL-UWUNEBHHSA-N 1 0 342.395 2.786 10 5 EFBERO Cc1cc(C)cc([C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000819045509 1276580068 /nfs/dbraw/zinc/58/00/68/1276580068.db2.gz DNZBDWXNBHYPDA-SFHVURJKSA-N 1 0 330.384 2.914 10 5 EFBERO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819090987 1276601245 /nfs/dbraw/zinc/60/12/45/1276601245.db2.gz AUGRWICGJVFQNO-QGZVFWFLSA-N 1 0 333.363 2.775 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000923058325 1276691550 /nfs/dbraw/zinc/69/15/50/1276691550.db2.gz LAJZQCNWFMPIIQ-CQSZACIVSA-N 1 0 336.436 2.933 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000819927028 1276949698 /nfs/dbraw/zinc/94/96/98/1276949698.db2.gz UIEJRQPMEVZXLZ-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000844471064 1279026428 /nfs/dbraw/zinc/02/64/28/1279026428.db2.gz NKRVSEFJISAIAL-CQSZACIVSA-N 1 0 343.305 2.794 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCCN1CC ZINC000746985247 1277975236 /nfs/dbraw/zinc/97/52/36/1277975236.db2.gz QDTAHPRGFMRGSC-OAHLLOKOSA-N 1 0 336.388 2.911 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccnc1F ZINC000793281503 1279528856 /nfs/dbraw/zinc/52/88/56/1279528856.db2.gz QWYALIDQPWKZFB-LLVKDONJSA-N 1 0 332.335 2.636 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1cc(Cl)c(F)cc1[N+](=O)[O-])CCO2 ZINC000845579457 1279727281 /nfs/dbraw/zinc/72/72/81/1279727281.db2.gz RPFAEMAWZRUMDE-UHFFFAOYSA-N 1 0 343.786 2.688 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000793936349 1279940680 /nfs/dbraw/zinc/94/06/80/1279940680.db2.gz MHVFWLLIKHNBPG-NEPJUHHUSA-N 1 0 337.807 2.580 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846016898 1279977777 /nfs/dbraw/zinc/97/77/77/1279977777.db2.gz KGMDDTJPUJNGHJ-KDOFPFPSSA-N 1 0 335.448 2.950 10 5 EFBERO CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846016902 1279977876 /nfs/dbraw/zinc/97/78/76/1279977876.db2.gz KGMDDTJPUJNGHJ-RDTXWAMCSA-N 1 0 335.448 2.950 10 5 EFBERO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182119 1280060026 /nfs/dbraw/zinc/06/00/26/1280060026.db2.gz VJIRIERIPXRUBA-BFUOFWGJSA-N 1 0 341.411 2.704 10 5 EFBERO COC(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872026958 1287404503 /nfs/dbraw/zinc/40/45/03/1287404503.db2.gz JCQIYUFPZPXBAI-SNVBAGLBSA-N 1 0 325.340 2.615 10 5 EFBERO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019577 1287401183 /nfs/dbraw/zinc/40/11/83/1287401183.db2.gz WXIQZYRMUUQPPB-MCIONIFRSA-N 1 0 339.411 2.884 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048605 1287411197 /nfs/dbraw/zinc/41/11/97/1287411197.db2.gz KFKLBCUNMPWULF-TUAOUCFPSA-N 1 0 344.408 2.740 10 5 EFBERO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066042 1287418057 /nfs/dbraw/zinc/41/80/57/1287418057.db2.gz JGXUGCOSLLUWSZ-GFCCVEGCSA-N 1 0 345.378 2.844 10 5 EFBERO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088402 1287424996 /nfs/dbraw/zinc/42/49/96/1287424996.db2.gz NYAWAZARDQZODC-GXTWGEPZSA-N 1 0 337.395 2.638 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872108472 1287430538 /nfs/dbraw/zinc/43/05/38/1287430538.db2.gz ZPCBTRMIWYKVIN-IUODEOHRSA-N 1 0 335.404 2.717 10 5 EFBERO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872110756 1287432234 /nfs/dbraw/zinc/43/22/34/1287432234.db2.gz PCHNPSVTPZQNRL-ZETCQYMHSA-N 1 0 343.252 2.999 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000872118365 1287434343 /nfs/dbraw/zinc/43/43/43/1287434343.db2.gz YLUCHERIMYKQTL-CHWSQXEVSA-N 1 0 336.388 2.987 10 5 EFBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000846989781 1280675457 /nfs/dbraw/zinc/67/54/57/1280675457.db2.gz USAIIKVCWPXZFW-WCRPCQDQSA-N 1 0 331.416 2.941 10 5 EFBERO Cc1c(Cc2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000872176432 1287463257 /nfs/dbraw/zinc/46/32/57/1287463257.db2.gz UKMPDQHMFQETNL-WSROAFLRSA-N 1 0 328.372 2.890 10 5 EFBERO O=C(C[N@@H+]1CC[C@H](C2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001171332913 1281631437 /nfs/dbraw/zinc/63/14/37/1281631437.db2.gz UWAVKBVHQRCUQW-INIZCTEOSA-N 1 0 343.427 2.996 10 5 EFBERO CC[NH+](CC)CCCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808561346 1281796282 /nfs/dbraw/zinc/79/62/82/1281796282.db2.gz GMVOUKXKNRHYTP-UHFFFAOYSA-N 1 0 330.331 2.691 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC4(CC3)OCCO4)c2c1 ZINC000808728011 1281875989 /nfs/dbraw/zinc/87/59/89/1281875989.db2.gz LYYHMOOSKRIDOF-UHFFFAOYSA-N 1 0 345.399 2.894 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809727974 1282409001 /nfs/dbraw/zinc/40/90/01/1282409001.db2.gz FWTRVNCVZZELTO-UHFFFAOYSA-N 1 0 330.344 2.777 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000810556550 1283337484 /nfs/dbraw/zinc/33/74/84/1283337484.db2.gz PUBOEKFTKFMZAT-MRXNPFEDSA-N 1 0 342.342 2.990 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000810537975 1283359597 /nfs/dbraw/zinc/35/95/97/1283359597.db2.gz PEZOVHBQJAEFJJ-HNNXBMFYSA-N 1 0 327.331 2.885 10 5 EFBERO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626554 1287644388 /nfs/dbraw/zinc/64/43/88/1287644388.db2.gz GZBUHTUQNASHDY-QMTHXVAHSA-N 1 0 331.347 2.970 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001176028204 1287662418 /nfs/dbraw/zinc/66/24/18/1287662418.db2.gz KJAWXUZSIMQOBL-SNVBAGLBSA-N 1 0 334.763 2.933 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000811444851 1284320238 /nfs/dbraw/zinc/32/02/38/1284320238.db2.gz MOZMUGPYCZLZKI-INIZCTEOSA-N 1 0 342.342 2.990 10 5 EFBERO CC[NH+](CC)Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)o1 ZINC001132960165 1284545915 /nfs/dbraw/zinc/54/59/15/1284545915.db2.gz PLGNRKMRBWQONM-UHFFFAOYSA-N 1 0 348.359 2.686 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1CCOC1 ZINC000812290173 1285025286 /nfs/dbraw/zinc/02/52/86/1285025286.db2.gz AUBJNGQHJDTMTG-QGZVFWFLSA-N 1 0 330.388 2.915 10 5 EFBERO Cc1noc(C2CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000813858599 1286146513 /nfs/dbraw/zinc/14/65/13/1286146513.db2.gz AUERWYMWGSYZSO-XUJLQICISA-N 1 0 346.387 2.636 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001179398716 1289122185 /nfs/dbraw/zinc/12/21/85/1289122185.db2.gz MDWGXVWXXGOKJV-GJZGRUSLSA-N 1 0 333.432 2.935 10 5 EFBERO CCOc1cc(C[N@@H+]2CCC[C@H](c3cn(C)nn3)C2)ccc1[N+](=O)[O-] ZINC001176879583 1288158733 /nfs/dbraw/zinc/15/87/33/1288158733.db2.gz LUHLTPQQQURSCN-AWEZNQCLSA-N 1 0 345.403 2.502 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)CN2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027038 1288233463 /nfs/dbraw/zinc/23/34/63/1288233463.db2.gz BMAQPPJTKKXGQC-QGZVFWFLSA-N 1 0 334.322 2.965 10 5 EFBERO COc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823604901 1289380843 /nfs/dbraw/zinc/38/08/43/1289380843.db2.gz GDRILFOVGGUHNB-SFHVURJKSA-N 1 0 330.384 2.943 10 5 EFBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136839417 1289576608 /nfs/dbraw/zinc/57/66/08/1289576608.db2.gz HYSWZJQLEJNPRP-LLVKDONJSA-N 1 0 325.796 2.662 10 5 EFBERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824559431 1289699987 /nfs/dbraw/zinc/69/99/87/1289699987.db2.gz UCCDSFZQZNXXAT-ZDUSSCGKSA-N 1 0 337.203 2.779 10 5 EFBERO C[NH+]1CCC(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001185170860 1290608616 /nfs/dbraw/zinc/60/86/16/1290608616.db2.gz PCKXNRKEAJRIDN-UHFFFAOYSA-N 1 0 334.807 2.972 10 5 EFBERO Cn1cc([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)n1 ZINC001185968469 1290802439 /nfs/dbraw/zinc/80/24/39/1290802439.db2.gz HSFRSDXAEJCFOP-UHFFFAOYSA-N 1 0 344.419 2.602 10 5 EFBERO Cn1c2ccccc2c(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1=O ZINC001186790010 1291018866 /nfs/dbraw/zinc/01/88/66/1291018866.db2.gz FKHUYQOTDWAVTK-KGLIPLIRSA-N 1 0 344.415 2.587 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660504 1291745693 /nfs/dbraw/zinc/74/56/93/1291745693.db2.gz UJBMEACREJIAEM-KKXDTOCCSA-N 1 0 330.384 2.730 10 5 EFBERO Cc1cccc([C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001167004921 1312879803 /nfs/dbraw/zinc/87/98/03/1312879803.db2.gz LXONHBILNFPIAB-LJQANCHMSA-N 1 0 341.411 2.759 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000880507304 1292523501 /nfs/dbraw/zinc/52/35/01/1292523501.db2.gz NFWOHPWAIHNZDS-AEFFLSMTSA-N 1 0 347.415 2.923 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882819916 1293338079 /nfs/dbraw/zinc/33/80/79/1293338079.db2.gz XSKFLDZCLOUCKE-ZDUSSCGKSA-N 1 0 340.383 2.908 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nnc(N)o2)CC1 ZINC001195719163 1294010859 /nfs/dbraw/zinc/01/08/59/1294010859.db2.gz CNOPHLNQYLKOTM-LLVKDONJSA-N 1 0 331.376 2.809 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c([N+](=O)[O-])cc1OC ZINC000886288729 1294818985 /nfs/dbraw/zinc/81/89/85/1294818985.db2.gz GNWLBKJXHAVCBE-CYBMUJFWSA-N 1 0 336.388 2.661 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c([N+](=O)[O-])cc1OC ZINC000886288730 1294820001 /nfs/dbraw/zinc/82/00/01/1294820001.db2.gz GNWLBKJXHAVCBE-ZDUSSCGKSA-N 1 0 336.388 2.661 10 5 EFBERO COc1cc(CN2CC[N@H+](C)C[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001198084041 1294868172 /nfs/dbraw/zinc/86/81/72/1294868172.db2.gz FJJNVTDRORCVOM-AWEZNQCLSA-N 1 0 339.411 2.905 10 5 EFBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001198218138 1294925947 /nfs/dbraw/zinc/92/59/47/1294925947.db2.gz CWZQBWNRRQFSIN-GOSISDBHSA-N 1 0 348.374 2.696 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001234568524 1313160300 /nfs/dbraw/zinc/16/03/00/1313160300.db2.gz FZGSPWRVBITLSO-KRWDZBQOSA-N 1 0 348.447 2.823 10 5 EFBERO C/C(=C/C(=O)N1CCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000889222939 1295706999 /nfs/dbraw/zinc/70/69/99/1295706999.db2.gz GYTJZCQHTXSXTN-YPKPFQOOSA-N 1 0 329.400 2.695 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000777322820 1295999543 /nfs/dbraw/zinc/99/95/43/1295999543.db2.gz ULWAVNOANWQNLQ-SFHVURJKSA-N 1 0 340.379 2.955 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691702907 1296296330 /nfs/dbraw/zinc/29/63/30/1296296330.db2.gz KFXVHPNRSLGBGS-MXYRBXQYSA-N 1 0 331.416 2.936 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001276215196 1296659623 /nfs/dbraw/zinc/65/96/23/1296659623.db2.gz SQLPYQRGEQCTPR-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000903940768 1313453614 /nfs/dbraw/zinc/45/36/14/1313453614.db2.gz DJRXCRGSRXZRFJ-HYXAFXHYSA-N 1 0 330.413 2.582 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000903941265 1313455103 /nfs/dbraw/zinc/45/51/03/1313455103.db2.gz VFBSSWJJVKHLGJ-UHFFFAOYSA-N 1 0 338.820 2.722 10 5 EFBERO [NH3+][C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903982877 1313534845 /nfs/dbraw/zinc/53/48/45/1313534845.db2.gz YHLLYVAKPPAERP-UXOHQCDBSA-N 1 0 329.322 2.820 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000852086964 1299541765 /nfs/dbraw/zinc/54/17/65/1299541765.db2.gz YNLAYWHOICTEEL-QAPCUYQASA-N 1 0 327.384 2.903 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000852205167 1299595439 /nfs/dbraw/zinc/59/54/39/1299595439.db2.gz VIOFBMWDXFTYSF-HDJSIYSDSA-N 1 0 344.358 2.940 10 5 EFBERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000852358829 1299674705 /nfs/dbraw/zinc/67/47/05/1299674705.db2.gz DLTOFWPGQZIVPO-SWLSCSKDSA-N 1 0 334.420 2.828 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000776590210 1299685683 /nfs/dbraw/zinc/68/56/83/1299685683.db2.gz CQEUXPKEDZGKDV-SFHVURJKSA-N 1 0 334.416 2.767 10 5 EFBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590098 1299687209 /nfs/dbraw/zinc/68/72/09/1299687209.db2.gz CDXKCLZDFUJGLJ-XVGQJIODSA-N 1 0 342.395 2.952 10 5 EFBERO Cc1c[nH]cc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001276379340 1313672861 /nfs/dbraw/zinc/67/28/61/1313672861.db2.gz BLAMNNIHIYKUSZ-UHFFFAOYSA-N 1 0 336.417 2.545 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](CCC1CC1)CC1CC1 ZINC000853605352 1300189145 /nfs/dbraw/zinc/18/91/45/1300189145.db2.gz DRYJMQKVNMHZDH-UHFFFAOYSA-N 1 0 331.372 2.972 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853748270 1300256567 /nfs/dbraw/zinc/25/65/67/1300256567.db2.gz KRTUIXORDDNXOZ-ZDUSSCGKSA-N 1 0 348.403 2.836 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000855363160 1300929456 /nfs/dbraw/zinc/92/94/56/1300929456.db2.gz ZCLAYOMZCQSZIA-NSHDSACASA-N 1 0 325.796 2.723 10 5 EFBERO CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000855489597 1300978311 /nfs/dbraw/zinc/97/83/11/1300978311.db2.gz AVMQIAMYJQAZPT-AINHQSCGSA-N 1 0 331.416 2.941 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859287723 1301418222 /nfs/dbraw/zinc/41/82/22/1301418222.db2.gz ZGEYNORBCYHXMM-CYBMUJFWSA-N 1 0 327.384 2.820 10 5 EFBERO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)[C@H]1[NH3+] ZINC000859593359 1301502008 /nfs/dbraw/zinc/50/20/08/1301502008.db2.gz FFTWULXXMCWTGY-PRXAMGSTSA-N 1 0 327.384 2.946 10 5 EFBERO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859775605 1301575388 /nfs/dbraw/zinc/57/53/88/1301575388.db2.gz XDGMJPMKCJXEOJ-ZDUSSCGKSA-N 1 0 327.384 2.820 10 5 EFBERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010669 1301673229 /nfs/dbraw/zinc/67/32/29/1301673229.db2.gz GUENBNGMTAAALA-KPZWWZAWSA-N 1 0 339.395 2.961 10 5 EFBERO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000861344941 1302085722 /nfs/dbraw/zinc/08/57/22/1302085722.db2.gz WGQHZPSLNZMSRP-DYVFJYSZSA-N 1 0 348.355 2.607 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000861344943 1302087417 /nfs/dbraw/zinc/08/74/17/1302087417.db2.gz WGQHZPSLNZMSRP-SUMWQHHRSA-N 1 0 348.355 2.607 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347202 1302093451 /nfs/dbraw/zinc/09/34/51/1302093451.db2.gz HHOORPMJJAUPSM-NONGLAFWSA-N 1 0 348.399 2.651 10 5 EFBERO COc1c(C(=O)OCC23CCC[NH+](CCC2)C3)cccc1[N+](=O)[O-] ZINC000861360718 1302105591 /nfs/dbraw/zinc/10/55/91/1302105591.db2.gz FOQAZGOQRJFMRO-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@@H]2C1 ZINC000861807863 1302210076 /nfs/dbraw/zinc/21/00/76/1302210076.db2.gz GLRHYCHWXMGMRB-SUMWQHHRSA-N 1 0 325.368 2.524 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862119181 1302290704 /nfs/dbraw/zinc/29/07/04/1302290704.db2.gz QBQFORYQPNHLEX-UHFFFAOYSA-N 1 0 327.812 2.956 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862154680 1302298312 /nfs/dbraw/zinc/29/83/12/1302298312.db2.gz SBPDWKKGTWUMJD-SNVBAGLBSA-N 1 0 325.796 2.851 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862792611 1302460973 /nfs/dbraw/zinc/46/09/73/1302460973.db2.gz AXDSQFBCQYPRRP-UKYUDJEDSA-N 1 0 331.416 2.846 10 5 EFBERO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000863481540 1302628239 /nfs/dbraw/zinc/62/82/39/1302628239.db2.gz GTHYPUPFYQOZLT-ZDUSSCGKSA-N 1 0 340.221 2.732 10 5 EFBERO Cc1cccc2c1C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000863569277 1302653406 /nfs/dbraw/zinc/65/34/06/1302653406.db2.gz SZNWRRHJMVRQNI-PBHICJAKSA-N 1 0 328.368 2.530 10 5 EFBERO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000864618617 1303000872 /nfs/dbraw/zinc/00/08/72/1303000872.db2.gz NDUBRJDXVCYOEA-SECBINFHSA-N 1 0 326.784 2.758 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn(C4CC4)cn3)c2c1 ZINC000865572231 1303315282 /nfs/dbraw/zinc/31/52/82/1303315282.db2.gz LXXPECZZMMGHEQ-UHFFFAOYSA-N 1 0 325.372 2.940 10 5 EFBERO C[NH+](C)CC1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865630805 1303342544 /nfs/dbraw/zinc/34/25/44/1303342544.db2.gz HCAHZPYLEZUHCM-UHFFFAOYSA-N 1 0 325.384 2.759 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865693863 1303367751 /nfs/dbraw/zinc/36/77/51/1303367751.db2.gz RJNKDXXKDBZDAY-UIQMYNOKSA-N 1 0 340.326 2.709 10 5 EFBERO COCCN(C)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000865787709 1303401509 /nfs/dbraw/zinc/40/15/09/1303401509.db2.gz RJNNXYWKRGYHJI-UHFFFAOYSA-N 1 0 344.415 2.671 10 5 EFBERO COC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n(C)c1C ZINC000865788144 1303401581 /nfs/dbraw/zinc/40/15/81/1303401581.db2.gz ZYELTMWJQHDNJG-UHFFFAOYSA-N 1 0 331.372 2.627 10 5 EFBERO COc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000865878795 1303436283 /nfs/dbraw/zinc/43/62/83/1303436283.db2.gz AZXQOBYSMHKXKM-UHFFFAOYSA-N 1 0 343.383 2.873 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1ncccc1[N+](=O)[O-])Cc1ccccc12 ZINC000866017414 1303489996 /nfs/dbraw/zinc/48/99/96/1303489996.db2.gz SEURFICVBGXCDH-UHFFFAOYSA-N 1 0 338.411 2.973 10 5 EFBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])nc1)Cc1ccccc12 ZINC000866016688 1303490007 /nfs/dbraw/zinc/49/00/07/1303490007.db2.gz RSGWQULGRAMNTF-UHFFFAOYSA-N 1 0 338.411 2.973 10 5 EFBERO C[NH+]1CCC2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866055592 1303504867 /nfs/dbraw/zinc/50/48/67/1303504867.db2.gz ZHQUACDVIVPWQD-UHFFFAOYSA-N 1 0 341.415 2.850 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000866057435 1303506373 /nfs/dbraw/zinc/50/63/73/1303506373.db2.gz IKQWLSYMRHYUCP-UHFFFAOYSA-N 1 0 349.366 2.949 10 5 EFBERO CC(C)NC(=O)c1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113675 1303529693 /nfs/dbraw/zinc/52/96/93/1303529693.db2.gz CAKZNGPVMSSNHA-UHFFFAOYSA-N 1 0 348.447 2.654 10 5 EFBERO CCOC(=O)Cc1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113228 1303529878 /nfs/dbraw/zinc/52/98/78/1303529878.db2.gz VKJWRUKLVMZRPR-UHFFFAOYSA-N 1 0 349.431 2.621 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208565 1303563670 /nfs/dbraw/zinc/56/36/70/1303563670.db2.gz UCGKHVNGYPCHLL-ZYHUDNBSSA-N 1 0 340.221 2.888 10 5 EFBERO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000866257609 1303582643 /nfs/dbraw/zinc/58/26/43/1303582643.db2.gz XXXOIAUEIUEXNH-UHFFFAOYSA-N 1 0 339.823 2.797 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000867990302 1304063394 /nfs/dbraw/zinc/06/33/94/1304063394.db2.gz MPMXQRDHSQZEKK-QGZVFWFLSA-N 1 0 325.368 2.963 10 5 EFBERO CC(C)(CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000867994928 1304066002 /nfs/dbraw/zinc/06/60/02/1304066002.db2.gz HWLLYYGILHXOKO-AWEZNQCLSA-N 1 0 329.347 2.566 10 5 EFBERO Cc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000867996334 1304067064 /nfs/dbraw/zinc/06/70/64/1304067064.db2.gz YBPUZPPCBOYIIC-INIZCTEOSA-N 1 0 325.368 2.754 10 5 EFBERO COCCC1(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868043309 1304092803 /nfs/dbraw/zinc/09/28/03/1304092803.db2.gz FXIZOTSRVAIASZ-UHFFFAOYSA-N 1 0 349.431 2.607 10 5 EFBERO Cc1cc(F)cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000868048535 1304095544 /nfs/dbraw/zinc/09/55/44/1304095544.db2.gz ATXRIIQLXXFMAM-LBPRGKRZSA-N 1 0 343.358 2.820 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000868160335 1304162726 /nfs/dbraw/zinc/16/27/26/1304162726.db2.gz FLQRMCBZLSBEJV-UHFFFAOYSA-N 1 0 334.420 2.657 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868763206 1304461124 /nfs/dbraw/zinc/46/11/24/1304461124.db2.gz FGLJRHRUNRWKJM-AWEZNQCLSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000869055743 1304593268 /nfs/dbraw/zinc/59/32/68/1304593268.db2.gz WQLRXUDGQXDKIB-GDBMZVCRSA-N 1 0 346.431 2.671 10 5 EFBERO CC[C@@H](C[NH+](C)C)OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000870550375 1305392617 /nfs/dbraw/zinc/39/26/17/1305392617.db2.gz FRZMCGSVAXCJQH-JTQLQIEISA-N 1 0 342.417 2.822 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000870572591 1305406206 /nfs/dbraw/zinc/40/62/06/1305406206.db2.gz UJYJZZAXRIANKY-UHFFFAOYSA-N 1 0 337.395 2.989 10 5 EFBERO O=C(CCC12CC(C1)C[NH2+]2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000870908361 1305674459 /nfs/dbraw/zinc/67/44/59/1305674459.db2.gz HTFYAYKSBBNPMM-UHFFFAOYSA-N 1 0 329.400 2.618 10 5 EFBERO C[C@](N)(C(=O)N1CCC[C@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870956748 1305708326 /nfs/dbraw/zinc/70/83/26/1305708326.db2.gz GYDUSDBMCACDFS-KBXCAEBGSA-N 1 0 331.416 2.807 10 5 EFBERO Cc1sc(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870991593 1305732276 /nfs/dbraw/zinc/73/22/76/1305732276.db2.gz GQBWTWZFQDJITL-HNNXBMFYSA-N 1 0 325.434 2.802 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1(C)C ZINC000871149893 1305835517 /nfs/dbraw/zinc/83/55/17/1305835517.db2.gz IKTSYGRLVBAYGT-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871150349 1305838537 /nfs/dbraw/zinc/83/85/37/1305838537.db2.gz OGOWPOPYFGWGDY-UHFFFAOYSA-N 1 0 348.447 2.730 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1(C)C ZINC000871154972 1305846776 /nfs/dbraw/zinc/84/67/76/1305846776.db2.gz MINWSOXRZDAYHK-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO CCOc1ccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000871355669 1306016005 /nfs/dbraw/zinc/01/60/05/1306016005.db2.gz MFWOTEZIDSTICT-UHFFFAOYSA-N 1 0 349.431 2.986 10 5 EFBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871356801 1306018145 /nfs/dbraw/zinc/01/81/45/1306018145.db2.gz WMELUKCRHUAYHB-UHFFFAOYSA-N 1 0 348.447 2.654 10 5 EFBERO Cc1cc(OCC(=O)NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000871360001 1306020103 /nfs/dbraw/zinc/02/01/03/1306020103.db2.gz DDMFCZUJSAMHKJ-UHFFFAOYSA-N 1 0 349.431 2.661 10 5 EFBERO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000900663643 1308492486 /nfs/dbraw/zinc/49/24/86/1308492486.db2.gz VYBBCGJCZGOYRN-ZDUSSCGKSA-N 1 0 341.770 2.554 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000751725222 1311133165 /nfs/dbraw/zinc/13/31/65/1311133165.db2.gz HHNPZELFBXAKMM-GOFCXVBSSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1coc(C)c1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277049678 1311532451 /nfs/dbraw/zinc/53/24/51/1311532451.db2.gz RCGXMJDATVLCIV-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO CC(C)(C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001277171205 1311749496 /nfs/dbraw/zinc/74/94/96/1311749496.db2.gz VRAXZWUCCBJUCL-UHFFFAOYSA-N 1 0 341.358 2.625 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001162597739 1312132513 /nfs/dbraw/zinc/13/25/13/1312132513.db2.gz KDDFIVSYARHARD-BXUZGUMPSA-N 1 0 335.433 2.885 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001162658815 1312145425 /nfs/dbraw/zinc/14/54/25/1312145425.db2.gz AUNXIRGGNLZJCW-QWHCGFSZSA-N 1 0 335.404 2.975 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1(C)C ZINC001163571323 1312340204 /nfs/dbraw/zinc/34/02/04/1312340204.db2.gz JYYPHMVLXICDKY-HZPDHXFCSA-N 1 0 346.431 2.628 10 5 EFBERO COc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1OC ZINC001163721674 1312372233 /nfs/dbraw/zinc/37/22/33/1312372233.db2.gz NFRIBGYNTVXRHI-HZPDHXFCSA-N 1 0 335.404 2.897 10 5 EFBERO CC(C)[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC001163729267 1312373767 /nfs/dbraw/zinc/37/37/67/1312373767.db2.gz SMJYRXBOQULHEV-KRWDZBQOSA-N 1 0 343.431 2.675 10 5 EFBERO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163900996 1312405047 /nfs/dbraw/zinc/40/50/47/1312405047.db2.gz HNGCGBVAASTMCJ-CJNGLKHVSA-N 1 0 341.415 2.873 10 5 EFBERO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001231412084 1312492879 /nfs/dbraw/zinc/49/28/79/1312492879.db2.gz OHYQCDOWORCCHT-HOTGVXAUSA-N 1 0 334.420 2.829 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001164400608 1312509129 /nfs/dbraw/zinc/50/91/29/1312509129.db2.gz GDAJCCDDZPHZMA-SNVBAGLBSA-N 1 0 341.795 2.565 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001164412944 1312510328 /nfs/dbraw/zinc/51/03/28/1312510328.db2.gz SSDQSSMGOPKGSV-OAHLLOKOSA-N 1 0 333.338 2.894 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269705 1312525472 /nfs/dbraw/zinc/52/54/72/1312525472.db2.gz BCANERPNMCWZRP-WHOFXGATSA-N 1 0 339.436 2.964 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(OC)CCSC1 ZINC000903314883 1312562857 /nfs/dbraw/zinc/56/28/57/1312562857.db2.gz CUOJVBFKTBNCGV-NHYWBVRUSA-N 1 0 326.418 2.776 10 5 EFBERO CC(C)O[C@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000903357942 1312595153 /nfs/dbraw/zinc/59/51/53/1312595153.db2.gz QIWLTYZNLFGNLF-GUYCJALGSA-N 1 0 340.395 2.839 10 5 EFBERO CC(C)O[C@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000903357941 1312595415 /nfs/dbraw/zinc/59/54/15/1312595415.db2.gz QIWLTYZNLFGNLF-DYVFJYSZSA-N 1 0 340.395 2.839 10 5 EFBERO Cc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001254240343 1315686454 /nfs/dbraw/zinc/68/64/54/1315686454.db2.gz HDQFGWOUVIHWPG-OAHLLOKOSA-N 1 0 348.447 2.967 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC001261655409 1316423839 /nfs/dbraw/zinc/42/38/39/1316423839.db2.gz VSEGNBKPUNCFPD-YOEHRIQHSA-N 1 0 349.406 2.940 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001263843458 1316568691 /nfs/dbraw/zinc/56/86/91/1316568691.db2.gz ACYIPPFWOOGNCU-GASCZTMLSA-N 1 0 331.416 2.769 10 5 EFBERO CC(C)c1ccc(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001263857514 1316569230 /nfs/dbraw/zinc/56/92/30/1316569230.db2.gz HUUXELHKTHZQAG-GOSISDBHSA-N 1 0 331.416 2.934 10 5 EFBERO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)cc1[N+](=O)[O-] ZINC001263884722 1316572136 /nfs/dbraw/zinc/57/21/36/1316572136.db2.gz ABYZOBAPWOEUIK-APHBMKBZSA-N 1 0 331.416 2.640 10 5 EFBERO O=C(CCC1CC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001264387652 1316610612 /nfs/dbraw/zinc/61/06/12/1316610612.db2.gz VMWMHHAULHGHDW-IYBDPMFKSA-N 1 0 331.416 2.769 10 5 EFBERO CC/C=C(/C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264416390 1316614323 /nfs/dbraw/zinc/61/43/23/1316614323.db2.gz XAXFDMPNUKSMIH-HSCLRTMUSA-N 1 0 331.416 2.936 10 5 EFBERO CC[N@H+](CCCNC(=O)c1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC001265099558 1316720689 /nfs/dbraw/zinc/72/06/89/1316720689.db2.gz DXWSYUKZRCWGEF-UHFFFAOYSA-N 1 0 344.415 2.575 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265119335 1316726182 /nfs/dbraw/zinc/72/61/82/1316726182.db2.gz CQQWVUVITBASOE-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1cc[nH]c1 ZINC001318637114 1328658064 /nfs/dbraw/zinc/65/80/64/1328658064.db2.gz WJYMOPLHIBNWSQ-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO CC(C)=C(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265720597 1316865979 /nfs/dbraw/zinc/86/59/79/1316865979.db2.gz KODBYKLTOUGGQQ-DZFIZOCASA-N 1 0 343.427 2.888 10 5 EFBERO CC[N@H+](CCCNC(=O)C(C)(C)F)Cc1ccccc1[N+](=O)[O-] ZINC001266013426 1316952355 /nfs/dbraw/zinc/95/23/55/1316952355.db2.gz AOAWSXIGCUGRCX-UHFFFAOYSA-N 1 0 325.384 2.671 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266054014 1316980079 /nfs/dbraw/zinc/98/00/79/1316980079.db2.gz FNSKMJLEAYAUEW-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC=CC1 ZINC001316620534 1318960835 /nfs/dbraw/zinc/96/08/35/1318960835.db2.gz NWJNSKKRHGDSLJ-IYBDPMFKSA-N 1 0 343.427 2.936 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001290034218 1321866823 /nfs/dbraw/zinc/86/68/23/1321866823.db2.gz ANWMHTSNAPRHPY-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001293745745 1322341187 /nfs/dbraw/zinc/34/11/87/1322341187.db2.gz PKQCPKOYTPRLBZ-CQSZACIVSA-N 1 0 347.415 2.551 10 5 EFBERO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001295035671 1322621985 /nfs/dbraw/zinc/62/19/85/1322621985.db2.gz BZPOKNIJCOHTOI-GFCCVEGCSA-N 1 0 339.823 2.986 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001296125529 1322856120 /nfs/dbraw/zinc/85/61/20/1322856120.db2.gz BVKXEULVJIPZOX-CYBMUJFWSA-N 1 0 325.796 2.851 10 5 EFBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296232830 1322871296 /nfs/dbraw/zinc/87/12/96/1322871296.db2.gz WTRUDDPEZGVQDO-STQMWFEESA-N 1 0 346.431 2.560 10 5 EFBERO CC[N@H+](C)[C@@H]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001307236588 1323369529 /nfs/dbraw/zinc/36/95/29/1323369529.db2.gz ZNZBBOQYEFXPCV-GFCCVEGCSA-N 1 0 330.388 2.682 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001299821862 1323709016 /nfs/dbraw/zinc/70/90/16/1323709016.db2.gz MESACNNASQYALK-UONOGXRCSA-N 1 0 339.823 2.636 10 5 EFBERO C[N@H+](CCNC(=O)c1occc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001492406119 1324489100 /nfs/dbraw/zinc/48/91/00/1324489100.db2.gz ZXIMLEDIJPIAHY-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301122409 1324524763 /nfs/dbraw/zinc/52/47/63/1324524763.db2.gz RDJKXQWVDXCQTJ-CQSZACIVSA-N 1 0 335.379 2.698 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C(C)(C)C1 ZINC001304042399 1324633672 /nfs/dbraw/zinc/63/36/72/1324633672.db2.gz IGXYIOFHEYDSBQ-CQSZACIVSA-N 1 0 337.445 2.777 10 5 EFBERO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1CCC[C@H](C)C1 ZINC001306931472 1324733300 /nfs/dbraw/zinc/73/33/00/1324733300.db2.gz XKRVRJYBBGXUMN-VHSXEESVSA-N 1 0 349.357 2.879 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001307166037 1324746969 /nfs/dbraw/zinc/74/69/69/1324746969.db2.gz YKZOIIQKLBDLDJ-HOTGVXAUSA-N 1 0 347.415 2.975 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001307166038 1324747105 /nfs/dbraw/zinc/74/71/05/1324747105.db2.gz YKZOIIQKLBDLDJ-HZPDHXFCSA-N 1 0 347.415 2.975 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C3(C(F)(F)F)CC[NH2+]CC3)n2)c1 ZINC001339280769 1324761751 /nfs/dbraw/zinc/76/17/51/1324761751.db2.gz IFYDSTXPJQUYPB-UHFFFAOYSA-N 1 0 342.277 2.828 10 5 EFBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC001307623160 1324775104 /nfs/dbraw/zinc/77/51/04/1324775104.db2.gz TXCIRERTWUIGGP-SNVBAGLBSA-N 1 0 334.763 2.933 10 5 EFBERO CS[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC001307662760 1324775835 /nfs/dbraw/zinc/77/58/35/1324775835.db2.gz WPLUZYGNANQKKA-IAGOWNOFSA-N 1 0 335.473 2.915 10 5 EFBERO CO[C@]1(C)C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001307780953 1324780226 /nfs/dbraw/zinc/78/02/26/1324780226.db2.gz YIIWIZVXOCOERB-SUMWQHHRSA-N 1 0 346.387 2.938 10 5 EFBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001308066561 1324791300 /nfs/dbraw/zinc/79/13/00/1324791300.db2.gz BYDGSFQSSSLKED-LBPRGKRZSA-N 1 0 329.356 2.893 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001308171154 1324798180 /nfs/dbraw/zinc/79/81/80/1324798180.db2.gz QFGLDHDYUQECIB-KDURUIRLSA-N 1 0 345.443 2.911 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001316821793 1325173125 /nfs/dbraw/zinc/17/31/25/1325173125.db2.gz QXIWYJMWKHWXOP-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO O=C(CC1CCCC1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001320950210 1329323629 /nfs/dbraw/zinc/32/36/29/1329323629.db2.gz ANOOOJYCKSYLTL-ARJAWSKDSA-N 1 0 331.416 2.937 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001320945412 1329323258 /nfs/dbraw/zinc/32/32/58/1329323258.db2.gz UZBRHSFCZJULCD-OWOJBTEDSA-N 1 0 343.358 2.810 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(F)CCCC1 ZINC001321123891 1329346322 /nfs/dbraw/zinc/34/63/22/1329346322.db2.gz CKZAUMNWBCSISS-WAYWQWQTSA-N 1 0 335.379 2.639 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C(C)(F)F)CC1 ZINC001317630123 1328212410 /nfs/dbraw/zinc/21/24/10/1328212410.db2.gz RHGLIZPMVOYNHQ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1F ZINC001317657570 1328245731 /nfs/dbraw/zinc/24/57/31/1328245731.db2.gz KDRNGFFCERDFEK-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1C=CC=CC=C1 ZINC001322528534 1329465184 /nfs/dbraw/zinc/46/51/84/1329465184.db2.gz MALVTRWGLSKPAJ-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001322680106 1329478826 /nfs/dbraw/zinc/47/88/26/1329478826.db2.gz DPOSKUAWVGHQLR-ZIAGYGMSSA-N 1 0 335.404 2.596 10 5 EFBERO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001322712060 1329482056 /nfs/dbraw/zinc/48/20/56/1329482056.db2.gz PSSGUXAMDAOWTI-JKSUJKDBSA-N 1 0 330.388 2.679 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC001323371020 1329538736 /nfs/dbraw/zinc/53/87/36/1329538736.db2.gz PDHHBCQRKAAPIQ-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001327199469 1330440828 /nfs/dbraw/zinc/44/08/28/1330440828.db2.gz DZERKAKWGBENMI-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327555389 1330497360 /nfs/dbraw/zinc/49/73/60/1330497360.db2.gz HFXTXJJDLCPKQJ-SFHVURJKSA-N 1 0 349.406 2.692 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001332818532 1331031881 /nfs/dbraw/zinc/03/18/81/1331031881.db2.gz HHUAHMRHKDKPQJ-ZDUSSCGKSA-N 1 0 337.395 2.657 10 5 EFBERO COC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001333095029 1331077488 /nfs/dbraw/zinc/07/74/88/1331077488.db2.gz ZEGFHNUNIXDMBT-HUUCEWRRSA-N 1 0 335.404 2.975 10 5 EFBERO CC[C@@H](C[N+](=O)[O-])OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001346198204 1332610305 /nfs/dbraw/zinc/61/03/05/1332610305.db2.gz SXTQWJYQKHYRCJ-INIZCTEOSA-N 1 0 334.416 2.887 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001347131914 1332719164 /nfs/dbraw/zinc/71/91/64/1332719164.db2.gz GZCYKJLYNJHIIX-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001348856611 1332877288 /nfs/dbraw/zinc/87/72/88/1332877288.db2.gz SDFASLQQFSYJDG-ZDUSSCGKSA-N 1 0 339.461 2.924 10 5 EFBERO CCOc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC001348901290 1332882597 /nfs/dbraw/zinc/88/25/97/1332882597.db2.gz VUJCWSZUMXUDPP-UHFFFAOYSA-N 1 0 347.415 2.599 10 5 EFBERO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001349859994 1333006043 /nfs/dbraw/zinc/00/60/43/1333006043.db2.gz PBVVQAOWSOSXET-RYUDHWBXSA-N 1 0 336.392 2.550 10 5 EFBERO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001349859995 1333006077 /nfs/dbraw/zinc/00/60/77/1333006077.db2.gz PBVVQAOWSOSXET-VXGBXAGGSA-N 1 0 336.392 2.550 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001300704250 1334487467 /nfs/dbraw/zinc/48/74/67/1334487467.db2.gz CJJNMDZVCHDHLK-LBPRGKRZSA-N 1 0 339.823 2.780 10 5 EFBERO CC[C@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848475117 1334734745 /nfs/dbraw/zinc/73/47/45/1334734745.db2.gz LYKNPIFZFDAOLU-WMLDXEAASA-N 1 0 331.416 2.990 10 5 EFBERO CC(C)[C@@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475713 1334735103 /nfs/dbraw/zinc/73/51/03/1334735103.db2.gz STEKXDMPUPUAQV-SJORKVTESA-N 1 0 331.416 2.989 10 5 EFBERO CC(C)C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000848475774 1334735178 /nfs/dbraw/zinc/73/51/78/1334735178.db2.gz RKMODFDLPHPOSR-KRWDZBQOSA-N 1 0 331.416 2.989 10 5 EFBERO CC(C)C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000848475775 1334735578 /nfs/dbraw/zinc/73/55/78/1334735578.db2.gz RKMODFDLPHPOSR-QGZVFWFLSA-N 1 0 331.416 2.989 10 5 EFBERO C[C@H]([N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1(C)CC1 ZINC000848481405 1334737357 /nfs/dbraw/zinc/73/73/57/1334737357.db2.gz CENYPWFEBDJLSY-XJKSGUPXSA-N 1 0 331.416 2.989 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000848489646 1334746489 /nfs/dbraw/zinc/74/64/89/1334746489.db2.gz WYYNPFIOHWEXQO-JZXOWHBKSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@@H]1CC(C)(C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489495 1334746616 /nfs/dbraw/zinc/74/66/16/1334746616.db2.gz VNEFHGOTMQMLLZ-CZUORRHYSA-N 1 0 331.416 2.989 10 5 EFBERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523338 1334771976 /nfs/dbraw/zinc/77/19/76/1334771976.db2.gz AINXDLDKGPHDDT-RDJZCZTQSA-N 1 0 328.368 2.914 10 5 EFBERO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561602 1334795895 /nfs/dbraw/zinc/79/58/95/1334795895.db2.gz AEMGMFKMPPUMRR-UPJWGTAASA-N 1 0 341.839 2.836 10 5 EFBERO O=C1O[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570531 1334799564 /nfs/dbraw/zinc/79/95/64/1334799564.db2.gz MAHNWYFUHTWVBU-GDBMZVCRSA-N 1 0 331.372 2.545 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001355880594 1334896568 /nfs/dbraw/zinc/89/65/68/1334896568.db2.gz DOPXEFDIKYYKPO-CQSZACIVSA-N 1 0 340.383 2.558 10 5 EFBERO COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535675 1335050181 /nfs/dbraw/zinc/05/01/81/1335050181.db2.gz VKTFWVNCXWYDAH-IAGOWNOFSA-N 1 0 334.347 2.745 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]12CC[N@H+](C1)CCC2 ZINC001438612024 1388698559 /nfs/dbraw/zinc/69/85/59/1388698559.db2.gz KHIGTZAHUFTRIO-QAPCUYQASA-N 1 0 331.416 2.518 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001457038728 1394935262 /nfs/dbraw/zinc/93/52/62/1394935262.db2.gz NLFAKETUQFQWHZ-MNOVXSKESA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001457079408 1394958832 /nfs/dbraw/zinc/95/88/32/1394958832.db2.gz BDRMUTAKZRRMAG-YOEHRIQHSA-N 1 0 346.431 2.512 10 5 EFBERO COc1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001458053838 1395400481 /nfs/dbraw/zinc/40/04/81/1395400481.db2.gz MJULLDAVGBNPAE-HNNXBMFYSA-N 1 0 345.403 2.586 10 5 EFBERO CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)[NH+]1CCCC1 ZINC001458102613 1395407225 /nfs/dbraw/zinc/40/72/25/1395407225.db2.gz ZNUHFIRYDOQJLT-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO COCC[N@H+](C)CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC001458102509 1395407405 /nfs/dbraw/zinc/40/74/05/1395407405.db2.gz YQHLZGZAEBDSIW-UHFFFAOYSA-N 1 0 346.225 2.738 10 5 EFBERO O=[N+]([O-])c1cc(CO)c(Nc2cnn(-c3cc[nH+]cc3)c2)cc1F ZINC001458155637 1395416735 /nfs/dbraw/zinc/41/67/35/1395416735.db2.gz DAEFJEBCJGBMKJ-UHFFFAOYSA-N 1 0 329.291 2.551 10 5 EFBERO CCOC(=O)c1ccnc(NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC001458481473 1395478554 /nfs/dbraw/zinc/47/85/54/1395478554.db2.gz LHMLCKVPVWCJOL-UHFFFAOYSA-N 1 0 338.408 2.556 10 5 EFBERO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC001458716179 1395561365 /nfs/dbraw/zinc/56/13/65/1395561365.db2.gz HEHZAKYXDNJYLP-AWEZNQCLSA-N 1 0 336.754 2.933 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001460752292 1396251582 /nfs/dbraw/zinc/25/15/82/1396251582.db2.gz DQTQSIYCBLIISH-DLBZAZTESA-N 1 0 336.351 2.662 10 5 EFBERO C[C@](CO)(Cc1ccccc1F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460863269 1396265974 /nfs/dbraw/zinc/26/59/74/1396265974.db2.gz WASCVCOZKGBTQZ-GOSISDBHSA-N 1 0 348.374 2.696 10 5 EFBERO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001462993466 1396465042 /nfs/dbraw/zinc/46/50/42/1396465042.db2.gz LXYOZSISUGWCFJ-MRXNPFEDSA-N 1 0 333.432 2.634 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001462995958 1396465101 /nfs/dbraw/zinc/46/51/01/1396465101.db2.gz BKTPVEBUYNMYMD-HNNXBMFYSA-N 1 0 348.447 2.586 10 5 EFBERO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC001464792018 1396607462 /nfs/dbraw/zinc/60/74/62/1396607462.db2.gz PALSSGGIXZNCSA-LLVKDONJSA-N 1 0 342.399 2.543 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001466056485 1396734169 /nfs/dbraw/zinc/73/41/69/1396734169.db2.gz MCPQMJUVCWXWJT-AAEUAGOBSA-N 1 0 339.823 2.985 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468970495 1396995259 /nfs/dbraw/zinc/99/52/59/1396995259.db2.gz OPQDODCWWNOYEV-UHFFFAOYSA-N 1 0 347.346 2.813 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(F)c1 ZINC001468971484 1396995283 /nfs/dbraw/zinc/99/52/83/1396995283.db2.gz HCZCVDHTEXQXOL-UHFFFAOYSA-N 1 0 332.335 2.630 10 5 EFBERO COc1ccc(OCC[N@H+](CCCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001473155650 1397286306 /nfs/dbraw/zinc/28/63/06/1397286306.db2.gz GLXHGUFBBCVNPI-UHFFFAOYSA-N 1 0 340.420 2.713 10 5 EFBERO CCOC(=O)C[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001473411100 1397301306 /nfs/dbraw/zinc/30/13/06/1397301306.db2.gz QNOLTIIGDIAFTF-KRWDZBQOSA-N 1 0 338.404 2.931 10 5 EFBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001479313734 1397680065 /nfs/dbraw/zinc/68/00/65/1397680065.db2.gz QCAMWIZDXIJOOY-OTVXOJSOSA-N 1 0 331.416 2.769 10 5 EFBERO CC(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479351513 1397700254 /nfs/dbraw/zinc/70/02/54/1397700254.db2.gz QZOSKUJSQOUSIU-AULYBMBSSA-N 1 0 325.434 2.687 10 5 EFBERO CC(C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480192707 1398161162 /nfs/dbraw/zinc/16/11/62/1398161162.db2.gz YZCBQNQQFLXXEE-BETUJISGSA-N 1 0 325.434 2.829 10 5 EFBERO CCC(=CC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1)CC ZINC001493512223 1398736583 /nfs/dbraw/zinc/73/65/83/1398736583.db2.gz GXSNTIAQUMXMKA-UHFFFAOYSA-N 1 0 325.434 2.951 10 5 EFBERO O=C(N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495454749 1399993575 /nfs/dbraw/zinc/99/35/75/1399993575.db2.gz AYTFJJKILCURCF-QBPKDAKJSA-N 1 0 337.464 2.639 10 5 EFBERO O=C(NCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001495498174 1400031279 /nfs/dbraw/zinc/03/12/79/1400031279.db2.gz LYTUYJHSJFRNPK-UHFFFAOYSA-N 1 0 337.445 2.785 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccco1 ZINC001496658553 1400905798 /nfs/dbraw/zinc/90/57/98/1400905798.db2.gz UFHGTKZZLODJRG-UHFFFAOYSA-N 1 0 345.399 2.711 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001497341521 1401315506 /nfs/dbraw/zinc/31/55/06/1401315506.db2.gz OHWNAMITVWPYDF-AATRIKPKSA-N 1 0 349.412 2.901 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001497368132 1401332157 /nfs/dbraw/zinc/33/21/57/1401332157.db2.gz SQNQXTZBPIDKBZ-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cocc1C ZINC001497434913 1401372711 /nfs/dbraw/zinc/37/27/11/1401372711.db2.gz VDKLVWVNPJTELM-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1occc1C ZINC001497453117 1401385521 /nfs/dbraw/zinc/38/55/21/1401385521.db2.gz RFOAJMMRVIFTDJ-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC001497530765 1401438824 /nfs/dbraw/zinc/43/88/24/1401438824.db2.gz PRABXKIAXIPBLK-OWOJBTEDSA-N 1 0 349.774 2.917 10 5 EFBERO O=C(CCC(F)(F)F)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001499188752 1402514903 /nfs/dbraw/zinc/51/49/03/1402514903.db2.gz AXGGNNUHJJDLDV-UHFFFAOYSA-N 1 0 345.321 2.676 10 5 EFBERO CC(C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)=C1CCC1 ZINC001499221913 1402526811 /nfs/dbraw/zinc/52/68/11/1402526811.db2.gz ORYVBJOFDSDYPT-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001499346060 1402575343 /nfs/dbraw/zinc/57/53/43/1402575343.db2.gz VSJBHTHJISVZIB-UHFFFAOYSA-N 1 0 341.358 2.625 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)[nH]1 ZINC001499346110 1402575895 /nfs/dbraw/zinc/57/58/95/1402575895.db2.gz WHDSZSPJSXYZST-UHFFFAOYSA-N 1 0 348.790 2.629 10 5 EFBERO CC(C)(F)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508187585 1407332295 /nfs/dbraw/zinc/33/22/95/1407332295.db2.gz KQHVPZXCRLZPPG-UHFFFAOYSA-N 1 0 335.379 2.591 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558767016 1415200368 /nfs/dbraw/zinc/20/03/68/1415200368.db2.gz FFGJEEANPXFIDT-KBPBESRZSA-N 1 0 337.445 2.991 10 5 EFBERO CN(CCCC[NH+](C)C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001559270395 1415235767 /nfs/dbraw/zinc/23/57/67/1415235767.db2.gz PCEMEZASELQHIK-UHFFFAOYSA-N 1 0 337.811 2.969 10 5 EFBERO C[N@H+](CCOc1ccc2c(c1)OCO2)CCc1cccc([N+](=O)[O-])c1 ZINC001559782574 1415255420 /nfs/dbraw/zinc/25/54/20/1415255420.db2.gz SIFCLINLBKIEPM-UHFFFAOYSA-N 1 0 344.367 2.877 10 5 EFBERO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CCO ZINC001559982587 1415260180 /nfs/dbraw/zinc/26/01/80/1415260180.db2.gz SEPLNTYSMAMQJC-OCCSQVGLSA-N 1 0 346.387 2.628 10 5 EFBERO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001560175800 1415266528 /nfs/dbraw/zinc/26/65/28/1415266528.db2.gz DTTYJTZRISEVOI-NSHDSACASA-N 1 0 325.796 2.548 10 5 EFBERO COc1ccc(OCC[NH2+]C2([C@H]3CCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001560227608 1415268107 /nfs/dbraw/zinc/26/81/07/1415268107.db2.gz RRVCOFODADCCFU-MRXNPFEDSA-N 1 0 336.388 2.674 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377015 1415376250 /nfs/dbraw/zinc/37/62/50/1415376250.db2.gz XSXLQLXAAKQAON-DJIMGWMZSA-N 1 0 346.431 2.782 10 5 EFBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001565800019 1415416698 /nfs/dbraw/zinc/41/66/98/1415416698.db2.gz VJRDBSKGDTXUDK-NSHDSACASA-N 1 0 325.796 2.662 10 5 EFBERO CC/C(C)=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001565864090 1415438323 /nfs/dbraw/zinc/43/83/23/1415438323.db2.gz HEVJZRGBVQSQIJ-HRRGXOOESA-N 1 0 331.416 2.936 10 5 EFBERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565913625 1415448783 /nfs/dbraw/zinc/44/87/83/1415448783.db2.gz GYEPOVVWQZEAOH-SMDDNHRTSA-N 1 0 339.823 2.589 10 5 EFBERO CC[N@H+](CCCNC(=O)c1coc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001566548326 1415632117 /nfs/dbraw/zinc/63/21/17/1415632117.db2.gz FCVLDSQEVICTJT-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566848563 1415798312 /nfs/dbraw/zinc/79/83/12/1415798312.db2.gz QWQVUHHLIVKIQK-WVHJRZPWSA-N 1 0 329.400 2.854 10 5 EFBERO CC[N@H+](CCNC(=O)c1cnccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567328628 1416074596 /nfs/dbraw/zinc/07/45/96/1416074596.db2.gz GSLBNZWCVXRRHR-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001567356446 1416086996 /nfs/dbraw/zinc/08/69/96/1416086996.db2.gz WFTFKKHRPCATRR-LLVKDONJSA-N 1 0 325.796 2.851 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001567480688 1416154819 /nfs/dbraw/zinc/15/48/19/1416154819.db2.gz MJFICOGIFRPLMQ-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO CC(C)c1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001567539017 1416181048 /nfs/dbraw/zinc/18/10/48/1416181048.db2.gz JVSVCTWEWRNRHB-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC(C)(C)C1 ZINC001567548557 1416183094 /nfs/dbraw/zinc/18/30/94/1416183094.db2.gz NFJADUVYAPPRLJ-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CC2)C1 ZINC001568495423 1416543680 /nfs/dbraw/zinc/54/36/80/1416543680.db2.gz KVJLJQGKIXTKBL-UHFFFAOYSA-N 1 0 331.416 2.675 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001689926472 1417095764 /nfs/dbraw/zinc/09/57/64/1417095764.db2.gz JBCVAPDBGJRVCY-UHFFFAOYSA-N 1 0 344.415 2.575 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001699168059 1417409011 /nfs/dbraw/zinc/40/90/11/1417409011.db2.gz VULULQMFVXLWOJ-HJWRWDBZSA-N 1 0 343.383 2.839 10 5 EFBERO CC/C(C)=C\C(=O)N(CC)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001699180304 1417410534 /nfs/dbraw/zinc/41/05/34/1417410534.db2.gz FORWLQLXXFSMTO-WQLSENKSSA-N 1 0 325.434 2.951 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001699187157 1417411402 /nfs/dbraw/zinc/41/14/02/1417411402.db2.gz HNTZNTGHZOXIIR-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO CCC1(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001699296520 1417418153 /nfs/dbraw/zinc/41/81/53/1417418153.db2.gz ZXVXDCZOQHTAOS-ONEGZZNKSA-N 1 0 331.416 2.937 10 5 EFBERO CC(C)(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001699661967 1417442641 /nfs/dbraw/zinc/44/26/41/1417442641.db2.gz ARWMUXDAKKZMKR-UHFFFAOYSA-N 1 0 341.358 2.625 10 5 EFBERO CC(F)(F)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713162849 1418347099 /nfs/dbraw/zinc/34/70/99/1418347099.db2.gz QUHSYVDRVFAJKE-JOCQHMNTSA-N 1 0 341.358 2.767 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1C=CC=CC=C1 ZINC001716299078 1418758690 /nfs/dbraw/zinc/75/86/90/1418758690.db2.gz HBVVQLRSSKBFER-BQYQJAHWSA-N 1 0 339.395 2.655 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)o1 ZINC001716675600 1418954881 /nfs/dbraw/zinc/95/48/81/1418954881.db2.gz PBBDBGRDLMEDBM-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO O=C(C=C1CCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717149702 1419238674 /nfs/dbraw/zinc/23/86/74/1419238674.db2.gz ZHJZPAIYKPCNMT-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1=COCCC1 ZINC001717204475 1419264821 /nfs/dbraw/zinc/26/48/21/1419264821.db2.gz CQBDTYPENCQWKI-UHFFFAOYSA-N 1 0 347.415 2.569 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001723101847 1424424766 /nfs/dbraw/zinc/42/47/66/1424424766.db2.gz XEECDJODWLZVQJ-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO O=C(CCc1ccco1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001723493581 1424513149 /nfs/dbraw/zinc/51/31/49/1424513149.db2.gz ZRCSXGHYVNCHJO-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO CC(F)(F)CCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001723530980 1424518576 /nfs/dbraw/zinc/51/85/76/1424518576.db2.gz VGGLUBCKUNKHBV-UHFFFAOYSA-N 1 0 341.358 2.769 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001724794228 1425016984 /nfs/dbraw/zinc/01/69/84/1425016984.db2.gz AGIHHFOFVSIXBL-ZSHCYNCHSA-N 1 0 343.427 2.769 10 5 EFBERO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724882526 1425095093 /nfs/dbraw/zinc/09/50/93/1425095093.db2.gz DARCULIVEPFBOV-HZPDHXFCSA-N 1 0 337.464 2.593 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC1 ZINC001725136444 1425325464 /nfs/dbraw/zinc/32/54/64/1425325464.db2.gz GMWHRMKVGLWDPS-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804683115 713412022 /nfs/dbraw/zinc/41/20/22/713412022.db2.gz VQXZCVWEMJQMKM-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000804775763 713466514 /nfs/dbraw/zinc/46/65/14/713466514.db2.gz NHRYLMDPJADORP-VSOYFRJCSA-N 1 0 331.416 2.989 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000804778081 713466975 /nfs/dbraw/zinc/46/69/75/713466975.db2.gz QNDKTZNMEDOURK-VSOYFRJCSA-N 1 0 331.416 2.989 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000926057554 713789578 /nfs/dbraw/zinc/78/95/78/713789578.db2.gz YPENPXCXOFMAFA-RHSMWYFYSA-N 1 0 332.404 2.865 10 5 EFBERO CC[C@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893450940 715541111 /nfs/dbraw/zinc/54/11/11/715541111.db2.gz PFXZXXWALLREFZ-BBRMVZONSA-N 1 0 334.420 2.687 10 5 EFBERO C[C@@H]1C[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209323 716778019 /nfs/dbraw/zinc/77/80/19/716778019.db2.gz AOTNWHSPRHCVDL-ZWNOBZJWSA-N 1 0 342.237 2.930 10 5 EFBERO Cc1c(Br)c(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000166880483 717139292 /nfs/dbraw/zinc/13/92/92/717139292.db2.gz BZQXANZBJMEECD-SECBINFHSA-N 1 0 329.198 2.615 10 5 EFBERO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000925761933 717276025 /nfs/dbraw/zinc/27/60/25/717276025.db2.gz FSINLWYDTYZVIU-VXGBXAGGSA-N 1 0 328.210 2.717 10 5 EFBERO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762615 717348746 /nfs/dbraw/zinc/34/87/46/717348746.db2.gz MHURVECZVJFJKM-MFKMUULPSA-N 1 0 342.237 2.835 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COC1CC[NH+](C)CC1 ZINC000923788712 718381784 /nfs/dbraw/zinc/38/17/84/718381784.db2.gz MEHNRNXMTIJYMT-ZDUSSCGKSA-N 1 0 336.388 2.618 10 5 EFBERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000311533907 718753490 /nfs/dbraw/zinc/75/34/90/718753490.db2.gz YOZNASXUQJJONW-MWLCHTKSSA-N 1 0 329.194 2.872 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000893025317 719475024 /nfs/dbraw/zinc/47/50/24/719475024.db2.gz HJFKJVGPTPTDRI-VXGBXAGGSA-N 1 0 325.434 2.991 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841103624 720311778 /nfs/dbraw/zinc/31/17/78/720311778.db2.gz QVIQOWFKOACCBW-OAHLLOKOSA-N 1 0 338.795 2.856 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866891613 721486486 /nfs/dbraw/zinc/48/64/86/721486486.db2.gz KFUDHBRCMDWUMN-UHFFFAOYSA-N 1 0 337.395 2.513 10 5 EFBERO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(F)F ZINC000894316507 722079021 /nfs/dbraw/zinc/07/90/21/722079021.db2.gz MFUZRQJLXBHVMW-NDMJEZRESA-N 1 0 328.315 2.608 10 5 EFBERO CCc1[nH]c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894367960 722624972 /nfs/dbraw/zinc/62/49/72/722624972.db2.gz UVODIAWIMIDFGM-UHFFFAOYSA-N 1 0 331.372 2.604 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000894371243 722640021 /nfs/dbraw/zinc/64/00/21/722640021.db2.gz BATHJGDRJOPWPZ-NEPJUHHUSA-N 1 0 330.363 2.670 10 5 EFBERO Cn1nc2c(c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)CSCC2 ZINC000894678852 722813966 /nfs/dbraw/zinc/81/39/66/722813966.db2.gz FHEAHBPKXGLUNE-UHFFFAOYSA-N 1 0 346.456 2.792 10 5 EFBERO CC[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000895139556 723436757 /nfs/dbraw/zinc/43/67/57/723436757.db2.gz NYDXEIGCUJQWNG-VIFPVBQESA-N 1 0 334.294 2.902 10 5 EFBERO C[NH+](C)CC(C)(C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000909561018 723836794 /nfs/dbraw/zinc/83/67/94/723836794.db2.gz VFWPPFOURHLBLN-UHFFFAOYSA-N 1 0 327.812 2.637 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000895536586 724186398 /nfs/dbraw/zinc/18/63/98/724186398.db2.gz LTQGRJTYDXRKFP-KRWDZBQOSA-N 1 0 334.416 2.703 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC4(COC4)CC3)CC2)cn1 ZINC000895695364 724267331 /nfs/dbraw/zinc/26/73/31/724267331.db2.gz WBCURDXGJVDGQJ-UHFFFAOYSA-N 1 0 346.431 2.507 10 5 EFBERO C[NH+](C)CCCCCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130176209 725770810 /nfs/dbraw/zinc/77/08/10/725770810.db2.gz KKAHNHHCQSVXGF-UHFFFAOYSA-N 1 0 333.388 2.894 10 5 EFBERO CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188921 727002221 /nfs/dbraw/zinc/00/22/21/727002221.db2.gz OKTRLNLPKOSGNN-SFHVURJKSA-N 1 0 341.415 2.584 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907877554 727039976 /nfs/dbraw/zinc/03/99/76/727039976.db2.gz RXQHTSYDIYBSFQ-SECBINFHSA-N 1 0 331.775 2.847 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908127010 727105577 /nfs/dbraw/zinc/10/55/77/727105577.db2.gz VYIQPGJOXOLBGP-RDJZCZTQSA-N 1 0 331.416 2.613 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910280364 727426680 /nfs/dbraw/zinc/42/66/80/727426680.db2.gz AMFSSAXILXNNRB-IKESIWSLSA-N 1 0 331.416 2.941 10 5 EFBERO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+](CC)CC ZINC000911476177 727543911 /nfs/dbraw/zinc/54/39/11/727543911.db2.gz NVXQBTRLSRKILD-CYBMUJFWSA-N 1 0 329.347 2.610 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000912025833 727636823 /nfs/dbraw/zinc/63/68/23/727636823.db2.gz AKRMAYPDGOTCPZ-BETUJISGSA-N 1 0 335.404 2.548 10 5 EFBERO C[C@@H](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000912387325 727701013 /nfs/dbraw/zinc/70/10/13/727701013.db2.gz OIVSLYZAWXFDRY-NSHDSACASA-N 1 0 327.812 2.637 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912603377 727729410 /nfs/dbraw/zinc/72/94/10/727729410.db2.gz ZFUSFZHUPQXDKZ-KGLIPLIRSA-N 1 0 335.379 2.645 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875011 727753502 /nfs/dbraw/zinc/75/35/02/727753502.db2.gz MVVUEKQZEKGYME-INIZCTEOSA-N 1 0 345.443 2.860 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875758 727753752 /nfs/dbraw/zinc/75/37/52/727753752.db2.gz OVCUPKANHZRULZ-YPKPFQOOSA-N 1 0 329.400 2.695 10 5 EFBERO C[C@H](C(=O)N1CCC([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000912875638 727753807 /nfs/dbraw/zinc/75/38/07/727753807.db2.gz KPWGGBKYZPXTED-LBPRGKRZSA-N 1 0 335.379 2.534 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912882619 727754503 /nfs/dbraw/zinc/75/45/03/727754503.db2.gz OBSMUMWXUNMAMA-UHFFFAOYSA-N 1 0 335.429 2.627 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912913124 727757895 /nfs/dbraw/zinc/75/78/95/727757895.db2.gz HEMOJOMTJULGSA-LBPRGKRZSA-N 1 0 343.305 2.534 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000917086736 727767081 /nfs/dbraw/zinc/76/70/81/727767081.db2.gz OOLDSNFKIGZOCP-IZPAUZPXSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913272621 727811979 /nfs/dbraw/zinc/81/19/79/727811979.db2.gz BVBLSHBOKYPMRA-HDICACEKSA-N 1 0 331.416 2.625 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913274677 727812305 /nfs/dbraw/zinc/81/23/05/727812305.db2.gz OQOZUURXLARTSD-QZTJIDSGSA-N 1 0 331.416 2.625 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913282877 727815310 /nfs/dbraw/zinc/81/53/10/727815310.db2.gz CZXXLLKGNFUZGO-RTBURBONSA-N 1 0 345.443 2.934 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913293784 727817951 /nfs/dbraw/zinc/81/79/51/727817951.db2.gz CJAXZMKBGZWXHS-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000913294612 727818320 /nfs/dbraw/zinc/81/83/20/727818320.db2.gz ZQQFXOOHBLWCOR-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@]2(C)C1 ZINC000913296247 727818398 /nfs/dbraw/zinc/81/83/98/727818398.db2.gz XYGCCSQAYSCQJU-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000913397392 727831953 /nfs/dbraw/zinc/83/19/53/727831953.db2.gz HDPCFVNYOYKKHV-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO Cc1cnc(CC[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)s1 ZINC000165191971 728020570 /nfs/dbraw/zinc/02/05/70/728020570.db2.gz UKFRILFRZWXAKN-UHFFFAOYSA-N 1 0 331.401 2.841 10 5 EFBERO C[NH2+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165817594 728071910 /nfs/dbraw/zinc/07/19/10/728071910.db2.gz QARCROORPOZBIP-SNVBAGLBSA-N 1 0 343.225 2.639 10 5 EFBERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157886220 728246945 /nfs/dbraw/zinc/24/69/45/728246945.db2.gz VPQZCCQMPOBHEH-LBPRGKRZSA-N 1 0 342.237 2.931 10 5 EFBERO COC(=O)c1ccc(OCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000596070666 728339557 /nfs/dbraw/zinc/33/95/57/728339557.db2.gz HSIVNQXKJASRFS-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[NH+](C3CC3)CC2)c1Br ZINC000232470334 728663645 /nfs/dbraw/zinc/66/36/45/728663645.db2.gz UDTZTSABTCUWSL-UHFFFAOYSA-N 1 0 340.221 2.637 10 5 EFBERO CC(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)=C1CCC1 ZINC001569398652 1085180556 /nfs/dbraw/zinc/18/05/56/1085180556.db2.gz LDPDDUHHRZZIBD-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC1 ZINC001570668999 1086449596 /nfs/dbraw/zinc/44/95/96/1086449596.db2.gz IWEBNAIWOKJFIO-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(CF)CCC1 ZINC001571163704 1086672896 /nfs/dbraw/zinc/67/28/96/1086672896.db2.gz XYKQRDOBVDYJIH-SHTZXODSSA-N 1 0 349.406 2.719 10 5 EFBERO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(C)(C)C ZINC001646537001 1087851185 /nfs/dbraw/zinc/85/11/85/1087851185.db2.gz PPMOEOQRRKVUMG-OAHLLOKOSA-N 1 0 331.420 2.633 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646593015 1087901342 /nfs/dbraw/zinc/90/13/42/1087901342.db2.gz QYSYELNTWDBURX-JYJNAYRXSA-N 1 0 331.416 2.545 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001583736697 1092063079 /nfs/dbraw/zinc/06/30/79/1092063079.db2.gz ORQUUXOTMYKBBQ-CQSZACIVSA-N 1 0 349.431 2.844 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c(F)cccc1F ZINC001267014250 1092350256 /nfs/dbraw/zinc/35/02/56/1092350256.db2.gz TUPJJONEHVYQEA-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891548 1092611781 /nfs/dbraw/zinc/61/17/81/1092611781.db2.gz NKKOQKFFMIUUNW-HKFHSAMXSA-N 1 0 329.400 2.597 10 5 EFBERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001585916290 1092620894 /nfs/dbraw/zinc/62/08/94/1092620894.db2.gz ACGAKCFXWFQMBB-AWEZNQCLSA-N 1 0 348.447 2.929 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(F)c1 ZINC001670739200 1092722775 /nfs/dbraw/zinc/72/27/75/1092722775.db2.gz XIECSSGUENSQQE-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO O=C(NCCCNc1ccccn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001586799693 1092759688 /nfs/dbraw/zinc/75/96/88/1092759688.db2.gz FONTUKCSVGNKJL-UHFFFAOYSA-N 1 0 334.763 2.875 10 5 EFBERO O=C(Cc1ccsc1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001670742870 1092766111 /nfs/dbraw/zinc/76/61/11/1092766111.db2.gz WHYAJZTUAFWSNP-UHFFFAOYSA-N 1 0 345.424 2.637 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)o1 ZINC001670746410 1092824569 /nfs/dbraw/zinc/82/45/69/1092824569.db2.gz MJEZXNUQKLAKKG-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO CC[N@H+](CCNC(=O)c1csnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001267239466 1093325570 /nfs/dbraw/zinc/32/55/70/1093325570.db2.gz VUQBCWGBLJMITF-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc(C)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267311393 1093549956 /nfs/dbraw/zinc/54/99/56/1093549956.db2.gz QCFKLEBMZZWSMX-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001267314106 1093557555 /nfs/dbraw/zinc/55/75/55/1093557555.db2.gz IOHJJIIUTWXIQQ-HZPDHXFCSA-N 1 0 339.480 2.696 10 5 EFBERO Cc1cc[nH]c1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267326105 1093584673 /nfs/dbraw/zinc/58/46/73/1093584673.db2.gz MTJOYDOJRRJCJB-UHFFFAOYSA-N 1 0 342.399 2.626 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)C1CC1 ZINC001267368835 1094332625 /nfs/dbraw/zinc/33/26/25/1094332625.db2.gz GOGOFEADHWDICX-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cnc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC001267406815 1094491895 /nfs/dbraw/zinc/49/18/95/1094491895.db2.gz CUKKATPKJQGCTA-UHFFFAOYSA-N 1 0 348.428 2.530 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001596173902 1094517459 /nfs/dbraw/zinc/51/74/59/1094517459.db2.gz UGUJLFKPPXONKP-AWEZNQCLSA-N 1 0 334.420 2.683 10 5 EFBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccoc1 ZINC001481157849 1095037588 /nfs/dbraw/zinc/03/75/88/1095037588.db2.gz QJXYXHAHIVXVHN-UHFFFAOYSA-N 1 0 329.356 2.582 10 5 EFBERO C/C(=C\C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785357611 1095117731 /nfs/dbraw/zinc/11/77/31/1095117731.db2.gz HCBKTCVJZKVLMP-AYYGCFCKSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001481205867 1095433434 /nfs/dbraw/zinc/43/34/34/1095433434.db2.gz IZDIVSSCDKWUOB-UHFFFAOYSA-N 1 0 337.401 2.728 10 5 EFBERO CC[N@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001480994434 1095698706 /nfs/dbraw/zinc/69/87/06/1095698706.db2.gz ILNQTPPIJWSHLK-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001268431515 1096588479 /nfs/dbraw/zinc/58/84/79/1096588479.db2.gz JPAQFMVBIOCGRV-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO CC(C)C(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001481993980 1097066833 /nfs/dbraw/zinc/06/68/33/1097066833.db2.gz DWTAORIYGOXUFN-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001268507587 1097067470 /nfs/dbraw/zinc/06/74/70/1097067470.db2.gz TXCKXXHFDAARKZ-PLNGDYQASA-N 1 0 331.416 2.937 10 5 EFBERO Cc1ccc(CC(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001268529408 1097131934 /nfs/dbraw/zinc/13/19/34/1097131934.db2.gz RRMNAZFYRBDFAP-NSCUHMNNSA-N 1 0 343.383 2.501 10 5 EFBERO Cc1cocc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268579006 1097271482 /nfs/dbraw/zinc/27/14/82/1097271482.db2.gz MVLUCIIZOQAGNG-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001268588788 1097307736 /nfs/dbraw/zinc/30/77/36/1097307736.db2.gz VMAPGKBZSJVJOA-OWOJBTEDSA-N 1 0 349.774 2.917 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001268778039 1097626294 /nfs/dbraw/zinc/62/62/94/1097626294.db2.gz RPUIRXYGKFDIGT-UHFFFAOYSA-N 1 0 339.442 2.970 10 5 EFBERO C/C(=C\C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001268781486 1097628458 /nfs/dbraw/zinc/62/84/58/1097628458.db2.gz AFHSYIUXOMSWCW-WYMLVPIESA-N 1 0 331.416 2.889 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1CCC1 ZINC001482208193 1097912927 /nfs/dbraw/zinc/91/29/27/1097912927.db2.gz QVMHKEXVLPKXFY-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(CCc1ccco1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269374919 1098101550 /nfs/dbraw/zinc/10/15/50/1098101550.db2.gz QNNHVJYJULMAIG-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO O=C(Cc1ccccc1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269436910 1098136699 /nfs/dbraw/zinc/13/66/99/1098136699.db2.gz GFKIMFSKNMIMJO-UHFFFAOYSA-N 1 0 339.395 2.576 10 5 EFBERO Cc1c(F)cccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481233030 1098623910 /nfs/dbraw/zinc/62/39/10/1098623910.db2.gz NRGJRNDWDVBSFX-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1C[NH+](C)C ZINC001626210394 1098765285 /nfs/dbraw/zinc/76/52/85/1098765285.db2.gz MTQIPRKUYPEBNR-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO Cc1cc(F)cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001481284249 1098866088 /nfs/dbraw/zinc/86/60/88/1098866088.db2.gz WEUPIPVVNUFORC-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001610922588 1098963012 /nfs/dbraw/zinc/96/30/12/1098963012.db2.gz FIOAWBZJJYWHQI-QWRGUYRKSA-N 1 0 331.376 2.530 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001610922586 1098963639 /nfs/dbraw/zinc/96/36/39/1098963639.db2.gz FIOAWBZJJYWHQI-GHMZBOCLSA-N 1 0 331.376 2.530 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001611179003 1098987418 /nfs/dbraw/zinc/98/74/18/1098987418.db2.gz YEWJXHJZXUJVNU-CYBMUJFWSA-N 1 0 339.823 2.780 10 5 EFBERO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001611245430 1098995357 /nfs/dbraw/zinc/99/53/57/1098995357.db2.gz QSZXXDRISNWGCW-IAGOWNOFSA-N 1 0 345.443 2.603 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001611336055 1099000430 /nfs/dbraw/zinc/00/04/30/1099000430.db2.gz VMEDHGJHAXLZOJ-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001611335194 1099001355 /nfs/dbraw/zinc/00/13/55/1099001355.db2.gz HGWCMVJIANPSMX-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CC[NH+]1CCC(N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001611401718 1099006660 /nfs/dbraw/zinc/00/66/60/1099006660.db2.gz XTUOPRPBDJSEIR-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO COC(=O)Cc1ccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001611794049 1099033447 /nfs/dbraw/zinc/03/34/47/1099033447.db2.gz LPDFVFDYHVLHRX-UONOGXRCSA-N 1 0 349.431 2.843 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001612445829 1099057899 /nfs/dbraw/zinc/05/78/99/1099057899.db2.gz GVHZNGQVJBCVCR-VIFPVBQESA-N 1 0 337.346 2.879 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC001612606621 1099070205 /nfs/dbraw/zinc/07/02/05/1099070205.db2.gz DBIYJZRBOXXUDW-KGLIPLIRSA-N 1 0 327.388 2.823 10 5 EFBERO CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001612753430 1099076879 /nfs/dbraw/zinc/07/68/79/1099076879.db2.gz FETUKSCAJSTEHC-GXSJLCMTSA-N 1 0 328.210 2.934 10 5 EFBERO CCO[C@@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001612879971 1099082834 /nfs/dbraw/zinc/08/28/34/1099082834.db2.gz ZIIRJDPDJRAZBE-NSHDSACASA-N 1 0 335.326 2.992 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001613060479 1099089768 /nfs/dbraw/zinc/08/97/68/1099089768.db2.gz VFEBJLQOCPJAPC-GJZGRUSLSA-N 1 0 335.452 2.819 10 5 EFBERO Cc1ccc(F)cc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481263270 1099154396 /nfs/dbraw/zinc/15/43/96/1099154396.db2.gz FDWMZTONXDETQK-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001617468917 1099241751 /nfs/dbraw/zinc/24/17/51/1099241751.db2.gz ZVIZUHXRYZRCDF-INIZCTEOSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)[N@H+]1C ZINC001618234757 1099286485 /nfs/dbraw/zinc/28/64/85/1099286485.db2.gz MSIYPYGNMJBBAP-PHIMTYICSA-N 1 0 342.237 2.882 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC001620524137 1099357284 /nfs/dbraw/zinc/35/72/84/1099357284.db2.gz LUALHQVVLRTRBT-BZSNNMDCSA-N 1 0 334.416 2.989 10 5 EFBERO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001620557395 1099359634 /nfs/dbraw/zinc/35/96/34/1099359634.db2.gz LABGISQQDSQORL-LBPRGKRZSA-N 1 0 343.387 2.681 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nncn2C)CC1 ZINC001620595699 1099361757 /nfs/dbraw/zinc/36/17/57/1099361757.db2.gz JSEVODLHTDBSJE-CYBMUJFWSA-N 1 0 329.404 2.739 10 5 EFBERO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc2c(c1)OCO2 ZINC001620587071 1099361873 /nfs/dbraw/zinc/36/18/73/1099361873.db2.gz RIGPAWYJVHCUPE-UHFFFAOYSA-N 1 0 344.367 2.877 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481351161 1099421767 /nfs/dbraw/zinc/42/17/67/1099421767.db2.gz WVMBNJYBFZXDJC-UHFFFAOYSA-N 1 0 344.415 2.953 10 5 EFBERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC001623968562 1099646795 /nfs/dbraw/zinc/64/67/95/1099646795.db2.gz SOHVXPDBIBOOCZ-HNNXBMFYSA-N 1 0 331.416 2.914 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001625402141 1099805884 /nfs/dbraw/zinc/80/58/84/1099805884.db2.gz HBHDOHWLQGYSPT-PXAZEXFGSA-N 1 0 334.420 2.539 10 5 EFBERO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001625489612 1099816559 /nfs/dbraw/zinc/81/65/59/1099816559.db2.gz QFCWXAVFSPPUFU-UHFFFAOYSA-N 1 0 349.778 2.819 10 5 EFBERO CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC001627324057 1099982506 /nfs/dbraw/zinc/98/25/06/1099982506.db2.gz GNPWJJANOQKKEH-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001627765645 1100031074 /nfs/dbraw/zinc/03/10/74/1100031074.db2.gz YILRXYIXRXHNIJ-CYBMUJFWSA-N 1 0 339.823 2.781 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001627990189 1100048557 /nfs/dbraw/zinc/04/85/57/1100048557.db2.gz HSVDQECUXNSGBY-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001630587928 1100320185 /nfs/dbraw/zinc/32/01/85/1100320185.db2.gz WOUUZILCDJCWQR-HUUCEWRRSA-N 1 0 349.456 2.676 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001630895617 1100352032 /nfs/dbraw/zinc/35/20/32/1100352032.db2.gz FZGHEJFFLRRCTN-UHFFFAOYSA-N 1 0 341.411 2.671 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001631057443 1100366052 /nfs/dbraw/zinc/36/60/52/1100366052.db2.gz NPHHVNMRIAFYMZ-KGLIPLIRSA-N 1 0 349.431 2.844 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001631523871 1100407406 /nfs/dbraw/zinc/40/74/06/1100407406.db2.gz UHZFLVUPIUTFLP-INIZCTEOSA-N 1 0 349.431 2.552 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC001631683327 1100418987 /nfs/dbraw/zinc/41/89/87/1100418987.db2.gz ZCONGRZKNTWMMW-QLFBSQMISA-N 1 0 346.431 2.776 10 5 EFBERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001632747683 1100498646 /nfs/dbraw/zinc/49/86/46/1100498646.db2.gz BLOAGYKSRCFOEJ-LBPRGKRZSA-N 1 0 344.415 2.790 10 5 EFBERO CC[NH+](CC)Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001634205655 1100591582 /nfs/dbraw/zinc/59/15/82/1100591582.db2.gz UEQZONDFUUHYBU-UHFFFAOYSA-N 1 0 343.387 2.666 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001635545535 1100667355 /nfs/dbraw/zinc/66/73/55/1100667355.db2.gz YOUFBIIFALAZQY-UHFFFAOYSA-N 1 0 347.415 2.598 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC001635568141 1100668006 /nfs/dbraw/zinc/66/80/06/1100668006.db2.gz LAKCCIODOQYUGP-UHFFFAOYSA-N 1 0 333.432 2.622 10 5 EFBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001638539639 1100866720 /nfs/dbraw/zinc/86/67/20/1100866720.db2.gz UTJDCLFXSMFZPR-UHFFFAOYSA-N 1 0 346.431 2.704 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001638769805 1100885669 /nfs/dbraw/zinc/88/56/69/1100885669.db2.gz NXFXFVJFRWOMRK-KBPBESRZSA-N 1 0 337.445 2.532 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCCC[NH+]3CCCCC3)c2c1 ZINC001639200820 1100923915 /nfs/dbraw/zinc/92/39/15/1100923915.db2.gz RRVBNSRKSKJDOP-UHFFFAOYSA-N 1 0 344.415 2.861 10 5 EFBERO CC[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001639268235 1100931677 /nfs/dbraw/zinc/93/16/77/1100931677.db2.gz DMLYYWXEFIGRRO-ZDUSSCGKSA-N 1 0 332.379 2.990 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001639265816 1100931918 /nfs/dbraw/zinc/93/19/18/1100931918.db2.gz AKDZWLXOQFXLMP-OAHLLOKOSA-N 1 0 333.432 2.719 10 5 EFBERO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC001639427279 1100947637 /nfs/dbraw/zinc/94/76/37/1100947637.db2.gz BXKHSHFSYZKASK-INIZCTEOSA-N 1 0 349.431 2.714 10 5 EFBERO C[NH+](C)[C@@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C1CC1 ZINC001639430136 1100948385 /nfs/dbraw/zinc/94/83/85/1100948385.db2.gz MZBIWCSJQBBCGV-ZDUSSCGKSA-N 1 0 334.807 2.970 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001639798456 1100984544 /nfs/dbraw/zinc/98/45/44/1100984544.db2.gz WUDBKEXNDSUCGN-HOTGVXAUSA-N 1 0 348.447 2.632 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CCC1 ZINC001639796031 1100984905 /nfs/dbraw/zinc/98/49/05/1100984905.db2.gz VMWIEKNWHHYDRG-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001639798781 1100984979 /nfs/dbraw/zinc/98/49/79/1100984979.db2.gz YWHSDTLGTCBNHI-HUUCEWRRSA-N 1 0 337.395 2.511 10 5 EFBERO CCc1nn(C)c(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001640548963 1101058066 /nfs/dbraw/zinc/05/80/66/1101058066.db2.gz KNEPFMUIONUEKN-AWEZNQCLSA-N 1 0 349.822 2.695 10 5 EFBERO C[C@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC001168043150 1101139004 /nfs/dbraw/zinc/13/90/04/1101139004.db2.gz JOJPLHLNZCJWGB-CYBMUJFWSA-N 1 0 341.839 2.648 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC001642169287 1101194359 /nfs/dbraw/zinc/19/43/59/1101194359.db2.gz GXMPQEMKOIPTIN-UHFFFAOYSA-N 1 0 335.433 2.714 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001642400223 1101210243 /nfs/dbraw/zinc/21/02/43/1101210243.db2.gz GDXLZTDQEDGKJG-AWEZNQCLSA-N 1 0 335.452 2.809 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2c1 ZINC001642431536 1101213092 /nfs/dbraw/zinc/21/30/92/1101213092.db2.gz MQWAWAORCQWBPZ-NEPJUHHUSA-N 1 0 342.399 2.611 10 5 EFBERO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001642770967 1101240340 /nfs/dbraw/zinc/24/03/40/1101240340.db2.gz VRLVJHAZSAPXQE-UHFFFAOYSA-N 1 0 345.355 2.610 10 5 EFBERO O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCCCC2)cccc1C(F)(F)F ZINC001642827348 1101245979 /nfs/dbraw/zinc/24/59/79/1101245979.db2.gz OQEKWEMEJXPCJR-LLVKDONJSA-N 1 0 347.337 2.872 10 5 EFBERO CCO[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])C[NH+](C)C ZINC001643159784 1101276957 /nfs/dbraw/zinc/27/69/57/1101276957.db2.gz JKDUUKXKSNHIBH-JTQLQIEISA-N 1 0 346.225 2.736 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001651384890 1101321304 /nfs/dbraw/zinc/32/13/04/1101321304.db2.gz RQERJUMFWJJVMH-LSDHHAIUSA-N 1 0 330.363 2.743 10 5 EFBERO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CCCC1 ZINC001651503122 1101339831 /nfs/dbraw/zinc/33/98/31/1101339831.db2.gz GUZDFBRBIPEJSC-UHFFFAOYSA-N 1 0 346.431 2.773 10 5 EFBERO CCCC[N@H+](C)CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651505474 1101340270 /nfs/dbraw/zinc/34/02/70/1101340270.db2.gz DAIXABRCPCSAOF-UHFFFAOYSA-N 1 0 332.404 2.717 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3c4cc(Cl)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001651524797 1101342830 /nfs/dbraw/zinc/34/28/30/1101342830.db2.gz FMQRKYSLEZLEGZ-PSOPSSQASA-N 1 0 346.818 2.970 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3c4cc(Cl)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001651524800 1101342908 /nfs/dbraw/zinc/34/29/08/1101342908.db2.gz FMQRKYSLEZLEGZ-ZBINZKHDSA-N 1 0 346.818 2.970 10 5 EFBERO CCC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC001651659275 1101364035 /nfs/dbraw/zinc/36/40/35/1101364035.db2.gz HVAMPBGPCBGVBX-AWEZNQCLSA-N 1 0 339.411 2.979 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001652037537 1101424958 /nfs/dbraw/zinc/42/49/58/1101424958.db2.gz UNOMHAYMMCESNX-GFCCVEGCSA-N 1 0 332.379 2.989 10 5 EFBERO CCC[N@@H+]1CC[C@H](Nc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001652077027 1101429939 /nfs/dbraw/zinc/42/99/39/1101429939.db2.gz YCWDLFLIRITEQN-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCC2CC3)c(C(F)(F)F)c1 ZINC001652320105 1101475023 /nfs/dbraw/zinc/47/50/23/1101475023.db2.gz BTXVCBRWTNLKNG-JTQLQIEISA-N 1 0 330.310 2.762 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001652317711 1101475646 /nfs/dbraw/zinc/47/56/46/1101475646.db2.gz DAPOOYKLDBSTKV-UHFFFAOYSA-N 1 0 333.432 2.720 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001653550754 1101630733 /nfs/dbraw/zinc/63/07/33/1101630733.db2.gz IJOCEQSDVCFORQ-INIZCTEOSA-N 1 0 337.420 2.617 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001653830289 1101653300 /nfs/dbraw/zinc/65/33/00/1101653300.db2.gz LRRMMRJBEQGHPB-WDEREUQCSA-N 1 0 325.315 2.510 10 5 EFBERO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCC[C@H]1O ZINC001653948508 1101662266 /nfs/dbraw/zinc/66/22/66/1101662266.db2.gz JCAIBCXXGZIRMJ-SWLSCSKDSA-N 1 0 346.387 2.628 10 5 EFBERO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCC[C@H]1O ZINC001653948507 1101662895 /nfs/dbraw/zinc/66/28/95/1101662895.db2.gz JCAIBCXXGZIRMJ-IUODEOHRSA-N 1 0 346.387 2.628 10 5 EFBERO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCC[C@@H]1O ZINC001653948509 1101663031 /nfs/dbraw/zinc/66/30/31/1101663031.db2.gz JCAIBCXXGZIRMJ-WFASDCNBSA-N 1 0 346.387 2.628 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081493 1101680631 /nfs/dbraw/zinc/68/06/31/1101680631.db2.gz YIJICDYWIBTGEC-RYUDHWBXSA-N 1 0 344.371 2.655 10 5 EFBERO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001480887209 1101696882 /nfs/dbraw/zinc/69/68/82/1101696882.db2.gz HCLXZJAJWZKSAD-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCCC[C@@H]2CCO)o1 ZINC001654440310 1101718764 /nfs/dbraw/zinc/71/87/64/1101718764.db2.gz BQBYHVUGDCXFTQ-CYBMUJFWSA-N 1 0 346.387 2.772 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC001654559710 1101732700 /nfs/dbraw/zinc/73/27/00/1101732700.db2.gz MTVLZHIOMCNZEK-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001654751048 1101754423 /nfs/dbraw/zinc/75/44/23/1101754423.db2.gz VBJYPYSRSOSREU-LBPRGKRZSA-N 1 0 342.355 2.594 10 5 EFBERO CN(CC[N@H+](C)C1CCCCC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC001655033376 1101779255 /nfs/dbraw/zinc/77/92/55/1101779255.db2.gz MCLUQRCUCPWJDG-UHFFFAOYSA-N 1 0 339.411 2.927 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001655100259 1101785108 /nfs/dbraw/zinc/78/51/08/1101785108.db2.gz COKMJNWHEFEQBE-OAHLLOKOSA-N 1 0 333.388 2.533 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1Cc1ccnn1C ZINC001655141821 1101788352 /nfs/dbraw/zinc/78/83/52/1101788352.db2.gz MQUAWUKWFJJYDN-HNNXBMFYSA-N 1 0 330.388 2.544 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)c2c1 ZINC001655152351 1101790354 /nfs/dbraw/zinc/79/03/54/1101790354.db2.gz NVZLKLNYWJAWCV-GFCCVEGCSA-N 1 0 346.431 2.962 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c[nH+]cn3c2)c1 ZINC001655551132 1101844262 /nfs/dbraw/zinc/84/42/62/1101844262.db2.gz WZAJNXYIUIXOPT-UHFFFAOYSA-N 1 0 326.312 2.641 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(C)C ZINC001655598724 1101855581 /nfs/dbraw/zinc/85/55/81/1101855581.db2.gz WJFTVJZYLPIEAZ-LSDHHAIUSA-N 1 0 332.404 2.620 10 5 EFBERO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001655615154 1101859479 /nfs/dbraw/zinc/85/94/79/1101859479.db2.gz XYSGNUBNKDVSBB-SJORKVTESA-N 1 0 348.447 2.584 10 5 EFBERO C[C@@H](COCC1CCCCC1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001655654458 1101865453 /nfs/dbraw/zinc/86/54/53/1101865453.db2.gz FPNOOKDGKBVZHW-ZDUSSCGKSA-N 1 0 349.431 2.769 10 5 EFBERO CN(CC[NH2+]Cc1ccc(C2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696339 1101930255 /nfs/dbraw/zinc/93/02/55/1101930255.db2.gz FOSXIISOQTZQHV-QZTJIDSGSA-N 1 0 345.443 2.557 10 5 EFBERO CC/C=C(\C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656122723 1101966876 /nfs/dbraw/zinc/96/68/76/1101966876.db2.gz XAXFDMPNUKSMIH-MYKKNSQGSA-N 1 0 331.416 2.936 10 5 EFBERO O=[N+]([O-])c1cn(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC001656201897 1101998310 /nfs/dbraw/zinc/99/83/10/1101998310.db2.gz YLDOWLLPXGVVOE-UHFFFAOYSA-N 1 0 349.822 2.657 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC001266726478 1102034936 /nfs/dbraw/zinc/03/49/36/1102034936.db2.gz XJIPUPGOQNGVDB-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001656470458 1102101866 /nfs/dbraw/zinc/10/18/66/1102101866.db2.gz ZNPQLEAXHKNCCD-INIZCTEOSA-N 1 0 344.415 2.903 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001266765286 1102159798 /nfs/dbraw/zinc/15/97/98/1102159798.db2.gz TUGDARWSPUWYTJ-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072725904 1102348200 /nfs/dbraw/zinc/34/82/00/1102348200.db2.gz UJZHYNOOECQENE-IBGZPJMESA-N 1 0 341.411 2.585 10 5 EFBERO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC001657825767 1102413315 /nfs/dbraw/zinc/41/33/15/1102413315.db2.gz NOQLDKXAUCYZEW-LLVKDONJSA-N 1 0 342.237 2.883 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000588445206 1102544390 /nfs/dbraw/zinc/54/43/90/1102544390.db2.gz HDRMMMTYBLMIRF-QAALXFNPSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1coc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001660272268 1102663777 /nfs/dbraw/zinc/66/37/77/1102663777.db2.gz HLVVQBAVLQCYAK-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc(C)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266554134 1102724491 /nfs/dbraw/zinc/72/44/91/1102724491.db2.gz PQEAOHFBYMVVJI-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CC[N@H+](CCCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001660479153 1102785335 /nfs/dbraw/zinc/78/53/35/1102785335.db2.gz TUFYZDPPOLVGNX-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC(F)(F)C(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001660639414 1102904292 /nfs/dbraw/zinc/90/42/92/1102904292.db2.gz OLJOCJVQCSJVIO-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO CCNc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001126625157 1102991532 /nfs/dbraw/zinc/99/15/32/1102991532.db2.gz JLMPRMSOABQHMW-KBPBESRZSA-N 1 0 334.420 2.629 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)C1CC1 ZINC001493535809 1103423613 /nfs/dbraw/zinc/42/36/13/1103423613.db2.gz OYSRTLKNLHYSNY-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001271998781 1103430196 /nfs/dbraw/zinc/43/01/96/1103430196.db2.gz XNHSIDOQOQEWSI-UHFFFAOYSA-N 1 0 331.372 2.700 10 5 EFBERO Cn1ccc([C@H]2CCC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000905719558 1103536277 /nfs/dbraw/zinc/53/62/77/1103536277.db2.gz BLTHJCKYIQSMOC-ZDUSSCGKSA-N 1 0 340.387 2.515 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001483465611 1103762828 /nfs/dbraw/zinc/76/28/28/1103762828.db2.gz MZLMYGZAOFKPEF-UHFFFAOYSA-N 1 0 347.387 2.640 10 5 EFBERO Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001483475545 1103784848 /nfs/dbraw/zinc/78/48/48/1103784848.db2.gz VKNBOUAZBHUHNX-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC(F)(F)F ZINC001673420995 1104182683 /nfs/dbraw/zinc/18/26/83/1104182683.db2.gz PHPRVHYIFIDRRP-UHFFFAOYSA-N 1 0 347.337 2.828 10 5 EFBERO CCC[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906553291 1104302677 /nfs/dbraw/zinc/30/26/77/1104302677.db2.gz KKMYQNIFAOVEIP-UHFFFAOYSA-N 1 0 339.823 2.735 10 5 EFBERO O=[N+]([O-])c1ccc2nc(NCCCC[NH+]3CCOCC3)sc2c1 ZINC000729633167 1104638461 /nfs/dbraw/zinc/63/84/61/1104638461.db2.gz KKWOEISTFUXIOX-UHFFFAOYSA-N 1 0 336.417 2.729 10 5 EFBERO CCCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001670850776 1104743211 /nfs/dbraw/zinc/74/32/11/1104743211.db2.gz UKKYHAMZJLIXTA-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1cc[nH]c1 ZINC001665925841 1104808167 /nfs/dbraw/zinc/80/81/67/1104808167.db2.gz SLIWCROHEWJQAJ-UHFFFAOYSA-N 1 0 348.428 2.817 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001668349364 1105286491 /nfs/dbraw/zinc/28/64/91/1105286491.db2.gz HQJACSCOHULIEI-UHFFFAOYSA-N 1 0 339.442 2.970 10 5 EFBERO Cc1occc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482982307 1105312825 /nfs/dbraw/zinc/31/28/25/1105312825.db2.gz OXMXSNZQZVOFQD-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001668696529 1105352670 /nfs/dbraw/zinc/35/26/70/1105352670.db2.gz PEJBOOXLNKVPGN-ARJAWSKDSA-N 1 0 343.383 2.880 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001482997660 1105503460 /nfs/dbraw/zinc/50/34/60/1105503460.db2.gz QSFAKJNALIQNHE-ONEGZZNKSA-N 1 0 343.383 2.880 10 5 EFBERO CC[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001671309184 1105625384 /nfs/dbraw/zinc/62/53/84/1105625384.db2.gz BHBMXBBXPNJMFJ-HFTRVMKXSA-N 1 0 346.431 2.639 10 5 EFBERO Cc1cocc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001673198448 1105983735 /nfs/dbraw/zinc/98/37/35/1105983735.db2.gz BIYUVIAXMDCRAV-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2n1CCOC2 ZINC000898268426 1106297803 /nfs/dbraw/zinc/29/78/03/1106297803.db2.gz ZODKVSLVOMSXKX-NTUHNPAUSA-N 1 0 328.372 2.515 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cc(Cl)c[nH]1 ZINC001483715300 1108207070 /nfs/dbraw/zinc/20/70/70/1108207070.db2.gz MIMUBWXKWMFRSF-UHFFFAOYSA-N 1 0 348.790 2.629 10 5 EFBERO Cc1ccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001681505555 1108304695 /nfs/dbraw/zinc/30/46/95/1108304695.db2.gz KXDMWJOGDGHUPT-OAHLLOKOSA-N 1 0 348.447 2.967 10 5 EFBERO Cc1coc(C)c1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480860713 1108708260 /nfs/dbraw/zinc/70/82/60/1108708260.db2.gz OICWZBPUADZVPW-UHFFFAOYSA-N 1 0 331.372 2.666 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C12CCC2 ZINC000898834023 1109097439 /nfs/dbraw/zinc/09/74/39/1109097439.db2.gz CHLXUHYVJULZIM-GJZGRUSLSA-N 1 0 342.399 2.679 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C12CCC2 ZINC000898840162 1109106788 /nfs/dbraw/zinc/10/67/88/1109106788.db2.gz QFENJEOPCAZHTI-OLZOCXBDSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C12CCC2 ZINC000898840164 1109106975 /nfs/dbraw/zinc/10/69/75/1109106975.db2.gz QFENJEOPCAZHTI-QWHCGFSZSA-N 1 0 337.807 2.851 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898844038 1109108926 /nfs/dbraw/zinc/10/89/26/1109108926.db2.gz BYOXRADRSCIUJW-HUUCEWRRSA-N 1 0 349.456 2.919 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000899562738 1109387891 /nfs/dbraw/zinc/38/78/91/1109387891.db2.gz CYFUQDGLBWQOOL-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000899560646 1109391806 /nfs/dbraw/zinc/39/18/06/1109391806.db2.gz VJHAPVQVATUCKT-UHFFFAOYSA-N 1 0 335.379 2.824 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C(C1CC1)C1CC1 ZINC001670885059 1111956039 /nfs/dbraw/zinc/95/60/39/1111956039.db2.gz DQNIYBCTNMULMI-UHFFFAOYSA-N 1 0 343.427 2.769 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccoc1 ZINC001484739176 1113128815 /nfs/dbraw/zinc/12/88/15/1113128815.db2.gz XIGXJAUFXRCBBY-UHFFFAOYSA-N 1 0 345.399 2.711 10 5 EFBERO O=C(CCCF)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001485665012 1118514059 /nfs/dbraw/zinc/51/40/59/1118514059.db2.gz VQNAWJRRGVOBCC-UHFFFAOYSA-N 1 0 349.406 2.769 10 5 EFBERO CCC(CC)(CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000053066387 214162007 /nfs/dbraw/zinc/16/20/07/214162007.db2.gz XQVSWVVNIHWDOO-UHFFFAOYSA-N 1 0 331.210 2.998 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737341 231721633 /nfs/dbraw/zinc/72/16/33/231721633.db2.gz OEQJPELUGQYTFJ-ZBFHGGJFSA-N 1 0 344.415 2.620 10 5 EFBERO O=[N+]([O-])c1cccnc1Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000065565311 214963006 /nfs/dbraw/zinc/96/30/06/214963006.db2.gz SRWZSMDXJWOYOL-UHFFFAOYSA-N 1 0 328.372 2.690 10 5 EFBERO C[NH+]1CCC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000102640300 219217197 /nfs/dbraw/zinc/21/71/97/219217197.db2.gz QYDRPJVEMMYRIH-UHFFFAOYSA-N 1 0 330.388 2.538 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248049057 283055080 /nfs/dbraw/zinc/05/50/80/283055080.db2.gz NLFXWDOJZHOEAC-NVXWUHKLSA-N 1 0 343.358 2.909 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000183330989 235011908 /nfs/dbraw/zinc/01/19/08/235011908.db2.gz VJRVHAKFMAFYBT-OAHLLOKOSA-N 1 0 341.415 2.821 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCC2)ccc1Br ZINC000035013039 213003843 /nfs/dbraw/zinc/00/38/43/213003843.db2.gz OFAZUHLHUCGYEB-UHFFFAOYSA-N 1 0 328.210 2.543 10 5 EFBERO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000107525909 219785926 /nfs/dbraw/zinc/78/59/26/219785926.db2.gz ZKSZPKDVGMUDGS-OAHLLOKOSA-N 1 0 331.416 2.994 10 5 EFBERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717675 239262446 /nfs/dbraw/zinc/26/24/46/239262446.db2.gz PJIVFLOVHCGARQ-AEJSXWLSSA-N 1 0 329.784 2.588 10 5 EFBERO C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235659868 242285531 /nfs/dbraw/zinc/28/55/31/242285531.db2.gz RKQIRXDLOVSSCW-CMPLNLGQSA-N 1 0 342.237 2.917 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412091395 243129684 /nfs/dbraw/zinc/12/96/84/243129684.db2.gz UVELCEXNSZLNPC-HNNXBMFYSA-N 1 0 349.431 2.871 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245898116 243169342 /nfs/dbraw/zinc/16/93/42/243169342.db2.gz AEVKNLXWPDJVFK-BBRMVZONSA-N 1 0 333.432 2.634 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312940 243261493 /nfs/dbraw/zinc/26/14/93/243261493.db2.gz UCLYXPMBHSLXDI-DQVOVIAYSA-N 1 0 343.427 2.831 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246516499 243264943 /nfs/dbraw/zinc/26/49/43/243264943.db2.gz ULXOBNQEGRNHBK-WMLDXEAASA-N 1 0 348.447 2.509 10 5 EFBERO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1C(F)(F)F ZINC000414379560 244123019 /nfs/dbraw/zinc/12/30/19/244123019.db2.gz MWLPVZMRDZBNDI-UHFFFAOYSA-N 1 0 328.294 2.908 10 5 EFBERO C[C@@H]1C[NH2+]CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943847 244396883 /nfs/dbraw/zinc/39/68/83/244396883.db2.gz OLEWIGDODIRBGR-ABAIWWIYSA-N 1 0 332.429 2.806 10 5 EFBERO Cc1c(NC(=O)NC(C)(C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415662886 244445365 /nfs/dbraw/zinc/44/53/65/244445365.db2.gz RTJXBOUZPBVWDT-UHFFFAOYSA-N 1 0 345.197 2.525 10 5 EFBERO CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422630228 246408805 /nfs/dbraw/zinc/40/88/05/246408805.db2.gz YKZDJGLBGLJJOL-AWEZNQCLSA-N 1 0 341.367 2.524 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423986580 246669477 /nfs/dbraw/zinc/66/94/77/246669477.db2.gz UHBOHYMRVAPYFD-BFQNTYOBSA-N 1 0 337.445 2.519 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423987486 246669515 /nfs/dbraw/zinc/66/95/15/246669515.db2.gz YTUBHEASJVQEDC-WBVHZDCISA-N 1 0 331.416 2.518 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000425353507 247055181 /nfs/dbraw/zinc/05/51/81/247055181.db2.gz JEOPOROXEFEMBY-CYBMUJFWSA-N 1 0 339.355 2.962 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496079 248159247 /nfs/dbraw/zinc/15/92/47/248159247.db2.gz FLTSEJVDJWLTFY-UHFFFAOYSA-N 1 0 345.374 2.717 10 5 EFBERO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000434740289 248185064 /nfs/dbraw/zinc/18/50/64/248185064.db2.gz ZGNAHFOBEJZCOY-UHFFFAOYSA-N 1 0 333.417 2.547 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441198691 250006407 /nfs/dbraw/zinc/00/64/07/250006407.db2.gz NNGAXRSRHLKXIM-CABCVRRESA-N 1 0 347.415 2.590 10 5 EFBERO CC(C)[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445183624 250393774 /nfs/dbraw/zinc/39/37/74/250393774.db2.gz XXAIKFNPPIVIAM-UHFFFAOYSA-N 1 0 337.423 2.751 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(=NCCCCC[NH+]3CCCCC3)[nH]c2c1 ZINC000447687678 250595935 /nfs/dbraw/zinc/59/59/35/250595935.db2.gz JPXPMYFPNPXLFP-UHFFFAOYSA-N 1 0 331.420 2.961 10 5 EFBERO CCc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000095403812 218338251 /nfs/dbraw/zinc/33/82/51/218338251.db2.gz SDSTWVOFIPWWSY-ZDUSSCGKSA-N 1 0 334.420 2.963 10 5 EFBERO COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449383144 251004085 /nfs/dbraw/zinc/00/40/85/251004085.db2.gz FHAMYIDVWYGWMY-QGPMSJSTSA-N 1 0 336.432 2.683 10 5 EFBERO CCc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000449611936 251081751 /nfs/dbraw/zinc/08/17/51/251081751.db2.gz ZQMCUZKIYJTGRU-LLVKDONJSA-N 1 0 332.360 2.652 10 5 EFBERO CCc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000449611937 251082154 /nfs/dbraw/zinc/08/21/54/251082154.db2.gz ZQMCUZKIYJTGRU-NSHDSACASA-N 1 0 332.360 2.652 10 5 EFBERO CC[C@H](NC(=O)N1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000267469324 251084585 /nfs/dbraw/zinc/08/45/85/251084585.db2.gz XFMKXFYIEZIABX-INIZCTEOSA-N 1 0 334.420 2.782 10 5 EFBERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676089 251113707 /nfs/dbraw/zinc/11/37/07/251113707.db2.gz FBUAAJAQOURHEB-CXAGYDPISA-N 1 0 346.383 2.827 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000449779408 251152039 /nfs/dbraw/zinc/15/20/39/251152039.db2.gz TZAWCNIHECZEJN-CYBMUJFWSA-N 1 0 336.388 2.710 10 5 EFBERO Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347092 251354524 /nfs/dbraw/zinc/35/45/24/251354524.db2.gz GVMNLPBMUGPTGP-IUODEOHRSA-N 1 0 347.444 2.672 10 5 EFBERO CC[NH+]1CCC(CCNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450353436 251356708 /nfs/dbraw/zinc/35/67/08/251356708.db2.gz FPFAANFIKZICDW-UHFFFAOYSA-N 1 0 349.431 2.844 10 5 EFBERO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268631375 252084665 /nfs/dbraw/zinc/08/46/65/252084665.db2.gz ZYWZXTHXEADBCS-SFHVURJKSA-N 1 0 339.395 2.941 10 5 EFBERO COc1ccc(OCC[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000173517491 533012732 /nfs/dbraw/zinc/01/27/32/533012732.db2.gz FGEPUDUVCCBWJU-UHFFFAOYSA-N 1 0 338.404 2.872 10 5 EFBERO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000097312389 219011826 /nfs/dbraw/zinc/01/18/26/219011826.db2.gz VTUYVCDTEIVEHN-IOBAAEILSA-N 1 0 347.390 2.834 10 5 EFBERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868504 533109703 /nfs/dbraw/zinc/10/97/03/533109703.db2.gz RHVFNQADZSSCDX-WBMJQRKESA-N 1 0 346.383 2.996 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)c1cccnc1)C1CC1 ZINC000348640487 285161873 /nfs/dbraw/zinc/16/18/73/285161873.db2.gz IPRPAMSCPYSFPJ-MSOLQXFVSA-N 1 0 341.411 2.677 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000129059412 285164363 /nfs/dbraw/zinc/16/43/63/285164363.db2.gz GXVHKMZEPFESLN-GJZGRUSLSA-N 1 0 330.388 2.944 10 5 EFBERO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235179133 291940055 /nfs/dbraw/zinc/94/00/55/291940055.db2.gz XRGZBDPZYQALGW-NXEZZACHSA-N 1 0 328.210 2.839 10 5 EFBERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119812844 221407251 /nfs/dbraw/zinc/40/72/51/221407251.db2.gz OTUADTOBPBEKQR-ZDUSSCGKSA-N 1 0 344.415 2.784 10 5 EFBERO C/C=C1/C[N@@+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c2cc(O)ccc2n(C)c13 ZINC000255221801 257845199 /nfs/dbraw/zinc/84/51/99/257845199.db2.gz JTTRGCDSKZRQPP-KTERXNTLSA-O 1 0 339.459 2.885 10 5 EFBERO Cn1ccnc1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876564 141356533 /nfs/dbraw/zinc/35/65/33/141356533.db2.gz MPCCCJJSTLHBKU-UHFFFAOYSA-N 1 0 328.416 2.826 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194525246 141379605 /nfs/dbraw/zinc/37/96/05/141379605.db2.gz UMFFFONMDIDGFT-UHFFFAOYSA-N 1 0 346.431 2.683 10 5 EFBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000343511778 142009944 /nfs/dbraw/zinc/00/99/44/142009944.db2.gz BFVCQGRENQSYQT-AWEZNQCLSA-N 1 0 334.420 2.651 10 5 EFBERO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000344443031 142017633 /nfs/dbraw/zinc/01/76/33/142017633.db2.gz WZRUXJANRXVHBA-CQSZACIVSA-N 1 0 342.399 2.882 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344626534 142051490 /nfs/dbraw/zinc/05/14/90/142051490.db2.gz YJFIRLVYNPVBDK-ZDUSSCGKSA-N 1 0 325.434 2.815 10 5 EFBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346145113 142154635 /nfs/dbraw/zinc/15/46/35/142154635.db2.gz KIAVUBZIFYHFIW-OAHLLOKOSA-N 1 0 342.399 2.707 10 5 EFBERO C[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000347436780 142216323 /nfs/dbraw/zinc/21/63/23/142216323.db2.gz VBNZAWGFFBABBS-UHFFFAOYSA-N 1 0 329.404 2.636 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347451058 142218803 /nfs/dbraw/zinc/21/88/03/142218803.db2.gz PUEWDOAOSKCGBA-BETUJISGSA-N 1 0 329.404 2.635 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC000347793371 142272580 /nfs/dbraw/zinc/27/25/80/142272580.db2.gz XCNSXQFUMRDXFK-UHFFFAOYSA-N 1 0 325.368 2.526 10 5 EFBERO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843172 142280721 /nfs/dbraw/zinc/28/07/21/142280721.db2.gz JGOYOVXUMBHEGG-SMDDNHRTSA-N 1 0 335.379 2.533 10 5 EFBERO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1O ZINC000347865865 142284459 /nfs/dbraw/zinc/28/44/59/142284459.db2.gz ZWWFMCNAFASZNS-OAHLLOKOSA-N 1 0 342.399 2.999 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347955869 142299766 /nfs/dbraw/zinc/29/97/66/142299766.db2.gz UATABNYMFFIALU-BLLLJJGKSA-N 1 0 349.456 2.628 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278171 145025037 /nfs/dbraw/zinc/02/50/37/145025037.db2.gz UTRZGINPKBDZBD-YOEHRIQHSA-N 1 0 338.448 2.966 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402515 145046356 /nfs/dbraw/zinc/04/63/56/145046356.db2.gz MOICIGZVPALQFI-HUUCEWRRSA-N 1 0 348.447 2.999 10 5 EFBERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000342428330 145123827 /nfs/dbraw/zinc/12/38/27/145123827.db2.gz GMHKCRRHSWMFGJ-CGTJXYLNSA-N 1 0 331.416 2.640 10 5 EFBERO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(c2ncc[nH]2)CC1 ZINC000342899394 145218012 /nfs/dbraw/zinc/21/80/12/145218012.db2.gz GTSSWEFYUTZDJE-UHFFFAOYSA-N 1 0 339.355 2.819 10 5 EFBERO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)cn1 ZINC000344422650 145444858 /nfs/dbraw/zinc/44/48/58/145444858.db2.gz QTYAFJXTAMEUGK-SNVBAGLBSA-N 1 0 346.416 2.534 10 5 EFBERO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423517 145945273 /nfs/dbraw/zinc/94/52/73/145945273.db2.gz VGKMVTWUZFECCE-HUUCEWRRSA-N 1 0 340.445 2.783 10 5 EFBERO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350686591 146080917 /nfs/dbraw/zinc/08/09/17/146080917.db2.gz XOVARLSFFSZLQK-KRWDZBQOSA-N 1 0 330.388 2.809 10 5 EFBERO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000351978510 146253457 /nfs/dbraw/zinc/25/34/57/146253457.db2.gz UWOBJKKRRVHYJP-UHFFFAOYSA-N 1 0 341.411 2.921 10 5 EFBERO Cc1sc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000352871822 146336394 /nfs/dbraw/zinc/33/63/94/146336394.db2.gz CBPVZXSVGHSDMV-UHFFFAOYSA-N 1 0 345.424 2.921 10 5 EFBERO COCC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353060381 146387796 /nfs/dbraw/zinc/38/77/96/146387796.db2.gz JTZIZIBEUQBNLX-ZDUSSCGKSA-N 1 0 334.372 2.996 10 5 EFBERO CC(C)[N@H+](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356804910 147340339 /nfs/dbraw/zinc/34/03/39/147340339.db2.gz JEMYSWMBXMXXBK-UHFFFAOYSA-N 1 0 330.182 2.636 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000359540598 148116178 /nfs/dbraw/zinc/11/61/78/148116178.db2.gz CNRODHMHJWPBLD-UWWQBHOKSA-N 1 0 334.416 2.847 10 5 EFBERO C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000359555928 148120936 /nfs/dbraw/zinc/12/09/36/148120936.db2.gz LFMJNSMLRVYNEI-IFXJQAMLSA-N 1 0 343.427 2.996 10 5 EFBERO C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000359563502 148124606 /nfs/dbraw/zinc/12/46/06/148124606.db2.gz SPECMNDMJPOQPG-AUUYWEPGSA-N 1 0 343.427 2.996 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(NC3CC([NH+]4CCCCC4)C3)c21 ZINC000360089692 148268213 /nfs/dbraw/zinc/26/82/13/148268213.db2.gz VFJWOJAHZDCMEL-UHFFFAOYSA-N 1 0 327.388 2.967 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000360115957 148275968 /nfs/dbraw/zinc/27/59/68/148275968.db2.gz FXHFGJIOIIOYOC-CQSZACIVSA-N 1 0 335.404 2.692 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360341983 148335864 /nfs/dbraw/zinc/33/58/64/148335864.db2.gz HNUCXUIARDBWEN-MRXNPFEDSA-N 1 0 327.384 2.933 10 5 EFBERO C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000362824841 148891622 /nfs/dbraw/zinc/89/16/22/148891622.db2.gz FLHLVVGDGRLEBI-JTQLQIEISA-N 1 0 343.374 2.508 10 5 EFBERO Cc1ccnc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000363788297 149013010 /nfs/dbraw/zinc/01/30/10/149013010.db2.gz BQGUCYUEVKNASF-UHFFFAOYSA-N 1 0 342.399 2.952 10 5 EFBERO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000365039565 149302514 /nfs/dbraw/zinc/30/25/14/149302514.db2.gz FROQWBSLMDBNRL-UHFFFAOYSA-N 1 0 342.395 2.613 10 5 EFBERO Nc1nccc([C@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000368046101 150019353 /nfs/dbraw/zinc/01/93/53/150019353.db2.gz XJKKPNNUIXAKHQ-VFQAQYNWSA-N 1 0 339.399 2.690 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102910 150038513 /nfs/dbraw/zinc/03/85/13/150038513.db2.gz QRDHMUAJKIXCGT-DGCLKSJQSA-N 1 0 330.388 2.925 10 5 EFBERO COCC[C@@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368656640 150172455 /nfs/dbraw/zinc/17/24/55/150172455.db2.gz ZJRSTMMSZACZJD-HNNXBMFYSA-N 1 0 349.431 2.696 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000371019671 150713572 /nfs/dbraw/zinc/71/35/72/150713572.db2.gz TXVZKVGQFIKGIE-WFASDCNBSA-N 1 0 349.456 2.921 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000371234280 150756987 /nfs/dbraw/zinc/75/69/87/150756987.db2.gz DAFCWBUMHZQLOQ-CABCVRRESA-N 1 0 347.415 2.598 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000373738961 151219193 /nfs/dbraw/zinc/21/91/93/151219193.db2.gz YOQBNPRJSKCCHM-UHFFFAOYSA-N 1 0 333.432 2.911 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000373911898 151248060 /nfs/dbraw/zinc/24/80/60/151248060.db2.gz SSCZVLZMMYTJFW-AWEZNQCLSA-N 1 0 342.355 2.963 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000374633322 151385534 /nfs/dbraw/zinc/38/55/34/151385534.db2.gz VIUHONRATIRLKQ-WFASDCNBSA-N 1 0 326.780 2.676 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000376161014 151667231 /nfs/dbraw/zinc/66/72/31/151667231.db2.gz GCDKNGJRQFKZEQ-GKLJAUDBSA-N 1 0 331.416 2.515 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378424531 152081538 /nfs/dbraw/zinc/08/15/38/152081538.db2.gz NALWRTOJNAZOGK-SWLSCSKDSA-N 1 0 326.780 2.676 10 5 EFBERO C[NH+]1CCC2(CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000408073962 152148903 /nfs/dbraw/zinc/14/89/03/152148903.db2.gz VLFZNRUVVPGMEM-UHFFFAOYSA-N 1 0 342.399 2.777 10 5 EFBERO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000338680804 286383056 /nfs/dbraw/zinc/38/30/56/286383056.db2.gz GSIMNLZJMWSOKH-MRXNPFEDSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171504206 227113994 /nfs/dbraw/zinc/11/39/94/227113994.db2.gz QMXVYJMDYYYXTA-CQSZACIVSA-N 1 0 332.404 2.995 10 5 EFBERO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123115198 222218869 /nfs/dbraw/zinc/21/88/69/222218869.db2.gz GHLJXRPZVJUPOA-WCQYABFASA-N 1 0 337.445 2.871 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123853327 222341578 /nfs/dbraw/zinc/34/15/78/222341578.db2.gz LKIUJNGLRQGUNA-NEPJUHHUSA-N 1 0 337.445 2.871 10 5 EFBERO CO[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190950096 265245083 /nfs/dbraw/zinc/24/50/83/265245083.db2.gz CYMTXNDZTFURGD-HOCLYGCPSA-N 1 0 330.388 2.652 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000271698195 266044354 /nfs/dbraw/zinc/04/43/54/266044354.db2.gz GTXOGYKTVWEJCW-QWHCGFSZSA-N 1 0 334.347 2.824 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000271698200 266044661 /nfs/dbraw/zinc/04/46/61/266044661.db2.gz GTXOGYKTVWEJCW-STQMWFEESA-N 1 0 334.347 2.824 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271818978 266069067 /nfs/dbraw/zinc/06/90/67/266069067.db2.gz ZPATZCUACBHTIM-BZNIZROVSA-N 1 0 331.328 2.887 10 5 EFBERO CC[C@@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271944512 266103485 /nfs/dbraw/zinc/10/34/85/266103485.db2.gz XDSROJGMVMSKST-MRXNPFEDSA-N 1 0 332.404 2.607 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000272158175 266171281 /nfs/dbraw/zinc/17/12/81/266171281.db2.gz DQWIPVKBHMVYGZ-SMDDNHRTSA-N 1 0 341.358 2.628 10 5 EFBERO C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000272179822 266178790 /nfs/dbraw/zinc/17/87/90/266178790.db2.gz IUDIBRNDJMEYOA-UHFFFAOYSA-N 1 0 347.337 2.507 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275131615 266756283 /nfs/dbraw/zinc/75/62/83/266756283.db2.gz BYGSJUKXMDZJSW-DTWKUNHWSA-N 1 0 337.767 2.649 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000276583710 267017916 /nfs/dbraw/zinc/01/79/16/267017916.db2.gz IMBPPZYXADWAAI-OAHLLOKOSA-N 1 0 338.429 2.681 10 5 EFBERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000277556840 267197035 /nfs/dbraw/zinc/19/70/35/267197035.db2.gz OWJVCGKKGQOBKK-CQSZACIVSA-N 1 0 342.399 2.823 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578269 267202491 /nfs/dbraw/zinc/20/24/91/267202491.db2.gz VPJCBOYRIRCROI-KWBADKCTSA-N 1 0 341.795 2.590 10 5 EFBERO C[C@H]1C[N@H+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277579104 267203078 /nfs/dbraw/zinc/20/30/78/267203078.db2.gz BRWRZERBQVYHKS-NSHDSACASA-N 1 0 328.800 2.556 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277592913 267206493 /nfs/dbraw/zinc/20/64/93/267206493.db2.gz WXZHHYIBYCMCDO-UHIISALHSA-N 1 0 332.360 2.720 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277781566 267262240 /nfs/dbraw/zinc/26/22/40/267262240.db2.gz VGYVUELOROMOBV-INIZCTEOSA-N 1 0 343.431 2.704 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000278170502 267359054 /nfs/dbraw/zinc/35/90/54/267359054.db2.gz AZBVONDSXLDFQP-CYBMUJFWSA-N 1 0 329.404 2.926 10 5 EFBERO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000191761389 273060833 /nfs/dbraw/zinc/06/08/33/273060833.db2.gz KGUPJJSMGDXJDL-QGZVFWFLSA-N 1 0 343.358 2.625 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C2CCC(C(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000271113306 273098485 /nfs/dbraw/zinc/09/84/85/273098485.db2.gz HUCPCLZOYTZTEO-OPFPJEHXSA-N 1 0 349.431 2.949 10 5 EFBERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000271237039 273102698 /nfs/dbraw/zinc/10/26/98/273102698.db2.gz BFCJDHGEJDKKRP-LLVKDONJSA-N 1 0 346.412 2.566 10 5 EFBERO CC[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000279080207 273174390 /nfs/dbraw/zinc/17/43/90/273174390.db2.gz POONNMCWTSESCI-UHFFFAOYSA-N 1 0 325.796 2.771 10 5 EFBERO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000279925220 273270206 /nfs/dbraw/zinc/27/02/06/273270206.db2.gz XRRRQUKOGCCNNB-GFCCVEGCSA-N 1 0 325.796 2.596 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000284187817 273807677 /nfs/dbraw/zinc/80/76/77/273807677.db2.gz GBASMWQDBWKBNP-FRFSOERESA-N 1 0 338.448 2.664 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222502 274526102 /nfs/dbraw/zinc/52/61/02/274526102.db2.gz TZGWFMHOYKTARK-ZFWWWQNUSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651803 274798347 /nfs/dbraw/zinc/79/83/47/274798347.db2.gz YJIYKRYMMTUYCH-RDDDGLTNSA-N 1 0 332.141 2.697 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000019995537 275032975 /nfs/dbraw/zinc/03/29/75/275032975.db2.gz KHDCMNPWGOFBCJ-GFCCVEGCSA-N 1 0 326.194 2.863 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182812848 275399973 /nfs/dbraw/zinc/39/99/73/275399973.db2.gz TWCPNIZKBKDFGC-VMEIHUARSA-N 1 0 343.427 2.942 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000371234281 276372497 /nfs/dbraw/zinc/37/24/97/276372497.db2.gz DAFCWBUMHZQLOQ-GJZGRUSLSA-N 1 0 347.415 2.598 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180183988 277137282 /nfs/dbraw/zinc/13/72/82/277137282.db2.gz MAPZNPMBEHBYRN-SJORKVTESA-N 1 0 325.368 2.770 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248040771 277169025 /nfs/dbraw/zinc/16/90/25/277169025.db2.gz MAPZNPMBEHBYRN-DLBZAZTESA-N 1 0 325.368 2.770 10 5 EFBERO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000180230805 278036705 /nfs/dbraw/zinc/03/67/05/278036705.db2.gz SUIDUBCXRVWDFZ-BEFAXECRSA-N 1 0 347.459 2.871 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000353975713 278272940 /nfs/dbraw/zinc/27/29/40/278272940.db2.gz VMKMUFTWRTZXSK-XHDPSFHLSA-N 1 0 338.429 2.528 10 5 EFBERO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261784780 278321963 /nfs/dbraw/zinc/32/19/63/278321963.db2.gz GFRRWZQVZZQENF-GFCCVEGCSA-N 1 0 345.321 2.813 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083690 278351540 /nfs/dbraw/zinc/35/15/40/278351540.db2.gz BSZUZNSVYJXNKV-GJZGRUSLSA-N 1 0 348.447 2.699 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184917169 279145068 /nfs/dbraw/zinc/14/50/68/279145068.db2.gz DKLZCDMUEGQPMK-NWDGAFQWSA-N 1 0 325.384 2.684 10 5 EFBERO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000133007788 280186860 /nfs/dbraw/zinc/18/68/60/280186860.db2.gz PXRRKVWGHSKNIA-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107529133 280205372 /nfs/dbraw/zinc/20/53/72/280205372.db2.gz OCHNXAPBXFKAIO-HNNXBMFYSA-N 1 0 331.416 2.994 10 5 EFBERO C[N@@H+]1CCO[C@@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408027667 290087180 /nfs/dbraw/zinc/08/71/80/290087180.db2.gz ORLDTUJZRFRGCL-QWHCGFSZSA-N 1 0 346.214 2.811 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000134069841 293276531 /nfs/dbraw/zinc/27/65/31/293276531.db2.gz CKTBOBXHRFYGKY-HNNXBMFYSA-N 1 0 346.431 2.753 10 5 EFBERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636660 294142136 /nfs/dbraw/zinc/14/21/36/294142136.db2.gz VNMJDJRPURCZPC-UTLUCORTSA-N 1 0 329.784 2.588 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290696506 294160434 /nfs/dbraw/zinc/16/04/34/294160434.db2.gz VLTRHKCXTRVALJ-GFCCVEGCSA-N 1 0 332.404 2.926 10 5 EFBERO COc1cc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000348924963 294949857 /nfs/dbraw/zinc/94/98/57/294949857.db2.gz XEOXELYMUCWFFH-UHFFFAOYSA-N 1 0 330.388 2.581 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000295177736 295278451 /nfs/dbraw/zinc/27/84/51/295278451.db2.gz HSAIJMXECGKNKM-CYBMUJFWSA-N 1 0 346.330 2.862 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202515 295281816 /nfs/dbraw/zinc/28/18/16/295281816.db2.gz KYRAWFUZGHSREB-RNCFNFMXSA-N 1 0 341.795 2.732 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207171 295282482 /nfs/dbraw/zinc/28/24/82/295282482.db2.gz LQVBGUKRQUEKIT-RNCFNFMXSA-N 1 0 341.795 2.732 10 5 EFBERO C[C@@]1(F)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000295285742 295293174 /nfs/dbraw/zinc/29/31/74/295293174.db2.gz DHPCPCGPLDOBBI-OAHLLOKOSA-N 1 0 327.331 2.887 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295761562 295372313 /nfs/dbraw/zinc/37/23/13/295372313.db2.gz RSAJTSVKUUZNTI-UHFFFAOYSA-N 1 0 334.416 2.991 10 5 EFBERO NC(=O)CC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421873783 303241323 /nfs/dbraw/zinc/24/13/23/303241323.db2.gz HRRSQCKXEJFONS-GOSISDBHSA-N 1 0 339.395 2.929 10 5 EFBERO Cc1c(NC(=O)N[C@@H](C)CC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415668447 312162960 /nfs/dbraw/zinc/16/29/60/312162960.db2.gz ZTVSORCNGWZIPX-ZETCQYMHSA-N 1 0 345.197 2.525 10 5 EFBERO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296488661 310826063 /nfs/dbraw/zinc/82/60/63/310826063.db2.gz AUZQHXODVKCJEP-ZDUSSCGKSA-N 1 0 346.431 2.972 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000297304565 310878662 /nfs/dbraw/zinc/87/86/62/310878662.db2.gz YUVLGMVSNJUZMU-CYBMUJFWSA-N 1 0 329.404 2.783 10 5 EFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000301061818 311116701 /nfs/dbraw/zinc/11/67/01/311116701.db2.gz CHCXGMHVJKNHTB-SCLBCKFNSA-N 1 0 348.447 2.877 10 5 EFBERO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000301066973 311116931 /nfs/dbraw/zinc/11/69/31/311116931.db2.gz FFXGNAIXTGTGNY-SJCJKPOMSA-N 1 0 334.420 2.616 10 5 EFBERO Cc1cc(N2CCC([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301119472 311120135 /nfs/dbraw/zinc/12/01/35/311120135.db2.gz PWLGQSOOTWOUMV-UHFFFAOYSA-N 1 0 341.415 2.891 10 5 EFBERO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301166756 311122343 /nfs/dbraw/zinc/12/23/43/311122343.db2.gz DYHWOZCTKYMDOG-CYBMUJFWSA-N 1 0 346.431 2.903 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301206182 311124341 /nfs/dbraw/zinc/12/43/41/311124341.db2.gz SPQSGGIIRWEFBL-CQSZACIVSA-N 1 0 334.376 2.958 10 5 EFBERO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cn1 ZINC000301296253 311129771 /nfs/dbraw/zinc/12/97/71/311129771.db2.gz RXAJTXIEKLTQNP-KRWDZBQOSA-N 1 0 340.387 2.591 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301345076 311132331 /nfs/dbraw/zinc/13/23/31/311132331.db2.gz KCFQCIDMMAZLLB-TXEJJXNPSA-N 1 0 341.383 2.654 10 5 EFBERO COC(=O)c1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301377077 311134600 /nfs/dbraw/zinc/13/46/00/311134600.db2.gz RVNIPOWQNKNQDK-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000301608694 311147476 /nfs/dbraw/zinc/14/74/76/311147476.db2.gz ACTHVJQKIVHNGX-LBPRGKRZSA-N 1 0 341.383 2.511 10 5 EFBERO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301756448 311156649 /nfs/dbraw/zinc/15/66/49/311156649.db2.gz YHVMXVVHTKIGDX-HNNXBMFYSA-N 1 0 337.395 2.815 10 5 EFBERO Cc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000301878594 311164293 /nfs/dbraw/zinc/16/42/93/311164293.db2.gz ZBKUQEUDTNGFGV-SJPCQFCGSA-N 1 0 344.459 2.650 10 5 EFBERO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981401 311170098 /nfs/dbraw/zinc/17/00/98/311170098.db2.gz BASGEPGJCRYZFU-CYBMUJFWSA-N 1 0 340.387 2.570 10 5 EFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981403 311170136 /nfs/dbraw/zinc/17/01/36/311170136.db2.gz BASGEPGJCRYZFU-ZDUSSCGKSA-N 1 0 340.387 2.570 10 5 EFBERO COCC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000301979726 311170230 /nfs/dbraw/zinc/17/02/30/311170230.db2.gz AJWJHKUCFRIZRY-CQSZACIVSA-N 1 0 344.415 2.608 10 5 EFBERO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302002993 311171316 /nfs/dbraw/zinc/17/13/16/311171316.db2.gz REKOGGIBOZSPTO-CYBMUJFWSA-N 1 0 332.408 2.704 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000302138078 311179764 /nfs/dbraw/zinc/17/97/64/311179764.db2.gz DQNMZWSWDLMMSZ-UHFFFAOYSA-N 1 0 347.415 2.836 10 5 EFBERO Cc1cc(NCc2cc(C(N)=O)co2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302349046 311188547 /nfs/dbraw/zinc/18/85/47/311188547.db2.gz BGTYDGSESRNFEW-UHFFFAOYSA-N 1 0 326.312 2.755 10 5 EFBERO Cc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000302499640 311191698 /nfs/dbraw/zinc/19/16/98/311191698.db2.gz ODNNNMFNFZXJBE-SJPCQFCGSA-N 1 0 344.459 2.650 10 5 EFBERO Cc1cccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302523149 311192434 /nfs/dbraw/zinc/19/24/34/311192434.db2.gz YOYLVGCAKMZXAD-INIZCTEOSA-N 1 0 333.432 2.984 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313377079 311232190 /nfs/dbraw/zinc/23/21/90/311232190.db2.gz MPFZVYMUKFFJRO-QGZVFWFLSA-N 1 0 325.368 2.690 10 5 EFBERO COc1ccc(-c2ccc(CN[C@H]3C[NH2+]CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930758 312065818 /nfs/dbraw/zinc/06/58/18/312065818.db2.gz PEYXJLAVNVXJJE-WBMJQRKESA-N 1 0 345.399 2.951 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000414997129 312073980 /nfs/dbraw/zinc/07/39/80/312073980.db2.gz HFDHAIOEUBIACW-BJJXKVORSA-N 1 0 339.386 2.893 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494182 312424518 /nfs/dbraw/zinc/42/45/18/312424518.db2.gz RXCWZCSUNKDZQD-MOPGFXCFSA-N 1 0 341.411 2.652 10 5 EFBERO CSc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423972360 312492314 /nfs/dbraw/zinc/49/23/14/312492314.db2.gz ZLLROSODIQDOAE-UONOGXRCSA-N 1 0 349.456 2.921 10 5 EFBERO Cc1sc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424009968 312495400 /nfs/dbraw/zinc/49/54/00/312495400.db2.gz KDYVLGVTSDGZDS-QWHCGFSZSA-N 1 0 349.387 2.671 10 5 EFBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)c1 ZINC000473742091 313200258 /nfs/dbraw/zinc/20/02/58/313200258.db2.gz HXWOCGYNXSDBHI-SFHVURJKSA-N 1 0 333.432 2.658 10 5 EFBERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475330866 313221681 /nfs/dbraw/zinc/22/16/81/313221681.db2.gz DMQHSRHRUIJLQT-UONOGXRCSA-N 1 0 336.436 2.632 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475714853 313224962 /nfs/dbraw/zinc/22/49/62/313224962.db2.gz JUZNCAAYHRFYMF-CQSZACIVSA-N 1 0 336.388 2.625 10 5 EFBERO CCCN(CCC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487434285 313393319 /nfs/dbraw/zinc/39/33/19/313393319.db2.gz WWCMEPMUXRXOPM-UHFFFAOYSA-N 1 0 343.374 2.606 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253042 314292519 /nfs/dbraw/zinc/29/25/19/314292519.db2.gz JGDWRGKDYAHDEK-CJNGLKHVSA-N 1 0 346.431 2.842 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494638389 314616199 /nfs/dbraw/zinc/61/61/99/314616199.db2.gz UXGJDEZEDIEWFT-YPMHNXCESA-N 1 0 349.412 2.615 10 5 EFBERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494643688 314617971 /nfs/dbraw/zinc/61/79/71/314617971.db2.gz TVFSGUDJTMFCFU-AWEZNQCLSA-N 1 0 349.412 2.535 10 5 EFBERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494985529 314654693 /nfs/dbraw/zinc/65/46/93/314654693.db2.gz KVSBZIWYCLFNND-GFCCVEGCSA-N 1 0 345.321 2.760 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000497515961 315393114 /nfs/dbraw/zinc/39/31/14/315393114.db2.gz PZAKNGRVWNYNDK-STQMWFEESA-N 1 0 335.404 2.609 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510958553 315512108 /nfs/dbraw/zinc/51/21/08/315512108.db2.gz LYGYYWYPWDQYOA-BBRMVZONSA-N 1 0 349.431 2.843 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000521263737 316013237 /nfs/dbraw/zinc/01/32/37/316013237.db2.gz VCYQOVOYSOLRFQ-SFYCDEOASA-N 1 0 349.456 2.805 10 5 EFBERO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000521405624 316020252 /nfs/dbraw/zinc/02/02/52/316020252.db2.gz PSCJLMBXGODZJN-UHFFFAOYSA-N 1 0 332.404 2.901 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000527076154 316331006 /nfs/dbraw/zinc/33/10/06/316331006.db2.gz HBIRUALEEKSDEK-SFHVURJKSA-N 1 0 340.383 2.978 10 5 EFBERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531627859 317293477 /nfs/dbraw/zinc/29/34/77/317293477.db2.gz RAAUUWVIBPZGQM-ZDUSSCGKSA-N 1 0 334.420 2.620 10 5 EFBERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633751 317294088 /nfs/dbraw/zinc/29/40/88/317294088.db2.gz JXDLQNAYWCNZPL-CQSZACIVSA-N 1 0 346.412 2.618 10 5 EFBERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888493 317328071 /nfs/dbraw/zinc/32/80/71/317328071.db2.gz CAOWXBCPHREDNT-UHFFFAOYSA-N 1 0 334.420 2.574 10 5 EFBERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887780 317328153 /nfs/dbraw/zinc/32/81/53/317328153.db2.gz ZSLJJRGSLWGEHX-UHFFFAOYSA-N 1 0 342.399 2.714 10 5 EFBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000531898157 317329764 /nfs/dbraw/zinc/32/97/64/317329764.db2.gz XMIZSJSOYDGPDD-OAHLLOKOSA-N 1 0 348.428 2.864 10 5 EFBERO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000532142181 317362024 /nfs/dbraw/zinc/36/20/24/317362024.db2.gz LXASAZDUWZGIOP-KRWDZBQOSA-N 1 0 342.399 2.585 10 5 EFBERO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000532141865 317362049 /nfs/dbraw/zinc/36/20/49/317362049.db2.gz XNEJPLGSYQTGJC-AWEZNQCLSA-N 1 0 342.399 2.630 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000539327845 317717984 /nfs/dbraw/zinc/71/79/84/317717984.db2.gz HTZSZNWMORODOY-CABCVRRESA-N 1 0 330.384 2.994 10 5 EFBERO Cc1ccccc1C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000556056524 318377091 /nfs/dbraw/zinc/37/70/91/318377091.db2.gz RASWRNVXXMENDG-OAHLLOKOSA-N 1 0 329.400 2.628 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557004487 318423154 /nfs/dbraw/zinc/42/31/54/318423154.db2.gz ZCGHBDSNTMKICN-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000561781813 318614456 /nfs/dbraw/zinc/61/44/56/318614456.db2.gz HOPMLOJEKCMTQU-GOSISDBHSA-N 1 0 347.415 2.650 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]([NH+]3CCCCC3)C1)CCCC2 ZINC000565947673 319017391 /nfs/dbraw/zinc/01/73/91/319017391.db2.gz ZQIVVLLYNWURJB-HNNXBMFYSA-N 1 0 330.432 2.933 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000567697327 319199824 /nfs/dbraw/zinc/19/98/24/319199824.db2.gz UULOVGCZPSYFNS-OAHLLOKOSA-N 1 0 334.416 2.895 10 5 EFBERO CCc1nc(C)cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000569523796 319388080 /nfs/dbraw/zinc/38/80/80/319388080.db2.gz GAUWBJBFQGNTKW-UHFFFAOYSA-N 1 0 325.372 2.813 10 5 EFBERO Cn1nc2c(c1C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000569988260 319434329 /nfs/dbraw/zinc/43/43/29/319434329.db2.gz MTYZDQUHMQJWTM-HNNXBMFYSA-N 1 0 326.400 2.984 10 5 EFBERO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956516 319529149 /nfs/dbraw/zinc/52/91/49/319529149.db2.gz SFZQWQDOEMUGJY-KGLIPLIRSA-N 1 0 340.445 2.927 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000575133420 319928604 /nfs/dbraw/zinc/92/86/04/319928604.db2.gz VYYXPXVUGVIUPM-UHFFFAOYSA-N 1 0 335.429 2.660 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(C(F)F)CC1 ZINC000576340107 320006557 /nfs/dbraw/zinc/00/65/57/320006557.db2.gz XVWKUCSHEDQTKB-BPCQOVAHSA-N 1 0 344.358 2.748 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576758997 320046335 /nfs/dbraw/zinc/04/63/35/320046335.db2.gz NTQZAFVTSNEALY-SMDDNHRTSA-N 1 0 334.376 2.532 10 5 EFBERO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000577064226 320074400 /nfs/dbraw/zinc/07/44/00/320074400.db2.gz ZARBIVVPSWRZTL-IHRRRGAJSA-N 1 0 348.447 2.687 10 5 EFBERO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000181664528 323243670 /nfs/dbraw/zinc/24/36/70/323243670.db2.gz YTQNLCCFZYCBQJ-MRXNPFEDSA-N 1 0 346.383 2.960 10 5 EFBERO Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181825260 323252341 /nfs/dbraw/zinc/25/23/41/323252341.db2.gz XYADTRWFNFCAAZ-LLVKDONJSA-N 1 0 334.401 2.957 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000183301073 323328420 /nfs/dbraw/zinc/32/84/20/323328420.db2.gz INBGFUDPARHABL-JTDSTZFVSA-N 1 0 347.459 2.977 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000183381361 323332690 /nfs/dbraw/zinc/33/26/90/323332690.db2.gz NONJEPXDARRAKP-UHFFFAOYSA-N 1 0 335.448 2.693 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013467 323379686 /nfs/dbraw/zinc/37/96/86/323379686.db2.gz BJWMLCLTFDAHFR-STQMWFEESA-N 1 0 339.411 2.930 10 5 EFBERO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185003427 323379922 /nfs/dbraw/zinc/37/99/22/323379922.db2.gz USIROKGOBDTJSC-STQMWFEESA-N 1 0 337.395 2.828 10 5 EFBERO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000578880804 323832976 /nfs/dbraw/zinc/83/29/76/323832976.db2.gz LEUUGYCUCUSFNL-CZUORRHYSA-N 1 0 348.399 2.847 10 5 EFBERO COCC1(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000579712074 324018235 /nfs/dbraw/zinc/01/82/35/324018235.db2.gz OCFIFBDTSQRGBT-ZDUSSCGKSA-N 1 0 335.404 2.718 10 5 EFBERO Cc1c(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000580448590 324167232 /nfs/dbraw/zinc/16/72/32/324167232.db2.gz OUSIMLXNOGDRMT-SFHVURJKSA-N 1 0 339.395 2.530 10 5 EFBERO O=C(CC[NH2+]CCC[C@H]1CCCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000582846017 324683392 /nfs/dbraw/zinc/68/33/92/324683392.db2.gz UJQVGIAYJOAQKU-PBHICJAKSA-N 1 0 349.431 2.844 10 5 EFBERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583688188 324852855 /nfs/dbraw/zinc/85/28/55/324852855.db2.gz SXLVVZATTVZKQN-ZDMBXUJBSA-N 1 0 345.321 2.730 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161118240 473207888 /nfs/dbraw/zinc/20/78/88/473207888.db2.gz BEEHLDFAXVWCJU-ABAIWWIYSA-N 1 0 339.823 2.636 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000137950021 473213109 /nfs/dbraw/zinc/21/31/09/473213109.db2.gz CQRQVXDMHBOAJB-LBPRGKRZSA-N 1 0 337.445 2.921 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000161410623 473233719 /nfs/dbraw/zinc/23/37/19/473233719.db2.gz LMEPDNYGUNCCAN-GFCCVEGCSA-N 1 0 333.417 2.574 10 5 EFBERO COc1ccc(C[N@H+](C)[C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000095987342 473245243 /nfs/dbraw/zinc/24/52/43/473245243.db2.gz TVOMOHXIRDWKOQ-WMZOPIPTSA-N 1 0 328.368 2.694 10 5 EFBERO Cc1cc(N2CC[NH+](C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000141053413 473250843 /nfs/dbraw/zinc/25/08/43/473250843.db2.gz CCEAVRYOEZFFDB-UHFFFAOYSA-N 1 0 339.399 2.645 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000176968239 473277260 /nfs/dbraw/zinc/27/72/60/473277260.db2.gz LDAWKEVCATZGNC-HNNXBMFYSA-N 1 0 346.431 2.725 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000190449612 473278481 /nfs/dbraw/zinc/27/84/81/473278481.db2.gz FTXOMRJTAUVCNU-MRXNPFEDSA-N 1 0 326.400 2.948 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000190449592 473278905 /nfs/dbraw/zinc/27/89/05/473278905.db2.gz FTXOMRJTAUVCNU-INIZCTEOSA-N 1 0 326.400 2.948 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124798971 473304351 /nfs/dbraw/zinc/30/43/51/473304351.db2.gz WEGMLUOAXJLKSF-GXTWGEPZSA-N 1 0 337.445 2.628 10 5 EFBERO CSc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000113232377 473372012 /nfs/dbraw/zinc/37/20/12/473372012.db2.gz NHQPFXCYQGTKGZ-DGCLKSJQSA-N 1 0 335.429 2.625 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000125195384 473372024 /nfs/dbraw/zinc/37/20/24/473372024.db2.gz AEVKNLXWPDJVFK-CZUORRHYSA-N 1 0 333.432 2.634 10 5 EFBERO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592153587 478801242 /nfs/dbraw/zinc/80/12/42/478801242.db2.gz HCPIGNRPOBOKPI-GDBMZVCRSA-N 1 0 333.432 2.905 10 5 EFBERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479645 478811634 /nfs/dbraw/zinc/81/16/34/478811634.db2.gz GGQZZLHYCJVADB-SWLSCSKDSA-N 1 0 334.420 2.828 10 5 EFBERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599934976 479475430 /nfs/dbraw/zinc/47/54/30/479475430.db2.gz TZBIYRIEELQRDR-KBMXLJTQSA-N 1 0 346.431 2.624 10 5 EFBERO C[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCC1 ZINC000000001399 471317845 /nfs/dbraw/zinc/31/78/45/471317845.db2.gz VQBOTFUMIIUSAV-UHFFFAOYSA-N 1 0 340.443 2.706 10 5 in-man EFBERO CC[NH+](CC)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000038542104 472019557 /nfs/dbraw/zinc/01/95/57/472019557.db2.gz DZXCZVQNDAJUFK-UHFFFAOYSA-N 1 0 337.423 2.753 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054132084 472061440 /nfs/dbraw/zinc/06/14/40/472061440.db2.gz VJYVVDNORWZVSR-INIZCTEOSA-N 1 0 331.347 2.767 10 5 EFBERO CC[NH2+]CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054267347 472071993 /nfs/dbraw/zinc/07/19/93/472071993.db2.gz WIJANMKGNOAZHD-UHFFFAOYSA-N 1 0 339.193 2.927 10 5 EFBERO Cc1sc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054265553 472072099 /nfs/dbraw/zinc/07/20/99/472072099.db2.gz CLXLVGQNLURHHT-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO COc1ccc(CC(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067913751 472108618 /nfs/dbraw/zinc/10/86/18/472108618.db2.gz OTDVRFIRJNICID-UHFFFAOYSA-N 1 0 349.431 2.527 10 5 EFBERO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)CC(C)C ZINC000042546463 472143466 /nfs/dbraw/zinc/14/34/66/472143466.db2.gz RBUQVOJXVVJDCF-CQSZACIVSA-N 1 0 336.436 2.785 10 5 EFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068223221 472152095 /nfs/dbraw/zinc/15/20/95/472152095.db2.gz FKKDOOKOXFXCMH-LLVKDONJSA-N 1 0 327.812 2.954 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000068904680 472263219 /nfs/dbraw/zinc/26/32/19/472263219.db2.gz RKEMNAHDOQFEKM-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000056325136 472305905 /nfs/dbraw/zinc/30/59/05/472305905.db2.gz ATWDWOXQQPUBCN-UHFFFAOYSA-N 1 0 332.404 2.935 10 5 EFBERO Cc1sc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000045124268 472374574 /nfs/dbraw/zinc/37/45/74/472374574.db2.gz UQTXHBFVBXKONM-AWEZNQCLSA-N 1 0 347.440 2.867 10 5 EFBERO CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000069847994 472451414 /nfs/dbraw/zinc/45/14/14/472451414.db2.gz WILWZWLOAPJUTQ-UHFFFAOYSA-N 1 0 325.796 2.806 10 5 EFBERO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513421 472452407 /nfs/dbraw/zinc/45/24/07/472452407.db2.gz JFNCTUZXSPBRRR-KBXCAEBGSA-N 1 0 339.395 2.874 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032737759 472460834 /nfs/dbraw/zinc/46/08/34/472460834.db2.gz GELWEBHXRVFLIN-QWRGUYRKSA-N 1 0 325.434 2.957 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000128603815 472474258 /nfs/dbraw/zinc/47/42/58/472474258.db2.gz ULXOBNQEGRNHBK-RHSMWYFYSA-N 1 0 348.447 2.509 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154817292 472476106 /nfs/dbraw/zinc/47/61/06/472476106.db2.gz AWSMNYSPWSNTFW-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000070039835 472490456 /nfs/dbraw/zinc/49/04/56/472490456.db2.gz YUSAPPMEURHKIQ-HNNXBMFYSA-N 1 0 347.415 2.694 10 5 EFBERO CCc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000101354040 472532067 /nfs/dbraw/zinc/53/20/67/472532067.db2.gz VIPBVWOVKUYUIK-HNNXBMFYSA-N 1 0 330.388 2.635 10 5 EFBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCCC1 ZINC000130224792 472590664 /nfs/dbraw/zinc/59/06/64/472590664.db2.gz AUXIUYBWQVUFPY-ZDUSSCGKSA-N 1 0 344.415 2.928 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000155755693 472610082 /nfs/dbraw/zinc/61/00/82/472610082.db2.gz XERWRORAQNDLTK-YGRLFVJLSA-N 1 0 325.796 2.707 10 5 EFBERO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538891 472631479 /nfs/dbraw/zinc/63/14/79/472631479.db2.gz SYQKKIRYYXSYOV-MRXNPFEDSA-N 1 0 330.388 2.912 10 5 EFBERO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538892 472632459 /nfs/dbraw/zinc/63/24/59/472632459.db2.gz SYQKKIRYYXSYOV-INIZCTEOSA-N 1 0 330.388 2.912 10 5 EFBERO C[C@@H]1C[NH+](Cc2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)C[C@@H](C)O1 ZINC000077983151 472649006 /nfs/dbraw/zinc/64/90/06/472649006.db2.gz CYCZCNFLLULBAW-CHWSQXEVSA-N 1 0 345.403 2.681 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000156009867 472655391 /nfs/dbraw/zinc/65/53/91/472655391.db2.gz UUJJLFOFARXCEJ-ZDUSSCGKSA-N 1 0 344.415 2.926 10 5 EFBERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000078674858 472752516 /nfs/dbraw/zinc/75/25/16/472752516.db2.gz VZRBWLHUODXPPG-MRXNPFEDSA-N 1 0 326.400 2.948 10 5 EFBERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000078674856 472752723 /nfs/dbraw/zinc/75/27/23/472752723.db2.gz VZRBWLHUODXPPG-INIZCTEOSA-N 1 0 326.400 2.948 10 5 EFBERO COC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000091453362 472766599 /nfs/dbraw/zinc/76/65/99/472766599.db2.gz HDMVXNIIYRJPQY-CQSZACIVSA-N 1 0 347.415 2.754 10 5 EFBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000091482296 472772219 /nfs/dbraw/zinc/77/22/19/472772219.db2.gz ZRGFGXCQMMJNKC-HNNXBMFYSA-N 1 0 346.431 2.539 10 5 EFBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000091482298 472772700 /nfs/dbraw/zinc/77/27/00/472772700.db2.gz ZRGFGXCQMMJNKC-OAHLLOKOSA-N 1 0 346.431 2.539 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799113 472777341 /nfs/dbraw/zinc/77/73/41/472777341.db2.gz PKMYIJJVTSCVAD-AWEZNQCLSA-N 1 0 327.388 2.658 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799116 472777390 /nfs/dbraw/zinc/77/73/90/472777390.db2.gz PKMYIJJVTSCVAD-CQSZACIVSA-N 1 0 327.388 2.658 10 5 EFBERO Cn1cc(CN2CCC([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091669224 472790862 /nfs/dbraw/zinc/79/08/62/472790862.db2.gz INXAGRGKOYBCJP-UHFFFAOYSA-N 1 0 343.431 2.521 10 5 EFBERO Cn1ccnc1CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876760 472794306 /nfs/dbraw/zinc/79/43/06/472794306.db2.gz DKHPWTQPLJVLFU-UHFFFAOYSA-N 1 0 344.415 2.662 10 5 EFBERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157181267 472794316 /nfs/dbraw/zinc/79/43/16/472794316.db2.gz QDHQRRMJUOURDZ-SJKOYZFVSA-N 1 0 342.399 2.632 10 5 EFBERO C[C@@H]1C[N@@H+](CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000079021911 472807950 /nfs/dbraw/zinc/80/79/50/472807950.db2.gz SCGMNKQRTCNGCP-GASCZTMLSA-N 1 0 348.447 2.706 10 5 EFBERO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000106867295 472902076 /nfs/dbraw/zinc/90/20/76/472902076.db2.gz OVSLFCVMDDNPKL-KRWDZBQOSA-N 1 0 349.431 2.839 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065201917 472907432 /nfs/dbraw/zinc/90/74/32/472907432.db2.gz ODMMEPULXGRAAC-HNNXBMFYSA-N 1 0 329.404 2.795 10 5 EFBERO Cc1c(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121763370 472908649 /nfs/dbraw/zinc/90/86/49/472908649.db2.gz VKDFSMHJDVNOSM-QGZVFWFLSA-N 1 0 345.443 2.923 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000121842107 472927150 /nfs/dbraw/zinc/92/71/50/472927150.db2.gz HJHDVPSZBTXOPJ-CQSZACIVSA-N 1 0 335.404 2.733 10 5 EFBERO O=C(C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000134832082 472972852 /nfs/dbraw/zinc/97/28/52/472972852.db2.gz XBQPODQGQNSIMK-OAHLLOKOSA-N 1 0 346.362 2.668 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074315731 472986187 /nfs/dbraw/zinc/98/61/87/472986187.db2.gz CQOUPGYVLSTDDA-OAHLLOKOSA-N 1 0 331.416 2.707 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000107887634 472990230 /nfs/dbraw/zinc/99/02/30/472990230.db2.gz NXDXQGXDHQDOMM-OLZOCXBDSA-N 1 0 337.445 2.533 10 5 EFBERO CCc1nn(C)c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000092829707 472996265 /nfs/dbraw/zinc/99/62/65/472996265.db2.gz KATGRUDLKRVAPX-HNNXBMFYSA-N 1 0 349.479 2.983 10 5 EFBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566625 473039640 /nfs/dbraw/zinc/03/96/40/473039640.db2.gz DNJJNYNDOGQESE-TZMCWYRMSA-N 1 0 343.383 2.941 10 5 EFBERO Cc1ccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000080655143 473063642 /nfs/dbraw/zinc/06/36/42/473063642.db2.gz VAJGDCJZNFRZKR-INIZCTEOSA-N 1 0 332.448 2.510 10 5 EFBERO Cc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000093272511 473072243 /nfs/dbraw/zinc/07/22/43/473072243.db2.gz BNSKXMYNADRTMU-UHFFFAOYSA-N 1 0 341.415 2.794 10 5 EFBERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000052554458 473124058 /nfs/dbraw/zinc/12/40/58/473124058.db2.gz MIKXBAIQUUWSFJ-INIZCTEOSA-N 1 0 327.384 2.936 10 5 EFBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814120 473126199 /nfs/dbraw/zinc/12/61/99/473126199.db2.gz MTAFMIXEAZRIHN-SFHVURJKSA-N 1 0 339.395 2.875 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000160472396 473129560 /nfs/dbraw/zinc/12/95/60/473129560.db2.gz IGFVXZPEAJSTQM-OAHLLOKOSA-N 1 0 349.431 2.600 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930659 473165229 /nfs/dbraw/zinc/16/52/29/473165229.db2.gz JQHRIVYOBKQYSJ-CJNGLKHVSA-N 1 0 331.416 2.894 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000081331034 473185649 /nfs/dbraw/zinc/18/56/49/473185649.db2.gz VAKZUCNRWDSORZ-CQSZACIVSA-N 1 0 349.431 2.797 10 5 EFBERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185323103 473393590 /nfs/dbraw/zinc/39/35/90/473393590.db2.gz PFDAJPJQCUNZDB-LBPRGKRZSA-N 1 0 343.811 2.526 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000125643599 473438817 /nfs/dbraw/zinc/43/88/17/473438817.db2.gz SYJRYINXBLVEFF-UHFFFAOYSA-N 1 0 333.432 2.684 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163450373 473446611 /nfs/dbraw/zinc/44/66/11/473446611.db2.gz SKYCJUKUGSLJHZ-CQSZACIVSA-N 1 0 348.447 2.999 10 5 EFBERO Cc1c(Br)c(NC[C@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000165812983 473516919 /nfs/dbraw/zinc/51/69/19/473516919.db2.gz ZAVDBRZEUFLREX-SECBINFHSA-N 1 0 329.198 2.615 10 5 EFBERO CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000165733607 473515228 /nfs/dbraw/zinc/51/52/28/473515228.db2.gz SPQQDUXSBHVKIE-SNVBAGLBSA-N 1 0 343.225 2.957 10 5 EFBERO Cc1c(Br)c(N2CCC[C@H](C)[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165824908 473516806 /nfs/dbraw/zinc/51/68/06/473516806.db2.gz QKKKWVIWLKDAIV-WPRPVWTQSA-N 1 0 343.225 2.624 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152629052 473583902 /nfs/dbraw/zinc/58/39/02/473583902.db2.gz WPOWARNVOKUWTQ-ZDUSSCGKSA-N 1 0 335.404 2.657 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000153910034 473649496 /nfs/dbraw/zinc/64/94/96/473649496.db2.gz MQBPYNFITPNVKA-MRXNPFEDSA-N 1 0 346.358 2.532 10 5 EFBERO Cn1cc(C[N@H+](C)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127982851 473669444 /nfs/dbraw/zinc/66/94/44/473669444.db2.gz SGTPINWMNKJXDM-MRXNPFEDSA-N 1 0 330.388 2.606 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186520809 473685312 /nfs/dbraw/zinc/68/53/12/473685312.db2.gz UBDSXTVPANYRAO-QWHCGFSZSA-N 1 0 349.456 2.818 10 5 EFBERO C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000287720930 473743384 /nfs/dbraw/zinc/74/33/84/473743384.db2.gz FIJQLXBFAUAHJK-CMPLNLGQSA-N 1 0 344.400 2.884 10 5 EFBERO CSc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000186795218 473757838 /nfs/dbraw/zinc/75/78/38/473757838.db2.gz BULLGCQQHRQPKM-YPMHNXCESA-N 1 0 337.445 2.775 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000281568309 473768664 /nfs/dbraw/zinc/76/86/64/473768664.db2.gz MBQKCUUVZXNHLE-LSDHHAIUSA-N 1 0 349.431 2.613 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000281568306 473768928 /nfs/dbraw/zinc/76/89/28/473768928.db2.gz MBQKCUUVZXNHLE-HUUCEWRRSA-N 1 0 349.431 2.613 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193316112 473780679 /nfs/dbraw/zinc/78/06/79/473780679.db2.gz PZSBVLPFZJYBEC-NWDGAFQWSA-N 1 0 348.321 2.609 10 5 EFBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369303 473817824 /nfs/dbraw/zinc/81/78/24/473817824.db2.gz GNJFJOQTHWPMBO-JSGCOSHPSA-N 1 0 329.404 2.975 10 5 EFBERO COc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000187103447 473818520 /nfs/dbraw/zinc/81/85/20/473818520.db2.gz XSVQGNUVFGSNJF-GFCCVEGCSA-N 1 0 344.371 2.678 10 5 EFBERO COc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000187103428 473818790 /nfs/dbraw/zinc/81/87/90/473818790.db2.gz XSVQGNUVFGSNJF-LBPRGKRZSA-N 1 0 344.371 2.678 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180183970 473820748 /nfs/dbraw/zinc/82/07/48/473820748.db2.gz MAPZNPMBEHBYRN-IRXDYDNUSA-N 1 0 325.368 2.770 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180197322 473826217 /nfs/dbraw/zinc/82/62/17/473826217.db2.gz AFPQJYFBJQNJFW-RDJZCZTQSA-N 1 0 343.358 2.909 10 5 EFBERO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000173493116 473853874 /nfs/dbraw/zinc/85/38/74/473853874.db2.gz CZNLMPIOFVVRMS-HOTGVXAUSA-N 1 0 331.416 2.856 10 5 EFBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269687590 473861626 /nfs/dbraw/zinc/86/16/26/473861626.db2.gz PDJZVUDIFUKLGD-LBPRGKRZSA-N 1 0 345.321 2.780 10 5 EFBERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246582403 473907450 /nfs/dbraw/zinc/90/74/50/473907450.db2.gz CHVBFRKZOOYONL-JLJPHGGASA-N 1 0 346.431 2.782 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187859550 473932739 /nfs/dbraw/zinc/93/27/39/473932739.db2.gz YFOWZRHTVWGKOC-IUODEOHRSA-N 1 0 335.404 2.859 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000246854801 473984298 /nfs/dbraw/zinc/98/42/98/473984298.db2.gz CQYDMNWPGZHISQ-JSGCOSHPSA-N 1 0 342.399 2.775 10 5 EFBERO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264564651 474039549 /nfs/dbraw/zinc/03/95/49/474039549.db2.gz VPJBEGLOVUSGDL-QGZVFWFLSA-N 1 0 332.448 2.510 10 5 EFBERO Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506144 474042627 /nfs/dbraw/zinc/04/26/27/474042627.db2.gz YLMGNZCXKOFTNG-CQSZACIVSA-N 1 0 341.289 2.955 10 5 EFBERO CC[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561090 474049197 /nfs/dbraw/zinc/04/91/97/474049197.db2.gz ICLIGAXIKDRREG-RDJZCZTQSA-N 1 0 334.372 2.806 10 5 EFBERO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000270290998 474060750 /nfs/dbraw/zinc/06/07/50/474060750.db2.gz ZROWBADAMNTTLV-UHFFFAOYSA-N 1 0 347.337 2.772 10 5 EFBERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869588 474109685 /nfs/dbraw/zinc/10/96/85/474109685.db2.gz LNACADRCSKEFNX-DZGCQCFKSA-N 1 0 330.388 2.678 10 5 EFBERO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000174875579 474110784 /nfs/dbraw/zinc/11/07/84/474110784.db2.gz KMQBHHLFHGRLBT-UHFFFAOYSA-N 1 0 333.367 2.507 10 5 EFBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247307140 474114408 /nfs/dbraw/zinc/11/44/08/474114408.db2.gz QDHQRRMJUOURDZ-SJCJKPOMSA-N 1 0 342.399 2.632 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000175010829 474131324 /nfs/dbraw/zinc/13/13/24/474131324.db2.gz QOZBWMXXTSWWAN-OAHLLOKOSA-N 1 0 349.431 2.615 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+]2CCC1CC2 ZINC000188619754 474143453 /nfs/dbraw/zinc/14/34/53/474143453.db2.gz JRDWNMISCDCCPI-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000247538106 474175560 /nfs/dbraw/zinc/17/55/60/474175560.db2.gz XVBCXFBVPKDCOD-JQWIXIFHSA-N 1 0 325.434 2.767 10 5 EFBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000182569270 474208728 /nfs/dbraw/zinc/20/87/28/474208728.db2.gz MYNFLWNNPHPMNA-JTQLQIEISA-N 1 0 339.193 2.905 10 5 EFBERO C[NH+](C)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182625374 474220581 /nfs/dbraw/zinc/22/05/81/474220581.db2.gz RQOFZQWQBGUCQA-LLVKDONJSA-N 1 0 343.836 2.503 10 5 EFBERO Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182917625 474286818 /nfs/dbraw/zinc/28/68/18/474286818.db2.gz AWDUVEMZLVTZLR-AWEZNQCLSA-N 1 0 344.415 2.710 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000183022437 474308410 /nfs/dbraw/zinc/30/84/10/474308410.db2.gz QXMIKNQWHDNEQZ-VIFPVBQESA-N 1 0 327.793 2.822 10 5 EFBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000175851172 474325409 /nfs/dbraw/zinc/32/54/09/474325409.db2.gz SRHYJKGOMUEVKM-QGZVFWFLSA-N 1 0 334.372 2.732 10 5 EFBERO CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953919 474347403 /nfs/dbraw/zinc/34/74/03/474347403.db2.gz YNPYAAKUFJMRNH-GOEBONIOSA-N 1 0 334.420 2.829 10 5 EFBERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216891 474352345 /nfs/dbraw/zinc/35/23/45/474352345.db2.gz GHTAURKRZXZRRI-JOYOIKCWSA-N 1 0 346.330 2.862 10 5 EFBERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216908 474352649 /nfs/dbraw/zinc/35/26/49/474352649.db2.gz GHTAURKRZXZRRI-BXKDBHETSA-N 1 0 346.330 2.862 10 5 EFBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000189331725 474362904 /nfs/dbraw/zinc/36/29/04/474362904.db2.gz UPZSDNMONMSYFL-BLLLJJGKSA-N 1 0 335.404 2.589 10 5 EFBERO Cc1cc(C)cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000183465125 474383066 /nfs/dbraw/zinc/38/30/66/474383066.db2.gz ZLOMXLIETQFFPG-MRXNPFEDSA-N 1 0 341.411 2.863 10 5 EFBERO Cc1sc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271068672 474393664 /nfs/dbraw/zinc/39/36/64/474393664.db2.gz XRJUUGCLDSERRG-JTQLQIEISA-N 1 0 325.434 2.767 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248649246 474393676 /nfs/dbraw/zinc/39/36/76/474393676.db2.gz RGJGXCQLSVHNLC-ZIAGYGMSSA-N 1 0 332.404 2.912 10 5 EFBERO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000176237755 474418920 /nfs/dbraw/zinc/41/89/20/474418920.db2.gz KLVSPTIEPZUDAJ-CQSZACIVSA-N 1 0 332.404 2.753 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237539908 474425019 /nfs/dbraw/zinc/42/50/19/474425019.db2.gz CYUHUZBAFWBHDN-KIFYNCCSSA-N 1 0 349.456 2.817 10 5 EFBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000176299434 474434286 /nfs/dbraw/zinc/43/42/86/474434286.db2.gz PCNWPAIKZZCWRU-OCCSQVGLSA-N 1 0 342.399 2.775 10 5 EFBERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176317173 474438774 /nfs/dbraw/zinc/43/87/74/474438774.db2.gz KERKIAVSPRILCG-JKSUJKDBSA-N 1 0 334.420 2.829 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248842230 474452731 /nfs/dbraw/zinc/45/27/31/474452731.db2.gz NWHZSQCRJQTYFP-QGPMSJSTSA-N 1 0 345.443 2.859 10 5 EFBERO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189679216 474462840 /nfs/dbraw/zinc/46/28/40/474462840.db2.gz ZBPPDJPVTOWGIT-UHFFFAOYSA-N 1 0 341.415 2.560 10 5 EFBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189710876 474467785 /nfs/dbraw/zinc/46/77/85/474467785.db2.gz PLUTTWVITDCIRE-OAHLLOKOSA-N 1 0 349.431 2.559 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266779874 474479543 /nfs/dbraw/zinc/47/95/43/474479543.db2.gz USSBRUGKOCUNCZ-UHFFFAOYSA-N 1 0 330.388 2.966 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737396 474523746 /nfs/dbraw/zinc/52/37/46/474523746.db2.gz OEQJPELUGQYTFJ-GOEBONIOSA-N 1 0 344.415 2.620 10 5 EFBERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000249200445 474544288 /nfs/dbraw/zinc/54/42/88/474544288.db2.gz QUOGAXHPABVMES-SUMWQHHRSA-N 1 0 344.415 2.852 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000249261300 474550070 /nfs/dbraw/zinc/55/00/70/474550070.db2.gz HSBXFNWFDPVRGM-JSGCOSHPSA-N 1 0 348.403 2.694 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435581 474586464 /nfs/dbraw/zinc/58/64/64/474586464.db2.gz QNEKLPRETOXPBT-WMLDXEAASA-N 1 0 348.447 2.504 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000284187827 474590985 /nfs/dbraw/zinc/59/09/85/474590985.db2.gz GBASMWQDBWKBNP-UNEWFSDZSA-N 1 0 338.448 2.664 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000284187824 474591338 /nfs/dbraw/zinc/59/13/38/474591338.db2.gz GBASMWQDBWKBNP-UKPHBRMFSA-N 1 0 338.448 2.664 10 5 EFBERO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154098 474603871 /nfs/dbraw/zinc/60/38/71/474603871.db2.gz DCASNMLVAQUDOQ-APPDUMDISA-N 1 0 334.347 2.954 10 5 EFBERO C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000291625051 474634755 /nfs/dbraw/zinc/63/47/55/474634755.db2.gz HFTLQSAPBVTYGP-BLLLJJGKSA-N 1 0 343.383 2.722 10 5 EFBERO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000267283501 474637745 /nfs/dbraw/zinc/63/77/45/474637745.db2.gz VUEJAQZXMBNULD-ZJUUUORDSA-N 1 0 343.225 2.671 10 5 EFBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000251539708 474639074 /nfs/dbraw/zinc/63/90/74/474639074.db2.gz DPIXRZKRUUTVAJ-LRDDRELGSA-N 1 0 335.404 2.589 10 5 EFBERO COc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914858 474640694 /nfs/dbraw/zinc/64/06/94/474640694.db2.gz HIALLCURJAZCGY-KGLIPLIRSA-N 1 0 346.383 2.694 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251651605 474641298 /nfs/dbraw/zinc/64/12/98/474641298.db2.gz JHNYDAQNZGVFJJ-BRWVUGGUSA-N 1 0 330.388 2.598 10 5 EFBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284447770 474641812 /nfs/dbraw/zinc/64/18/12/474641812.db2.gz CHFSTOPUNJVKLJ-UONOGXRCSA-N 1 0 345.321 2.523 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1NCCCC[NH+]1CCOCC1 ZINC000291671241 474646360 /nfs/dbraw/zinc/64/63/60/474646360.db2.gz QCFXEVVDFJOITB-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO CO[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C ZINC000251929393 474651847 /nfs/dbraw/zinc/65/18/47/474651847.db2.gz SZRDHILWFDKRQY-BXUZGUMPSA-N 1 0 332.360 2.502 10 5 EFBERO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340818816 474688120 /nfs/dbraw/zinc/68/81/20/474688120.db2.gz NPYXMLYLCPLESJ-QGZVFWFLSA-N 1 0 342.399 2.918 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000252511017 474689122 /nfs/dbraw/zinc/68/91/22/474689122.db2.gz CZGZXOMKEWZJET-FSSNUXCQSA-N 1 0 346.427 2.845 10 5 EFBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000284618379 474691798 /nfs/dbraw/zinc/69/17/98/474691798.db2.gz SSASOYIYCSKJTO-KBPBESRZSA-N 1 0 345.321 2.523 10 5 EFBERO O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000278547703 474695578 /nfs/dbraw/zinc/69/55/78/474695578.db2.gz VNMFKZTZLDKEEF-AWEZNQCLSA-N 1 0 329.404 2.926 10 5 EFBERO COC(=O)c1cc(NC[C@@H](c2ccco2)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000267992248 474741720 /nfs/dbraw/zinc/74/17/20/474741720.db2.gz QXZSZNCMQIHWHH-AWEZNQCLSA-N 1 0 347.371 2.998 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000278658506 474759090 /nfs/dbraw/zinc/75/90/90/474759090.db2.gz NYSUUZHSRFZUCZ-GXFFZTMASA-N 1 0 337.807 2.769 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000344849532 474800543 /nfs/dbraw/zinc/80/05/43/474800543.db2.gz DNNZTDAVLWGXRU-ZDUSSCGKSA-N 1 0 344.371 2.853 10 5 EFBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338999682 474819718 /nfs/dbraw/zinc/81/97/18/474819718.db2.gz IZXPMFYTDUXCSC-LQDVMPOASA-N 1 0 342.399 2.945 10 5 EFBERO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339040239 474866456 /nfs/dbraw/zinc/86/64/56/474866456.db2.gz DQRCIGBAZCQQHG-ZDUSSCGKSA-N 1 0 345.403 2.852 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268230131 474874277 /nfs/dbraw/zinc/87/42/77/474874277.db2.gz VCBWBDROGAJSGJ-GFCCVEGCSA-N 1 0 325.384 2.911 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268230133 474874947 /nfs/dbraw/zinc/87/49/47/474874947.db2.gz VCBWBDROGAJSGJ-LBPRGKRZSA-N 1 0 325.384 2.911 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229802 474878443 /nfs/dbraw/zinc/87/84/43/474878443.db2.gz FVSRFDNKSDOPDE-AEFFLSMTSA-N 1 0 346.431 2.783 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255615386 474880958 /nfs/dbraw/zinc/88/09/58/474880958.db2.gz AZWDLXKMQPSZLK-BXYJRTLCSA-N 1 0 329.400 2.693 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232214 474917226 /nfs/dbraw/zinc/91/72/26/474917226.db2.gz VYKKGTHJTMYNFU-SFHVURJKSA-N 1 0 333.432 2.910 10 5 EFBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000320758763 474917727 /nfs/dbraw/zinc/91/77/27/474917727.db2.gz BGQRADKUCKCHLB-YUMQZZPRSA-N 1 0 349.172 2.737 10 5 EFBERO CCCN(CC[NH+]1CCCCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000341056951 474924457 /nfs/dbraw/zinc/92/44/57/474924457.db2.gz WMAFLJDNFXLWIQ-UHFFFAOYSA-N 1 0 346.435 2.730 10 5 EFBERO O=C(CC[N@@H+](CCO)CC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337355607 474931172 /nfs/dbraw/zinc/93/11/72/474931172.db2.gz BZEQILKWQGZOJL-UHFFFAOYSA-N 1 0 349.431 2.798 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322050349 474933951 /nfs/dbraw/zinc/93/39/51/474933951.db2.gz ARNXVOICMDDWKJ-XHDPSFHLSA-N 1 0 337.807 2.852 10 5 EFBERO CCOc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341071893 474942474 /nfs/dbraw/zinc/94/24/74/474942474.db2.gz SDNVSSGLGYBGQJ-KBPBESRZSA-N 1 0 349.431 2.986 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124322 475001356 /nfs/dbraw/zinc/00/13/56/475001356.db2.gz VITLENZRJLTCAR-OKILXGFUSA-N 1 0 334.420 2.657 10 5 EFBERO COC(=O)c1cc(N2CCC([NH2+]C(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268474517 475001690 /nfs/dbraw/zinc/00/16/90/475001690.db2.gz JBINTJWVUQJTOM-UHFFFAOYSA-N 1 0 335.404 2.657 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402512 475047088 /nfs/dbraw/zinc/04/70/88/475047088.db2.gz MOICIGZVPALQFI-GASCZTMLSA-N 1 0 348.447 2.999 10 5 EFBERO COc1ccc(CN(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261848296 475084470 /nfs/dbraw/zinc/08/44/70/475084470.db2.gz XRNOFFPPDRLLBQ-UHFFFAOYSA-N 1 0 329.400 2.607 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534948 475104353 /nfs/dbraw/zinc/10/43/53/475104353.db2.gz XGJHZLLFNXWGQM-SWLSCSKDSA-N 1 0 326.418 2.555 10 5 EFBERO Cn1cc(C[N@@H+]2CCOCC3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341537444 475125689 /nfs/dbraw/zinc/12/56/89/475125689.db2.gz VGTBZFLEVRBYJD-UHFFFAOYSA-N 1 0 342.399 2.608 10 5 EFBERO CS[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273941691 475128325 /nfs/dbraw/zinc/12/83/25/475128325.db2.gz DEEFOPXRXISDGP-IRXDYDNUSA-N 1 0 335.473 2.649 10 5 EFBERO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552575 475137680 /nfs/dbraw/zinc/13/76/80/475137680.db2.gz HCLPDAWTRRDNSW-RDTXWAMCSA-N 1 0 339.395 2.874 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378866 475233273 /nfs/dbraw/zinc/23/32/73/475233273.db2.gz MUZZLORCOSJQHQ-INIZCTEOSA-N 1 0 348.447 2.696 10 5 EFBERO CN(C(=O)C[NH2+][C@@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000347332561 475239352 /nfs/dbraw/zinc/23/93/52/475239352.db2.gz CDNCYQSOFMKKBG-GOSISDBHSA-N 1 0 340.383 2.694 10 5 EFBERO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352400662 475258289 /nfs/dbraw/zinc/25/82/89/475258289.db2.gz SLNVQQKDDIRKNU-OAHLLOKOSA-N 1 0 349.431 2.732 10 5 EFBERO COc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000339502148 475259634 /nfs/dbraw/zinc/25/96/34/475259634.db2.gz NIZJMFPDOJINTE-UHFFFAOYSA-N 1 0 328.372 2.603 10 5 EFBERO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361230453 475288126 /nfs/dbraw/zinc/28/81/26/475288126.db2.gz UITZOPRHRVVEHI-MRXNPFEDSA-N 1 0 330.388 2.606 10 5 EFBERO Cc1c(Br)c(N2CCC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000347411225 475306127 /nfs/dbraw/zinc/30/61/27/475306127.db2.gz IJKWQYAUJCZVCS-JTQLQIEISA-N 1 0 343.225 2.591 10 5 EFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@H]1n1cccn1 ZINC000339598963 475335577 /nfs/dbraw/zinc/33/55/77/475335577.db2.gz RLYYKJLKIAEEHS-BRWVUGGUSA-N 1 0 330.388 2.608 10 5 EFBERO CNC(=O)CCOC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352546547 475400340 /nfs/dbraw/zinc/40/03/40/475400340.db2.gz WSDKNPRRCRQHDA-CQSZACIVSA-N 1 0 349.431 2.581 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000341973672 475462712 /nfs/dbraw/zinc/46/27/12/475462712.db2.gz VKQOCPZCKLUMFK-UHFFFAOYSA-N 1 0 325.796 2.771 10 5 EFBERO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1C ZINC000296766403 475467945 /nfs/dbraw/zinc/46/79/45/475467945.db2.gz ABLUSUDGZGXMSR-UHFFFAOYSA-N 1 0 347.415 2.659 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348210072 475489547 /nfs/dbraw/zinc/48/95/47/475489547.db2.gz BLFSXDRQMQZPCQ-YOEHRIQHSA-N 1 0 329.400 2.677 10 5 EFBERO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000342025062 475513702 /nfs/dbraw/zinc/51/37/02/475513702.db2.gz TVFXNGXJIUFIDE-OAHLLOKOSA-N 1 0 336.388 2.588 10 5 EFBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247510 475521343 /nfs/dbraw/zinc/52/13/43/475521343.db2.gz SSAAYWSYBCUTBW-UTUOFQBUSA-N 1 0 348.321 2.607 10 5 EFBERO CS(=O)(=O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685612 475530359 /nfs/dbraw/zinc/53/03/59/475530359.db2.gz VHHHGDAQQBFOMD-KRWDZBQOSA-N 1 0 348.424 2.709 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCCC[C@@H]3CCO)n2)cc1 ZINC000342071461 475546956 /nfs/dbraw/zinc/54/69/56/475546956.db2.gz XSKMFASVMPRZHQ-CQSZACIVSA-N 1 0 346.387 2.772 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000358300104 475572654 /nfs/dbraw/zinc/57/26/54/475572654.db2.gz HHILRKGTUDDCFQ-ZDUSSCGKSA-N 1 0 337.420 2.844 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000358300103 475572922 /nfs/dbraw/zinc/57/29/22/475572922.db2.gz HHILRKGTUDDCFQ-CYBMUJFWSA-N 1 0 337.420 2.844 10 5 EFBERO CC1=CC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000358344280 475606702 /nfs/dbraw/zinc/60/67/02/475606702.db2.gz OFHVZEBEPLQDAD-UHFFFAOYSA-N 1 0 330.388 2.543 10 5 EFBERO CNC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000361641004 475621781 /nfs/dbraw/zinc/62/17/81/475621781.db2.gz WYQROFTZDIKXEZ-MRXNPFEDSA-N 1 0 327.384 2.870 10 5 EFBERO CCOc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000355205669 475742481 /nfs/dbraw/zinc/74/24/81/475742481.db2.gz ZLUKLYKSGOCTPU-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340153037 475806146 /nfs/dbraw/zinc/80/61/46/475806146.db2.gz VRGZBWGDUCSVMX-INIZCTEOSA-N 1 0 326.400 2.878 10 5 EFBERO CC1=CC[N@H+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358665580 475844248 /nfs/dbraw/zinc/84/42/48/475844248.db2.gz MNWBDPPDMOYWHT-UHFFFAOYSA-N 1 0 346.431 2.781 10 5 EFBERO Cc1c(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000358690035 475862581 /nfs/dbraw/zinc/86/25/81/475862581.db2.gz MTNUZSRYMTYFKU-UHFFFAOYSA-N 1 0 348.447 2.967 10 5 EFBERO CC[N@@H+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000343265791 475904884 /nfs/dbraw/zinc/90/48/84/475904884.db2.gz CEAZCTHUWDVFIL-AWEZNQCLSA-N 1 0 341.415 2.891 10 5 EFBERO CS[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000362016274 475939039 /nfs/dbraw/zinc/93/90/39/475939039.db2.gz PKXUPCJFGFNJIL-OLZOCXBDSA-N 1 0 327.475 2.668 10 5 EFBERO COc1cc(CN2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026884 475947762 /nfs/dbraw/zinc/94/77/62/475947762.db2.gz NEMXAHWCXBYAMH-OAHLLOKOSA-N 1 0 348.428 2.627 10 5 EFBERO COc1ccc(OCC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298245697 476032867 /nfs/dbraw/zinc/03/28/67/476032867.db2.gz JQHNFPYXTBIYLV-LSDHHAIUSA-N 1 0 342.342 2.959 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347017496 476038008 /nfs/dbraw/zinc/03/80/08/476038008.db2.gz OXNAELRBVNAQRE-SWLSCSKDSA-N 1 0 349.456 2.771 10 5 EFBERO Cc1sc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000298399451 476080383 /nfs/dbraw/zinc/08/03/83/476080383.db2.gz SSASDKHTXQNELF-UHFFFAOYSA-N 1 0 325.434 2.910 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340530496 476088413 /nfs/dbraw/zinc/08/84/13/476088413.db2.gz DHFSZSIUPDQLFC-VJUNAUMWSA-N 1 0 330.388 2.861 10 5 EFBERO CC[NH+](CC)[C@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353589509 476104635 /nfs/dbraw/zinc/10/46/35/476104635.db2.gz HELWJNJVRAWIOJ-PBHICJAKSA-N 1 0 345.447 2.738 10 5 EFBERO Cn1cc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000338710619 476125400 /nfs/dbraw/zinc/12/54/00/476125400.db2.gz XNGVGSRYNGSGOI-UHFFFAOYSA-N 1 0 326.356 2.921 10 5 EFBERO COCC[C@H](COC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000353639772 476147207 /nfs/dbraw/zinc/14/72/07/476147207.db2.gz FKQNWSVAIWJIPH-UAGQMJEPSA-N 1 0 336.432 2.947 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)n2)c1 ZINC000362453263 476262490 /nfs/dbraw/zinc/26/24/90/476262490.db2.gz WWVNWVYNXRVRIW-ZFWWWQNUSA-N 1 0 344.371 2.646 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362455715 476264450 /nfs/dbraw/zinc/26/44/50/476264450.db2.gz SWRFIHNZZOXZSK-PBHICJAKSA-N 1 0 347.415 2.733 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000362518417 476294075 /nfs/dbraw/zinc/29/40/75/476294075.db2.gz GEMGTOASXDUBHA-AWEZNQCLSA-N 1 0 335.404 2.550 10 5 EFBERO CC(C)C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000362762483 476394436 /nfs/dbraw/zinc/39/44/36/476394436.db2.gz JOTYKFDLTAYILM-LBPRGKRZSA-N 1 0 343.374 2.508 10 5 EFBERO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1csc([N+](=O)[O-])c1 ZINC000354117924 476439590 /nfs/dbraw/zinc/43/95/90/476439590.db2.gz UECYFISGCVVJPE-ZIAGYGMSSA-N 1 0 325.434 2.878 10 5 EFBERO CSC1(CNc2ncc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000357577720 476467392 /nfs/dbraw/zinc/46/73/92/476467392.db2.gz GWIRXJDIHDEFSK-UHFFFAOYSA-N 1 0 330.841 2.883 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351633316 476486546 /nfs/dbraw/zinc/48/65/46/476486546.db2.gz XCJDZXNNWFUNLA-AWEZNQCLSA-N 1 0 339.823 2.781 10 5 EFBERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000363681616 476492666 /nfs/dbraw/zinc/49/26/66/476492666.db2.gz CONJGMSQFXSSED-HOTGVXAUSA-N 1 0 331.416 2.992 10 5 EFBERO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](c1ccccc1)[NH+](C)C ZINC000357689512 476539838 /nfs/dbraw/zinc/53/98/38/476539838.db2.gz WSFHLRGWJIBIFW-YVEFUNNKSA-N 1 0 339.399 2.996 10 5 EFBERO Cc1ccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000370043762 476645656 /nfs/dbraw/zinc/64/56/56/476645656.db2.gz VPYXKLNWGCBNLW-UHFFFAOYSA-N 1 0 341.415 2.794 10 5 EFBERO CC[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363312514 476647392 /nfs/dbraw/zinc/64/73/92/476647392.db2.gz LUOMKWDHGPEPTK-IRXDYDNUSA-N 1 0 346.431 2.926 10 5 EFBERO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000354447066 476668183 /nfs/dbraw/zinc/66/81/83/476668183.db2.gz GHLJVYQHDRQAEE-LLVKDONJSA-N 1 0 343.811 2.932 10 5 EFBERO CC(=O)c1cc(NCc2cccnc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000378024596 476673940 /nfs/dbraw/zinc/67/39/40/476673940.db2.gz ODRLDYARNMGAHE-UHFFFAOYSA-N 1 0 337.339 2.990 10 5 EFBERO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000456683890 476688653 /nfs/dbraw/zinc/68/86/53/476688653.db2.gz BLEDLGGFWODMEI-UHFFFAOYSA-N 1 0 336.436 2.896 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902678 476712867 /nfs/dbraw/zinc/71/28/67/476712867.db2.gz OQUONBZRLKFSOE-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451905844 476716088 /nfs/dbraw/zinc/71/60/88/476716088.db2.gz SLSQBQZLMYPDAO-RDTXWAMCSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375240011 476733195 /nfs/dbraw/zinc/73/31/95/476733195.db2.gz HFSNIROPFXUPCR-KGLIPLIRSA-N 1 0 347.415 2.813 10 5 EFBERO C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC000390650214 476795024 /nfs/dbraw/zinc/79/50/24/476795024.db2.gz VVEGJXDIICCDNR-CYBMUJFWSA-N 1 0 339.399 2.825 10 5 EFBERO COc1ccc(NC(=O)CC[N@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430290893 476805728 /nfs/dbraw/zinc/80/57/28/476805728.db2.gz SLYBCWZOXAMVBB-LBPRGKRZSA-N 1 0 333.388 2.830 10 5 EFBERO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452075728 476808491 /nfs/dbraw/zinc/80/84/91/476808491.db2.gz AYPSTOIBZCJRFS-HUUCEWRRSA-N 1 0 349.431 2.979 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000452098419 476822908 /nfs/dbraw/zinc/82/29/08/476822908.db2.gz TXLOFGMTZMVLNP-UHFFFAOYSA-N 1 0 348.447 2.696 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000366142438 476880537 /nfs/dbraw/zinc/88/05/37/476880537.db2.gz MGQCPNMIUNSMNQ-UHFFFAOYSA-N 1 0 346.431 2.718 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000370730651 476956600 /nfs/dbraw/zinc/95/66/00/476956600.db2.gz PSHKWWCQQBGWBO-SNVBAGLBSA-N 1 0 338.314 2.566 10 5 EFBERO CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423230533 476968455 /nfs/dbraw/zinc/96/84/55/476968455.db2.gz JHGLEGRGVLLJAK-QGZVFWFLSA-N 1 0 341.415 2.963 10 5 EFBERO Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000423233787 476970025 /nfs/dbraw/zinc/97/00/25/476970025.db2.gz OTPLLTJECXWPSF-AWEZNQCLSA-N 1 0 341.415 2.881 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375781494 477002232 /nfs/dbraw/zinc/00/22/32/477002232.db2.gz XRRCFPPKQWVSTF-MZMPZRCHSA-N 1 0 344.415 2.977 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452569355 477003224 /nfs/dbraw/zinc/00/32/24/477003224.db2.gz IZCHRJCRJFCEGT-ZDUSSCGKSA-N 1 0 347.415 2.550 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2ccccn2)n1 ZINC000447578928 477016251 /nfs/dbraw/zinc/01/62/51/477016251.db2.gz ICDJLMRQHSAPRH-HZPDHXFCSA-N 1 0 329.404 2.892 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431917673 477119890 /nfs/dbraw/zinc/11/98/90/477119890.db2.gz ZDTUTMBEPARYKM-UHFFFAOYSA-N 1 0 349.431 2.520 10 5 EFBERO O=C([C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000376004166 477126920 /nfs/dbraw/zinc/12/69/20/477126920.db2.gz QTKCHKXRSVSUIE-CVEARBPZSA-N 1 0 331.416 2.866 10 5 EFBERO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000411396383 477219377 /nfs/dbraw/zinc/21/93/77/477219377.db2.gz WZYLDDMJRBHOGD-UHFFFAOYSA-N 1 0 335.404 2.813 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423938453 477225126 /nfs/dbraw/zinc/22/51/26/477225126.db2.gz IERYRGIRWQVTCW-ABAIWWIYSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccccc1F ZINC000411482149 477251842 /nfs/dbraw/zinc/25/18/42/477251842.db2.gz RZPYWVHGHFIFSR-UHFFFAOYSA-N 1 0 344.346 2.516 10 5 EFBERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433060555 477307781 /nfs/dbraw/zinc/30/77/81/477307781.db2.gz YXWKYPDIRGGXFY-SEEARECTSA-N 1 0 329.400 2.652 10 5 EFBERO CN1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000424190836 477323851 /nfs/dbraw/zinc/32/38/51/477323851.db2.gz PCHNTUQBLJUFQH-CYBMUJFWSA-N 1 0 343.383 2.813 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376493137 477362896 /nfs/dbraw/zinc/36/28/96/477362896.db2.gz XWLOSVMTVDOERH-DZGCQCFKSA-N 1 0 347.415 2.692 10 5 EFBERO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000424319726 477370271 /nfs/dbraw/zinc/37/02/71/477370271.db2.gz HCJBAGGYGPXVBR-ZMSDIMECSA-N 1 0 345.443 2.764 10 5 EFBERO CN1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424330244 477371280 /nfs/dbraw/zinc/37/12/80/477371280.db2.gz RRCKPZBDYZXMTA-SUMWQHHRSA-N 1 0 331.416 2.820 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411842907 477390440 /nfs/dbraw/zinc/39/04/40/477390440.db2.gz HNBMAWJFUNNZBC-QGZVFWFLSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411846653 477392576 /nfs/dbraw/zinc/39/25/76/477392576.db2.gz LVZIRWFWANOLLU-QGZVFWFLSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225722 477402694 /nfs/dbraw/zinc/40/26/94/477402694.db2.gz RNDINHMFTJOHOY-IIYDPXPESA-N 1 0 338.379 2.892 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436384786 477473369 /nfs/dbraw/zinc/47/33/69/477473369.db2.gz GRCQROUVZBZIDB-JTQLQIEISA-N 1 0 332.326 2.929 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436422931 477478533 /nfs/dbraw/zinc/47/85/33/477478533.db2.gz PLTZVNUVTODMOP-HNNXBMFYSA-N 1 0 349.434 2.895 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449360423 477561875 /nfs/dbraw/zinc/56/18/75/477561875.db2.gz JCYPKNJFGPSGAE-CQSZACIVSA-N 1 0 346.408 2.564 10 5 EFBERO CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413193267 477563624 /nfs/dbraw/zinc/56/36/24/477563624.db2.gz HDHOPOZHWHZGCN-AWEZNQCLSA-N 1 0 330.363 2.840 10 5 EFBERO Cc1cncn1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372301456 477745533 /nfs/dbraw/zinc/74/55/33/477745533.db2.gz NFEAGUMIHZSQDL-UHFFFAOYSA-N 1 0 328.372 2.506 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000426914247 477759417 /nfs/dbraw/zinc/75/94/17/477759417.db2.gz OHBOCMSILYFTAE-BETUJISGSA-N 1 0 335.404 2.596 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)co1 ZINC000427882017 477783822 /nfs/dbraw/zinc/78/38/22/477783822.db2.gz LHTJDIJWVOLAIT-GFCCVEGCSA-N 1 0 349.412 2.947 10 5 EFBERO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000427985689 477799848 /nfs/dbraw/zinc/79/98/48/477799848.db2.gz SNACFLOWSUHUJK-MRXNPFEDSA-N 1 0 343.362 2.747 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186286 477903447 /nfs/dbraw/zinc/90/34/47/477903447.db2.gz ZMGMNNUZJBKUQR-HZMBPMFUSA-N 1 0 343.811 2.573 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451261934 477915474 /nfs/dbraw/zinc/91/54/74/477915474.db2.gz KEUKRXULGLSCPR-RTBURBONSA-N 1 0 344.386 2.937 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451261933 477916366 /nfs/dbraw/zinc/91/63/66/477916366.db2.gz KEUKRXULGLSCPR-RBUKOAKNSA-N 1 0 344.386 2.937 10 5 EFBERO Cc1c(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438990209 477917891 /nfs/dbraw/zinc/91/78/91/477917891.db2.gz XIXPNQJZGSBCOD-OKILXGFUSA-N 1 0 333.432 2.825 10 5 EFBERO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451377872 477983151 /nfs/dbraw/zinc/98/31/51/477983151.db2.gz XMDYWORMNALWRQ-BDFQZXNOSA-N 1 0 341.411 2.702 10 5 EFBERO CC(C)c1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000439533580 477998372 /nfs/dbraw/zinc/99/83/72/477998372.db2.gz CDTHKCUQKFTSTR-KRWDZBQOSA-N 1 0 331.416 2.884 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000516955972 478021553 /nfs/dbraw/zinc/02/15/53/478021553.db2.gz WSUMACZOKUUFGE-INIZCTEOSA-N 1 0 347.415 2.611 10 5 EFBERO Cn1cnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656644 478025414 /nfs/dbraw/zinc/02/54/14/478025414.db2.gz GZRRTVNAYQEFLW-PBHICJAKSA-N 1 0 328.416 2.872 10 5 EFBERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494702687 478050135 /nfs/dbraw/zinc/05/01/35/478050135.db2.gz LEWUEDZZHSXKLI-SMDDNHRTSA-N 1 0 349.412 2.615 10 5 EFBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495062347 478113952 /nfs/dbraw/zinc/11/39/52/478113952.db2.gz FFVWSJSZNNYCKS-CYBMUJFWSA-N 1 0 336.388 2.637 10 5 EFBERO CC(C)C[N@@H+]1CC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488084667 478116334 /nfs/dbraw/zinc/11/63/34/478116334.db2.gz RRCNDPJTNMHSCR-AWEZNQCLSA-N 1 0 328.416 2.955 10 5 EFBERO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451810564 478212306 /nfs/dbraw/zinc/21/23/06/478212306.db2.gz PMGOKZFRAFDZMW-TVQRCGJNSA-N 1 0 341.795 2.590 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000562299445 478229404 /nfs/dbraw/zinc/22/94/04/478229404.db2.gz ZRSUMHMNICGEAY-CQSZACIVSA-N 1 0 344.371 2.571 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579343125 478273157 /nfs/dbraw/zinc/27/31/57/478273157.db2.gz GZRUODOELBKHDU-SFHVURJKSA-N 1 0 331.416 2.736 10 5 EFBERO O=C(CC[NH2+]CCCc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000579344337 478273869 /nfs/dbraw/zinc/27/38/69/478273869.db2.gz YNBIYVMTDUZAMD-UHFFFAOYSA-N 1 0 328.372 2.541 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000594258474 478308216 /nfs/dbraw/zinc/30/82/16/478308216.db2.gz PKJSFTXOQHCAME-AKAXFMLLSA-N 1 0 346.431 2.609 10 5 EFBERO COC(=O)C(C)(C)CC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570204711 478308632 /nfs/dbraw/zinc/30/86/32/478308632.db2.gz UQGNWXRHZAZQLZ-UHFFFAOYSA-N 1 0 333.388 2.798 10 5 EFBERO CS(=O)(=O)CCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757624 478323142 /nfs/dbraw/zinc/32/31/42/478323142.db2.gz PNODRDVZCKABFK-HNNXBMFYSA-N 1 0 340.445 2.599 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000520610319 478330874 /nfs/dbraw/zinc/33/08/74/478330874.db2.gz UEMURCZWDRCGKY-OAHLLOKOSA-N 1 0 349.431 2.685 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1CC(F)(F)C1)OCCO2 ZINC000590781209 478336563 /nfs/dbraw/zinc/33/65/63/478336563.db2.gz HJOCKBMKCDGMEO-UHFFFAOYSA-N 1 0 328.315 2.891 10 5 EFBERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417181 478374262 /nfs/dbraw/zinc/37/42/62/478374262.db2.gz AXOZHQNFEIVFGW-DLBZAZTESA-N 1 0 342.399 2.823 10 5 EFBERO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472483 478382758 /nfs/dbraw/zinc/38/27/58/478382758.db2.gz ZNYSRDLASZDAAT-CXAGYDPISA-N 1 0 331.416 2.831 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470058 478382917 /nfs/dbraw/zinc/38/29/17/478382917.db2.gz DZPDNVJMNAZZJH-OAHLLOKOSA-N 1 0 349.456 2.820 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600471480 478383050 /nfs/dbraw/zinc/38/30/50/478383050.db2.gz KYXRECPHBKYPNQ-QGZVFWFLSA-N 1 0 331.416 2.661 10 5 EFBERO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474529 478384401 /nfs/dbraw/zinc/38/44/01/478384401.db2.gz XWRQZZPLFLCOKX-SWLSCSKDSA-N 1 0 349.406 2.971 10 5 EFBERO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000590928051 478401664 /nfs/dbraw/zinc/40/16/64/478401664.db2.gz OZRKNBQAZPHNFC-HOCLYGCPSA-N 1 0 334.420 2.782 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000562985072 478402332 /nfs/dbraw/zinc/40/23/32/478402332.db2.gz GTMNHNUOBRANEN-OAGGEKHMSA-N 1 0 346.358 2.619 10 5 EFBERO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594514624 478422075 /nfs/dbraw/zinc/42/20/75/478422075.db2.gz JWOVSPVVNKTPDY-LBPRGKRZSA-N 1 0 326.393 2.850 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000594571834 478444394 /nfs/dbraw/zinc/44/43/94/478444394.db2.gz ACEMHYLGFNZFME-UKRRQHHQSA-N 1 0 337.445 2.619 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000600678199 478465494 /nfs/dbraw/zinc/46/54/94/478465494.db2.gz GAHWDNPTSTZILQ-CYBMUJFWSA-N 1 0 327.331 2.570 10 5 EFBERO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000581927916 478468449 /nfs/dbraw/zinc/46/84/49/478468449.db2.gz IYCSHIFHPIXURM-MRXNPFEDSA-N 1 0 326.356 2.791 10 5 EFBERO COC(=O)c1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c(C)o1 ZINC000594616580 478472665 /nfs/dbraw/zinc/47/26/65/478472665.db2.gz SXTMINPPHQWPHN-UHFFFAOYSA-N 1 0 334.328 2.581 10 5 EFBERO [NH3+]Cc1cccc2c1N(CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000600724241 478489003 /nfs/dbraw/zinc/48/90/03/478489003.db2.gz YFSFQGPOENXGTF-UHFFFAOYSA-N 1 0 327.384 2.885 10 5 EFBERO COc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000600739819 478499336 /nfs/dbraw/zinc/49/93/36/478499336.db2.gz ULRNXXYBFLXYCX-FZMZJTMJSA-N 1 0 347.337 2.705 10 5 EFBERO O=[N+]([O-])c1ccc(OC[C@@H]2C[NH2+]CCO2)c(Cc2ccccc2)c1 ZINC000594698567 478501151 /nfs/dbraw/zinc/50/11/51/478501151.db2.gz MKVKBMQLXHOSFA-KRWDZBQOSA-N 1 0 328.368 2.553 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccsc1 ZINC000600756672 478506152 /nfs/dbraw/zinc/50/61/52/478506152.db2.gz NOAKWMVKNHHMMH-HZSPNIEDSA-N 1 0 334.397 2.542 10 5 EFBERO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000540911738 478508198 /nfs/dbraw/zinc/50/81/98/478508198.db2.gz HILRSWRUJCCBJM-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000600763102 478509936 /nfs/dbraw/zinc/50/99/36/478509936.db2.gz ZYNOOXLNSDCPFW-CYBMUJFWSA-N 1 0 338.429 2.538 10 5 EFBERO O=C(Nc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000600790883 478523890 /nfs/dbraw/zinc/52/38/90/478523890.db2.gz WGPMVGWKIDLVEP-UHFFFAOYSA-N 1 0 344.346 2.734 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000591354706 478534222 /nfs/dbraw/zinc/53/42/22/478534222.db2.gz PXVNDTJAKBABRB-BMFZPTHFSA-N 1 0 346.431 2.605 10 5 EFBERO Cc1nn(C)c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571199652 478541684 /nfs/dbraw/zinc/54/16/84/478541684.db2.gz FLSSJMPFLYYBKZ-UHFFFAOYSA-N 1 0 327.388 2.759 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597858849 478544381 /nfs/dbraw/zinc/54/43/81/478544381.db2.gz POLUEHBKRZHTHW-LBPRGKRZSA-N 1 0 330.388 2.679 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597859639 478546442 /nfs/dbraw/zinc/54/64/42/478546442.db2.gz WUKSCFSDOURBQQ-OAHLLOKOSA-N 1 0 333.432 2.861 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597859647 478546741 /nfs/dbraw/zinc/54/67/41/478546741.db2.gz WXYWPOYVSAAOQJ-GFCCVEGCSA-N 1 0 342.399 2.746 10 5 EFBERO O=C(NCCC[NH+]1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600962475 478587607 /nfs/dbraw/zinc/58/76/07/478587607.db2.gz DMOGGQMVAJCZIZ-UHFFFAOYSA-N 1 0 331.416 2.619 10 5 EFBERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594954366 478603045 /nfs/dbraw/zinc/60/30/45/478603045.db2.gz ZAMKZRMAHHOMTR-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000594952712 478603418 /nfs/dbraw/zinc/60/34/18/478603418.db2.gz REIUBEHMNJRHMG-FZKQIMNGSA-N 1 0 346.383 2.996 10 5 EFBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600999476 478606683 /nfs/dbraw/zinc/60/66/83/478606683.db2.gz CIJJEYKVYPKDSP-NVXWUHKLSA-N 1 0 343.427 2.760 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601006408 478611871 /nfs/dbraw/zinc/61/18/71/478611871.db2.gz WOMSCTQJWDRIPW-AWEZNQCLSA-N 1 0 343.427 2.617 10 5 EFBERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594978581 478615874 /nfs/dbraw/zinc/61/58/74/478615874.db2.gz FRLBEGQVDNJSOC-HZPDHXFCSA-N 1 0 344.415 2.838 10 5 EFBERO Cc1cncc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000594988253 478619058 /nfs/dbraw/zinc/61/90/58/478619058.db2.gz OHXLWRVLBLCKMX-UHFFFAOYSA-N 1 0 338.314 2.627 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000594988291 478619181 /nfs/dbraw/zinc/61/91/81/478619181.db2.gz PABNZZJUQKQBCN-OLZOCXBDSA-N 1 0 328.315 2.589 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000594988292 478619232 /nfs/dbraw/zinc/61/92/32/478619232.db2.gz PABNZZJUQKQBCN-QWHCGFSZSA-N 1 0 328.315 2.589 10 5 EFBERO COc1cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000594992140 478620466 /nfs/dbraw/zinc/62/04/66/478620466.db2.gz PLYXUYVRVMBTTD-CYBMUJFWSA-N 1 0 330.331 2.993 10 5 EFBERO CCCN(CC[NH+](C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601039717 478626392 /nfs/dbraw/zinc/62/63/92/478626392.db2.gz PQTCKRQIBWZROF-UHFFFAOYSA-N 1 0 333.432 2.817 10 5 EFBERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595017342 478629722 /nfs/dbraw/zinc/62/97/22/478629722.db2.gz UBXQKUYCMSSMQH-OAHLLOKOSA-N 1 0 338.404 2.525 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000571580887 478630793 /nfs/dbraw/zinc/63/07/93/478630793.db2.gz CLXDWOUBELFHKL-KRWDZBQOSA-N 1 0 333.432 2.590 10 5 EFBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048360 478640392 /nfs/dbraw/zinc/64/03/92/478640392.db2.gz KMIIGWUDQQTGLJ-QLFBSQMISA-N 1 0 335.452 2.737 10 5 EFBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048358 478640518 /nfs/dbraw/zinc/64/05/18/478640518.db2.gz KMIIGWUDQQTGLJ-KFWWJZLASA-N 1 0 335.452 2.737 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058955 478645351 /nfs/dbraw/zinc/64/53/51/478645351.db2.gz CZHSJIDLNPSCKP-DXCKQFNASA-N 1 0 338.404 2.696 10 5 EFBERO COC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000595064777 478648174 /nfs/dbraw/zinc/64/81/74/478648174.db2.gz GFAYQPXVFNFQBB-YOEHRIQHSA-N 1 0 336.432 2.947 10 5 EFBERO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000591860473 478651712 /nfs/dbraw/zinc/65/17/12/478651712.db2.gz XTCUBOMIAVNYKJ-OAHLLOKOSA-N 1 0 340.383 2.513 10 5 EFBERO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595075489 478652045 /nfs/dbraw/zinc/65/20/45/478652045.db2.gz XLLITEGZOCLBMY-LRDDRELGSA-N 1 0 325.368 2.833 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000601101608 478657541 /nfs/dbraw/zinc/65/75/41/478657541.db2.gz TZRPJHAODAVHJC-UHFFFAOYSA-N 1 0 330.363 2.841 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000601104034 478658936 /nfs/dbraw/zinc/65/89/36/478658936.db2.gz NQLPEJNOMDXEAE-UHFFFAOYSA-N 1 0 335.330 2.633 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000595102122 478660361 /nfs/dbraw/zinc/66/03/61/478660361.db2.gz JWUZOSHGPZQXDQ-GFCCVEGCSA-N 1 0 326.418 2.521 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595102108 478660413 /nfs/dbraw/zinc/66/04/13/478660413.db2.gz JRAAYNWXQACOCR-OAHLLOKOSA-N 1 0 338.429 2.529 10 5 EFBERO CC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102102 478660926 /nfs/dbraw/zinc/66/09/26/478660926.db2.gz JPMLYKNAKUEKEN-CQSZACIVSA-N 1 0 326.418 2.603 10 5 EFBERO NC(=O)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595100524 478661172 /nfs/dbraw/zinc/66/11/72/478661172.db2.gz UXCAFXDOFXDKQM-OAHLLOKOSA-N 1 0 331.416 2.998 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595104908 478661813 /nfs/dbraw/zinc/66/18/13/478661813.db2.gz AATVBOANKMTPRG-GOEBONIOSA-N 1 0 344.415 2.822 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595104907 478662921 /nfs/dbraw/zinc/66/29/21/478662921.db2.gz AATVBOANKMTPRG-GDBMZVCRSA-N 1 0 344.415 2.822 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601118036 478667621 /nfs/dbraw/zinc/66/76/21/478667621.db2.gz DHNBDSOBFRKREP-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120711 478668313 /nfs/dbraw/zinc/66/83/13/478668313.db2.gz MXADGRKPOWPSTH-HNNXBMFYSA-N 1 0 330.363 2.840 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894658 478680771 /nfs/dbraw/zinc/68/07/71/478680771.db2.gz VYERRGQZKBGCPE-GOEBONIOSA-N 1 0 331.416 2.816 10 5 EFBERO Cc1ccc(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000601150066 478689169 /nfs/dbraw/zinc/68/91/69/478689169.db2.gz TZVDYZNOYNXDDI-UHFFFAOYSA-N 1 0 329.404 2.979 10 5 EFBERO COCc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148819 478689552 /nfs/dbraw/zinc/68/95/52/478689552.db2.gz GSYSGTBEZGQSBZ-SFHVURJKSA-N 1 0 330.384 2.739 10 5 EFBERO C[C@](CO)([NH2+]CC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000601149348 478689854 /nfs/dbraw/zinc/68/98/54/478689854.db2.gz LSZTXSFSGSJZHS-LJQANCHMSA-N 1 0 340.379 2.868 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000595220842 478691583 /nfs/dbraw/zinc/69/15/83/478691583.db2.gz KUQGHOCONFXLCZ-ZIAGYGMSSA-N 1 0 331.397 2.613 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595220899 478691689 /nfs/dbraw/zinc/69/16/89/478691689.db2.gz LUDCJWVSELVPJU-HZPDHXFCSA-N 1 0 339.395 2.860 10 5 EFBERO CNc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224416 478692569 /nfs/dbraw/zinc/69/25/69/478692569.db2.gz GENGDRMXLJWWPT-ZBFHGGJFSA-N 1 0 346.431 2.631 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225213 478692869 /nfs/dbraw/zinc/69/28/69/478692869.db2.gz KFFZXZXFVMYOTR-RHSMWYFYSA-N 1 0 331.416 2.898 10 5 EFBERO Cc1c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225212 478693426 /nfs/dbraw/zinc/69/34/26/478693426.db2.gz KFFZXZXFVMYOTR-PBHICJAKSA-N 1 0 331.416 2.898 10 5 EFBERO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601153562 478693431 /nfs/dbraw/zinc/69/34/31/478693431.db2.gz QFZFMIAYEWPCFS-SFHVURJKSA-N 1 0 348.374 2.826 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000564156513 478698823 /nfs/dbraw/zinc/69/88/23/478698823.db2.gz WWLVPAKABJYGOV-LSDHHAIUSA-N 1 0 333.432 2.841 10 5 EFBERO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000595251006 478701894 /nfs/dbraw/zinc/70/18/94/478701894.db2.gz VMSGQNRYWZZXNV-INIZCTEOSA-N 1 0 339.395 2.903 10 5 EFBERO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000595270403 478709123 /nfs/dbraw/zinc/70/91/23/478709123.db2.gz UZAOUYFUHKDWFW-IAGOWNOFSA-N 1 0 339.395 2.779 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000601191676 478716230 /nfs/dbraw/zinc/71/62/30/478716230.db2.gz PKHCICDLLSILMT-MRVPVSSYSA-N 1 0 335.330 2.632 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601191170 478716418 /nfs/dbraw/zinc/71/64/18/478716418.db2.gz JGVAGAPWLMYPBW-SECBINFHSA-N 1 0 349.357 2.879 10 5 EFBERO CCC1([NH+](C)C)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000601229398 478736044 /nfs/dbraw/zinc/73/60/44/478736044.db2.gz OGYIMOYGQQIQKS-UHFFFAOYSA-N 1 0 345.403 2.554 10 5 EFBERO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000601231715 478737654 /nfs/dbraw/zinc/73/76/54/478737654.db2.gz IVUKFWFOOKGFEL-MRXNPFEDSA-N 1 0 331.416 2.569 10 5 EFBERO CCC1([NH+](C)C)CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000601229750 478738258 /nfs/dbraw/zinc/73/82/58/478738258.db2.gz ZPNUHDRYZJFCCJ-UHFFFAOYSA-N 1 0 335.404 2.692 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@H](C)C1 ZINC000564469344 478747452 /nfs/dbraw/zinc/74/74/52/478747452.db2.gz CZEAGSGRXMZDQF-ZIAGYGMSSA-N 1 0 336.436 2.944 10 5 EFBERO CO[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373188 478752948 /nfs/dbraw/zinc/75/29/48/478752948.db2.gz XZTXWEHBQDDSKE-GDBMZVCRSA-N 1 0 334.420 2.681 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000543578600 478753566 /nfs/dbraw/zinc/75/35/66/478753566.db2.gz PHVMSTLYHYZOOR-NSHDSACASA-N 1 0 325.796 2.710 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CN(c3ccncn3)C1)CCCC2 ZINC000601303944 478775665 /nfs/dbraw/zinc/77/56/65/478775665.db2.gz LLSIRAPXKHOPFA-KRWDZBQOSA-N 1 0 339.399 2.631 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CO)c(F)c2)n1 ZINC000564705553 478790019 /nfs/dbraw/zinc/79/00/19/478790019.db2.gz GNJRTJFOKXUVTL-JKSUJKDBSA-N 1 0 348.378 2.696 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cn[nH]c1)[C@H]1CC[C@H](O)CC1 ZINC000592132212 478790924 /nfs/dbraw/zinc/79/09/24/478790924.db2.gz BWCHRISTMIBWSB-QAQDUYKDSA-N 1 0 344.415 2.666 10 5 EFBERO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000592158790 478805874 /nfs/dbraw/zinc/80/58/74/478805874.db2.gz TVOQMYZCJHBZMW-UHFFFAOYSA-N 1 0 346.265 2.769 10 5 EFBERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000601382900 478812660 /nfs/dbraw/zinc/81/26/60/478812660.db2.gz IUQOBQRWJNJZGT-WMLDXEAASA-N 1 0 343.358 2.909 10 5 EFBERO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178363 478813176 /nfs/dbraw/zinc/81/31/76/478813176.db2.gz BYGKZPMDPWOTPB-KRWDZBQOSA-N 1 0 334.416 2.917 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184736 478817827 /nfs/dbraw/zinc/81/78/27/478817827.db2.gz OGMCCNWZYGTCIW-OAHLLOKOSA-N 1 0 333.432 2.761 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598465053 478836592 /nfs/dbraw/zinc/83/65/92/478836592.db2.gz BQIPXADHSKSTKL-UHFFFAOYSA-N 1 0 339.461 2.924 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255131 478842309 /nfs/dbraw/zinc/84/23/09/478842309.db2.gz MJEBLZSNJFIEHG-LSDHHAIUSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1noc(CN2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595562381 478857608 /nfs/dbraw/zinc/85/76/08/478857608.db2.gz JOQXKJSNKWXBMF-ZYHUDNBSSA-N 1 0 339.392 2.691 10 5 EFBERO Cc1noc(CN(C)Cc2ccc3c(c2)OC(F)(F)O3)c1[N+](=O)[O-] ZINC000595564231 478858006 /nfs/dbraw/zinc/85/80/06/478858006.db2.gz YQEJOZQVWGXPAG-UHFFFAOYSA-N 1 0 341.270 2.845 10 5 EFBERO C[N@H+](CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)Cc1ccccc1 ZINC000564959313 478870255 /nfs/dbraw/zinc/87/02/55/478870255.db2.gz TXFFQQSLYWYKAV-UHFFFAOYSA-N 1 0 341.411 2.767 10 5 EFBERO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCOC1 ZINC000592374401 478872421 /nfs/dbraw/zinc/87/24/21/478872421.db2.gz FBNAEXVWAXGRLV-OAHLLOKOSA-N 1 0 328.796 2.515 10 5 EFBERO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592375640 478873598 /nfs/dbraw/zinc/87/35/98/478873598.db2.gz XYEOENFPSMYRMB-SFHVURJKSA-N 1 0 336.432 2.985 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601554924 478877333 /nfs/dbraw/zinc/87/73/33/478877333.db2.gz BHWAQQLMVMWSHM-HEHGZKQESA-N 1 0 349.456 2.676 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601559724 478878516 /nfs/dbraw/zinc/87/85/16/478878516.db2.gz VVRGGGRBFYCEEJ-FZMZJTMJSA-N 1 0 335.429 2.531 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601559338 478878776 /nfs/dbraw/zinc/87/87/76/478878776.db2.gz DRKSDTPILZDCHM-UHFFFAOYSA-N 1 0 334.420 2.611 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ncn(C)n1 ZINC000592394675 478881397 /nfs/dbraw/zinc/88/13/97/478881397.db2.gz QQGOIZKBBMXKCM-ZDUSSCGKSA-N 1 0 349.460 2.816 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000598531070 478881506 /nfs/dbraw/zinc/88/15/06/478881506.db2.gz FQOCOQMNHMKXBX-BMFZPTHFSA-N 1 0 333.432 2.762 10 5 EFBERO Cn1cnc(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000592393667 478882475 /nfs/dbraw/zinc/88/24/75/478882475.db2.gz IVTRMHFQQMETCV-HOCLYGCPSA-N 1 0 343.431 2.657 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601568418 478884576 /nfs/dbraw/zinc/88/45/76/478884576.db2.gz ZQNXMRSWTUXNFA-UHFFFAOYSA-N 1 0 334.420 2.611 10 5 EFBERO Cc1c(NC(=O)NCc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601569368 478884615 /nfs/dbraw/zinc/88/46/15/478884615.db2.gz XUPZUXCZQRGPPR-UHFFFAOYSA-N 1 0 340.383 2.871 10 5 EFBERO CCOc1cc(C[NH2+][C@@H](COC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000595615850 478889937 /nfs/dbraw/zinc/88/99/37/478889937.db2.gz NTWJOVVTFCASDM-HNNXBMFYSA-N 1 0 338.404 2.525 10 5 EFBERO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425438 478890581 /nfs/dbraw/zinc/89/05/81/478890581.db2.gz COKDTSYRGSVRDA-HIFRSBDPSA-N 1 0 349.431 2.576 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000595617993 478892713 /nfs/dbraw/zinc/89/27/13/478892713.db2.gz VUXLCQYQVSKYQL-LBPRGKRZSA-N 1 0 329.194 2.608 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595624799 478897442 /nfs/dbraw/zinc/89/74/42/478897442.db2.gz GNTWXJHXOYKBAS-GOSISDBHSA-N 1 0 347.415 2.733 10 5 EFBERO COC(=O)c1ccnc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598599882 478919895 /nfs/dbraw/zinc/91/98/95/478919895.db2.gz AISWEGVWANPBEU-UHFFFAOYSA-N 1 0 348.403 2.595 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595661476 478920853 /nfs/dbraw/zinc/92/08/53/478920853.db2.gz CCFLKSOEAMBIMZ-INIZCTEOSA-N 1 0 348.447 2.652 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000592520323 478928373 /nfs/dbraw/zinc/92/83/73/478928373.db2.gz LAQXDQYYORCJRZ-OAHLLOKOSA-N 1 0 341.367 2.766 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680036 478931309 /nfs/dbraw/zinc/93/13/09/478931309.db2.gz GNQYBESNXMTFRC-AWEZNQCLSA-N 1 0 347.415 2.875 10 5 EFBERO Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000592566990 478943106 /nfs/dbraw/zinc/94/31/06/478943106.db2.gz INYIJTAWHJDVTD-KRWDZBQOSA-N 1 0 325.368 2.602 10 5 EFBERO C[N@@H+]1CCCC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601685367 478951819 /nfs/dbraw/zinc/95/18/19/478951819.db2.gz ZFOZROCONJGOCF-HNNXBMFYSA-N 1 0 345.443 2.865 10 5 EFBERO CC1=CCN(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865955 478962760 /nfs/dbraw/zinc/96/27/60/478962760.db2.gz PNBVWDJBTCMWLL-OAHLLOKOSA-N 1 0 346.431 2.554 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281341 478966916 /nfs/dbraw/zinc/96/69/16/478966916.db2.gz MQXWGUAWTWYVQD-CHWSQXEVSA-N 1 0 344.415 2.608 10 5 EFBERO CC(C)[C@H]1C[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000572993131 478968757 /nfs/dbraw/zinc/96/87/57/478968757.db2.gz OQPKUBAHGMSVMJ-RHSMWYFYSA-N 1 0 349.431 2.964 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510958556 478973951 /nfs/dbraw/zinc/97/39/51/478973951.db2.gz LYGYYWYPWDQYOA-XJKSGUPXSA-N 1 0 349.431 2.843 10 5 EFBERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601736941 478976911 /nfs/dbraw/zinc/97/69/11/478976911.db2.gz AQVAYUVPFRKEGG-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601739897 478979516 /nfs/dbraw/zinc/97/95/16/478979516.db2.gz RTNOXOUTWICFMO-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601742421 478980884 /nfs/dbraw/zinc/98/08/84/478980884.db2.gz BTNAYFKTPNXQPI-UHFFFAOYSA-N 1 0 349.406 2.753 10 5 EFBERO C[C@]12COC[C@H]1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595760259 478981769 /nfs/dbraw/zinc/98/17/69/478981769.db2.gz SLMZKXGURFZTBE-DYVFJYSZSA-N 1 0 329.356 2.718 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000583995166 478990079 /nfs/dbraw/zinc/99/00/79/478990079.db2.gz PCHZYYOENRYVBS-DKGMDFAASA-N 1 0 339.399 2.975 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000583995169 478990862 /nfs/dbraw/zinc/99/08/62/478990862.db2.gz PCHZYYOENRYVBS-SCOADAFUSA-N 1 0 339.399 2.975 10 5 EFBERO Cc1cccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000601779826 479000226 /nfs/dbraw/zinc/00/02/26/479000226.db2.gz YLZLDTYIVGGSPS-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000601790838 479006281 /nfs/dbraw/zinc/00/62/81/479006281.db2.gz DDDBTIQCKLSWCM-UHFFFAOYSA-N 1 0 334.420 2.583 10 5 EFBERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808788 479010293 /nfs/dbraw/zinc/01/02/93/479010293.db2.gz WJZZZSVZTLEKIN-ZBFHGGJFSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595813756 479012623 /nfs/dbraw/zinc/01/26/23/479012623.db2.gz BJSWDGXYHBFBQF-CQSZACIVSA-N 1 0 347.415 2.957 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818367 479014656 /nfs/dbraw/zinc/01/46/56/479014656.db2.gz HRWADFYUUKSOAW-XSCHDIRWSA-N 1 0 340.395 2.841 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)co2)cc1 ZINC000595826589 479018818 /nfs/dbraw/zinc/01/88/18/479018818.db2.gz AUNOEIHQSRNRLC-KGLIPLIRSA-N 1 0 329.356 2.718 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595873146 479042327 /nfs/dbraw/zinc/04/23/27/479042327.db2.gz LUMFSTRKHHUQCL-UHFFFAOYSA-N 1 0 347.419 2.855 10 5 EFBERO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595872654 479042437 /nfs/dbraw/zinc/04/24/37/479042437.db2.gz DRUHVHYBRKYTTJ-UHFFFAOYSA-N 1 0 336.436 2.633 10 5 EFBERO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000573402754 479058160 /nfs/dbraw/zinc/05/81/60/479058160.db2.gz OOGQJDFUXZTWRQ-GXTWGEPZSA-N 1 0 328.416 2.833 10 5 EFBERO COc1ccc(CN2c3ccccc3CC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595903215 479061923 /nfs/dbraw/zinc/06/19/23/479061923.db2.gz LWEKGJGPCPYHFK-OAHLLOKOSA-N 1 0 327.384 2.884 10 5 EFBERO COc1ccc(CN2C[C@@H]([NH3+])CCc3ccccc32)cc1[N+](=O)[O-] ZINC000595903711 479062082 /nfs/dbraw/zinc/06/20/82/479062082.db2.gz BJUQTSXRGUIZNQ-HNNXBMFYSA-N 1 0 327.384 2.884 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000595924637 479076453 /nfs/dbraw/zinc/07/64/53/479076453.db2.gz OINZTUFVGXCKMJ-UHFFFAOYSA-N 1 0 330.344 2.611 10 5 EFBERO Cc1c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595936123 479078474 /nfs/dbraw/zinc/07/84/74/479078474.db2.gz XIJRINPDCABJHF-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595936078 479078917 /nfs/dbraw/zinc/07/89/17/479078917.db2.gz WZOCEACPMGPTKE-INIZCTEOSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935382 479079512 /nfs/dbraw/zinc/07/95/12/479079512.db2.gz SAJZANRRERGFSB-ZDUSSCGKSA-N 1 0 335.379 2.586 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595951766 479081723 /nfs/dbraw/zinc/08/17/23/479081723.db2.gz QWTBXRHPPDKJJO-BXUZGUMPSA-N 1 0 325.434 2.565 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595951083 479081788 /nfs/dbraw/zinc/08/17/88/479081788.db2.gz WXLXAODIHDDGDD-CYBMUJFWSA-N 1 0 325.434 2.810 10 5 EFBERO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C[NH3+] ZINC000598912973 479083179 /nfs/dbraw/zinc/08/31/79/479083179.db2.gz DFTOWYYQZCRJGQ-YMTOWFKASA-N 1 0 326.784 2.697 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601974362 479104409 /nfs/dbraw/zinc/10/44/09/479104409.db2.gz JSSRYPOZDPJLLM-NSHDSACASA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000601978581 479106928 /nfs/dbraw/zinc/10/69/28/479106928.db2.gz YXZVJJAJNJVRJR-SNVBAGLBSA-N 1 0 325.796 2.756 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000598990000 479116096 /nfs/dbraw/zinc/11/60/96/479116096.db2.gz YLRMVBZWYPQBRA-ZDUSSCGKSA-N 1 0 328.294 2.993 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCCO3)s2)cc1 ZINC000598990161 479116161 /nfs/dbraw/zinc/11/61/61/479116161.db2.gz IHJLRDZKEYCEFB-HZPDHXFCSA-N 1 0 348.424 2.953 10 5 EFBERO Nc1ccc(NCc2ccccc2C[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000596067069 479118845 /nfs/dbraw/zinc/11/88/45/479118845.db2.gz KAGZXJMEUBDAHL-UHFFFAOYSA-N 1 0 341.415 2.592 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc3c2CC[NH2+]C3)c1 ZINC000596071120 479120797 /nfs/dbraw/zinc/12/07/97/479120797.db2.gz WLANFDBVXJTFRI-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000598999450 479120761 /nfs/dbraw/zinc/12/07/61/479120761.db2.gz NCGBKGFXQPQEOH-KRWDZBQOSA-N 1 0 325.368 2.820 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548048162 479122351 /nfs/dbraw/zinc/12/23/51/479122351.db2.gz XXWSPWQLGCAPNG-UHFFFAOYSA-N 1 0 337.423 2.705 10 5 EFBERO Cn1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006367 479122887 /nfs/dbraw/zinc/12/28/87/479122887.db2.gz HJEHGRUMBGXXJE-WBVHZDCISA-N 1 0 342.399 2.652 10 5 EFBERO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000599008325 479124808 /nfs/dbraw/zinc/12/48/08/479124808.db2.gz RXPPVUPCQMHUIC-UHFFFAOYSA-N 1 0 339.823 2.986 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599008642 479124887 /nfs/dbraw/zinc/12/48/87/479124887.db2.gz ZVQMOINQIARFPJ-FZMZJTMJSA-N 1 0 328.315 2.853 10 5 EFBERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593014358 479125242 /nfs/dbraw/zinc/12/52/42/479125242.db2.gz JBWXRNWLESBRBF-HOTGVXAUSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599018038 479127565 /nfs/dbraw/zinc/12/75/65/479127565.db2.gz SSHRVZVLIKRPOS-AWEZNQCLSA-N 1 0 348.399 2.817 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092390 479133177 /nfs/dbraw/zinc/13/31/77/479133177.db2.gz VASIEVCMCGWTPG-VIFPVBQESA-N 1 0 339.779 2.683 10 5 EFBERO C[N@@H+]1CCCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599034501 479133537 /nfs/dbraw/zinc/13/35/37/479133537.db2.gz DWWZVTGPUGXZAD-UHFFFAOYSA-N 1 0 343.431 2.583 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000593035101 479135869 /nfs/dbraw/zinc/13/58/69/479135869.db2.gz XFUDHZWJMTVVCL-APPDUMDISA-N 1 0 336.388 2.675 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCOC1 ZINC000599055313 479140997 /nfs/dbraw/zinc/14/09/97/479140997.db2.gz DLSIZDGHNRSIEH-ZIAGYGMSSA-N 1 0 335.404 2.718 10 5 EFBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H](Cn2ccnn2)C1 ZINC000599056940 479141047 /nfs/dbraw/zinc/14/10/47/479141047.db2.gz AHTCFSCKRXINCS-ZDUSSCGKSA-N 1 0 338.371 2.651 10 5 EFBERO CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599059316 479143137 /nfs/dbraw/zinc/14/31/37/479143137.db2.gz MVWVQEOMRKIXIF-CABCVRRESA-N 1 0 332.429 2.625 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593050224 479143390 /nfs/dbraw/zinc/14/33/90/479143390.db2.gz DJENKDYVCIRCKL-BLLLJJGKSA-N 1 0 337.420 2.619 10 5 EFBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599067209 479145797 /nfs/dbraw/zinc/14/57/97/479145797.db2.gz YENYQJFAXCEUGZ-BPLDGKMQSA-N 1 0 340.445 2.595 10 5 EFBERO CCc1ccc([C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599071033 479149844 /nfs/dbraw/zinc/14/98/44/479149844.db2.gz PYPWVYUSCSSPAK-DCGLDWPTSA-N 1 0 343.383 2.693 10 5 EFBERO CC(=O)NCC[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086038 479154628 /nfs/dbraw/zinc/15/46/28/479154628.db2.gz XSYDRESFXAOPRD-CQSZACIVSA-N 1 0 342.399 2.886 10 5 EFBERO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599088905 479156031 /nfs/dbraw/zinc/15/60/31/479156031.db2.gz QYIRWTHJBKLSMC-HNNXBMFYSA-N 1 0 331.416 2.820 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCOC1 ZINC000593068771 479156239 /nfs/dbraw/zinc/15/62/39/479156239.db2.gz OXDFDMXOLBGZOG-HNNXBMFYSA-N 1 0 335.404 2.733 10 5 EFBERO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599088906 479157064 /nfs/dbraw/zinc/15/70/64/479157064.db2.gz QYIRWTHJBKLSMC-OAHLLOKOSA-N 1 0 331.416 2.820 10 5 EFBERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000599090746 479157684 /nfs/dbraw/zinc/15/76/84/479157684.db2.gz CHROUPLEZNFPCI-PEYYIBSZSA-N 1 0 346.387 2.727 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000599094326 479159922 /nfs/dbraw/zinc/15/99/22/479159922.db2.gz UEHDKAPUBRHLLN-CJNGLKHVSA-N 1 0 331.416 2.659 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146821 479163630 /nfs/dbraw/zinc/16/36/30/479163630.db2.gz QGJPAEBHWFQGSH-UWVGGRQHSA-N 1 0 341.795 2.929 10 5 EFBERO COc1ccc(CN2CC[C@H]2CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000599139432 479177362 /nfs/dbraw/zinc/17/73/62/479177362.db2.gz MKWNRXIQQBIZLI-HNNXBMFYSA-N 1 0 342.399 2.993 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CCO)CCOCC3)o2)c1 ZINC000610771626 479183338 /nfs/dbraw/zinc/18/33/38/479183338.db2.gz HUCDMENWGBDYLJ-UHFFFAOYSA-N 1 0 346.383 2.876 10 5 EFBERO O=C(CC[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593116292 479183426 /nfs/dbraw/zinc/18/34/26/479183426.db2.gz HFYQZBXFACGHTG-AWEZNQCLSA-N 1 0 325.315 2.655 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118779 479187494 /nfs/dbraw/zinc/18/74/94/479187494.db2.gz RYCDUPLQWKTICV-HNNXBMFYSA-N 1 0 339.342 2.963 10 5 EFBERO CC1([NH+]2CCOCC2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599160639 479188127 /nfs/dbraw/zinc/18/81/27/479188127.db2.gz PQFCPYGJKRASTE-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO O=c1[nH]cnc2cc(NC[C@H]3CC[N@@H+]3C3CCCC3)c([N+](=O)[O-])cc21 ZINC000599165727 479190927 /nfs/dbraw/zinc/19/09/27/479190927.db2.gz RMVYFQHEQSMNBG-GFCCVEGCSA-N 1 0 343.387 2.672 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1(C)C ZINC000602174797 479218134 /nfs/dbraw/zinc/21/81/34/479218134.db2.gz URTZJPSPVCLPBU-KBPBESRZSA-N 1 0 330.388 2.535 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000593182298 479225862 /nfs/dbraw/zinc/22/58/62/479225862.db2.gz GOMPEMOQPXSWHT-UHFFFAOYSA-N 1 0 338.408 2.703 10 5 EFBERO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593188852 479230151 /nfs/dbraw/zinc/23/01/51/479230151.db2.gz CYXYWDNJDXPAAN-YNEHKIRRSA-N 1 0 344.415 2.558 10 5 EFBERO COC(=O)c1c(Cl)c(NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596261013 479230192 /nfs/dbraw/zinc/23/01/92/479230192.db2.gz OHDINKYTLNISFX-UHFFFAOYSA-N 1 0 329.784 2.787 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593205632 479239452 /nfs/dbraw/zinc/23/94/52/479239452.db2.gz KFGLAZVIGWCABN-UHFFFAOYSA-N 1 0 343.374 2.510 10 5 EFBERO CCOc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593212274 479242518 /nfs/dbraw/zinc/24/25/18/479242518.db2.gz VVMTZYLJPJUVBP-UHFFFAOYSA-N 1 0 337.420 2.701 10 5 EFBERO Cc1ccnc(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596314661 479250934 /nfs/dbraw/zinc/25/09/34/479250934.db2.gz KWKJEDWKRFXENM-UHFFFAOYSA-N 1 0 334.420 2.601 10 5 EFBERO O=[N+]([O-])c1ccsc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596425529 479290644 /nfs/dbraw/zinc/29/06/44/479290644.db2.gz ZTAJRDFLTJMGJR-CQSZACIVSA-N 1 0 333.413 2.835 10 5 EFBERO CC1(C)CC(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000599431198 479294467 /nfs/dbraw/zinc/29/44/67/479294467.db2.gz VWNIOAJORODBIB-UHFFFAOYSA-N 1 0 331.416 2.789 10 5 EFBERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574518801 479301837 /nfs/dbraw/zinc/30/18/37/479301837.db2.gz UEHOVPBJWOQZED-HTQZYQBOSA-N 1 0 345.197 2.605 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179611 479304080 /nfs/dbraw/zinc/30/40/80/479304080.db2.gz GFXDXLABHYFBBP-NSHDSACASA-N 1 0 327.331 2.819 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180310 479304780 /nfs/dbraw/zinc/30/47/80/479304780.db2.gz WQDNPYKLEWLLPG-SNVBAGLBSA-N 1 0 343.330 2.519 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c2c(c1)COCO2 ZINC000599553380 479330977 /nfs/dbraw/zinc/33/09/77/479330977.db2.gz ROVQXPDTSVTYPK-CABCVRRESA-N 1 0 336.413 2.931 10 5 EFBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553481 479331535 /nfs/dbraw/zinc/33/15/35/479331535.db2.gz WPNSRZUXIMPQFW-GLQYFDAESA-N 1 0 335.429 2.892 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273855 479333668 /nfs/dbraw/zinc/33/36/68/479333668.db2.gz PRMZZFGRDIJYMV-UKRRQHHQSA-N 1 0 349.431 2.528 10 5 EFBERO CC[NH+](CC)CCSCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593422318 479334620 /nfs/dbraw/zinc/33/46/20/479334620.db2.gz HCNAYSODAZLADJ-UHFFFAOYSA-N 1 0 326.418 2.956 10 5 EFBERO O=C1C[C@H]([C@H]2CCCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])CN1 ZINC000611287517 479338596 /nfs/dbraw/zinc/33/85/96/479338596.db2.gz DQHDFBZDCOHPRR-JKWYKVDLSA-N 1 0 329.400 2.599 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000596565394 479341205 /nfs/dbraw/zinc/34/12/05/479341205.db2.gz HORJTQCHGYCIAL-HNNXBMFYSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596565407 479341251 /nfs/dbraw/zinc/34/12/51/479341251.db2.gz HWWLHTOLWLPMRG-CYBMUJFWSA-N 1 0 325.384 2.589 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000596568231 479342467 /nfs/dbraw/zinc/34/24/67/479342467.db2.gz QZXSMEKJMAHDJE-AWEZNQCLSA-N 1 0 344.415 2.690 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000596569558 479343654 /nfs/dbraw/zinc/34/36/54/479343654.db2.gz XKOHFFXVBHICMU-INIZCTEOSA-N 1 0 344.415 2.690 10 5 EFBERO CC(C)[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000593456777 479348583 /nfs/dbraw/zinc/34/85/83/479348583.db2.gz GICHWOQLBQCQOX-SFHVURJKSA-N 1 0 344.415 2.912 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599605103 479349395 /nfs/dbraw/zinc/34/93/95/479349395.db2.gz SBQUBYFLHRJIMN-WDEREUQCSA-N 1 0 346.309 2.876 10 5 EFBERO C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000593462391 479351520 /nfs/dbraw/zinc/35/15/20/479351520.db2.gz VPFVBINPZNHDRL-ZDUSSCGKSA-N 1 0 330.388 2.523 10 5 EFBERO C[C@@H]1C[N@@H+](CCN(C)c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000593471457 479356205 /nfs/dbraw/zinc/35/62/05/479356205.db2.gz YKHBVJDEMHYSGY-OKILXGFUSA-N 1 0 344.415 2.688 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625794 479358925 /nfs/dbraw/zinc/35/89/25/479358925.db2.gz PMLDDOGLNGKJAY-FJZAXULXSA-N 1 0 335.404 2.633 10 5 EFBERO COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599644491 479365746 /nfs/dbraw/zinc/36/57/46/479365746.db2.gz BFXZBXOGQLSCKH-RRFJBIMHSA-N 1 0 336.363 2.898 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599649561 479368950 /nfs/dbraw/zinc/36/89/50/479368950.db2.gz BNPKKYOHNYLFAW-BRWVUGGUSA-N 1 0 332.400 2.801 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCC[C@H]21 ZINC000599651468 479369786 /nfs/dbraw/zinc/36/97/86/479369786.db2.gz BTZSVEFYIFFBPZ-RRFJBIMHSA-N 1 0 348.399 2.767 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]2CCC[C@@H]21 ZINC000599651437 479370272 /nfs/dbraw/zinc/37/02/72/479370272.db2.gz BKNXLGJUUAAHMC-BZUAXINKSA-N 1 0 348.399 2.767 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587240147 479370793 /nfs/dbraw/zinc/37/07/93/479370793.db2.gz WOPOKCFMUBFLGW-ZDUSSCGKSA-N 1 0 336.436 2.736 10 5 EFBERO C[NH+](C)CCOc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647884 479371339 /nfs/dbraw/zinc/37/13/39/479371339.db2.gz XYNPPZMXXWEISY-UHFFFAOYSA-N 1 0 330.384 2.737 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccccc1 ZINC000588007912 479383163 /nfs/dbraw/zinc/38/31/63/479383163.db2.gz MKEXCIORZODVHB-WMZOPIPTSA-N 1 0 342.399 2.527 10 5 EFBERO O=C1[C@H]([N@@H+]2CCCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599673844 479383778 /nfs/dbraw/zinc/38/37/78/479383778.db2.gz ZPRCDYGKVUVRST-MRXNPFEDSA-N 1 0 329.400 2.966 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599685484 479389368 /nfs/dbraw/zinc/38/93/68/479389368.db2.gz YNXRWQHLOJJVOC-CUOATXAZSA-N 1 0 330.306 2.959 10 5 EFBERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687649 479391843 /nfs/dbraw/zinc/39/18/43/479391843.db2.gz FIIRCHJHCJQVMX-BTTYYORXSA-N 1 0 336.388 2.636 10 5 EFBERO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000599693731 479393698 /nfs/dbraw/zinc/39/36/98/479393698.db2.gz FYVDRLJCVDEESO-VXGBXAGGSA-N 1 0 336.388 2.765 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501375 479397409 /nfs/dbraw/zinc/39/74/09/479397409.db2.gz BEPKEJFCLDHYFZ-DGCLKSJQSA-N 1 0 339.367 2.612 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501903 479397705 /nfs/dbraw/zinc/39/77/05/479397705.db2.gz KJKWSRVIVARUIF-DGCLKSJQSA-N 1 0 339.367 2.612 10 5 EFBERO C[N@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1 ZINC000575102091 479402234 /nfs/dbraw/zinc/40/22/34/479402234.db2.gz OKIJWHPJIBLAPK-UHFFFAOYSA-N 1 0 345.403 2.920 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCn2cncn2)c2ccccc2)c1 ZINC000611521321 479404021 /nfs/dbraw/zinc/40/40/21/479404021.db2.gz BIBRTDOPWHFFQO-GOSISDBHSA-N 1 0 337.383 2.956 10 5 EFBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(F)c1 ZINC000611525317 479404560 /nfs/dbraw/zinc/40/45/60/479404560.db2.gz XLLYZCRILJZKDV-MRXNPFEDSA-N 1 0 348.378 2.523 10 5 EFBERO CC[NH+](CC)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)CC(C)C ZINC000611525526 479405735 /nfs/dbraw/zinc/40/57/35/479405735.db2.gz YDARCHIDJLNOSZ-OAHLLOKOSA-N 1 0 338.452 2.838 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593646107 479412067 /nfs/dbraw/zinc/41/20/67/479412067.db2.gz MRKORBWJHHWCHS-UHFFFAOYSA-N 1 0 334.372 2.665 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c(F)c1 ZINC000593653116 479413973 /nfs/dbraw/zinc/41/39/73/479413973.db2.gz SYCHRNZDLKACNW-GOSISDBHSA-N 1 0 330.359 2.700 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611579771 479424397 /nfs/dbraw/zinc/42/43/97/479424397.db2.gz WDZMCHJQZGEJDF-ZDUSSCGKSA-N 1 0 343.330 2.627 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000593693255 479424790 /nfs/dbraw/zinc/42/47/90/479424790.db2.gz JUCLADXTXMLSKJ-UHFFFAOYSA-N 1 0 330.331 2.839 10 5 EFBERO CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717010 479432791 /nfs/dbraw/zinc/43/27/91/479432791.db2.gz XARUPGCEULQOOT-HOTGVXAUSA-N 1 0 337.468 2.843 10 5 EFBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCOC1 ZINC000593725840 479435905 /nfs/dbraw/zinc/43/59/05/479435905.db2.gz YTJNHYVNABAWQE-XJKSGUPXSA-N 1 0 340.445 2.597 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833935 479446045 /nfs/dbraw/zinc/44/60/45/479446045.db2.gz AYGPOFSUEMCKGP-GFCCVEGCSA-N 1 0 345.403 2.993 10 5 EFBERO CCN1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000618469214 479458694 /nfs/dbraw/zinc/45/86/94/479458694.db2.gz VUHUVMYJFASWMV-NSHDSACASA-N 1 0 325.796 2.723 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599929826 479473585 /nfs/dbraw/zinc/47/35/85/479473585.db2.gz VBAGQKCPDRSMFS-MRXNPFEDSA-N 1 0 346.431 2.799 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502205 479532999 /nfs/dbraw/zinc/53/29/99/479532999.db2.gz OOIRZGHVAFAALA-CZUORRHYSA-N 1 0 349.431 2.686 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000589502209 479534036 /nfs/dbraw/zinc/53/40/36/479534036.db2.gz OPCXCXYTXCYJAF-MRXNPFEDSA-N 1 0 349.431 2.688 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000593987889 479534716 /nfs/dbraw/zinc/53/47/16/479534716.db2.gz XNLGTRFBJHOKPT-OAHLLOKOSA-N 1 0 341.367 2.766 10 5 EFBERO COC[C@H]1CCCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511994 479535430 /nfs/dbraw/zinc/53/54/30/479535430.db2.gz SCDQXRZIALDGJF-ZDUSSCGKSA-N 1 0 336.388 2.630 10 5 EFBERO COC[C@@H]1CCCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511992 479536230 /nfs/dbraw/zinc/53/62/30/479536230.db2.gz SCDQXRZIALDGJF-CYBMUJFWSA-N 1 0 336.388 2.630 10 5 EFBERO CCOC(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000600156018 479551009 /nfs/dbraw/zinc/55/10/09/479551009.db2.gz KZWOGXJHNVOMHN-UHFFFAOYSA-N 1 0 343.383 2.841 10 5 EFBERO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045211 479564916 /nfs/dbraw/zinc/56/49/16/479564916.db2.gz UHVKGLXATKOMHA-GDBMZVCRSA-N 1 0 338.404 2.920 10 5 EFBERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117428 479580364 /nfs/dbraw/zinc/58/03/64/479580364.db2.gz PFSPHBUSOHQHBU-NSHDSACASA-N 1 0 348.403 2.929 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000594102166 479588409 /nfs/dbraw/zinc/58/84/09/479588409.db2.gz GMUOITLNUHTRDK-AOOOYVTPSA-N 1 0 345.321 2.684 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000594105406 479588908 /nfs/dbraw/zinc/58/89/08/479588908.db2.gz BHYIQJALWATXRX-XBXGTLAGSA-N 1 0 333.432 2.962 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000590052423 479595496 /nfs/dbraw/zinc/59/54/96/479595496.db2.gz BXPBQPVXVIYPNB-CXAGYDPISA-N 1 0 327.384 2.991 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000590053071 479597006 /nfs/dbraw/zinc/59/70/06/479597006.db2.gz WIWMGAYCIPJWOS-YOEHRIQHSA-N 1 0 327.384 2.991 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000590052564 479597513 /nfs/dbraw/zinc/59/75/13/479597513.db2.gz DZTNHPSAXPJWKI-PBHICJAKSA-N 1 0 327.384 2.991 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCOC[C@H]2CC2CCC2)c1 ZINC000590381729 479636582 /nfs/dbraw/zinc/63/65/82/479636582.db2.gz CZXNVRLIRPOKDA-MRXNPFEDSA-N 1 0 348.399 2.772 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597247924 479643390 /nfs/dbraw/zinc/64/33/90/479643390.db2.gz JOVJUODMGLRAFB-AFCDSYGPSA-N 1 0 333.432 2.651 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000597255613 479646786 /nfs/dbraw/zinc/64/67/86/479646786.db2.gz WQEDTELCVDUDBS-KRWDZBQOSA-N 1 0 327.384 2.983 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590441278 479647908 /nfs/dbraw/zinc/64/79/08/479647908.db2.gz CZHGDNPBHNXKDA-WFASDCNBSA-N 1 0 349.456 2.871 10 5 EFBERO C[NH+](C)C1CC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590542044 479657754 /nfs/dbraw/zinc/65/77/54/479657754.db2.gz XNJYTKSTQSQVLB-UHFFFAOYSA-N 1 0 346.412 2.541 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590548148 479658113 /nfs/dbraw/zinc/65/81/13/479658113.db2.gz SYUDHYOZPHVKPT-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO COC(=O)c1c(Cl)c(N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590587012 479664269 /nfs/dbraw/zinc/66/42/69/479664269.db2.gz SWTQDPGEJGSTPU-SNVBAGLBSA-N 1 0 341.795 2.565 10 5 EFBERO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000590598554 479667045 /nfs/dbraw/zinc/66/70/45/479667045.db2.gz AEIJVSZOJPMVNF-DYVFJYSZSA-N 1 0 344.415 2.883 10 5 EFBERO C[C@H]([NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000590598556 479667217 /nfs/dbraw/zinc/66/72/17/479667217.db2.gz AEIJVSZOJPMVNF-SUMWQHHRSA-N 1 0 344.415 2.883 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(Nc3cnn(-c4cc[nH+]cc4)c3)c21 ZINC000612444775 479673313 /nfs/dbraw/zinc/67/33/13/479673313.db2.gz OWDGZUSLKWHCMZ-UHFFFAOYSA-N 1 0 333.311 2.862 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610002477 480227064 /nfs/dbraw/zinc/22/70/64/480227064.db2.gz MQTYGCDJWDZRQL-QAPCUYQASA-N 1 0 333.432 2.843 10 5 EFBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Br ZINC000181566492 533877231 /nfs/dbraw/zinc/87/72/31/533877231.db2.gz UAGYTVCKIRIMAW-JTQLQIEISA-N 1 0 339.193 2.905 10 5 EFBERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223521 519871774 /nfs/dbraw/zinc/87/17/74/519871774.db2.gz KXWGTODOPYQAAT-OCCSQVGLSA-N 1 0 329.404 2.975 10 5 EFBERO CCOc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119103139 520895248 /nfs/dbraw/zinc/89/52/48/520895248.db2.gz DZURBCUNOFRJTL-HUUCEWRRSA-N 1 0 347.415 2.550 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000356981178 534540684 /nfs/dbraw/zinc/54/06/84/534540684.db2.gz VEECNKSWOCDUTD-UHFFFAOYSA-N 1 0 345.443 2.932 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245420196 521629212 /nfs/dbraw/zinc/62/92/12/521629212.db2.gz MSLJKSSWPHWULD-CZUORRHYSA-N 1 0 334.420 2.782 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176967072 521650470 /nfs/dbraw/zinc/65/04/70/521650470.db2.gz HZZUYGFMDYKZIB-KRWDZBQOSA-N 1 0 348.447 2.730 10 5 EFBERO C[NH2+]C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000179145120 521950375 /nfs/dbraw/zinc/95/03/75/521950375.db2.gz USJUFVUVXORGAU-UHFFFAOYSA-N 1 0 346.412 2.542 10 5 EFBERO COc1cc(C[NH2+]C[C@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000077455738 522462305 /nfs/dbraw/zinc/46/23/05/522462305.db2.gz LGJPBSQAEJPGBR-QGZVFWFLSA-N 1 0 340.420 2.889 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632099 522532772 /nfs/dbraw/zinc/53/27/72/522532772.db2.gz ZLUYHHAVXHTTQL-HIFRSBDPSA-N 1 0 329.404 2.804 10 5 EFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614482 522533869 /nfs/dbraw/zinc/53/38/69/522533869.db2.gz XNRUPOCJXYKSMC-CHWSQXEVSA-N 1 0 329.404 2.723 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706136 522716783 /nfs/dbraw/zinc/71/67/83/522716783.db2.gz GCIKUZPBDUEFKG-IAGOWNOFSA-N 1 0 346.431 2.926 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000246011500 523319534 /nfs/dbraw/zinc/31/95/34/523319534.db2.gz IFVYJFPAXCMJOH-JSGCOSHPSA-N 1 0 348.403 2.694 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245431067 523320288 /nfs/dbraw/zinc/32/02/88/523320288.db2.gz MNBZOCTXUZDPQX-ZFWWWQNUSA-N 1 0 332.404 2.994 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000246011502 523485634 /nfs/dbraw/zinc/48/56/34/523485634.db2.gz IFVYJFPAXCMJOH-OCCSQVGLSA-N 1 0 348.403 2.694 10 5 EFBERO C[NH+](C)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091672191 524040061 /nfs/dbraw/zinc/04/00/61/524040061.db2.gz XBEJMZTWUQPNTH-UHFFFAOYSA-N 1 0 329.347 2.722 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194703081 524902184 /nfs/dbraw/zinc/90/21/84/524902184.db2.gz QCANQUJHXLEWMZ-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363384044 525465181 /nfs/dbraw/zinc/46/51/81/525465181.db2.gz FKQZMMLMPVCPSQ-OAHLLOKOSA-N 1 0 333.388 2.806 10 5 EFBERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000178052487 525899450 /nfs/dbraw/zinc/89/94/50/525899450.db2.gz PPBRLGVGDHPXJN-CYBMUJFWSA-N 1 0 338.371 2.730 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152666243 525988482 /nfs/dbraw/zinc/98/84/82/525988482.db2.gz XHOYHIARSGKWEU-OLZOCXBDSA-N 1 0 337.445 2.581 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152666147 525989839 /nfs/dbraw/zinc/98/98/39/525989839.db2.gz XHOYHIARSGKWEU-STQMWFEESA-N 1 0 337.445 2.581 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508426 526079106 /nfs/dbraw/zinc/07/91/06/526079106.db2.gz DYSOFFQRHGFDEF-AWEZNQCLSA-N 1 0 344.415 2.724 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508428 526084056 /nfs/dbraw/zinc/08/40/56/526084056.db2.gz DYSOFFQRHGFDEF-CQSZACIVSA-N 1 0 344.415 2.724 10 5 EFBERO Cc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000261727576 526231152 /nfs/dbraw/zinc/23/11/52/526231152.db2.gz MJXRRJAYBFLRFC-UHFFFAOYSA-N 1 0 327.384 2.547 10 5 EFBERO O=C(NCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179989513 526337611 /nfs/dbraw/zinc/33/76/11/526337611.db2.gz IEQBEUVZEFDOIB-SFHVURJKSA-N 1 0 339.395 2.800 10 5 EFBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000062229206 526506754 /nfs/dbraw/zinc/50/67/54/526506754.db2.gz ZCVZJAKNSHWQOK-HNNXBMFYSA-N 1 0 343.383 2.972 10 5 EFBERO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231464351 536463525 /nfs/dbraw/zinc/46/35/25/536463525.db2.gz IJGIAWMHPQSYGT-LBPRGKRZSA-N 1 0 342.237 2.931 10 5 EFBERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128735679 526889581 /nfs/dbraw/zinc/88/95/81/526889581.db2.gz DPBNQLCNIUXXPJ-HIFRSBDPSA-N 1 0 343.387 2.503 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195222233 527261974 /nfs/dbraw/zinc/26/19/74/527261974.db2.gz KOJYBUADRJTCKA-LBPRGKRZSA-N 1 0 338.795 2.950 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246225927 527393558 /nfs/dbraw/zinc/39/35/58/527393558.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 1 0 345.443 2.577 10 5 EFBERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174661218 528130927 /nfs/dbraw/zinc/13/09/27/528130927.db2.gz RTDDTSRMQVXQKR-CXAGYDPISA-N 1 0 332.404 2.626 10 5 EFBERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174661205 528140537 /nfs/dbraw/zinc/14/05/37/528140537.db2.gz RTDDTSRMQVXQKR-GUYCJALGSA-N 1 0 332.404 2.626 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181878570 528230647 /nfs/dbraw/zinc/23/06/47/528230647.db2.gz BJDSZYAEMFUXMP-JTQLQIEISA-N 1 0 345.346 2.656 10 5 EFBERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652376 528476322 /nfs/dbraw/zinc/47/63/22/528476322.db2.gz UDMHYYPGMPVMIH-JSGCOSHPSA-N 1 0 329.404 2.975 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684350 535411894 /nfs/dbraw/zinc/41/18/94/535411894.db2.gz PEXPDLZEEZARDE-CZUORRHYSA-N 1 0 345.399 2.815 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000356249287 535702272 /nfs/dbraw/zinc/70/22/72/535702272.db2.gz CRCSQEBQKZTCHQ-GOSISDBHSA-N 1 0 347.415 2.551 10 5 EFBERO CCOc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000347447315 535705808 /nfs/dbraw/zinc/70/58/08/535705808.db2.gz XZXRMHXTVZQISD-UHFFFAOYSA-N 1 0 347.415 2.598 10 5 EFBERO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000349958273 535741372 /nfs/dbraw/zinc/74/13/72/535741372.db2.gz AUUZQDRLPCQMPY-SFHVURJKSA-N 1 0 335.448 2.836 10 5 EFBERO C[NH+](C)Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000360087081 535990846 /nfs/dbraw/zinc/99/08/46/535990846.db2.gz VBBPUKKHGLUWRE-UHFFFAOYSA-N 1 0 331.347 2.726 10 5 EFBERO CCn1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000105870133 536055690 /nfs/dbraw/zinc/05/56/90/536055690.db2.gz ZXCXDXCEERKPRN-UHFFFAOYSA-N 1 0 343.431 2.519 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347930465 536067227 /nfs/dbraw/zinc/06/72/27/536067227.db2.gz SHTYCYWRFYUKGN-CQSZACIVSA-N 1 0 345.424 2.976 10 5 EFBERO COc1cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433057281 536746898 /nfs/dbraw/zinc/74/68/98/536746898.db2.gz GJOPYQPXCZQTSS-INIZCTEOSA-N 1 0 330.384 2.639 10 5 EFBERO COCC[N@H+](C)CCCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000346679094 536779846 /nfs/dbraw/zinc/77/98/46/536779846.db2.gz YWWQDTKKCIPOHO-UHFFFAOYSA-N 1 0 336.436 2.565 10 5 EFBERO COc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000194315616 537080596 /nfs/dbraw/zinc/08/05/96/537080596.db2.gz IPYUQJDTAVDBNG-AWEZNQCLSA-N 1 0 347.415 2.694 10 5 EFBERO COC(=O)/C=C\c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000754025065 575377031 /nfs/dbraw/zinc/37/70/31/575377031.db2.gz OJVWFEQSXABDOP-HKGVJKBXSA-N 1 0 345.399 2.818 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754414740 575433385 /nfs/dbraw/zinc/43/33/85/575433385.db2.gz KCGQEYHLBLDJHX-GHRAKNKNSA-N 1 0 331.416 2.939 10 5 EFBERO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432518 575435575 /nfs/dbraw/zinc/43/55/75/575435575.db2.gz ZGZPKRUHDIWMBD-HOTGVXAUSA-N 1 0 332.404 2.719 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000755095976 575540805 /nfs/dbraw/zinc/54/08/05/575540805.db2.gz CDOCXVARHYULLO-OKFGHLOFSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000755297995 575571655 /nfs/dbraw/zinc/57/16/55/575571655.db2.gz WFYQNQWECGJMHE-DDKJEQMHSA-N 1 0 329.400 2.599 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000755349875 575577094 /nfs/dbraw/zinc/57/70/94/575577094.db2.gz XNFXIFOJQKBIGJ-HECSCLNYSA-N 1 0 331.416 2.989 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000755349880 575577232 /nfs/dbraw/zinc/57/72/32/575577232.db2.gz XNFXIFOJQKBIGJ-WCRPCQDQSA-N 1 0 331.416 2.989 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@H]1c1ccccc1 ZINC000758251272 575864876 /nfs/dbraw/zinc/86/48/76/575864876.db2.gz IPOOSSZYAIVCDG-SUMWQHHRSA-N 1 0 339.355 2.988 10 5 EFBERO Cc1cc(F)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000758507616 575871151 /nfs/dbraw/zinc/87/11/51/575871151.db2.gz UWZBSQXMDNFINZ-AGUYFDCRSA-N 1 0 335.379 2.787 10 5 EFBERO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000762188192 576272101 /nfs/dbraw/zinc/27/21/01/576272101.db2.gz VONJSVZJEOYKHY-UHFFFAOYSA-N 1 0 332.404 2.517 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849332 577082703 /nfs/dbraw/zinc/08/27/03/577082703.db2.gz OLOQXTWRQXYZNK-LRDDRELGSA-N 1 0 344.367 2.750 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000727059931 577432191 /nfs/dbraw/zinc/43/21/91/577432191.db2.gz OPJWESMVRWKVLN-HNNXBMFYSA-N 1 0 346.774 2.719 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000727059933 577432270 /nfs/dbraw/zinc/43/22/70/577432270.db2.gz OPJWESMVRWKVLN-OAHLLOKOSA-N 1 0 346.774 2.719 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001691425027 1248785187 /nfs/dbraw/zinc/78/51/87/1248785187.db2.gz GEORQFYLGZKVBG-WXQBEPBSSA-N 1 0 343.427 2.936 10 5 EFBERO CC/C=C(/C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691489414 1249594783 /nfs/dbraw/zinc/59/47/83/1249594783.db2.gz VVIBZUIKXCHEAY-ICFOCBMYSA-N 1 0 331.416 2.936 10 5 EFBERO CC[N@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691035579 1248031519 /nfs/dbraw/zinc/03/15/19/1248031519.db2.gz HGWXOVAGIMRXTB-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC001687333882 1248259933 /nfs/dbraw/zinc/25/99/33/1248259933.db2.gz NNENIKSJKDYKMW-KGLIPLIRSA-N 1 0 334.420 2.527 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490806 1250505771 /nfs/dbraw/zinc/50/57/71/1250505771.db2.gz GZQPGVQPPHHSST-MGUXCZDKSA-N 1 0 338.351 2.865 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(F)cc1 ZINC001691580616 1251789306 /nfs/dbraw/zinc/78/93/06/1251789306.db2.gz CYHRIWPQFMORCT-UHFFFAOYSA-N 1 0 345.374 2.525 10 5 EFBERO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458432 1266075123 /nfs/dbraw/zinc/07/51/23/1266075123.db2.gz PHRVQMVTRBKAPJ-MFKMUULPSA-N 1 0 334.294 2.803 10 5 EFBERO Cc1nc(Cl)nc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000715654365 1261255672 /nfs/dbraw/zinc/25/56/72/1261255672.db2.gz PLMTZXIYURWJIF-UHFFFAOYSA-N 1 0 347.806 2.891 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922595325 1266418195 /nfs/dbraw/zinc/41/81/95/1266418195.db2.gz PINYMSZJMDFBBQ-PTNGSMBKSA-N 1 0 346.427 2.909 10 5 EFBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923414678 1261628277 /nfs/dbraw/zinc/62/82/77/1261628277.db2.gz NCKXHPJTZUWAKF-DLBZAZTESA-N 1 0 327.384 2.927 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCOC3)cc1[N+](=O)[O-] ZINC000921819397 1261827099 /nfs/dbraw/zinc/82/70/99/1261827099.db2.gz ZBEDQKFSYXFLRX-GFCCVEGCSA-N 1 0 330.388 2.560 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccoc1 ZINC001273041114 1266578647 /nfs/dbraw/zinc/57/86/47/1266578647.db2.gz YBFHJWNCCDGGQG-UHFFFAOYSA-N 1 0 329.356 2.630 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC000824655844 1278222950 /nfs/dbraw/zinc/22/29/50/1278222950.db2.gz ZZFJNYFVYNJYOM-IOASZLSFSA-N 1 0 340.807 2.610 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CCC2CC=CC2)cc1[N+](=O)[O-] ZINC000922734072 1266705596 /nfs/dbraw/zinc/70/55/96/1266705596.db2.gz YJLCIPNIXSAPHH-UHFFFAOYSA-N 1 0 334.372 2.593 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000922723785 1266681104 /nfs/dbraw/zinc/68/11/04/1266681104.db2.gz CYOBWUSKFMPAQG-IAISJRAMSA-N 1 0 344.367 2.748 10 5 EFBERO Cc1ccccc1[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000741776540 1269692036 /nfs/dbraw/zinc/69/20/36/1269692036.db2.gz LTJLWSHHFNDZAS-LJQANCHMSA-N 1 0 341.411 2.759 10 5 EFBERO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000742393006 1270020218 /nfs/dbraw/zinc/02/02/18/1270020218.db2.gz BQLUCFNWPZEASQ-UHFFFAOYSA-N 1 0 348.447 2.513 10 5 EFBERO Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406301 1271030661 /nfs/dbraw/zinc/03/06/61/1271030661.db2.gz BIVQVQOLWIZYJK-RHSMWYFYSA-N 1 0 342.399 2.518 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000843963891 1278683826 /nfs/dbraw/zinc/68/38/26/1278683826.db2.gz GNBPYDUCNMWCRD-MRXNPFEDSA-N 1 0 338.383 2.788 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844439612 1279008466 /nfs/dbraw/zinc/00/84/66/1279008466.db2.gz PDJMPFFQYPQJML-OAHLLOKOSA-N 1 0 339.342 2.963 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788469549 1276188156 /nfs/dbraw/zinc/18/81/56/1276188156.db2.gz GASDLDCVYOWRBK-MLGOLLRUSA-N 1 0 330.388 2.825 10 5 EFBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788802046 1276316607 /nfs/dbraw/zinc/31/66/07/1276316607.db2.gz NRYMLDNUQQKDCY-LRDDRELGSA-N 1 0 342.399 2.705 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cc1 ZINC000788815782 1276335828 /nfs/dbraw/zinc/33/58/28/1276335828.db2.gz GBJYYXDNDYSASI-GOSISDBHSA-N 1 0 333.432 2.658 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922952758 1276385338 /nfs/dbraw/zinc/38/53/38/1276385338.db2.gz HXBMYJPIYUIHMB-HVEPWOEZSA-N 1 0 345.443 2.841 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000923028299 1276565654 /nfs/dbraw/zinc/56/56/54/1276565654.db2.gz WJEVACFHRBAHRM-HNNXBMFYSA-N 1 0 334.372 2.653 10 5 EFBERO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819059799 1276586807 /nfs/dbraw/zinc/58/68/07/1276586807.db2.gz LBSFEDLOPBNEHE-FZKQIMNGSA-N 1 0 330.384 2.858 10 5 EFBERO Cc1noc(C2CCC([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000819141628 1276627041 /nfs/dbraw/zinc/62/70/41/1276627041.db2.gz KEPORKKIRROKHD-LDZOIKDWSA-N 1 0 346.387 2.636 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000819377945 1276762168 /nfs/dbraw/zinc/76/21/68/1276762168.db2.gz XCYPPAJZABXSTD-QAPCUYQASA-N 1 0 345.374 2.636 10 5 EFBERO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001136348506 1277210523 /nfs/dbraw/zinc/21/05/23/1277210523.db2.gz LRXMKYXTZKQDBD-UHFFFAOYSA-N 1 0 337.395 2.928 10 5 EFBERO COc1cc(Cc2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000844912427 1279360601 /nfs/dbraw/zinc/36/06/01/1279360601.db2.gz GBSIDZBVMDIAPL-STQMWFEESA-N 1 0 344.371 2.780 10 5 EFBERO COc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846039688 1279996063 /nfs/dbraw/zinc/99/60/63/1279996063.db2.gz RBEXODODNLKAAY-ACJLOTCBSA-N 1 0 330.384 2.989 10 5 EFBERO Cc1cc(F)cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000794209420 1280093903 /nfs/dbraw/zinc/09/39/03/1280093903.db2.gz MXIUGKCLUATPOG-UHFFFAOYSA-N 1 0 335.379 2.789 10 5 EFBERO CC(C)C[N@@H+]1CCO[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017816 1287400317 /nfs/dbraw/zinc/40/03/17/1287400317.db2.gz FHYSWOTYYNFRBZ-KGLIPLIRSA-N 1 0 339.411 2.741 10 5 EFBERO C[C@H](NC[C@]1([NH+](C)C)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039484 1287408481 /nfs/dbraw/zinc/40/84/81/1287408481.db2.gz FXCVOCUAFAKCLA-XHDPSFHLSA-N 1 0 327.425 2.822 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040267 1287408683 /nfs/dbraw/zinc/40/86/83/1287408683.db2.gz WWNIFMJZQSUSLB-OLZOCXBDSA-N 1 0 347.394 2.787 10 5 EFBERO C/C(=C\C(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000846614149 1280320507 /nfs/dbraw/zinc/32/05/07/1280320507.db2.gz JTDGGMUUPMWCRK-CCEZHUSRSA-N 1 0 331.416 2.942 10 5 EFBERO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000872082998 1287423563 /nfs/dbraw/zinc/42/35/63/1287423563.db2.gz FPLZGTOSBUJNQP-MQYQWHSLSA-N 1 0 339.411 2.882 10 5 EFBERO COC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872085900 1287424639 /nfs/dbraw/zinc/42/46/39/1287424639.db2.gz RUFNLQXZIDYYNL-RISCZKNCSA-N 1 0 326.368 2.826 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872093053 1287426174 /nfs/dbraw/zinc/42/61/74/1287426174.db2.gz UGTIMTVZJBJFEF-QWHCGFSZSA-N 1 0 338.379 2.970 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872108473 1287430373 /nfs/dbraw/zinc/43/03/73/1287430373.db2.gz ZPCBTRMIWYKVIN-SWLSCSKDSA-N 1 0 335.404 2.717 10 5 EFBERO O=C1OCC[C@@H]1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872112469 1287431963 /nfs/dbraw/zinc/43/19/63/1287431963.db2.gz BXJPBOHCUVUINB-GOEBONIOSA-N 1 0 332.400 2.849 10 5 EFBERO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872110755 1287432706 /nfs/dbraw/zinc/43/27/06/1287432706.db2.gz PCHNPSVTPZQNRL-SSDOTTSWSA-N 1 0 343.252 2.999 10 5 EFBERO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(F)(F)F ZINC000872147525 1287444011 /nfs/dbraw/zinc/44/40/11/1287444011.db2.gz BVIUGODFLAAQNL-KOLCDFICSA-N 1 0 337.729 2.817 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000872219933 1287483103 /nfs/dbraw/zinc/48/31/03/1287483103.db2.gz BHGIRLQLCLYFHE-KRXQYRFLSA-N 1 0 334.416 2.893 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1 ZINC000872224091 1287485899 /nfs/dbraw/zinc/48/58/99/1287485899.db2.gz UUOXQOLSVGWMLZ-IAGOWNOFSA-N 1 0 334.416 2.957 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCSCCC(F)(F)F)c1 ZINC000872231998 1287488215 /nfs/dbraw/zinc/48/82/15/1287488215.db2.gz WMIFWUUJZWVLCY-GFCCVEGCSA-N 1 0 338.351 2.903 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000872232002 1287488362 /nfs/dbraw/zinc/48/83/62/1287488362.db2.gz WSHZABKYKDWAMT-INIZCTEOSA-N 1 0 330.384 2.741 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001175642936 1287499749 /nfs/dbraw/zinc/49/97/49/1287499749.db2.gz GCTDEGGAEVKHJQ-OCCSQVGLSA-N 1 0 343.387 2.551 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2C=CCC2)cc1 ZINC000872248812 1287500598 /nfs/dbraw/zinc/50/05/98/1287500598.db2.gz WSUCULDXLCPJPB-AWEZNQCLSA-N 1 0 338.429 2.705 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872269702 1287512694 /nfs/dbraw/zinc/51/26/94/1287512694.db2.gz ONYQBBIMYCPCKV-NSHDSACASA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000872274033 1287516064 /nfs/dbraw/zinc/51/60/64/1287516064.db2.gz JUWOTZLLXAMCLB-NSHDSACASA-N 1 0 325.796 2.756 10 5 EFBERO C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC001175890911 1287579209 /nfs/dbraw/zinc/57/92/09/1287579209.db2.gz YWVSCNAONGHMNX-NSHDSACASA-N 1 0 327.340 2.891 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000811500748 1284383440 /nfs/dbraw/zinc/38/34/40/1284383440.db2.gz MDTJWRZUYKCIKP-CQSZACIVSA-N 1 0 341.367 2.766 10 5 EFBERO Cc1ccccc1[C@@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001176177187 1287729075 /nfs/dbraw/zinc/72/90/75/1287729075.db2.gz UATIBJWJNDHDJR-GOSISDBHSA-N 1 0 330.384 2.947 10 5 EFBERO Nc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635030 1289075299 /nfs/dbraw/zinc/07/52/99/1289075299.db2.gz OAUBTKLUXOUGDG-ICCXJUOJSA-N 1 0 329.360 2.820 10 5 EFBERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134555992 1286910500 /nfs/dbraw/zinc/91/05/00/1286910500.db2.gz KBKFJYXAYHIPDL-ZDUSSCGKSA-N 1 0 342.399 2.544 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001179398715 1289121999 /nfs/dbraw/zinc/12/19/99/1289121999.db2.gz MDWGXVWXXGOKJV-CABCVRRESA-N 1 0 333.432 2.935 10 5 EFBERO CC[N@@H+]1CC[C@H]2OCCN(c3nc4ccc([N+](=O)[O-])cc4s3)[C@H]2C1 ZINC000814905535 1287145901 /nfs/dbraw/zinc/14/59/01/1287145901.db2.gz JHYCBJDCLKCPPK-UONOGXRCSA-N 1 0 348.428 2.504 10 5 EFBERO CN(C(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001176621058 1288050261 /nfs/dbraw/zinc/05/02/61/1288050261.db2.gz XMDYWORMNALWRQ-BDEJMISXSA-N 1 0 341.411 2.702 10 5 EFBERO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCCCCC1 ZINC001135793518 1288376731 /nfs/dbraw/zinc/37/67/31/1288376731.db2.gz BIHZQUBPFUFKSZ-UHFFFAOYSA-N 1 0 334.420 2.561 10 5 EFBERO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817412192 1288590345 /nfs/dbraw/zinc/59/03/45/1288590345.db2.gz GFIQTXPHYKWIQD-XYPYZODXSA-N 1 0 325.796 2.630 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(C)(C)C1 ZINC001178710235 1288882451 /nfs/dbraw/zinc/88/24/51/1288882451.db2.gz YCPMUUIZUIHZNO-AWEZNQCLSA-N 1 0 333.413 2.880 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178856158 1288944963 /nfs/dbraw/zinc/94/49/63/1288944963.db2.gz IBLDITRAIZHGOV-CYBMUJFWSA-N 1 0 325.796 2.708 10 5 EFBERO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001136820619 1289531222 /nfs/dbraw/zinc/53/12/22/1289531222.db2.gz AXPQJCZOBAOWIL-GFCCVEGCSA-N 1 0 337.807 2.949 10 5 EFBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000824634883 1289733720 /nfs/dbraw/zinc/73/37/20/1289733720.db2.gz CJUGNNJGESJZSQ-ZWNOBZJWSA-N 1 0 343.221 2.950 10 5 EFBERO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(F)F ZINC000824637224 1289734559 /nfs/dbraw/zinc/73/45/59/1289734559.db2.gz WXEPECBVZPVNLH-GJZGRUSLSA-N 1 0 343.374 2.558 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001137108796 1290947791 /nfs/dbraw/zinc/94/77/91/1290947791.db2.gz NJNOWQWVTBDGFB-LLVKDONJSA-N 1 0 325.796 2.805 10 5 EFBERO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001186633908 1291002355 /nfs/dbraw/zinc/00/23/55/1291002355.db2.gz YJMRTZXTVDXELX-VIFPVBQESA-N 1 0 337.346 2.879 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534451 1312831699 /nfs/dbraw/zinc/83/16/99/1312831699.db2.gz FVIKBRAAFPVOHS-OLZOCXBDSA-N 1 0 347.337 2.705 10 5 EFBERO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903539060 1312838394 /nfs/dbraw/zinc/83/83/94/1312838394.db2.gz JCJXMGMEYYHCOB-QWRGUYRKSA-N 1 0 337.729 2.960 10 5 EFBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001187880313 1291261671 /nfs/dbraw/zinc/26/16/71/1291261671.db2.gz CZBVDXMBBMQWKT-SNVBAGLBSA-N 1 0 341.209 2.506 10 5 EFBERO CCOC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877839691 1291402193 /nfs/dbraw/zinc/40/21/93/1291402193.db2.gz XGBBPTPHGAOGBI-CHWSQXEVSA-N 1 0 346.305 2.768 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)CN1CCOCC1 ZINC001190527911 1292201970 /nfs/dbraw/zinc/20/19/70/1292201970.db2.gz IXQNRYCKBFWKHK-MRXNPFEDSA-N 1 0 335.448 2.774 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880508667 1292523468 /nfs/dbraw/zinc/52/34/68/1292523468.db2.gz UZJZOXVBZDDFCM-WBVHZDCISA-N 1 0 333.388 2.533 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000880514979 1292526283 /nfs/dbraw/zinc/52/62/83/1292526283.db2.gz GAPBIYRJERYUNQ-VMGRFDJRSA-N 1 0 333.388 2.613 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882499050 1293227033 /nfs/dbraw/zinc/22/70/33/1293227033.db2.gz IPDSAJYCFJTVNB-UHFFFAOYSA-N 1 0 337.807 2.949 10 5 EFBERO CC1([NH+]2CCC2)CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000882501930 1293227615 /nfs/dbraw/zinc/22/76/15/1293227615.db2.gz VLGNUNFCPJRUEY-UHFFFAOYSA-N 1 0 349.456 2.774 10 5 EFBERO CC(C)OC(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001195605640 1293981798 /nfs/dbraw/zinc/98/17/98/1293981798.db2.gz RUOCXHVUNKJOFI-MRXNPFEDSA-N 1 0 338.404 2.930 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198704978 1295217483 /nfs/dbraw/zinc/21/74/83/1295217483.db2.gz FSIDZGYXICUHJD-INIZCTEOSA-N 1 0 330.388 2.563 10 5 EFBERO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887095486 1295275023 /nfs/dbraw/zinc/27/50/23/1295275023.db2.gz NMLKZSXODPCZFP-MRXNPFEDSA-N 1 0 344.367 2.531 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1occc1Cl ZINC001274338836 1296070572 /nfs/dbraw/zinc/07/05/72/1296070572.db2.gz IUUAEMRZCXUXCI-ONEGZZNKSA-N 1 0 349.774 2.917 10 5 EFBERO Cc1ncccc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001276196452 1296643173 /nfs/dbraw/zinc/64/31/73/1296643173.db2.gz YVAGWYREUFSJJD-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000925764328 1296877233 /nfs/dbraw/zinc/87/72/33/1296877233.db2.gz YJVUXAQZJHYJBA-STQMWFEESA-N 1 0 342.237 2.978 10 5 EFBERO COc1cc(CN2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000931354396 1297331042 /nfs/dbraw/zinc/33/10/42/1297331042.db2.gz KOMWJLYYKUPIOL-UHFFFAOYSA-N 1 0 325.384 2.659 10 5 EFBERO COc1ccc(-c2ccc(CNC[C@@H]3C[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000903966790 1313507934 /nfs/dbraw/zinc/50/79/34/1313507934.db2.gz CIGKVRRTOGMZQR-OLZOCXBDSA-N 1 0 345.399 2.809 10 5 EFBERO [NH3+][C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903982875 1313535063 /nfs/dbraw/zinc/53/50/63/1313535063.db2.gz YHLLYVAKPPAERP-QMVVBGKPSA-N 1 0 329.322 2.820 10 5 EFBERO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903983296 1313535349 /nfs/dbraw/zinc/53/53/49/1313535349.db2.gz FEJKQOAOJHYLSC-MWLCHTKSSA-N 1 0 337.729 2.960 10 5 EFBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc[nH]1 ZINC001490364371 1298857555 /nfs/dbraw/zinc/85/75/55/1298857555.db2.gz RWAIGAJBOWDVBR-UHFFFAOYSA-N 1 0 342.399 2.707 10 5 EFBERO CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001490616398 1299043104 /nfs/dbraw/zinc/04/31/04/1299043104.db2.gz GBBCIJKXMQHRFZ-SDKBWNRFSA-N 1 0 337.464 2.711 10 5 EFBERO COC(=O)/C=C\c1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779914630 1299124738 /nfs/dbraw/zinc/12/47/38/1299124738.db2.gz WJIQWEOVRDUUJM-ALCCZGGFSA-N 1 0 347.415 2.925 10 5 EFBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590099 1299686199 /nfs/dbraw/zinc/68/61/99/1299686199.db2.gz CDXKCLZDFUJGLJ-XVSDVWIESA-N 1 0 342.395 2.952 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000852563365 1299758065 /nfs/dbraw/zinc/75/80/65/1299758065.db2.gz RPRIVMFEAOTNMR-BBRMVZONSA-N 1 0 332.379 2.968 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852897499 1299930589 /nfs/dbraw/zinc/93/05/89/1299930589.db2.gz CGOSYMGIBKRGIZ-CTEOGUNLSA-N 1 0 343.427 2.846 10 5 EFBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852897483 1299930938 /nfs/dbraw/zinc/93/09/38/1299930938.db2.gz BMRGUUCROJVQAV-ZDUSSCGKSA-N 1 0 335.379 2.586 10 5 EFBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852897501 1299931704 /nfs/dbraw/zinc/93/17/04/1299931704.db2.gz CGOSYMGIBKRGIZ-ZGRWHYIRSA-N 1 0 343.427 2.846 10 5 EFBERO CC(C)[C@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853114822 1300013670 /nfs/dbraw/zinc/01/36/70/1300013670.db2.gz QSIHJCYWQFHQSU-QRVBRYPASA-N 1 0 344.411 2.976 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000853125514 1300017150 /nfs/dbraw/zinc/01/71/50/1300017150.db2.gz UGLDRXPFDATSCL-ZJPYXAASSA-N 1 0 328.343 2.695 10 5 EFBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C2 ZINC000853543128 1300157650 /nfs/dbraw/zinc/15/76/50/1300157650.db2.gz NOOSPIANZHGAMI-HDICACEKSA-N 1 0 342.399 2.774 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000853796586 1300282905 /nfs/dbraw/zinc/28/29/05/1300282905.db2.gz YXPRAJLTVCMVGQ-HNNXBMFYSA-N 1 0 345.374 2.913 10 5 EFBERO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853964866 1300367154 /nfs/dbraw/zinc/36/71/54/1300367154.db2.gz CMUKJBQEDAOCQJ-ZDUSSCGKSA-N 1 0 339.823 2.592 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000853990646 1300378087 /nfs/dbraw/zinc/37/80/87/1300378087.db2.gz RHYFXCHUIVQHHE-CYBMUJFWSA-N 1 0 327.812 2.795 10 5 EFBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548783 1300414825 /nfs/dbraw/zinc/41/48/25/1300414825.db2.gz ZOHCONONXFOYGA-BXUZGUMPSA-N 1 0 337.807 2.852 10 5 EFBERO CCN(C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489592 1300978796 /nfs/dbraw/zinc/97/87/96/1300978796.db2.gz ATWPNFHTJPOYMN-BHEFUSTPSA-N 1 0 331.416 2.941 10 5 EFBERO CN(CC1C[NH+](C)C1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855640917 1301043297 /nfs/dbraw/zinc/04/32/97/1301043297.db2.gz GSDRZTNWYLCFTM-UHFFFAOYSA-N 1 0 332.187 2.535 10 5 EFBERO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000861344940 1302087033 /nfs/dbraw/zinc/08/70/33/1302087033.db2.gz WGQHZPSLNZMSRP-CXAGYDPISA-N 1 0 348.355 2.607 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861807861 1302209968 /nfs/dbraw/zinc/20/99/68/1302209968.db2.gz GLRHYCHWXMGMRB-GUYCJALGSA-N 1 0 325.368 2.524 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862792610 1302461079 /nfs/dbraw/zinc/46/10/79/1302461079.db2.gz AXDSQFBCQYPRRP-SYCZXOQXSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863033176 1302529336 /nfs/dbraw/zinc/52/93/36/1302529336.db2.gz SUNAYUHEKXTSQV-ZDUSSCGKSA-N 1 0 335.379 2.789 10 5 EFBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000864091231 1302773133 /nfs/dbraw/zinc/77/31/33/1302773133.db2.gz QZIRQWRLFWVOAM-IYBDPMFKSA-N 1 0 328.372 2.528 10 5 EFBERO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H](CC(F)(F)F)C1 ZINC000794645873 1302849562 /nfs/dbraw/zinc/84/95/62/1302849562.db2.gz PZQJBNBSQFLUPR-SECBINFHSA-N 1 0 345.277 2.735 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865579705 1303318774 /nfs/dbraw/zinc/31/87/74/1303318774.db2.gz CQXUMWPWXIAULV-CHWSQXEVSA-N 1 0 337.395 2.656 10 5 EFBERO Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000866257703 1303582517 /nfs/dbraw/zinc/58/25/17/1303582517.db2.gz HOZYPSGNYZMFCL-UHFFFAOYSA-N 1 0 337.395 2.591 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000866261664 1303585380 /nfs/dbraw/zinc/58/53/80/1303585380.db2.gz XXYQHIMDHNUGLD-UHFFFAOYSA-N 1 0 337.468 2.924 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(F)c1 ZINC000866474469 1303655243 /nfs/dbraw/zinc/65/52/43/1303655243.db2.gz PMBCMPPATXKTPX-NSHDSACASA-N 1 0 332.335 2.636 10 5 EFBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866533400 1303675839 /nfs/dbraw/zinc/67/58/39/1303675839.db2.gz IGZDTHQQOALHIF-XJKSGUPXSA-N 1 0 332.400 2.757 10 5 EFBERO Cc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000867996336 1304067147 /nfs/dbraw/zinc/06/71/47/1304067147.db2.gz YBPUZPPCBOYIIC-MRXNPFEDSA-N 1 0 325.368 2.754 10 5 EFBERO Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000868220738 1304194385 /nfs/dbraw/zinc/19/43/85/1304194385.db2.gz QAELSOFJIBRDMC-UHFFFAOYSA-N 1 0 334.420 2.577 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868392855 1304273224 /nfs/dbraw/zinc/27/32/24/1304273224.db2.gz DAQQMCGTUWQOIR-MRXNPFEDSA-N 1 0 348.447 2.680 10 5 EFBERO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000868758106 1304457982 /nfs/dbraw/zinc/45/79/82/1304457982.db2.gz LVNKCDRKTJDNQJ-CQSZACIVSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000869055749 1304593716 /nfs/dbraw/zinc/59/37/16/1304593716.db2.gz WQLRXUDGQXDKIB-HOCLYGCPSA-N 1 0 346.431 2.671 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000870567941 1305402413 /nfs/dbraw/zinc/40/24/13/1305402413.db2.gz VBYBGQBTRPWNOC-MRXNPFEDSA-N 1 0 336.388 2.687 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000870568766 1305403721 /nfs/dbraw/zinc/40/37/21/1305403721.db2.gz JVXZJGYLMYTPJB-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC000871150095 1305837511 /nfs/dbraw/zinc/83/75/11/1305837511.db2.gz KPOOEVFODFDAIW-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000871152113 1305841200 /nfs/dbraw/zinc/84/12/00/1305841200.db2.gz NYDHIRSXDVEYFN-UHFFFAOYSA-N 1 0 337.445 2.873 10 5 EFBERO C[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871155259 1305846702 /nfs/dbraw/zinc/84/67/02/1305846702.db2.gz SHANXNAJBSRCIU-UHFFFAOYSA-N 1 0 325.796 2.805 10 5 EFBERO COc1ccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000871355299 1306016841 /nfs/dbraw/zinc/01/68/41/1306016841.db2.gz DUVVGVCLXUKLRI-UHFFFAOYSA-N 1 0 335.404 2.596 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752387530 1311154122 /nfs/dbraw/zinc/15/41/22/1311154122.db2.gz GSLYKWYLLXTNGB-HECSCLNYSA-N 1 0 331.416 2.989 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752387529 1311154435 /nfs/dbraw/zinc/15/44/35/1311154435.db2.gz GSLYKWYLLXTNGB-GRNBYLDVSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802140929 1311388854 /nfs/dbraw/zinc/38/88/54/1311388854.db2.gz OCKFMTZSXONNPK-IDKBZEPQSA-N 1 0 348.399 2.651 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001159143243 1311459400 /nfs/dbraw/zinc/45/94/00/1311459400.db2.gz YQPJWEZHDHOLPQ-DOTOQJQBSA-N 1 0 346.431 2.633 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001160521836 1311726887 /nfs/dbraw/zinc/72/68/87/1311726887.db2.gz IPLDOSHEXOWKOR-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001162004199 1312026876 /nfs/dbraw/zinc/02/68/76/1312026876.db2.gz GBWRVBVGBBKMPI-AWEZNQCLSA-N 1 0 349.431 2.987 10 5 EFBERO O=C(NCC[N@H+](CCC1CC1)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277375633 1312077266 /nfs/dbraw/zinc/07/72/66/1312077266.db2.gz GFMYNYPHJKSJDC-IAGOWNOFSA-N 1 0 337.464 2.593 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001162597740 1312132601 /nfs/dbraw/zinc/13/26/01/1312132601.db2.gz KDDFIVSYARHARD-FZMZJTMJSA-N 1 0 335.433 2.885 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)cc1 ZINC000902952318 1312236128 /nfs/dbraw/zinc/23/61/28/1312236128.db2.gz XAZYETUXOSXQAS-BTTYYORXSA-N 1 0 338.429 2.537 10 5 EFBERO C[NH+](C)Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001163350110 1312294760 /nfs/dbraw/zinc/29/47/60/1312294760.db2.gz FQHMJOFEPKSKHY-UHFFFAOYSA-N 1 0 349.337 2.865 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1[N+](=O)[O-] ZINC001163545857 1312334288 /nfs/dbraw/zinc/33/42/88/1312334288.db2.gz UROSURIFKOBPKB-SNVBAGLBSA-N 1 0 328.210 2.888 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC001163885048 1312402179 /nfs/dbraw/zinc/40/21/79/1312402179.db2.gz OJHONGDQNNQNIW-XQQFMLRXSA-N 1 0 337.395 2.779 10 5 EFBERO CN1C[C@@H](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903215171 1312469678 /nfs/dbraw/zinc/46/96/78/1312469678.db2.gz ZEFPMUHDUJQXDA-BLLLJJGKSA-N 1 0 331.416 2.775 10 5 EFBERO CN1C[C@@H](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903215172 1312469843 /nfs/dbraw/zinc/46/98/43/1312469843.db2.gz ZEFPMUHDUJQXDA-LRDDRELGSA-N 1 0 331.416 2.775 10 5 EFBERO CN1C[C@H](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000903215173 1312469935 /nfs/dbraw/zinc/46/99/35/1312469935.db2.gz ZEFPMUHDUJQXDA-MLGOLLRUSA-N 1 0 331.416 2.775 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001164322776 1312492195 /nfs/dbraw/zinc/49/21/95/1312492195.db2.gz SICYVOCMNMFAJU-OAHLLOKOSA-N 1 0 344.415 2.646 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000903353741 1312591891 /nfs/dbraw/zinc/59/18/91/1312591891.db2.gz NXGHRFUWBZCKCL-CQSZACIVSA-N 1 0 334.416 2.876 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000903357361 1312595424 /nfs/dbraw/zinc/59/54/24/1312595424.db2.gz LQXKJIGGZMJKQS-SUMWQHHRSA-N 1 0 338.404 2.838 10 5 EFBERO O=C(CCC(F)F)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001263838418 1316567575 /nfs/dbraw/zinc/56/75/75/1316567575.db2.gz MKAXMUYSQFCDSV-BETUJISGSA-N 1 0 341.358 2.625 10 5 EFBERO CC(C)OCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001318627847 1328656449 /nfs/dbraw/zinc/65/64/49/1328656449.db2.gz ZCRSYDCOBDYTGB-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO O=C(CCCF)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001318645328 1328660196 /nfs/dbraw/zinc/66/01/96/1328660196.db2.gz VGJXYCYPNDJRRE-UHFFFAOYSA-N 1 0 343.424 2.925 10 5 EFBERO O=C(CCC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265472493 1316810532 /nfs/dbraw/zinc/81/05/32/1316810532.db2.gz SYDKGWURPHBBJZ-HAQNSBGRSA-N 1 0 345.321 2.674 10 5 EFBERO CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265721090 1316866923 /nfs/dbraw/zinc/86/69/23/1316866923.db2.gz AWERKCTUVNTBQF-ZSHCYNCHSA-N 1 0 331.416 2.577 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1=CCCC1 ZINC001280474891 1317579241 /nfs/dbraw/zinc/57/92/41/1317579241.db2.gz GTHIZIQGRJGXCX-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO Cc1c[nH]cc1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001280884323 1317875739 /nfs/dbraw/zinc/87/57/39/1317875739.db2.gz ZJEPDSJWHYUASU-UHFFFAOYSA-N 1 0 344.415 2.825 10 5 EFBERO CC/C=C(/C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316614424 1318591569 /nfs/dbraw/zinc/59/15/69/1318591569.db2.gz XMFLODDIWBUABB-SKZVUCBASA-N 1 0 337.445 2.997 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC001288872413 1321783960 /nfs/dbraw/zinc/78/39/60/1321783960.db2.gz PKUQSOKCYLLUHJ-UHFFFAOYSA-N 1 0 334.763 2.639 10 5 EFBERO CC[NH+]1CCC(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001292005947 1322028700 /nfs/dbraw/zinc/02/87/00/1322028700.db2.gz FRBDNAOKAHHJFT-UHFFFAOYSA-N 1 0 325.796 2.710 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001293606903 1322297983 /nfs/dbraw/zinc/29/79/83/1322297983.db2.gz ORGVPEODBFEXDD-CQSZACIVSA-N 1 0 349.406 2.990 10 5 EFBERO O=C(CC[N@@H+]1CC[C@H](F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001294691485 1322543466 /nfs/dbraw/zinc/54/34/66/1322543466.db2.gz WGAUUESBMCMQQB-AWEZNQCLSA-N 1 0 335.379 2.520 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001307233732 1323296211 /nfs/dbraw/zinc/29/62/11/1323296211.db2.gz HNQKOSLFCXGZQY-CYBMUJFWSA-N 1 0 346.431 2.979 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001298169703 1323452329 /nfs/dbraw/zinc/45/23/29/1323452329.db2.gz GQWUQNVBKWTSCD-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001299821860 1323709071 /nfs/dbraw/zinc/70/90/71/1323709071.db2.gz MESACNNASQYALK-KBPBESRZSA-N 1 0 339.823 2.636 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043838 1324634220 /nfs/dbraw/zinc/63/42/20/1324634220.db2.gz ZQYPBTCJARMAOE-ABAIWWIYSA-N 1 0 337.395 2.684 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCC[C@@H]1C ZINC001306983864 1324736868 /nfs/dbraw/zinc/73/68/68/1324736868.db2.gz QLOQHTUQCQPYKC-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO C[C@@H](O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001307454385 1324769493 /nfs/dbraw/zinc/76/94/93/1324769493.db2.gz SKZOVLSHEPTBGA-WDEREUQCSA-N 1 0 347.337 2.505 10 5 EFBERO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)c(F)c1 ZINC001307645146 1324776227 /nfs/dbraw/zinc/77/62/27/1324776227.db2.gz WDPJDTJQFCANKL-MRXNPFEDSA-N 1 0 333.363 2.945 10 5 EFBERO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307689059 1324777011 /nfs/dbraw/zinc/77/70/11/1324777011.db2.gz VKNVJPNXXSKSRJ-JMSVASOKSA-N 1 0 346.387 2.626 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001308108786 1324794388 /nfs/dbraw/zinc/79/43/88/1324794388.db2.gz LTRCDQJJXLPAKT-XJKSGUPXSA-N 1 0 349.431 2.761 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001308108781 1324794746 /nfs/dbraw/zinc/79/47/46/1324794746.db2.gz LTRCDQJJXLPAKT-BBRMVZONSA-N 1 0 349.431 2.761 10 5 EFBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC23CCCCCC3)c1 ZINC001308160376 1324797326 /nfs/dbraw/zinc/79/73/26/1324797326.db2.gz JETRSGWTRWBERM-INIZCTEOSA-N 1 0 336.436 2.731 10 5 EFBERO CCN(CCNC(=O)c1cc[nH]c1C)Cc1csc([N+](=O)[O-])c1 ZINC001317476686 1324858797 /nfs/dbraw/zinc/85/87/97/1324858797.db2.gz YYUMMPCSVOVKCA-UHFFFAOYSA-N 1 0 336.417 2.545 10 5 EFBERO Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001313155923 1325007247 /nfs/dbraw/zinc/00/72/47/1325007247.db2.gz MGDUWXFOXTUCLS-UHFFFAOYSA-N 1 0 348.447 2.824 10 5 EFBERO CC[N@H+](CCCNC(=O)c1conc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316901400 1325303813 /nfs/dbraw/zinc/30/38/13/1325303813.db2.gz IXSIUYBHHWVTKW-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001320821323 1329306694 /nfs/dbraw/zinc/30/66/94/1329306694.db2.gz SIIRMVKHAZCHNT-WDNDVIMCSA-N 1 0 337.445 2.641 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001321044818 1329336166 /nfs/dbraw/zinc/33/61/66/1329336166.db2.gz MMMSTMXJRHRUNG-WAYWQWQTSA-N 1 0 331.416 2.793 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(F)CCCC1 ZINC001321123889 1329346106 /nfs/dbraw/zinc/34/61/06/1329346106.db2.gz CKZAUMNWBCSISS-AATRIKPKSA-N 1 0 335.379 2.639 10 5 EFBERO CCC1(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001321198685 1329355688 /nfs/dbraw/zinc/35/56/88/1329355688.db2.gz AJLHNQRIZFMEKX-ONEGZZNKSA-N 1 0 331.416 2.937 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)o1 ZINC001317568062 1328151202 /nfs/dbraw/zinc/15/12/02/1328151202.db2.gz ZUTPOEJDDDQSDF-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001322680103 1329478828 /nfs/dbraw/zinc/47/88/28/1329478828.db2.gz DPOSKUAWVGHQLR-KBPBESRZSA-N 1 0 335.404 2.596 10 5 EFBERO CCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001323521237 1329549164 /nfs/dbraw/zinc/54/91/64/1329549164.db2.gz ZDPRWYCNORXCQT-UHFFFAOYSA-N 1 0 331.416 2.914 10 5 EFBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC001329760162 1330734111 /nfs/dbraw/zinc/73/41/11/1330734111.db2.gz UHCUOMULYBVKIT-OAHLLOKOSA-N 1 0 342.399 2.872 10 5 EFBERO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1C[NH+]2CCC1CC2 ZINC001331589289 1330856734 /nfs/dbraw/zinc/85/67/34/1330856734.db2.gz VCRASNZSWBPQLS-SFHVURJKSA-N 1 0 339.395 2.914 10 5 EFBERO CC1CC[NH+](CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001332745186 1331015030 /nfs/dbraw/zinc/01/50/30/1331015030.db2.gz QUCUCCKGEJLUAD-UHFFFAOYSA-N 1 0 337.395 2.515 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)n1 ZINC001333037861 1331070612 /nfs/dbraw/zinc/07/06/12/1331070612.db2.gz PTMZKFNDEDNFFX-HNNXBMFYSA-N 1 0 334.420 2.920 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001339664937 1331926061 /nfs/dbraw/zinc/92/60/61/1331926061.db2.gz XKENOIPVQHFQTO-HNNXBMFYSA-N 1 0 331.416 2.958 10 5 EFBERO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC001344876630 1332490589 /nfs/dbraw/zinc/49/05/89/1332490589.db2.gz YVNSSPBBQWUJPF-HNNXBMFYSA-N 1 0 332.404 2.995 10 5 EFBERO CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC001345746433 1332570594 /nfs/dbraw/zinc/57/05/94/1332570594.db2.gz ROUSXJPVGMEAHL-LBPRGKRZSA-N 1 0 336.392 2.551 10 5 EFBERO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001345885661 1332581324 /nfs/dbraw/zinc/58/13/24/1332581324.db2.gz VBVBYMDHGAOBFH-CYBMUJFWSA-N 1 0 348.403 2.696 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001346868031 1332698699 /nfs/dbraw/zinc/69/86/99/1332698699.db2.gz KREWIQJLXBBPFU-QIRAZROLSA-N 1 0 339.342 2.945 10 5 EFBERO C[C@H](CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccccc1[N+](=O)[O-] ZINC001347446339 1332746174 /nfs/dbraw/zinc/74/61/74/1332746174.db2.gz ULLNKTHXCUVYLP-FPCVCCKLSA-N 1 0 345.443 2.935 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001347662485 1332764467 /nfs/dbraw/zinc/76/44/67/1332764467.db2.gz WXCIVLZBIZPZFU-CYBMUJFWSA-N 1 0 336.436 2.511 10 5 EFBERO C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001348349866 1332827907 /nfs/dbraw/zinc/82/79/07/1332827907.db2.gz TXPGWRMILMLVHI-ZDUSSCGKSA-N 1 0 349.406 2.752 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001350079246 1333032978 /nfs/dbraw/zinc/03/29/78/1333032978.db2.gz VDVJIAHDDXJVFH-MRXNPFEDSA-N 1 0 342.342 2.990 10 5 EFBERO CC(C)(NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc([N+](=O)[O-])cc1 ZINC001350590240 1333100761 /nfs/dbraw/zinc/10/07/61/1333100761.db2.gz UTIVHZUXYKZGNI-ZBFHGGJFSA-N 1 0 331.416 2.963 10 5 EFBERO C[C@@H]1CCC[N@H+](CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001351261709 1333203298 /nfs/dbraw/zinc/20/32/98/1333203298.db2.gz SPBCVFRNOISTAC-CYBMUJFWSA-N 1 0 337.395 2.515 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000847102549 1333324684 /nfs/dbraw/zinc/32/46/84/1333324684.db2.gz VJXHLDNTTYAPJE-JGZJWPJOSA-N 1 0 326.784 2.710 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC001352035755 1333361475 /nfs/dbraw/zinc/36/14/75/1333361475.db2.gz TVBKJCGITXIWLP-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO CC(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001352097209 1333385151 /nfs/dbraw/zinc/38/51/51/1333385151.db2.gz BJQWKKNPGPQINK-HRCADAONSA-N 1 0 331.416 2.964 10 5 EFBERO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001352970307 1333837887 /nfs/dbraw/zinc/83/78/87/1333837887.db2.gz QFQWUVOHABHMPE-LBPRGKRZSA-N 1 0 335.379 2.823 10 5 EFBERO CC(C)([C@@H](NCC[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001354584225 1334389292 /nfs/dbraw/zinc/38/92/92/1334389292.db2.gz LEEMIHNHAFHGPW-HNNXBMFYSA-N 1 0 327.375 2.747 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000848369162 1334697752 /nfs/dbraw/zinc/69/77/52/1334697752.db2.gz CMYOILHYICKBQN-QBOMHBFWSA-N 1 0 331.416 2.987 10 5 EFBERO CC[N@H+](CC1CCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848486631 1334743516 /nfs/dbraw/zinc/74/35/16/1334743516.db2.gz HVUINGXCEMHQGH-QGZVFWFLSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@@H]1C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H](C)[C@H]1C ZINC000848489099 1334745722 /nfs/dbraw/zinc/74/57/22/1334745722.db2.gz PZYBNLSACXAENN-XJIUQZFPSA-N 1 0 331.416 2.845 10 5 EFBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001355880593 1334896904 /nfs/dbraw/zinc/89/69/04/1334896904.db2.gz DOPXEFDIKYYKPO-AWEZNQCLSA-N 1 0 340.383 2.558 10 5 EFBERO CN(C)c1cc(F)c(C(=O)Nc2cccc3nccn32)cc1[N+](=O)[O-] ZINC001360225169 1335937214 /nfs/dbraw/zinc/93/72/14/1335937214.db2.gz OENLMZZFKHKAOI-UHFFFAOYSA-N 1 0 343.318 2.700 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccc(C)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC001492913011 1363812395 /nfs/dbraw/zinc/81/23/95/1363812395.db2.gz AYYOYBFEZHFJAT-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001438064019 1388340882 /nfs/dbraw/zinc/34/08/82/1388340882.db2.gz VMZIWWDQDBHSQK-HZPDHXFCSA-N 1 0 345.443 2.553 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456758588 1394794216 /nfs/dbraw/zinc/79/42/16/1394794216.db2.gz LTDGSFRUKTUNML-RDJZCZTQSA-N 1 0 345.443 2.622 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001457038734 1394935584 /nfs/dbraw/zinc/93/55/84/1394935584.db2.gz NLFAKETUQFQWHZ-WDEREUQCSA-N 1 0 325.796 2.851 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001458071691 1395402254 /nfs/dbraw/zinc/40/22/54/1395402254.db2.gz FDFDFNHZGRGVBB-UHFFFAOYSA-N 1 0 329.404 2.926 10 5 EFBERO C[C@@H]1CCC[N@H+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001458114413 1395409508 /nfs/dbraw/zinc/40/95/08/1395409508.db2.gz SYHUGWQFCBWPJS-GFCCVEGCSA-N 1 0 326.828 2.989 10 5 EFBERO CCC[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC001458278081 1395437603 /nfs/dbraw/zinc/43/76/03/1395437603.db2.gz OZIJEHRBDYXNCW-INIZCTEOSA-N 1 0 343.431 2.819 10 5 EFBERO CCO[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC001458593303 1395515272 /nfs/dbraw/zinc/51/52/72/1395515272.db2.gz LQPRNRFOSSLDGF-NSHDSACASA-N 1 0 346.225 2.736 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001458716509 1395560972 /nfs/dbraw/zinc/56/09/72/1395560972.db2.gz ISXHJAIULYYJOF-JTQLQIEISA-N 1 0 328.210 2.888 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC001460621020 1396238147 /nfs/dbraw/zinc/23/81/47/1396238147.db2.gz UGBAHEOOHNQJIX-CQSZACIVSA-N 1 0 342.399 2.549 10 5 EFBERO C[C@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001460619687 1396239150 /nfs/dbraw/zinc/23/91/50/1396239150.db2.gz IXFQAYUNHBSYKV-MRXNPFEDSA-N 1 0 349.318 2.639 10 5 EFBERO C[N@@H+]1C[C@@]23CN(CCOc4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001460975039 1396276710 /nfs/dbraw/zinc/27/67/10/1396276710.db2.gz NIXLQLFCUITREH-KDURUIRLSA-N 1 0 345.443 2.781 10 5 EFBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001461755275 1396402505 /nfs/dbraw/zinc/40/25/05/1396402505.db2.gz LUODFWFIDIXQOL-UHFFFAOYSA-N 1 0 325.384 2.893 10 5 EFBERO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001463726423 1396515723 /nfs/dbraw/zinc/51/57/23/1396515723.db2.gz VUHXYPLQBKHSNK-UHFFFAOYSA-N 1 0 334.420 2.561 10 5 EFBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464011307 1396537785 /nfs/dbraw/zinc/53/77/85/1396537785.db2.gz HGWBPHAWGGTGLU-UHFFFAOYSA-N 1 0 336.436 2.617 10 5 EFBERO CCCC[N@H+](C)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001464999335 1396639202 /nfs/dbraw/zinc/63/92/02/1396639202.db2.gz YNFAARINGRIGST-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001465296348 1396667832 /nfs/dbraw/zinc/66/78/32/1396667832.db2.gz LLCLVVVUANLNFD-CYBMUJFWSA-N 1 0 335.379 2.600 10 5 EFBERO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473439282 1397301942 /nfs/dbraw/zinc/30/19/42/1397301942.db2.gz BQEYCKVAONSFJZ-CHWSQXEVSA-N 1 0 346.387 2.770 10 5 EFBERO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001473784567 1397331803 /nfs/dbraw/zinc/33/18/03/1397331803.db2.gz AVEPTCBKAHAOLV-LBPRGKRZSA-N 1 0 339.351 2.542 10 5 EFBERO C[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473786730 1397331927 /nfs/dbraw/zinc/33/19/27/1397331927.db2.gz JKVPCWPIGSFNHE-ZDUSSCGKSA-N 1 0 347.415 2.597 10 5 EFBERO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001473785529 1397331961 /nfs/dbraw/zinc/33/19/61/1397331961.db2.gz ZVVPWLPCSSTEEE-GFCCVEGCSA-N 1 0 331.347 2.701 10 5 EFBERO O=C(CC[NH2+]C1([C@@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001473890103 1397345711 /nfs/dbraw/zinc/34/57/11/1397345711.db2.gz STRKDHHBCPTEFQ-HNNXBMFYSA-N 1 0 333.388 2.615 10 5 EFBERO CC(F)(F)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001479392593 1397712968 /nfs/dbraw/zinc/71/29/68/1397712968.db2.gz DGBCFYUARMWZHR-AULYBMBSSA-N 1 0 341.358 2.625 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])co1 ZINC001479767753 1397829945 /nfs/dbraw/zinc/82/99/45/1397829945.db2.gz MVWVGMQVUZVDDJ-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CC(C)(F)C(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001479862453 1397967824 /nfs/dbraw/zinc/96/78/24/1397967824.db2.gz MOTGKTXGDZINQM-UHFFFAOYSA-N 1 0 337.395 2.814 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1cccs1 ZINC001493461425 1398720402 /nfs/dbraw/zinc/72/04/02/1398720402.db2.gz PEELZIJZBFHYDX-UHFFFAOYSA-N 1 0 339.442 2.509 10 5 EFBERO C[N@H+](CCC1=CCCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494194816 1399201889 /nfs/dbraw/zinc/20/18/89/1399201889.db2.gz CFQDOXZGEJJKHR-QZTJIDSGSA-N 1 0 349.475 2.713 10 5 EFBERO CC(C)OCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001495135684 1399691831 /nfs/dbraw/zinc/69/18/31/1399691831.db2.gz SDTJIAVAPAPJEO-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccs1 ZINC001496653580 1400902301 /nfs/dbraw/zinc/90/23/01/1400902301.db2.gz RAXZGHIIMMHKFD-UHFFFAOYSA-N 1 0 347.440 2.789 10 5 EFBERO CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507788819 1407159209 /nfs/dbraw/zinc/15/92/09/1407159209.db2.gz WLKRPJLQPUBBBM-IAGOWNOFSA-N 1 0 337.464 2.711 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC001497530768 1401438513 /nfs/dbraw/zinc/43/85/13/1401438513.db2.gz PRABXKIAXIPBLK-UPHRSURJSA-N 1 0 349.774 2.917 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001497576861 1401467230 /nfs/dbraw/zinc/46/72/30/1401467230.db2.gz VMWHJNDTEKNXIT-ONEGZZNKSA-N 1 0 331.416 2.793 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC001497612290 1401494145 /nfs/dbraw/zinc/49/41/45/1401494145.db2.gz SQPCDAPSTUZVEW-UPHRSURJSA-N 1 0 343.427 2.937 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC001498509304 1402152899 /nfs/dbraw/zinc/15/28/99/1402152899.db2.gz CBCQCWRBAXWVCA-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO O=C(C=C1CCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001501936961 1403890374 /nfs/dbraw/zinc/89/03/74/1403890374.db2.gz AOKONSKNDLFADI-UHFFFAOYSA-N 1 0 329.400 2.834 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1Cl ZINC001557984072 1415154014 /nfs/dbraw/zinc/15/40/14/1415154014.db2.gz GLQMTJIHJQHTTG-OAHLLOKOSA-N 1 0 339.823 2.969 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001558504351 1415183548 /nfs/dbraw/zinc/18/35/48/1415183548.db2.gz XOOMYUYNTIRABD-FZMZJTMJSA-N 1 0 337.445 2.532 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001558504350 1415183869 /nfs/dbraw/zinc/18/38/69/1415183869.db2.gz XOOMYUYNTIRABD-BXUZGUMPSA-N 1 0 337.445 2.532 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001558504353 1415183924 /nfs/dbraw/zinc/18/39/24/1415183924.db2.gz XOOMYUYNTIRABD-SMDDNHRTSA-N 1 0 337.445 2.532 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001558525245 1415185469 /nfs/dbraw/zinc/18/54/69/1415185469.db2.gz HNMIPIVPCKZLMN-ZDUSSCGKSA-N 1 0 325.796 2.708 10 5 EFBERO O=[N+]([O-])c1cc(F)c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c(F)c1 ZINC001559266048 1415234584 /nfs/dbraw/zinc/23/45/84/1415234584.db2.gz MWJPZXHSOWDCTB-ZDUSSCGKSA-N 1 0 333.338 2.894 10 5 EFBERO CC[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC001559656260 1415253246 /nfs/dbraw/zinc/25/32/46/1415253246.db2.gz MCGZGDPOZVVMBS-NSHDSACASA-N 1 0 342.237 2.883 10 5 EFBERO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CCO ZINC001559982588 1415260405 /nfs/dbraw/zinc/26/04/05/1415260405.db2.gz SEPLNTYSMAMQJC-TZMCWYRMSA-N 1 0 346.387 2.628 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC001560125172 1415265053 /nfs/dbraw/zinc/26/50/53/1415265053.db2.gz RTUFTDZKPRAOSM-MAEOIBBWSA-N 1 0 328.368 2.613 10 5 EFBERO COC(=O)C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001560172993 1415265449 /nfs/dbraw/zinc/26/54/49/1415265449.db2.gz PMLUVMQJPNJXKL-HNNXBMFYSA-N 1 0 338.404 2.931 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377017 1415376515 /nfs/dbraw/zinc/37/65/15/1415376515.db2.gz XSXLQLXAAKQAON-UAGQMJEPSA-N 1 0 346.431 2.782 10 5 EFBERO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001565610262 1415406976 /nfs/dbraw/zinc/40/69/76/1415406976.db2.gz QHJPJBFGNSAKPV-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001566383998 1415543981 /nfs/dbraw/zinc/54/39/81/1415543981.db2.gz FMBAEGMHLFUPHJ-PWSUYJOCSA-N 1 0 337.807 2.532 10 5 EFBERO C[N@H+](CCCNC(=O)C(C)(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001566484230 1415576844 /nfs/dbraw/zinc/57/68/44/1415576844.db2.gz WJMRQUOJRJTVPQ-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO C[N@H+](CCCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566489077 1415581349 /nfs/dbraw/zinc/58/13/49/1415581349.db2.gz OMLLQGBJKAIULU-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC(F)(F)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001566795373 1415778058 /nfs/dbraw/zinc/77/80/58/1415778058.db2.gz VKAHPDDKEASWIQ-JOCQHMNTSA-N 1 0 341.358 2.767 10 5 EFBERO CC(F)(F)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001566844125 1415797003 /nfs/dbraw/zinc/79/70/03/1415797003.db2.gz AETUVHQTRLBYJA-PHIMTYICSA-N 1 0 347.387 2.829 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001566974977 1415884609 /nfs/dbraw/zinc/88/46/09/1415884609.db2.gz BFDOILZEWJKHSY-HQPDBOPMSA-N 1 0 341.411 2.664 10 5 EFBERO CCn1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001567299972 1416062787 /nfs/dbraw/zinc/06/27/87/1416062787.db2.gz XCFFRICMOIYZLN-UHFFFAOYSA-N 1 0 344.415 2.586 10 5 EFBERO CC[N@H+](CCNC(=O)/C=C/c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567325315 1416073070 /nfs/dbraw/zinc/07/30/70/1416073070.db2.gz WCIONYUJOCOWEK-MDZDMXLPSA-N 1 0 343.383 2.839 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc[nH]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC001567423799 1416132719 /nfs/dbraw/zinc/13/27/19/1416132719.db2.gz ACIDKKXIXWSLDM-UHFFFAOYSA-N 1 0 344.415 2.873 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001567462086 1416148156 /nfs/dbraw/zinc/14/81/56/1416148156.db2.gz XAMVQOODOCZOES-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2occc2[nH]1 ZINC001567502333 1416163201 /nfs/dbraw/zinc/16/32/01/1416163201.db2.gz DSZCIXUZFTTWFO-UHFFFAOYSA-N 1 0 342.355 2.531 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001567518145 1416170933 /nfs/dbraw/zinc/17/09/33/1416170933.db2.gz XOMSYEQUNDIPHH-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001568403526 1416516781 /nfs/dbraw/zinc/51/67/81/1416516781.db2.gz MXNGYSIAQIWAJZ-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO CO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001646084918 1416611034 /nfs/dbraw/zinc/61/10/34/1416611034.db2.gz ILAWHOMPRUFCEN-UONOGXRCSA-N 1 0 344.371 2.692 10 5 EFBERO Cc1cc(Cl)c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001646288191 1416643479 /nfs/dbraw/zinc/64/34/79/1416643479.db2.gz CBJSPWMPJHDXAJ-LBPRGKRZSA-N 1 0 337.807 2.628 10 5 EFBERO C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001685165504 1416752703 /nfs/dbraw/zinc/75/27/03/1416752703.db2.gz BKOQTEPHMXOEHP-LBPRGKRZSA-N 1 0 343.387 2.616 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001685527317 1416766223 /nfs/dbraw/zinc/76/62/23/1416766223.db2.gz HBYREHAROADYKU-ZNMIVQPWSA-N 1 0 348.447 2.822 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001685527313 1416766573 /nfs/dbraw/zinc/76/65/73/1416766573.db2.gz HBYREHAROADYKU-KFWWJZLASA-N 1 0 348.447 2.822 10 5 EFBERO Cc1ccc(CC(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001689798006 1417067871 /nfs/dbraw/zinc/06/78/71/1417067871.db2.gz OOQSYIMHOZNYSS-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC[N@H+](CCCNC(=O)c1oncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001689963586 1417107993 /nfs/dbraw/zinc/10/79/93/1417107993.db2.gz QMTFNWIPCRBKFL-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)C1CCCC1 ZINC001700126784 1417576191 /nfs/dbraw/zinc/57/61/91/1417576191.db2.gz IXAZLWHYQAWIAI-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC(F)(F)C1 ZINC001714721899 1418614312 /nfs/dbraw/zinc/61/43/12/1418614312.db2.gz BBAJIXXFKFLHNM-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC001715856634 1418689710 /nfs/dbraw/zinc/68/97/10/1418689710.db2.gz GMDGMVLIYXXDBE-ARJAWSKDSA-N 1 0 343.427 2.937 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CCC1 ZINC001716234167 1418732437 /nfs/dbraw/zinc/73/24/37/1418732437.db2.gz SQASXIBEXIGBNP-UHFFFAOYSA-N 1 0 325.434 2.785 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(CF)CCC1 ZINC001716240425 1418734006 /nfs/dbraw/zinc/73/40/06/1418734006.db2.gz ALYBIYCZVRSISW-UHFFFAOYSA-N 1 0 343.424 2.734 10 5 EFBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001716287639 1418753066 /nfs/dbraw/zinc/75/30/66/1418753066.db2.gz UNQAXWVUUDDHTQ-SNAWJCMRSA-N 1 0 329.356 2.572 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CC2)CC1 ZINC001716307650 1418763433 /nfs/dbraw/zinc/76/34/33/1418763433.db2.gz URAONAXISLSXHK-OWOJBTEDSA-N 1 0 329.400 2.547 10 5 EFBERO Cc1cccnc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001722998030 1424397518 /nfs/dbraw/zinc/39/75/18/1424397518.db2.gz DYTXBXYBOHNFIX-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(F)CCCC1 ZINC001723531734 1424519082 /nfs/dbraw/zinc/51/90/82/1424519082.db2.gz ORDIEXNTPPSFQO-UHFFFAOYSA-N 1 0 335.379 2.616 10 5 EFBERO Cc1coc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC001724798106 1425021022 /nfs/dbraw/zinc/02/10/22/1425021022.db2.gz TVJVGAUCMBAHMQ-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000804775760 713466673 /nfs/dbraw/zinc/46/66/73/713466673.db2.gz NHRYLMDPJADORP-AINHQSCGSA-N 1 0 331.416 2.989 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000804778080 713466909 /nfs/dbraw/zinc/46/69/09/713466909.db2.gz QNDKTZNMEDOURK-AINHQSCGSA-N 1 0 331.416 2.989 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000162137739 716696996 /nfs/dbraw/zinc/69/69/96/716696996.db2.gz HDBAFBWVTRCTEP-SNVBAGLBSA-N 1 0 329.194 2.874 10 5 EFBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC1(O)CCCC1 ZINC000162191098 716740059 /nfs/dbraw/zinc/74/00/59/716740059.db2.gz GJJNCSHKVYLVSV-UHFFFAOYSA-N 1 0 329.194 2.752 10 5 EFBERO CC[N@@H+]1CCC[C@H](Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255659721 717362209 /nfs/dbraw/zinc/36/22/09/717362209.db2.gz RJPJRPTVVGDKRU-KGXGESDWSA-N 1 0 333.388 2.677 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000311733855 718844066 /nfs/dbraw/zinc/84/40/66/718844066.db2.gz ROJLRTRLZTVYRD-JOYOIKCWSA-N 1 0 326.194 2.546 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000311733854 718844199 /nfs/dbraw/zinc/84/41/99/718844199.db2.gz ROJLRTRLZTVYRD-CABZTGNLSA-N 1 0 326.194 2.546 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893027158 719490913 /nfs/dbraw/zinc/49/09/13/719490913.db2.gz WADLIUPRDVBPLK-GOEBONIOSA-N 1 0 333.432 2.859 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000051994282 720669116 /nfs/dbraw/zinc/66/91/16/720669116.db2.gz GBPNNQUACHXBQL-FROQITRMSA-N 1 0 335.404 2.923 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261796979 721346686 /nfs/dbraw/zinc/34/66/86/721346686.db2.gz QODPARMPMAOSCB-INIZCTEOSA-N 1 0 332.791 2.790 10 5 EFBERO COC(=O)[C@@H]1[C@@H](C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894314694 722073185 /nfs/dbraw/zinc/07/31/85/722073185.db2.gz IREAATMMHDNIDR-KGLIPLIRSA-N 1 0 342.342 2.561 10 5 EFBERO COC(=O)[C@@H]1[C@H](C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894314594 722074029 /nfs/dbraw/zinc/07/40/29/722074029.db2.gz IREAATMMHDNIDR-KBPBESRZSA-N 1 0 342.342 2.561 10 5 EFBERO C[C@H]1[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435136 722862460 /nfs/dbraw/zinc/86/24/60/722862460.db2.gz RAKLCNAUDILTST-WRWORJQWSA-N 1 0 332.187 2.724 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]cn3)CC2)c1C ZINC000896885464 723568454 /nfs/dbraw/zinc/56/84/54/723568454.db2.gz RCYRPIPJURBLOT-UHFFFAOYSA-N 1 0 328.372 2.955 10 5 EFBERO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000727112430 723819810 /nfs/dbraw/zinc/81/98/10/723819810.db2.gz JLYCWCWUYTZOQU-UHFFFAOYSA-N 1 0 326.272 2.827 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000895345214 724053910 /nfs/dbraw/zinc/05/39/10/724053910.db2.gz PZYRROQNJVTUTB-OAHLLOKOSA-N 1 0 346.431 2.591 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000895677198 724248713 /nfs/dbraw/zinc/24/87/13/724248713.db2.gz HXKCPSIHHACYBB-SECBINFHSA-N 1 0 348.655 2.896 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000895696028 724267400 /nfs/dbraw/zinc/26/74/00/724267400.db2.gz MGRUWYLYOAQZMA-RVDMUPIBSA-N 1 0 332.400 2.880 10 5 EFBERO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC2(CCC2)C1 ZINC000895821909 724333003 /nfs/dbraw/zinc/33/30/03/724333003.db2.gz LJDZYDPWIPCFCV-XUJLQICISA-N 1 0 334.420 2.824 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000261621444 725809284 /nfs/dbraw/zinc/80/92/84/725809284.db2.gz AAYMVEFZZNXYMO-DMDPSCGWSA-N 1 0 340.221 2.526 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000913760142 725851163 /nfs/dbraw/zinc/85/11/63/725851163.db2.gz HGXJLPBISZDJMM-SKDRFNHKSA-N 1 0 341.770 2.554 10 5 EFBERO CC[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000907122827 726869555 /nfs/dbraw/zinc/86/95/55/726869555.db2.gz FTGSJTLPXPQBFO-GFCCVEGCSA-N 1 0 339.823 2.733 10 5 EFBERO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731678703 726916753 /nfs/dbraw/zinc/91/67/53/726916753.db2.gz OENYYYSQOOAJQB-INIZCTEOSA-N 1 0 331.328 2.635 10 5 EFBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1CC=CCC1 ZINC000907887414 727041913 /nfs/dbraw/zinc/04/19/13/727041913.db2.gz MUWUDTFVAZEMHP-UHFFFAOYSA-N 1 0 337.807 2.559 10 5 EFBERO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000732412549 727072608 /nfs/dbraw/zinc/07/26/08/727072608.db2.gz NQOSUVGKTNQGRA-CYBMUJFWSA-N 1 0 335.379 2.568 10 5 EFBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908127008 727105567 /nfs/dbraw/zinc/10/55/67/727105567.db2.gz VYIQPGJOXOLBGP-DOTOQJQBSA-N 1 0 331.416 2.613 10 5 EFBERO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000908436565 727186285 /nfs/dbraw/zinc/18/62/85/727186285.db2.gz SOZBJCNZOYQXEC-TXEJJXNPSA-N 1 0 339.823 2.732 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910285333 727427473 /nfs/dbraw/zinc/42/74/73/727427473.db2.gz XNHGYPVEVSVLGJ-OKFGHLOFSA-N 1 0 331.416 2.941 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000910285433 727427495 /nfs/dbraw/zinc/42/74/95/727427495.db2.gz BVMYDMMHZFGDCI-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911201299 727509724 /nfs/dbraw/zinc/50/97/24/727509724.db2.gz PFRZFMURGUTQSZ-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911471970 727543246 /nfs/dbraw/zinc/54/32/46/727543246.db2.gz AJSIURZMSBWLEF-BXUZGUMPSA-N 1 0 339.342 2.506 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000912030987 727637934 /nfs/dbraw/zinc/63/79/34/727637934.db2.gz KKMHQIDKXQLBPT-MRXNPFEDSA-N 1 0 349.431 2.796 10 5 EFBERO C[C@]1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912376614 727703281 /nfs/dbraw/zinc/70/32/81/727703281.db2.gz YVLVVHHOEAVFSI-HNNXBMFYSA-N 1 0 341.770 2.601 10 5 EFBERO C[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913280757 727810699 /nfs/dbraw/zinc/81/06/99/727810699.db2.gz GOHJBZJTDVMZIX-IGNZVWTISA-N 1 0 349.406 2.638 10 5 EFBERO C/C(=C\C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913281804 727814872 /nfs/dbraw/zinc/81/48/72/727814872.db2.gz SUBSOLLFTMOHOM-KHEBXBECSA-N 1 0 343.427 2.798 10 5 EFBERO CSc1cccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913281502 727814892 /nfs/dbraw/zinc/81/48/92/727814892.db2.gz QWIMBUXZRVHRCO-IRXDYDNUSA-N 1 0 349.456 2.731 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913281826 727814957 /nfs/dbraw/zinc/81/49/57/727814957.db2.gz CPGGQJDFTRHAMG-KDURUIRLSA-N 1 0 345.443 2.673 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913282876 727815352 /nfs/dbraw/zinc/81/53/52/727815352.db2.gz CZXXLLKGNFUZGO-OALUTQOASA-N 1 0 345.443 2.934 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000913390271 727827752 /nfs/dbraw/zinc/82/77/52/727827752.db2.gz OYFJSFGGXPSRGH-UHFFFAOYSA-N 1 0 347.415 2.500 10 5 EFBERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384701 727830463 /nfs/dbraw/zinc/83/04/63/727830463.db2.gz CEEKFXSSWSQICU-NXEZZACHSA-N 1 0 343.786 2.876 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913295 729765497 /nfs/dbraw/zinc/76/54/97/729765497.db2.gz LYJYPULTBLCVDZ-LHXVZLOVSA-N 1 0 333.388 2.676 10 5 EFBERO O=C(Cc1ccco1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001570121271 1085964082 /nfs/dbraw/zinc/96/40/82/1085964082.db2.gz WDOUSMCDXLLPQW-UHFFFAOYSA-N 1 0 349.412 2.621 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570196240 1086046696 /nfs/dbraw/zinc/04/66/96/1086046696.db2.gz CTKFTVQUOYTUTI-QZTJIDSGSA-N 1 0 345.443 2.510 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001570618666 1086411499 /nfs/dbraw/zinc/41/14/99/1086411499.db2.gz JPNDQPCEFFDJKC-CABCVRRESA-N 1 0 342.399 2.602 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001570619902 1086412772 /nfs/dbraw/zinc/41/27/72/1086412772.db2.gz WENMPBIESXXYGO-KGLIPLIRSA-N 1 0 339.823 2.636 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001570619903 1086412932 /nfs/dbraw/zinc/41/29/32/1086412932.db2.gz WENMPBIESXXYGO-UONOGXRCSA-N 1 0 339.823 2.636 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001570619439 1086413171 /nfs/dbraw/zinc/41/31/71/1086413171.db2.gz PKQXPENSDLIDGN-CABCVRRESA-N 1 0 333.432 2.717 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC001570667467 1086448235 /nfs/dbraw/zinc/44/82/35/1086448235.db2.gz JPUANFRMVAXKNL-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC001570899724 1086600254 /nfs/dbraw/zinc/60/02/54/1086600254.db2.gz CERWJTMSXBWODG-PHIMTYICSA-N 1 0 325.796 2.803 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001647836735 1089891467 /nfs/dbraw/zinc/89/14/67/1089891467.db2.gz OOGDNYOJFRBWFA-HOTGVXAUSA-N 1 0 345.443 2.861 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC001647837458 1089892368 /nfs/dbraw/zinc/89/23/68/1089892368.db2.gz VHWBFUWAYVDBGY-JKSUJKDBSA-N 1 0 343.383 2.944 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC001647837456 1089892866 /nfs/dbraw/zinc/89/28/66/1089892866.db2.gz VHWBFUWAYVDBGY-HOTGVXAUSA-N 1 0 343.383 2.944 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001647836736 1089892958 /nfs/dbraw/zinc/89/29/58/1089892958.db2.gz OOGDNYOJFRBWFA-HZPDHXFCSA-N 1 0 345.443 2.861 10 5 EFBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001647877864 1089903405 /nfs/dbraw/zinc/90/34/05/1089903405.db2.gz UVQPABYYHCIWAJ-HUUCEWRRSA-N 1 0 325.453 2.543 10 5 EFBERO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001648139293 1089949170 /nfs/dbraw/zinc/94/91/70/1089949170.db2.gz FOCMDWHUTAIFKS-GFCCVEGCSA-N 1 0 349.778 2.508 10 5 EFBERO CC(C)(C)OCCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001620538955 1090594750 /nfs/dbraw/zinc/59/47/50/1090594750.db2.gz PWNBABDGMBKSTN-UHFFFAOYSA-N 1 0 335.448 2.918 10 5 EFBERO Cc1cc(F)cc(C(=O)NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001584524024 1092188285 /nfs/dbraw/zinc/18/82/85/1092188285.db2.gz PJIOBKSSNAWRSC-UHFFFAOYSA-N 1 0 328.303 2.620 10 5 EFBERO C[C@@]1(NCC[N+](=O)[O-])C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001648482238 1092221959 /nfs/dbraw/zinc/22/19/59/1092221959.db2.gz YFTGPVLVUMZVLL-VQTJNVASSA-N 1 0 339.439 2.911 10 5 EFBERO C[C@@H](Cc1cccnc1)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001648583976 1092234410 /nfs/dbraw/zinc/23/44/10/1092234410.db2.gz YGOXQUXHXMAMSU-LBPRGKRZSA-N 1 0 339.355 2.761 10 5 EFBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648591954 1092237168 /nfs/dbraw/zinc/23/71/68/1092237168.db2.gz SWDJBOYQUCYZBC-GBESFXJTSA-N 1 0 347.459 2.823 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001648634704 1092243164 /nfs/dbraw/zinc/24/31/64/1092243164.db2.gz JIODEFFRSJFTGP-OALUTQOASA-N 1 0 342.395 2.612 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891551 1092611801 /nfs/dbraw/zinc/61/18/01/1092611801.db2.gz NKKOQKFFMIUUNW-VKFONMJVSA-N 1 0 329.400 2.597 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891550 1092612101 /nfs/dbraw/zinc/61/21/01/1092612101.db2.gz NKKOQKFFMIUUNW-PDTSHOSPSA-N 1 0 329.400 2.597 10 5 EFBERO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001587795277 1092854019 /nfs/dbraw/zinc/85/40/19/1092854019.db2.gz DKFIFTNBZYPCLD-QGZVFWFLSA-N 1 0 339.395 2.908 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001587990219 1092879446 /nfs/dbraw/zinc/87/94/46/1092879446.db2.gz KSVQTKBRFVZSBR-KGLIPLIRSA-N 1 0 347.415 2.550 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001650951381 1093512523 /nfs/dbraw/zinc/51/25/23/1093512523.db2.gz BOAQKULBBHBBFW-UHFFFAOYSA-N 1 0 335.379 2.743 10 5 EFBERO CC[NH+]1CCN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC001651285465 1093549232 /nfs/dbraw/zinc/54/92/32/1093549232.db2.gz AYHMEGFDTAQIBW-UHFFFAOYSA-N 1 0 344.419 2.522 10 5 EFBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267460800 1094577952 /nfs/dbraw/zinc/57/79/52/1094577952.db2.gz SCUGVOPVBQTOHI-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO C/C(=C/C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785226863 1094666329 /nfs/dbraw/zinc/66/63/29/1094666329.db2.gz YONHYJJNVMTHNC-ZSMUJPCHSA-N 1 0 331.416 2.989 10 5 EFBERO C/C(=C/C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785226816 1094666953 /nfs/dbraw/zinc/66/69/53/1094666953.db2.gz YONHYJJNVMTHNC-IKESIWSLSA-N 1 0 331.416 2.989 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 ZINC001268230097 1096139717 /nfs/dbraw/zinc/13/97/17/1096139717.db2.gz LAPWJDPTECZJJP-UHFFFAOYSA-N 1 0 333.413 2.860 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccco1 ZINC001268428456 1096586130 /nfs/dbraw/zinc/58/61/30/1096586130.db2.gz GNKIRNBALBRTGB-MDZDMXLPSA-N 1 0 343.383 2.839 10 5 EFBERO CC/C=C(/C)C(=O)N(CC)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001268441088 1096598947 /nfs/dbraw/zinc/59/89/47/1096598947.db2.gz ZALYXYTZQGCGFQ-SDQBBNPISA-N 1 0 325.434 2.951 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC2(CC2)C1 ZINC001268477695 1096884676 /nfs/dbraw/zinc/88/46/76/1096884676.db2.gz JGMMNQFANUTGBM-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cc[nH]c1 ZINC001481897781 1096889197 /nfs/dbraw/zinc/88/91/97/1096889197.db2.gz CFRWRSREYQDVIX-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CCC2=CCCCC2)CC1 ZINC001481998388 1097065607 /nfs/dbraw/zinc/06/56/07/1097065607.db2.gz UTPQFKJCYYUNSS-QZTJIDSGSA-N 1 0 349.475 2.760 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)c[nH]1 ZINC001268512993 1097105956 /nfs/dbraw/zinc/10/59/56/1097105956.db2.gz QMGYFWKKABUYFU-ARJAWSKDSA-N 1 0 348.790 2.652 10 5 EFBERO C/C(=C/C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001268515371 1097116388 /nfs/dbraw/zinc/11/63/88/1097116388.db2.gz AVUMPLFWLSISJK-VGISUJEZSA-N 1 0 329.400 2.713 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001268580553 1097284435 /nfs/dbraw/zinc/28/44/35/1097284435.db2.gz PBYHZYHRRIVZDD-UPHRSURJSA-N 1 0 343.427 2.937 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001268590806 1097312456 /nfs/dbraw/zinc/31/24/56/1097312456.db2.gz OHKYZCHBLMXCJG-OWOJBTEDSA-N 1 0 329.400 2.547 10 5 EFBERO Cc1ccccc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269368747 1098089956 /nfs/dbraw/zinc/08/99/56/1098089956.db2.gz OEGOPDMDRAKUIY-UHFFFAOYSA-N 1 0 339.395 2.955 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1sccc1F ZINC001269407889 1098118092 /nfs/dbraw/zinc/11/80/92/1098118092.db2.gz SBMNJQIZIIZELB-UHFFFAOYSA-N 1 0 349.387 2.848 10 5 EFBERO O=C(NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1)C(F)F ZINC001267932726 1098731222 /nfs/dbraw/zinc/73/12/22/1098731222.db2.gz YGRAEMVLOUXBDS-UHFFFAOYSA-N 1 0 349.337 2.766 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001611165643 1098985831 /nfs/dbraw/zinc/98/58/31/1098985831.db2.gz QYGKZYXVGDHYGS-YOEHRIQHSA-N 1 0 333.432 2.887 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001611179005 1098987202 /nfs/dbraw/zinc/98/72/02/1098987202.db2.gz YEWJXHJZXUJVNU-ZDUSSCGKSA-N 1 0 339.823 2.780 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001611714721 1099030516 /nfs/dbraw/zinc/03/05/16/1099030516.db2.gz GUJITDZIKJRUHQ-JTQLQIEISA-N 1 0 341.795 2.931 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2c1 ZINC001612950159 1099084371 /nfs/dbraw/zinc/08/43/71/1099084371.db2.gz HHDXUDDCTBGRBC-QGZVFWFLSA-N 1 0 335.367 2.689 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCC2CC3)cc1OC(F)F ZINC001613060306 1099089652 /nfs/dbraw/zinc/08/96/52/1099089652.db2.gz NGKVBGOEJYBOLG-NSHDSACASA-N 1 0 327.331 2.950 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C1CC1)C1CC1 ZINC001481300771 1099131617 /nfs/dbraw/zinc/13/16/17/1099131617.db2.gz IIDWTZANFNYJQW-UHFFFAOYSA-N 1 0 331.416 2.579 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626223825 1099164245 /nfs/dbraw/zinc/16/42/45/1099164245.db2.gz SYVKANQKXHSTCX-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC001617104685 1099212793 /nfs/dbraw/zinc/21/27/93/1099212793.db2.gz WVCILNUGVYYSDN-JSGCOSHPSA-N 1 0 332.360 2.692 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001617464639 1099241093 /nfs/dbraw/zinc/24/10/93/1099241093.db2.gz HZYSDWGGKKMSDV-QZTJIDSGSA-N 1 0 334.416 2.797 10 5 EFBERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785267463 1099249484 /nfs/dbraw/zinc/24/94/84/1099249484.db2.gz RYMFTUYJZMVJQE-BUYIWHAFSA-N 1 0 331.416 2.989 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001618550907 1099303311 /nfs/dbraw/zinc/30/33/11/1099303311.db2.gz RPTIHXRINFTJCT-UHFFFAOYSA-N 1 0 341.411 2.671 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)n1 ZINC001619411177 1099329243 /nfs/dbraw/zinc/32/92/43/1099329243.db2.gz VGZAMEBMCPFWJJ-BRWVUGGUSA-N 1 0 342.399 2.786 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001620641400 1099364109 /nfs/dbraw/zinc/36/41/09/1099364109.db2.gz MXIHUWBMCYBNNR-JCGIZDLHSA-N 1 0 334.416 2.503 10 5 EFBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647063 1099365987 /nfs/dbraw/zinc/36/59/87/1099365987.db2.gz BOZHLWFSTFZDGO-MQIPJXDCSA-N 1 0 335.429 2.607 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001624760629 1099727678 /nfs/dbraw/zinc/72/76/78/1099727678.db2.gz AEKARDBQEAQUJV-HNNXBMFYSA-N 1 0 344.415 2.539 10 5 EFBERO Cc1cc(C)c(C(=O)NCC2(NCc3csc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001670808087 1099788483 /nfs/dbraw/zinc/78/84/83/1099788483.db2.gz VDWPUXKZELGCTQ-UHFFFAOYSA-N 1 0 348.428 2.653 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001625594690 1099829986 /nfs/dbraw/zinc/82/99/86/1099829986.db2.gz PFKZDOXVMCCTHH-WCQYABFASA-N 1 0 337.395 2.893 10 5 EFBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](c1ccccc1)[NH+](C)C ZINC001625652014 1099836430 /nfs/dbraw/zinc/83/64/30/1099836430.db2.gz RUBAKHSRVMZOJZ-SJKOYZFVSA-N 1 0 342.399 2.598 10 5 EFBERO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001628127222 1100065485 /nfs/dbraw/zinc/06/54/85/1100065485.db2.gz ZUWQBYAWCDYXEW-KBPBESRZSA-N 1 0 339.823 2.780 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001628726588 1100127245 /nfs/dbraw/zinc/12/72/45/1100127245.db2.gz MDRMGOYSJVZGAY-UHFFFAOYSA-N 1 0 349.431 2.845 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630560253 1100317934 /nfs/dbraw/zinc/31/79/34/1100317934.db2.gz JVTDHJPXCMKRCS-HNNXBMFYSA-N 1 0 339.823 2.985 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC001631683328 1100419049 /nfs/dbraw/zinc/41/90/49/1100419049.db2.gz ZCONGRZKNTWMMW-ZNMIVQPWSA-N 1 0 346.431 2.776 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001632477415 1100477200 /nfs/dbraw/zinc/47/72/00/1100477200.db2.gz LCXDMWIHHIFQCG-LBPRGKRZSA-N 1 0 325.796 2.851 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001632477414 1100477389 /nfs/dbraw/zinc/47/73/89/1100477389.db2.gz LCXDMWIHHIFQCG-GFCCVEGCSA-N 1 0 325.796 2.851 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001632737665 1100497426 /nfs/dbraw/zinc/49/74/26/1100497426.db2.gz PCVNNOQCCKOGFQ-CQSZACIVSA-N 1 0 349.431 2.988 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001634614598 1100618664 /nfs/dbraw/zinc/61/86/64/1100618664.db2.gz WUOGABOHEQYLPT-ZDUSSCGKSA-N 1 0 337.395 2.846 10 5 EFBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684845 1100623790 /nfs/dbraw/zinc/62/37/90/1100623790.db2.gz CMDKQYBLUULLEN-GUYCJALGSA-N 1 0 342.399 2.563 10 5 EFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684844 1100624188 /nfs/dbraw/zinc/62/41/88/1100624188.db2.gz CMDKQYBLUULLEN-DYVFJYSZSA-N 1 0 342.399 2.563 10 5 EFBERO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001634991288 1100638804 /nfs/dbraw/zinc/63/88/04/1100638804.db2.gz ZXRDHUKFCXOFMF-UHFFFAOYSA-N 1 0 348.447 2.665 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC001635808980 1100681405 /nfs/dbraw/zinc/68/14/05/1100681405.db2.gz LIBPAIZWXGUSGR-HNNXBMFYSA-N 1 0 331.372 2.801 10 5 EFBERO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1C[NH+](C)C ZINC001638852870 1100891030 /nfs/dbraw/zinc/89/10/30/1100891030.db2.gz VLEJSTSMFJRGMB-UHFFFAOYSA-N 1 0 346.362 2.938 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001639798783 1100984570 /nfs/dbraw/zinc/98/45/70/1100984570.db2.gz YWHSDTLGTCBNHI-LSDHHAIUSA-N 1 0 337.395 2.511 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001639882873 1100991861 /nfs/dbraw/zinc/99/18/61/1100991861.db2.gz MZCHQVDQKTYTGU-LLVKDONJSA-N 1 0 347.375 2.614 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001640013807 1101004387 /nfs/dbraw/zinc/00/43/87/1101004387.db2.gz LHIKPZXGCIBDCS-OAHLLOKOSA-N 1 0 331.416 2.592 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC001640217958 1101024699 /nfs/dbraw/zinc/02/46/99/1101024699.db2.gz UWNNQGMYNQCZMG-WFASDCNBSA-N 1 0 335.379 2.741 10 5 EFBERO CCOc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC001640396539 1101041982 /nfs/dbraw/zinc/04/19/82/1101041982.db2.gz NOVKITSFLKKNBC-ZFWWWQNUSA-N 1 0 337.445 2.985 10 5 EFBERO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001640412380 1101044374 /nfs/dbraw/zinc/04/43/74/1101044374.db2.gz YOYCZPAUICITDF-NSHDSACASA-N 1 0 335.433 2.757 10 5 EFBERO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001640412035 1101044889 /nfs/dbraw/zinc/04/48/89/1101044889.db2.gz OYTCOPPHXWDOAL-GFCCVEGCSA-N 1 0 334.376 2.956 10 5 EFBERO CCc1nn(C)c(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001640548964 1101058432 /nfs/dbraw/zinc/05/84/32/1101058432.db2.gz KNEPFMUIONUEKN-CQSZACIVSA-N 1 0 349.822 2.695 10 5 EFBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640619974 1101066098 /nfs/dbraw/zinc/06/60/98/1101066098.db2.gz UEVRCJDDPOZPLX-CYBMUJFWSA-N 1 0 339.823 2.733 10 5 EFBERO CC[N@H+](CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C1CC1 ZINC001642192519 1101196828 /nfs/dbraw/zinc/19/68/28/1101196828.db2.gz RVMKKSMJGBUGHP-UHFFFAOYSA-N 1 0 341.795 2.931 10 5 EFBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001642491279 1101216171 /nfs/dbraw/zinc/21/61/71/1101216171.db2.gz OXYAZYQCFOLQMP-WDEREUQCSA-N 1 0 342.237 2.882 10 5 EFBERO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001642933472 1101258065 /nfs/dbraw/zinc/25/80/65/1101258065.db2.gz FXNRZKIYHSFPQN-KRWDZBQOSA-N 1 0 346.387 2.772 10 5 EFBERO CCOc1cc(N2CC[NH+](C[Si](C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001642945279 1101258465 /nfs/dbraw/zinc/25/84/65/1101258465.db2.gz WFGNWKACWQWZAB-UHFFFAOYSA-N 1 0 337.496 2.993 10 5 EFBERO O=c1[nH]ccc(NCc2ccc(Nc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC001642997325 1101262700 /nfs/dbraw/zinc/26/27/00/1101262700.db2.gz XGGKMUSXTLTAID-UHFFFAOYSA-N 1 0 337.339 2.868 10 5 EFBERO CC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001643213643 1101280030 /nfs/dbraw/zinc/28/00/30/1101280030.db2.gz HOONOEOGTPOZBM-INIZCTEOSA-N 1 0 325.368 2.948 10 5 EFBERO Cc1cc(NC[C@@H]2CCCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651490968 1101336992 /nfs/dbraw/zinc/33/69/92/1101336992.db2.gz XKSHZNREDBJSEU-INIZCTEOSA-N 1 0 341.415 2.678 10 5 EFBERO CC[N@H+](CCC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1)CC(C)C ZINC001651681204 1101367528 /nfs/dbraw/zinc/36/75/28/1101367528.db2.gz KEWHDFZYZFPOQS-UHFFFAOYSA-N 1 0 337.468 2.913 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001652034252 1101423579 /nfs/dbraw/zinc/42/35/79/1101423579.db2.gz GMGSCFUMUVPPJL-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001652138590 1101441251 /nfs/dbraw/zinc/44/12/51/1101441251.db2.gz BXIAMKRJIVXCEJ-OAHLLOKOSA-N 1 0 329.404 2.795 10 5 EFBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC([NH2+]C2CCOCC2)C1 ZINC001652229715 1101456358 /nfs/dbraw/zinc/45/63/58/1101456358.db2.gz ZQCOJLBHKGFHAV-UHFFFAOYSA-N 1 0 345.321 2.571 10 5 EFBERO Nc1cc(CCCCNc2ncnc3cccc([N+](=O)[O-])c32)cc[nH+]1 ZINC001652275214 1101467397 /nfs/dbraw/zinc/46/73/97/1101467397.db2.gz NWRBHNOUIOHVDJ-UHFFFAOYSA-N 1 0 338.371 2.950 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001652603586 1101519354 /nfs/dbraw/zinc/51/93/54/1101519354.db2.gz NIVNJMXFMMSFDE-CQSZACIVSA-N 1 0 330.388 2.536 10 5 EFBERO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c[nH+]cn2c1 ZINC001652862127 1101559031 /nfs/dbraw/zinc/55/90/31/1101559031.db2.gz MMHNSILQBOVOIC-UHFFFAOYSA-N 1 0 338.323 2.844 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001653411430 1101618800 /nfs/dbraw/zinc/61/88/00/1101618800.db2.gz UZUNAXAIYOBMSJ-JSGCOSHPSA-N 1 0 332.360 2.692 10 5 EFBERO COc1ccc(OCC[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001653640686 1101638134 /nfs/dbraw/zinc/63/81/34/1101638134.db2.gz BEFBABFVZGTPKR-WBVHZDCISA-N 1 0 338.404 2.775 10 5 EFBERO C[N@H+](CCNC(=O)C(C)(C)C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266350335 1101663226 /nfs/dbraw/zinc/66/32/26/1101663226.db2.gz LBQQSQLOIOPSSO-UHFFFAOYSA-N 1 0 347.337 2.731 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H]1CCC[N@@H+]1C ZINC001653950239 1101665179 /nfs/dbraw/zinc/66/51/79/1101665179.db2.gz RCMVDTQRKABVKL-ZDUSSCGKSA-N 1 0 342.237 2.883 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081492 1101680744 /nfs/dbraw/zinc/68/07/44/1101680744.db2.gz YIJICDYWIBTGEC-NWDGAFQWSA-N 1 0 344.371 2.655 10 5 EFBERO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([N+](=O)[O-])n1 ZINC001654499305 1101724891 /nfs/dbraw/zinc/72/48/91/1101724891.db2.gz PAHQUGAJIMYXPB-ZDUSSCGKSA-N 1 0 345.359 2.616 10 5 EFBERO CCC[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001654880120 1101766768 /nfs/dbraw/zinc/76/67/68/1101766768.db2.gz QKXXIAQFKOGPCC-UHFFFAOYSA-N 1 0 328.210 2.889 10 5 EFBERO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC001654951323 1101772934 /nfs/dbraw/zinc/77/29/34/1101772934.db2.gz SSTPZRASHFKZTJ-GOSISDBHSA-N 1 0 325.412 2.954 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC001654973282 1101772965 /nfs/dbraw/zinc/77/29/65/1101772965.db2.gz SNXJVWQUCJQORB-LBPRGKRZSA-N 1 0 335.404 2.834 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001655017279 1101777249 /nfs/dbraw/zinc/77/72/49/1101777249.db2.gz XUVISQSQPXFSAP-GDZNZVCISA-N 1 0 349.456 2.915 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001655016966 1101778031 /nfs/dbraw/zinc/77/80/31/1101778031.db2.gz LDOWRRFMJHRGGI-MQIPJXDCSA-N 1 0 335.429 2.607 10 5 EFBERO Cn1cncc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001655123406 1101788040 /nfs/dbraw/zinc/78/80/40/1101788040.db2.gz JWSPWIUYVFVAAL-UHFFFAOYSA-N 1 0 330.388 2.587 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@]12CCOC2 ZINC001655123342 1101788644 /nfs/dbraw/zinc/78/86/44/1101788644.db2.gz IMBVKPIYIAUQEH-SFHVURJKSA-N 1 0 347.415 2.877 10 5 EFBERO O=C(CCC(F)(F)F)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266676728 1101843195 /nfs/dbraw/zinc/84/31/95/1101843195.db2.gz TYMBRHVSUXNIQQ-TXEJJXNPSA-N 1 0 345.321 2.674 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(C)C ZINC001655598721 1101854638 /nfs/dbraw/zinc/85/46/38/1101854638.db2.gz WJFTVJZYLPIEAZ-CABCVRRESA-N 1 0 332.404 2.620 10 5 EFBERO C[C@]12CN(c3ccc([N+](=O)[O-])nc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001655827152 1101897029 /nfs/dbraw/zinc/89/70/29/1101897029.db2.gz OMDGTCSYHGGQOH-APWZRJJASA-N 1 0 338.411 2.948 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1occc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001266417109 1101951904 /nfs/dbraw/zinc/95/19/04/1101951904.db2.gz XBDSZHSJMBFAPP-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC000713985534 1102122260 /nfs/dbraw/zinc/12/22/60/1102122260.db2.gz WQSHPTRRNOKRBH-MRVPVSSYSA-N 1 0 345.193 2.889 10 5 EFBERO C/C(=C/C(=O)NC1CC[NH+](C(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785059505 1102224870 /nfs/dbraw/zinc/22/48/70/1102224870.db2.gz CDDBNMAVCNWKIN-OWBHPGMISA-N 1 0 331.416 2.987 10 5 EFBERO CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482504986 1102431337 /nfs/dbraw/zinc/43/13/37/1102431337.db2.gz VTEQYKJPAXOXFR-ADDHZHGLSA-N 1 0 337.464 2.568 10 5 EFBERO COc1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001658142127 1102438298 /nfs/dbraw/zinc/43/82/98/1102438298.db2.gz DHUHRSUBIPXYLP-CJNGLKHVSA-N 1 0 330.384 2.858 10 5 EFBERO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC001658193846 1102444133 /nfs/dbraw/zinc/44/41/33/1102444133.db2.gz CBPAZLSXBRZQEG-RYUDHWBXSA-N 1 0 332.360 2.550 10 5 EFBERO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC001659280058 1102530734 /nfs/dbraw/zinc/53/07/34/1102530734.db2.gz ATEISEXRQRYKMN-LJQANCHMSA-N 1 0 325.412 2.954 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000588445383 1102544929 /nfs/dbraw/zinc/54/49/29/1102544929.db2.gz LYTIJQCCWDKAHZ-BHEFUSTPSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000588445382 1102545311 /nfs/dbraw/zinc/54/53/11/1102545311.db2.gz LYTIJQCCWDKAHZ-AINHQSCGSA-N 1 0 331.416 2.941 10 5 EFBERO CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001266903241 1102646440 /nfs/dbraw/zinc/64/64/40/1102646440.db2.gz NWKNEESWECEWGM-FOLVSLTJSA-N 1 0 331.416 2.577 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266554141 1102723617 /nfs/dbraw/zinc/72/36/17/1102723617.db2.gz PZTDVXDPLDZVHJ-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO CCC[N@H+](CCNC(=O)C1=COCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266556775 1102734710 /nfs/dbraw/zinc/73/47/10/1102734710.db2.gz YAEMMBZZNMANMW-UHFFFAOYSA-N 1 0 347.415 2.617 10 5 EFBERO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905317565 1103045779 /nfs/dbraw/zinc/04/57/79/1103045779.db2.gz SATFFKVQMGLJHI-UHFFFAOYSA-N 1 0 341.371 2.523 10 5 EFBERO Cc1occc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001483452496 1103744976 /nfs/dbraw/zinc/74/49/76/1103744976.db2.gz YELARGQICOOXAP-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(F)(F)F ZINC001482587616 1103905402 /nfs/dbraw/zinc/90/54/02/1103905402.db2.gz GXWPMJYPTNYGKS-UHFFFAOYSA-N 1 0 347.337 2.828 10 5 EFBERO Cc1cccc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001663262054 1104041437 /nfs/dbraw/zinc/04/14/37/1104041437.db2.gz DOOBCJYGKXTWSC-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO C[NH+](C)[C@@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906528564 1104272704 /nfs/dbraw/zinc/27/27/04/1104272704.db2.gz DRFUYQWSYQYSAK-CQSZACIVSA-N 1 0 339.823 2.733 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001664392214 1104375385 /nfs/dbraw/zinc/37/53/85/1104375385.db2.gz ZVJBXFCVRAVAIL-UHFFFAOYSA-N 1 0 347.440 2.755 10 5 EFBERO C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001168201989 1104490628 /nfs/dbraw/zinc/49/06/28/1104490628.db2.gz PNGPXPMMWDAGFY-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccco1 ZINC001482907763 1105155078 /nfs/dbraw/zinc/15/50/78/1105155078.db2.gz XNZSDHGKDSHUOF-KTKRTIGZSA-N 1 0 343.383 2.839 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC001482907619 1105155585 /nfs/dbraw/zinc/15/55/85/1105155585.db2.gz RQAYDJXSTWPTKC-UHFFFAOYSA-N 1 0 327.384 2.847 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1F ZINC001482907056 1105155736 /nfs/dbraw/zinc/15/57/36/1105155736.db2.gz GKWMELDTQCIVKU-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(F)F ZINC001482947042 1105234635 /nfs/dbraw/zinc/23/46/35/1105234635.db2.gz ICAUHXFMKCDVNJ-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccc[nH]1 ZINC001668411516 1105294172 /nfs/dbraw/zinc/29/41/72/1105294172.db2.gz AAACNSHOBOXHBI-MDZDMXLPSA-N 1 0 342.399 2.574 10 5 EFBERO Cc1occc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482982304 1105312147 /nfs/dbraw/zinc/31/21/47/1105312147.db2.gz OXMXSNZQZVOFQD-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001669034416 1105421642 /nfs/dbraw/zinc/42/16/42/1105421642.db2.gz VBLWGUIQELXXKI-ARJAWSKDSA-N 1 0 341.358 2.648 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001669999959 1105567670 /nfs/dbraw/zinc/56/76/70/1105567670.db2.gz DSYGMUSIUGDNNV-WAYWQWQTSA-N 1 0 349.412 2.901 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001670038599 1105571845 /nfs/dbraw/zinc/57/18/45/1105571845.db2.gz OIFWPLDECSWDRQ-UHFFFAOYSA-N 1 0 339.339 2.547 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1C=CC=CC=C1 ZINC001670110105 1105581827 /nfs/dbraw/zinc/58/18/27/1105581827.db2.gz YPNRYNZALFCFBQ-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CC=CC1 ZINC001670233042 1105601142 /nfs/dbraw/zinc/60/11/42/1105601142.db2.gz HVQDZRLVYWCBBA-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001672348625 1105809129 /nfs/dbraw/zinc/80/91/29/1105809129.db2.gz UTHMKABOWXVNBZ-CQHIBAPWSA-N 1 0 349.475 2.757 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1C ZINC000897625310 1106001235 /nfs/dbraw/zinc/00/12/35/1106001235.db2.gz KCBWRMFWXCCJCO-UHFFFAOYSA-N 1 0 331.416 2.958 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CC1 ZINC001674836029 1106264236 /nfs/dbraw/zinc/26/42/36/1106264236.db2.gz XMZGUUIKXVLUPE-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001675249433 1106324158 /nfs/dbraw/zinc/32/41/58/1106324158.db2.gz SGLTUGLJWFYBMD-MRXNPFEDSA-N 1 0 348.447 2.775 10 5 EFBERO Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001675249428 1106324661 /nfs/dbraw/zinc/32/46/61/1106324661.db2.gz SGLTUGLJWFYBMD-INIZCTEOSA-N 1 0 348.447 2.775 10 5 EFBERO O=C(CCCF)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001675666202 1106407588 /nfs/dbraw/zinc/40/75/88/1106407588.db2.gz UKLOQSJQEOSDHV-UHFFFAOYSA-N 1 0 349.406 2.769 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000929162965 1106459973 /nfs/dbraw/zinc/45/99/73/1106459973.db2.gz XIDIMHUXYHBLHD-NSHDSACASA-N 1 0 342.264 2.975 10 5 EFBERO CCO[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960773 1108294076 /nfs/dbraw/zinc/29/40/76/1108294076.db2.gz NEAROXUMPNVPBC-WMLDXEAASA-N 1 0 335.448 2.874 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000898826105 1109099795 /nfs/dbraw/zinc/09/97/95/1109099795.db2.gz MXWBLOQOTZEPET-YVSFHVDLSA-N 1 0 343.427 2.687 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000898847403 1109103441 /nfs/dbraw/zinc/10/34/41/1109103441.db2.gz DMOGDVISIJOEKK-KGLIPLIRSA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C12CCC2 ZINC000898840165 1109107027 /nfs/dbraw/zinc/10/70/27/1109107027.db2.gz QFENJEOPCAZHTI-STQMWFEESA-N 1 0 337.807 2.851 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C12CCC2 ZINC000898840161 1109107063 /nfs/dbraw/zinc/10/70/63/1109107063.db2.gz QFENJEOPCAZHTI-CHWSQXEVSA-N 1 0 337.807 2.851 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000899567431 1109392418 /nfs/dbraw/zinc/39/24/18/1109392418.db2.gz RXLJEVDNRFIAOE-UHFFFAOYSA-N 1 0 346.431 2.727 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000899564552 1109395417 /nfs/dbraw/zinc/39/54/17/1109395417.db2.gz UXUOZWQSNAZXIO-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000899563520 1109395568 /nfs/dbraw/zinc/39/55/68/1109395568.db2.gz DYJXYSLRFURVOE-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO CC[NH+]1CCC(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000920337806 1112338227 /nfs/dbraw/zinc/33/82/27/1112338227.db2.gz OYBFZRXKXIDZDA-ALCCZGGFSA-N 1 0 347.415 2.925 10 5 EFBERO C/C(=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001485675863 1118523207 /nfs/dbraw/zinc/52/32/07/1118523207.db2.gz JIFFSKIAJTWKNQ-NUHMAXIESA-N 1 0 343.427 2.936 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554916 214133856 /nfs/dbraw/zinc/13/38/56/214133856.db2.gz VLNPWTSGLXXMQE-INIZCTEOSA-N 1 0 327.384 2.556 10 5 EFBERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc([N+](=O)[O-])c1 ZINC000175048438 231375390 /nfs/dbraw/zinc/37/53/90/231375390.db2.gz NPHJWQWFSAKLAV-CVEARBPZSA-N 1 0 331.416 2.991 10 5 EFBERO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159950281 529608892 /nfs/dbraw/zinc/60/88/92/529608892.db2.gz FXRWOFYAFXVGCD-MRXNPFEDSA-N 1 0 334.420 2.783 10 5 EFBERO Cc1nc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1C ZINC000100813160 219108085 /nfs/dbraw/zinc/10/80/85/219108085.db2.gz NKYIFAUODKQOMA-MRXNPFEDSA-N 1 0 343.431 2.613 10 5 EFBERO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000159432792 529982844 /nfs/dbraw/zinc/98/28/44/529982844.db2.gz FXFYZEPRMKWAQI-UHFFFAOYSA-N 1 0 329.194 2.560 10 5 EFBERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003415203 210033040 /nfs/dbraw/zinc/03/30/40/210033040.db2.gz DIUMOGYJGCKTDU-OAHLLOKOSA-N 1 0 341.367 2.679 10 5 EFBERO O[C@H](COc1ccccc1F)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000003180914 209973378 /nfs/dbraw/zinc/97/33/78/209973378.db2.gz IJJYNFVXAKCCLY-SFHVURJKSA-N 1 0 346.422 2.613 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000183350792 235022211 /nfs/dbraw/zinc/02/22/11/235022211.db2.gz WLXYSECCAKEYKM-QGZVFWFLSA-N 1 0 344.415 2.582 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC000183855974 235244590 /nfs/dbraw/zinc/24/45/90/235244590.db2.gz CGVZKXLUULOHIN-LBPRGKRZSA-N 1 0 328.372 2.855 10 5 EFBERO [NH3+]Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000186483890 235919753 /nfs/dbraw/zinc/91/97/53/235919753.db2.gz ASQPDGQJURHAIL-UHFFFAOYSA-N 1 0 325.368 2.858 10 5 EFBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187985223 236372377 /nfs/dbraw/zinc/37/23/77/236372377.db2.gz GMJVPPIOXOWWMY-YVEFUNNKSA-N 1 0 346.387 2.628 10 5 EFBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188010224 236380133 /nfs/dbraw/zinc/38/01/33/236380133.db2.gz YHXSGOYWLMRIHR-SJKOYZFVSA-N 1 0 346.387 2.628 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886432 215923447 /nfs/dbraw/zinc/92/34/47/215923447.db2.gz RAWGNKXFKGHRCH-CQSZACIVSA-N 1 0 342.399 2.777 10 5 EFBERO Cc1sc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000129414031 223053316 /nfs/dbraw/zinc/05/33/16/223053316.db2.gz PRPJRSBNOKPVDN-UHFFFAOYSA-N 1 0 325.434 2.815 10 5 EFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834944 296024996 /nfs/dbraw/zinc/02/49/96/296024996.db2.gz BWBPQSKJLVLYPN-NXEZZACHSA-N 1 0 328.210 2.921 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176547381 239326246 /nfs/dbraw/zinc/32/62/46/239326246.db2.gz OCEUQGBMLDQMMC-UHFFFAOYSA-N 1 0 348.447 2.786 10 5 EFBERO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177535297 239380136 /nfs/dbraw/zinc/38/01/36/239380136.db2.gz XVUQZJLFZLYPDW-HUUCEWRRSA-N 1 0 329.400 2.606 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245898121 243168737 /nfs/dbraw/zinc/16/87/37/243168737.db2.gz AEVKNLXWPDJVFK-XJKSGUPXSA-N 1 0 333.432 2.634 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246745596 243306480 /nfs/dbraw/zinc/30/64/80/243306480.db2.gz BEEHLDFAXVWCJU-IAQYHMDHSA-N 1 0 339.823 2.636 10 5 EFBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000251707634 243741974 /nfs/dbraw/zinc/74/19/74/243741974.db2.gz JGFOBGYYBXNSJT-NOZJJQNGSA-N 1 0 328.210 2.744 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414547351 244224556 /nfs/dbraw/zinc/22/45/56/244224556.db2.gz IJYAQEKYMBIBBN-MRXNPFEDSA-N 1 0 331.416 2.880 10 5 EFBERO Cc1c(NC(=O)N(CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000414699212 244296758 /nfs/dbraw/zinc/29/67/58/244296758.db2.gz JOOPVZVVCDACQZ-UHFFFAOYSA-N 1 0 342.399 2.939 10 5 EFBERO CC(C)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418121182 245112231 /nfs/dbraw/zinc/11/22/31/245112231.db2.gz WXWDESOBLATHEU-HUUCEWRRSA-N 1 0 335.448 2.605 10 5 EFBERO C[C@@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419285796 245367494 /nfs/dbraw/zinc/36/74/94/245367494.db2.gz DREJKECPBKKEQS-CYBMUJFWSA-N 1 0 346.431 2.528 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096839 217361889 /nfs/dbraw/zinc/36/18/89/217361889.db2.gz XIYVBEZFRQNJGL-RHSMWYFYSA-N 1 0 348.447 2.504 10 5 EFBERO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426006143 247225360 /nfs/dbraw/zinc/22/53/60/247225360.db2.gz ZUFBCOYYOLOARQ-YPMHNXCESA-N 1 0 333.413 2.921 10 5 EFBERO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000430235478 247753431 /nfs/dbraw/zinc/75/34/31/247753431.db2.gz YWFFUIMCHXZCNY-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000433423239 248058034 /nfs/dbraw/zinc/05/80/34/248058034.db2.gz UKIYCOPYXAELMJ-UHFFFAOYSA-N 1 0 342.399 2.559 10 5 EFBERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644317 218239225 /nfs/dbraw/zinc/23/92/25/218239225.db2.gz CAZDXQAKJXRZKC-TZMCWYRMSA-N 1 0 337.420 2.527 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000444013508 250249375 /nfs/dbraw/zinc/24/93/75/250249375.db2.gz YMBQZVBOVUAYAC-AWEZNQCLSA-N 1 0 347.394 2.534 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094139738 218266714 /nfs/dbraw/zinc/26/67/14/218266714.db2.gz JIVZOBBLRKUKOZ-DZGCQCFKSA-N 1 0 331.416 2.829 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000449433467 251026848 /nfs/dbraw/zinc/02/68/48/251026848.db2.gz MMRDQTUJSUSZSN-XPKDYRNWSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000449433465 251027530 /nfs/dbraw/zinc/02/75/30/251027530.db2.gz MMRDQTUJSUSZSN-JGGQBBKZSA-N 1 0 340.807 2.610 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449586553 251074639 /nfs/dbraw/zinc/07/46/39/251074639.db2.gz GBXLERYHKAFFTN-YOEHRIQHSA-N 1 0 330.388 2.647 10 5 EFBERO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000449779409 251151078 /nfs/dbraw/zinc/15/10/78/251151078.db2.gz TZAWCNIHECZEJN-ZDUSSCGKSA-N 1 0 336.388 2.710 10 5 EFBERO CC(=O)NC1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268805599 252258992 /nfs/dbraw/zinc/25/89/92/252258992.db2.gz BQKFQPYQCRWKKJ-ABHNRTSZSA-N 1 0 345.443 2.953 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000174685375 285134944 /nfs/dbraw/zinc/13/49/44/285134944.db2.gz JTWMGEVNMJNUBG-LBPRGKRZSA-N 1 0 347.337 2.872 10 5 EFBERO CCn1cc(C[N@@H+]2CCCN(c3c(C)cccc3[N+](=O)[O-])CC2)cn1 ZINC000112695485 220375701 /nfs/dbraw/zinc/37/57/01/220375701.db2.gz WLIOEOUPILBORX-UHFFFAOYSA-N 1 0 343.431 2.832 10 5 EFBERO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000357320679 285158733 /nfs/dbraw/zinc/15/87/33/285158733.db2.gz DHRJISGYUVTSQS-UHFFFAOYSA-N 1 0 349.394 2.860 10 5 EFBERO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000459692372 255918729 /nfs/dbraw/zinc/91/87/29/255918729.db2.gz GXVHBAOEDHJONJ-AWEZNQCLSA-N 1 0 328.368 2.869 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459747065 255927023 /nfs/dbraw/zinc/92/70/23/255927023.db2.gz CORSJWUPHXSJQX-UHFFFAOYSA-N 1 0 338.429 2.681 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119747078 221391900 /nfs/dbraw/zinc/39/19/00/221391900.db2.gz RIVXZAOXMLEGRH-LBPRGKRZSA-N 1 0 325.434 2.672 10 5 EFBERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714945 533355978 /nfs/dbraw/zinc/35/59/78/533355978.db2.gz VNMJDJRPURCZPC-GUBZILKMSA-N 1 0 329.784 2.588 10 5 EFBERO Cc1c(Br)c(N[C@@H](C)CCCC[NH3+])ncc1[N+](=O)[O-] ZINC000311475574 141484851 /nfs/dbraw/zinc/48/48/51/141484851.db2.gz PTAXPIUVFAFWDU-QMMMGPOBSA-N 1 0 331.214 2.990 10 5 EFBERO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000341685594 141850359 /nfs/dbraw/zinc/85/03/59/141850359.db2.gz OVNMCINLODTCFA-UHFFFAOYSA-N 1 0 347.334 2.773 10 5 EFBERO Cn1c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000343528204 142013276 /nfs/dbraw/zinc/01/32/76/142013276.db2.gz CAVIXOFUHAKLBG-HNNXBMFYSA-N 1 0 348.447 2.662 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000344554322 142039269 /nfs/dbraw/zinc/03/92/69/142039269.db2.gz XSBQCNRZRGFDGG-BJJXKVORSA-N 1 0 331.416 2.817 10 5 EFBERO COCCN1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799732 142080616 /nfs/dbraw/zinc/08/06/16/142080616.db2.gz ZFTSEWRUUCFJHA-RXBGNRNISA-N 1 0 333.432 2.699 10 5 EFBERO CC(C)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000347618296 142245656 /nfs/dbraw/zinc/24/56/56/142245656.db2.gz VBPZUULXPGMBDL-KGLIPLIRSA-N 1 0 338.433 2.591 10 5 EFBERO CCCN(CCC[NH+](C)C)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000347904790 142290688 /nfs/dbraw/zinc/29/06/88/142290688.db2.gz BBXDSVAZQNTNDC-UHFFFAOYSA-N 1 0 337.420 2.797 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccsc1 ZINC000349381685 142326729 /nfs/dbraw/zinc/32/67/29/142326729.db2.gz QLSKCZKOGPVAPK-NHYWBVRUSA-N 1 0 349.412 2.697 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107264 144992493 /nfs/dbraw/zinc/99/24/93/144992493.db2.gz HHJIFLAFFNGVEN-ZIAGYGMSSA-N 1 0 334.420 2.657 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107260 144992784 /nfs/dbraw/zinc/99/27/84/144992784.db2.gz HHJIFLAFFNGVEN-KBPBESRZSA-N 1 0 334.420 2.657 10 5 EFBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402514 145046832 /nfs/dbraw/zinc/04/68/32/145046832.db2.gz MOICIGZVPALQFI-GJZGRUSLSA-N 1 0 348.447 2.999 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000342192649 145078203 /nfs/dbraw/zinc/07/82/03/145078203.db2.gz BDWSWLBZZJUUHC-UHFFFAOYSA-N 1 0 340.351 2.519 10 5 EFBERO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000342785087 145192573 /nfs/dbraw/zinc/19/25/73/145192573.db2.gz XWQZIMQOLBYTPQ-AWEZNQCLSA-N 1 0 337.395 2.815 10 5 EFBERO C[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000342816487 145200419 /nfs/dbraw/zinc/20/04/19/145200419.db2.gz WBUJWOLEHGOLTA-UHFFFAOYSA-N 1 0 348.447 2.778 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342895564 145216849 /nfs/dbraw/zinc/21/68/49/145216849.db2.gz BJSJKWZVLVPJBX-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000355223918 146896595 /nfs/dbraw/zinc/89/65/95/146896595.db2.gz IDMRTPJDQOZXAH-UHFFFAOYSA-N 1 0 344.415 2.926 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000351604319 146157642 /nfs/dbraw/zinc/15/76/42/146157642.db2.gz UKQWBVFAZKRCSN-GFCCVEGCSA-N 1 0 330.340 2.850 10 5 EFBERO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351978280 146253207 /nfs/dbraw/zinc/25/32/07/146253207.db2.gz PPELLLJHTHWGRD-UHFFFAOYSA-N 1 0 349.431 2.732 10 5 EFBERO COCC[C@@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353088038 146393578 /nfs/dbraw/zinc/39/35/78/146393578.db2.gz ZYVORLKAIWWWNR-AWEZNQCLSA-N 1 0 334.372 2.996 10 5 EFBERO COc1c[nH+]ccc1N1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000355665801 147028955 /nfs/dbraw/zinc/02/89/55/147028955.db2.gz XESYOCGWYHCIMS-UHFFFAOYSA-N 1 0 342.399 2.629 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355730838 147046637 /nfs/dbraw/zinc/04/66/37/147046637.db2.gz PKQIXOOWHFEIOA-OLZOCXBDSA-N 1 0 336.388 2.767 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000355766379 147056785 /nfs/dbraw/zinc/05/67/85/147056785.db2.gz DIPKHJWRZBPPJG-GFCCVEGCSA-N 1 0 336.388 2.767 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356286018 147200947 /nfs/dbraw/zinc/20/09/47/147200947.db2.gz QRAYJVYIWAQJDI-CJNGLKHVSA-N 1 0 348.447 2.829 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356340705 147217264 /nfs/dbraw/zinc/21/72/64/147217264.db2.gz PDFJKPYOFXNJEW-CJNGLKHVSA-N 1 0 333.432 2.814 10 5 EFBERO Cc1n[nH]c(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000356785422 147335206 /nfs/dbraw/zinc/33/52/06/147335206.db2.gz NGQVXITYUAVZBO-GOSISDBHSA-N 1 0 337.383 2.943 10 5 EFBERO CC[C@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003005 147396176 /nfs/dbraw/zinc/39/61/76/147396176.db2.gz ZFWJILFUNJLWIH-YJBOKZPZSA-N 1 0 333.432 2.922 10 5 EFBERO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCOC)c([N+](=O)[O-])c1 ZINC000359479550 148097194 /nfs/dbraw/zinc/09/71/94/148097194.db2.gz GWXKQBHXJSXSHO-AWEZNQCLSA-N 1 0 335.404 2.710 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000359563513 148124409 /nfs/dbraw/zinc/12/44/09/148124409.db2.gz SPECMNDMJPOQPG-KUHUBIRLSA-N 1 0 343.427 2.996 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000359819536 148198527 /nfs/dbraw/zinc/19/85/27/148198527.db2.gz RTUGIXKUSBRBBJ-AWEZNQCLSA-N 1 0 336.338 2.814 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000364311983 149121790 /nfs/dbraw/zinc/12/17/90/149121790.db2.gz YFOBKIRFCYGVSZ-UHFFFAOYSA-N 1 0 333.779 2.629 10 5 EFBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCc2[nH]cnc2C1 ZINC000368092169 150033756 /nfs/dbraw/zinc/03/37/56/150033756.db2.gz JIHNZWBOSMYMEU-QMMMGPOBSA-N 1 0 335.751 2.650 10 5 EFBERO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000368259908 150080008 /nfs/dbraw/zinc/08/00/08/150080008.db2.gz HCUOYHJWEFHYPB-GOSISDBHSA-N 1 0 330.359 2.870 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CN1 ZINC000372859339 151071621 /nfs/dbraw/zinc/07/16/21/151071621.db2.gz QUIDNZWDJJRDNF-NHYWBVRUSA-N 1 0 337.807 2.739 10 5 EFBERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000372861732 151072690 /nfs/dbraw/zinc/07/26/90/151072690.db2.gz YGHRVISJZHJHSY-JSGCOSHPSA-N 1 0 337.807 2.739 10 5 EFBERO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298222 151149019 /nfs/dbraw/zinc/14/90/19/151149019.db2.gz GQAXECCUUWJCGS-INIZCTEOSA-N 1 0 348.378 2.609 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373968158 151259155 /nfs/dbraw/zinc/25/91/55/151259155.db2.gz HZPGBLXGTWQPCO-UHFFFAOYSA-N 1 0 348.403 2.742 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000374028013 151269909 /nfs/dbraw/zinc/26/99/09/151269909.db2.gz VKSNPHPTVLILLC-AWEZNQCLSA-N 1 0 328.372 2.643 10 5 EFBERO Cc1sc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000374100936 151284558 /nfs/dbraw/zinc/28/45/58/151284558.db2.gz WFOYHVWHZFMDAM-UHFFFAOYSA-N 1 0 337.445 2.913 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000374633319 151385514 /nfs/dbraw/zinc/38/55/14/151385514.db2.gz VIUHONRATIRLKQ-IUODEOHRSA-N 1 0 326.780 2.676 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000158423451 225013033 /nfs/dbraw/zinc/01/30/33/225013033.db2.gz CRFATLYMZVHSDA-CMPLNLGQSA-N 1 0 325.796 2.803 10 5 EFBERO O=[N+]([O-])c1cc(CN2CC[NH+](C3CC3)CC2)ccc1Br ZINC000123000714 222198415 /nfs/dbraw/zinc/19/84/15/222198415.db2.gz IZVCMYJHECJDCI-UHFFFAOYSA-N 1 0 340.221 2.637 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123485955 222286248 /nfs/dbraw/zinc/28/62/48/222286248.db2.gz PHBNQBPSJKOPNO-CABCVRRESA-N 1 0 348.447 2.646 10 5 EFBERO CC[NH2+]Cc1ccccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000124603965 222451906 /nfs/dbraw/zinc/45/19/06/222451906.db2.gz RRALTUFBMQQVIQ-UHFFFAOYSA-N 1 0 345.403 2.546 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171608312 227170201 /nfs/dbraw/zinc/17/02/01/227170201.db2.gz AVNXORYBLADJAJ-SFHVURJKSA-N 1 0 341.411 2.726 10 5 EFBERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000171611410 227173056 /nfs/dbraw/zinc/17/30/56/227173056.db2.gz FIMHYLWCWCKNMH-KSSFIOAISA-N 1 0 341.411 2.945 10 5 EFBERO CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177518198 264880959 /nfs/dbraw/zinc/88/09/59/264880959.db2.gz KRSQGTFPYFCFBJ-KGLIPLIRSA-N 1 0 335.404 2.596 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187185309 265091373 /nfs/dbraw/zinc/09/13/73/265091373.db2.gz ZGLKFCSEEBZNBO-GUYCJALGSA-N 1 0 342.399 2.719 10 5 EFBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271818979 266069685 /nfs/dbraw/zinc/06/96/85/266069685.db2.gz ZPATZCUACBHTIM-MEDUHNTESA-N 1 0 331.328 2.887 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272327341 266230948 /nfs/dbraw/zinc/23/09/48/266230948.db2.gz KWMUTVXJWABLBO-LLVKDONJSA-N 1 0 329.347 2.533 10 5 EFBERO Cn1cc(C[N@@H+]2CCCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272709402 266358719 /nfs/dbraw/zinc/35/87/19/266358719.db2.gz CIIRDUFGSZIBAA-UHFFFAOYSA-N 1 0 332.429 2.934 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000273214976 266466702 /nfs/dbraw/zinc/46/67/02/266466702.db2.gz HHWALKXESJFTDZ-JGJWRRPTSA-N 1 0 329.400 2.741 10 5 EFBERO COc1cccc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000275390821 266797560 /nfs/dbraw/zinc/79/75/60/266797560.db2.gz CJKXADUMXSUDBO-HIFRSBDPSA-N 1 0 337.445 2.619 10 5 EFBERO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276924170 267078104 /nfs/dbraw/zinc/07/81/04/267078104.db2.gz NAHRYYBOHQNYIC-UTUOFQBUSA-N 1 0 331.376 2.897 10 5 EFBERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514582 267189281 /nfs/dbraw/zinc/18/92/81/267189281.db2.gz DXSDSDYZKWBKKP-ZBFHGGJFSA-N 1 0 343.431 2.956 10 5 EFBERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839752 267276701 /nfs/dbraw/zinc/27/67/01/267276701.db2.gz LXHIKNXEGUPPHP-NRUUGDAUSA-N 1 0 341.795 2.590 10 5 EFBERO CC(C)OCC[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277919852 267298753 /nfs/dbraw/zinc/29/87/53/267298753.db2.gz SQZQCLYAUQBVEJ-UHFFFAOYSA-N 1 0 347.419 2.772 10 5 EFBERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000175052586 273028114 /nfs/dbraw/zinc/02/81/14/273028114.db2.gz QFZAHDBZPPFPPO-CVEARBPZSA-N 1 0 331.416 2.991 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175073826 273028413 /nfs/dbraw/zinc/02/84/13/273028413.db2.gz NQQHPGWVHBZTJB-ZBFHGGJFSA-N 1 0 331.416 2.991 10 5 EFBERO CCOc1cc(C[NH2+]C2(CC(=O)OC)CCCC2)ccc1[N+](=O)[O-] ZINC000280265142 273309117 /nfs/dbraw/zinc/30/91/17/273309117.db2.gz CQAAGUMHQZMWHM-UHFFFAOYSA-N 1 0 336.388 2.959 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000280793976 273367379 /nfs/dbraw/zinc/36/73/79/273367379.db2.gz PHCFWLXTZZXONZ-CQSZACIVSA-N 1 0 337.420 2.519 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281564732 273447537 /nfs/dbraw/zinc/44/75/37/273447537.db2.gz AHGHLVMWFNTWTP-CCEZHUSRSA-N 1 0 331.416 2.942 10 5 EFBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485478 273721286 /nfs/dbraw/zinc/72/12/86/273721286.db2.gz XMNWSHSFVRTPKC-LXZKKBNFSA-N 1 0 334.416 2.813 10 5 EFBERO COCC(C)(C)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000425279616 274017064 /nfs/dbraw/zinc/01/70/64/274017064.db2.gz MBLRECUBYDJUPE-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO COCCC[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000071922337 274020841 /nfs/dbraw/zinc/02/08/41/274020841.db2.gz KTEFXKIKPNHLNN-UHFFFAOYSA-N 1 0 344.415 2.692 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286024903 274119426 /nfs/dbraw/zinc/11/94/26/274119426.db2.gz GAOHEQIYKOBDDY-GFCCVEGCSA-N 1 0 345.403 2.920 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000286650097 274243551 /nfs/dbraw/zinc/24/35/51/274243551.db2.gz CGXXFMSVMXTVDX-PWSUYJOCSA-N 1 0 335.433 2.766 10 5 EFBERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287227697 274372849 /nfs/dbraw/zinc/37/28/49/274372849.db2.gz QLSHHHFHKPSERS-YVEFUNNKSA-N 1 0 342.399 2.775 10 5 EFBERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183224099 274518582 /nfs/dbraw/zinc/51/85/82/274518582.db2.gz GGLNLFWYYGSWQF-PKFCDNJMSA-N 1 0 341.795 2.732 10 5 EFBERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000183202047 274518618 /nfs/dbraw/zinc/51/86/18/274518618.db2.gz FFXFLMDPCOYMRO-PKFCDNJMSA-N 1 0 341.795 2.732 10 5 EFBERO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300489452 274709784 /nfs/dbraw/zinc/70/97/84/274709784.db2.gz XRGZBDPZYQALGW-VHSXEESVSA-N 1 0 328.210 2.839 10 5 EFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451261931 275035136 /nfs/dbraw/zinc/03/51/36/275035136.db2.gz KEUKRXULGLSCPR-OALUTQOASA-N 1 0 344.386 2.937 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000183076019 275399975 /nfs/dbraw/zinc/39/99/75/275399975.db2.gz SPHHVGXABSVVJT-AMWPYFQMSA-N 1 0 329.400 2.740 10 5 EFBERO CC(C)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418121184 276053146 /nfs/dbraw/zinc/05/31/46/276053146.db2.gz WXWDESOBLATHEU-LSDHHAIUSA-N 1 0 335.448 2.605 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175333191 276183468 /nfs/dbraw/zinc/18/34/68/276183468.db2.gz DNLBREBFNOURBA-HNNXBMFYSA-N 1 0 345.403 2.561 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184917154 276339648 /nfs/dbraw/zinc/33/96/48/276339648.db2.gz DKLZCDMUEGQPMK-NEPJUHHUSA-N 1 0 325.384 2.684 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408027668 277129248 /nfs/dbraw/zinc/12/92/48/277129248.db2.gz ORLDTUJZRFRGCL-STQMWFEESA-N 1 0 346.214 2.811 10 5 EFBERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157181409 277182567 /nfs/dbraw/zinc/18/25/67/277182567.db2.gz QDHQRRMJUOURDZ-PXAZEXFGSA-N 1 0 342.399 2.632 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222482 278369241 /nfs/dbraw/zinc/36/92/41/278369241.db2.gz TZGWFMHOYKTARK-UKRRQHHQSA-N 1 0 327.388 2.704 10 5 EFBERO C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261571229 278557346 /nfs/dbraw/zinc/55/73/46/278557346.db2.gz QRNRUHAMMUACJK-KOLCDFICSA-N 1 0 328.210 2.921 10 5 EFBERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339149545 280060228 /nfs/dbraw/zinc/06/02/28/280060228.db2.gz SBKLGVZYASPWDD-YGRLFVJLSA-N 1 0 348.321 2.585 10 5 EFBERO Cc1c(Br)c(N(C)CC[C@@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000165841538 280197795 /nfs/dbraw/zinc/19/77/95/280197795.db2.gz IKSLMDGMEJUJJT-SNVBAGLBSA-N 1 0 345.241 2.870 10 5 EFBERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])CN1 ZINC000125768531 280269330 /nfs/dbraw/zinc/26/93/30/280269330.db2.gz YILVZTLPAVQDGJ-TZMCWYRMSA-N 1 0 337.807 2.739 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261575392 280362910 /nfs/dbraw/zinc/36/29/10/280362910.db2.gz BPLDNPPRFHWJNX-KOLCDFICSA-N 1 0 326.194 2.546 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)n1 ZINC000359101614 280398343 /nfs/dbraw/zinc/39/83/43/280398343.db2.gz RESOMFZUZHANNP-UHFFFAOYSA-N 1 0 336.436 2.544 10 5 EFBERO COCC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000353639771 292694798 /nfs/dbraw/zinc/69/47/98/292694798.db2.gz FKQNWSVAIWJIPH-OIISXLGYSA-N 1 0 336.432 2.947 10 5 EFBERO CCNc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000129566269 293138315 /nfs/dbraw/zinc/13/83/15/293138315.db2.gz OMZNIJVGZIHUTR-UHFFFAOYSA-N 1 0 348.447 2.877 10 5 EFBERO CC(C)C[C@@H](C)N(C)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322066 293370515 /nfs/dbraw/zinc/37/05/15/293370515.db2.gz UAFPBQQHFWKNPQ-CQSZACIVSA-N 1 0 333.432 2.846 10 5 EFBERO CC(C)C[C@H](C)N(C)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322157 293370864 /nfs/dbraw/zinc/37/08/64/293370864.db2.gz UAFPBQQHFWKNPQ-AWEZNQCLSA-N 1 0 333.432 2.846 10 5 EFBERO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579698 294126041 /nfs/dbraw/zinc/12/60/41/294126041.db2.gz PJIVFLOVHCGARQ-OPRDCNLKSA-N 1 0 329.784 2.588 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000291022028 294249902 /nfs/dbraw/zinc/24/99/02/294249902.db2.gz VLTRHKCXTRVALJ-LBPRGKRZSA-N 1 0 332.404 2.926 10 5 EFBERO C[NH+](C)CCCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291899725 294516536 /nfs/dbraw/zinc/51/65/36/294516536.db2.gz JYILKCUKYIYHDB-UHFFFAOYSA-N 1 0 334.203 2.973 10 5 EFBERO COC(=O)c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000293011074 294852346 /nfs/dbraw/zinc/85/23/46/294852346.db2.gz IIFHENVPNUTIFI-CQSZACIVSA-N 1 0 347.415 2.612 10 5 EFBERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293852727 295063876 /nfs/dbraw/zinc/06/38/76/295063876.db2.gz DGEOAVZAKYCHRE-GOSISDBHSA-N 1 0 342.399 2.634 10 5 EFBERO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293852729 295064099 /nfs/dbraw/zinc/06/40/99/295064099.db2.gz DGEOAVZAKYCHRE-SFHVURJKSA-N 1 0 342.399 2.634 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000294002226 295096648 /nfs/dbraw/zinc/09/66/48/295096648.db2.gz XJXLTWDBBKTWSM-INIZCTEOSA-N 1 0 337.807 2.724 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294970446 295252433 /nfs/dbraw/zinc/25/24/33/295252433.db2.gz XKGWWBIZEWCNDD-NSHDSACASA-N 1 0 325.796 2.628 10 5 EFBERO COc1cc(C[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000295177738 295278335 /nfs/dbraw/zinc/27/83/35/295278335.db2.gz HSAIJMXECGKNKM-ZDUSSCGKSA-N 1 0 346.330 2.862 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000295504854 295332060 /nfs/dbraw/zinc/33/20/60/295332060.db2.gz SSZPCBQWBYVKPD-INIZCTEOSA-N 1 0 339.367 2.756 10 5 EFBERO CCC[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000162248267 310716579 /nfs/dbraw/zinc/71/65/79/310716579.db2.gz QQXOGTQRWBOTIG-OAHLLOKOSA-N 1 0 336.436 2.552 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553844 310733550 /nfs/dbraw/zinc/73/35/50/310733550.db2.gz DOJCYUXPIRNTAH-CABCVRRESA-N 1 0 343.431 2.956 10 5 EFBERO Cc1cc(C)n2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cnc2n1 ZINC000176835296 310773832 /nfs/dbraw/zinc/77/38/32/310773832.db2.gz KPXAJOHFUQZAGY-UHFFFAOYSA-N 1 0 325.372 2.587 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000178207163 310777901 /nfs/dbraw/zinc/77/79/01/310777901.db2.gz HGKVWIPJNCSVQB-NSHDSACASA-N 1 0 343.339 2.613 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297432821 310894129 /nfs/dbraw/zinc/89/41/29/310894129.db2.gz TXSUOAWBGHDANY-OHTBPHCPSA-N 1 0 337.445 2.660 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000298625130 311009078 /nfs/dbraw/zinc/00/90/78/311009078.db2.gz ALLHMEOZINGHIZ-LLVKDONJSA-N 1 0 325.796 2.852 10 5 EFBERO COc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299377172 311078357 /nfs/dbraw/zinc/07/83/57/311078357.db2.gz GHCSUGMVUXGNNT-HIFRSBDPSA-N 1 0 346.383 2.694 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301081525 311118023 /nfs/dbraw/zinc/11/80/23/311118023.db2.gz LBVMTQWAGSVFHL-LBPRGKRZSA-N 1 0 348.403 2.602 10 5 EFBERO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301232791 311125918 /nfs/dbraw/zinc/12/59/18/311125918.db2.gz KGFGIRDVGPGZDJ-CQSZACIVSA-N 1 0 341.415 2.748 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000301498534 311141021 /nfs/dbraw/zinc/14/10/21/311141021.db2.gz CKISYJVZOJIPRC-CYBMUJFWSA-N 1 0 341.383 2.511 10 5 EFBERO COc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301624774 311148320 /nfs/dbraw/zinc/14/83/20/311148320.db2.gz PKSZKTAZLKHYDQ-TXEJJXNPSA-N 1 0 341.383 2.654 10 5 EFBERO COC(=O)c1cc(NCC[N@@H+]2CCCC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000301685702 311152249 /nfs/dbraw/zinc/15/22/49/311152249.db2.gz LMTZANZZBMQGBL-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301728109 311155288 /nfs/dbraw/zinc/15/52/88/311155288.db2.gz RATMFQXIHOHMCH-ZIAGYGMSSA-N 1 0 339.823 2.674 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000301731483 311155504 /nfs/dbraw/zinc/15/55/04/311155504.db2.gz DTYLLXKLCZNZFR-OAHLLOKOSA-N 1 0 337.395 2.815 10 5 EFBERO COC(=O)c1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301768972 311157454 /nfs/dbraw/zinc/15/74/54/311157454.db2.gz IIWFEIHPKHPEQX-CYBMUJFWSA-N 1 0 347.415 2.835 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301829324 311161064 /nfs/dbraw/zinc/16/10/64/311161064.db2.gz QYOCWKCWHFHFIU-AWEZNQCLSA-N 1 0 337.395 2.815 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301880008 311164488 /nfs/dbraw/zinc/16/44/88/311164488.db2.gz ZMHLUFYIGSUTNA-BYICEURKSA-N 1 0 344.459 2.650 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301935325 311167351 /nfs/dbraw/zinc/16/73/51/311167351.db2.gz QXNRGFNKQASROC-ZDUSSCGKSA-N 1 0 332.408 2.704 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C4CCCCC4)CC3)nn21 ZINC000301991208 311170652 /nfs/dbraw/zinc/17/06/52/311170652.db2.gz MMFRDRDQAXZUOV-UHFFFAOYSA-N 1 0 344.419 2.847 10 5 EFBERO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000302069708 311176113 /nfs/dbraw/zinc/17/61/13/311176113.db2.gz VIHCEJWTDHUNLB-INIZCTEOSA-N 1 0 333.432 2.932 10 5 EFBERO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000302169600 311182089 /nfs/dbraw/zinc/18/20/89/311182089.db2.gz TYZSWDVBPSKOGP-SMDDNHRTSA-N 1 0 333.417 2.941 10 5 EFBERO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330832089 311337383 /nfs/dbraw/zinc/33/73/83/311337383.db2.gz HJAHQZLUAFKCFR-HZPDHXFCSA-N 1 0 349.431 2.652 10 5 EFBERO Cn1c(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000357055008 311902793 /nfs/dbraw/zinc/90/27/93/311902793.db2.gz RAQAKISMHOFVEZ-UHFFFAOYSA-N 1 0 345.334 2.851 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000414997135 312073705 /nfs/dbraw/zinc/07/37/05/312073705.db2.gz HFDHAIOEUBIACW-DUVNUKRYSA-N 1 0 339.386 2.893 10 5 EFBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447794 312140432 /nfs/dbraw/zinc/14/04/32/312140432.db2.gz UOAKBLUONDLGSI-GZMMTYOYSA-N 1 0 346.309 2.733 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415706922 312166667 /nfs/dbraw/zinc/16/66/67/312166667.db2.gz VLRNHNLAYBXFJR-UHFFFAOYSA-N 1 0 332.404 2.934 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(CCO)CCOC1)CCCC2 ZINC000417307849 312206691 /nfs/dbraw/zinc/20/66/91/312206691.db2.gz HMLWIVJGHHKUMZ-ROUUACIJSA-N 1 0 334.416 2.741 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN1CCO)CCCC2 ZINC000417349428 312212665 /nfs/dbraw/zinc/21/26/65/312212665.db2.gz LDGCRFVXEYVCII-PKOBYXMFSA-N 1 0 347.459 2.799 10 5 EFBERO CCOc1ccc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423481888 312422395 /nfs/dbraw/zinc/42/23/95/312422395.db2.gz OQUSLWWJEVBTMY-IINYFYTJSA-N 1 0 329.347 2.641 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494184 312424707 /nfs/dbraw/zinc/42/47/07/312424707.db2.gz RXCWZCSUNKDZQD-RBUKOAKNSA-N 1 0 341.411 2.652 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423952321 312488134 /nfs/dbraw/zinc/48/81/34/312488134.db2.gz IPULVUYJRFBDIV-BBRMVZONSA-N 1 0 349.456 2.678 10 5 EFBERO COc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000432428450 312564702 /nfs/dbraw/zinc/56/47/02/312564702.db2.gz LEOMTRSEOMGICW-UHFFFAOYSA-N 1 0 348.403 2.742 10 5 EFBERO CCC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182009 313130229 /nfs/dbraw/zinc/13/02/29/313130229.db2.gz IONKRDRUZIMCHE-HFQYIWAZSA-N 1 0 331.416 2.989 10 5 EFBERO COc1c(C(=O)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000475255954 313219993 /nfs/dbraw/zinc/21/99/93/313219993.db2.gz PAGOVTLPGKDXSY-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO COC(=O)COc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475724846 313225920 /nfs/dbraw/zinc/22/59/20/313225920.db2.gz WCCKBRFBBDTENG-GJZGRUSLSA-N 1 0 348.399 2.769 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000497515960 315393173 /nfs/dbraw/zinc/39/31/73/315393173.db2.gz PZAKNGRVWNYNDK-QWHCGFSZSA-N 1 0 335.404 2.609 10 5 EFBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000515087268 315591630 /nfs/dbraw/zinc/59/16/30/315591630.db2.gz GVDBNZBNKDGZJK-IAGOWNOFSA-N 1 0 346.408 2.514 10 5 EFBERO COc1cccc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000515499454 315622724 /nfs/dbraw/zinc/62/27/24/315622724.db2.gz NUNTVFFEBCHARB-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000526952015 316310160 /nfs/dbraw/zinc/31/01/60/316310160.db2.gz OGCODPFNUCTWRJ-DYVFJYSZSA-N 1 0 342.399 2.719 10 5 EFBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000532143948 317361638 /nfs/dbraw/zinc/36/16/38/317361638.db2.gz IYSWHDJVTUDDCD-HNNXBMFYSA-N 1 0 348.790 2.676 10 5 EFBERO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000543491857 317851058 /nfs/dbraw/zinc/85/10/58/317851058.db2.gz BVHPVQJEZZJXCO-AWEZNQCLSA-N 1 0 335.404 2.517 10 5 EFBERO COC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702516 317859008 /nfs/dbraw/zinc/85/90/08/317859008.db2.gz YOFUCEPLFQLCBC-MSOLQXFVSA-N 1 0 330.384 2.671 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000555312788 318352642 /nfs/dbraw/zinc/35/26/42/318352642.db2.gz FKFYXAAJPTWLGX-CQSZACIVSA-N 1 0 333.432 2.937 10 5 EFBERO Cc1ccccc1C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000556056523 318376971 /nfs/dbraw/zinc/37/69/71/318376971.db2.gz RASWRNVXXMENDG-HNNXBMFYSA-N 1 0 329.400 2.628 10 5 EFBERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576564 318475927 /nfs/dbraw/zinc/47/59/27/318475927.db2.gz IYSUSDRHKZMWPG-LBPRGKRZSA-N 1 0 346.431 2.902 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561029336 318583752 /nfs/dbraw/zinc/58/37/52/318583752.db2.gz DLYGLFNDTCQHSL-QGZVFWFLSA-N 1 0 332.404 2.819 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652209 318878186 /nfs/dbraw/zinc/87/81/86/318878186.db2.gz VOCIWXUFGMNTRD-ACWOFJMJSA-N 1 0 342.395 2.858 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566245065 319051630 /nfs/dbraw/zinc/05/16/30/319051630.db2.gz BQQAFZGNKBFMHP-KRWDZBQOSA-N 1 0 327.384 2.662 10 5 EFBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000566719830 319104211 /nfs/dbraw/zinc/10/42/11/319104211.db2.gz GXWDBNIMZIQXEL-YOEHRIQHSA-N 1 0 330.384 2.994 10 5 EFBERO CC(C)(C(=O)N1CC2CCC1(C[NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000566745454 319107254 /nfs/dbraw/zinc/10/72/54/319107254.db2.gz VJAQYFIDDHBBSS-UHFFFAOYSA-N 1 0 331.416 2.602 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000567690507 319198409 /nfs/dbraw/zinc/19/84/09/319198409.db2.gz CQXRATWNZKOZSI-KBAYOESNSA-N 1 0 334.416 2.893 10 5 EFBERO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567691418 319198432 /nfs/dbraw/zinc/19/84/32/319198432.db2.gz XAGAAOWCRNNFIS-DZGCQCFKSA-N 1 0 348.399 2.847 10 5 EFBERO [NH3+]C[C@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000568512062 319291257 /nfs/dbraw/zinc/29/12/57/319291257.db2.gz BNQZFSDAMKKHGA-SFHVURJKSA-N 1 0 327.384 2.532 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110486 319349328 /nfs/dbraw/zinc/34/93/28/319349328.db2.gz GQVJTLOPINNRDZ-FRIZHTMISA-N 1 0 342.395 2.858 10 5 EFBERO CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000570571434 319489978 /nfs/dbraw/zinc/48/99/78/319489978.db2.gz IHLYIFSRJGNJLJ-GOSISDBHSA-N 1 0 339.395 2.856 10 5 EFBERO CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571432214 319573940 /nfs/dbraw/zinc/57/39/40/319573940.db2.gz IDEWFAZSJKFUAD-GOSISDBHSA-N 1 0 331.416 2.934 10 5 EFBERO COc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000576398116 320012458 /nfs/dbraw/zinc/01/24/58/320012458.db2.gz CJFUDJBMZZFDKR-UHFFFAOYSA-N 1 0 326.356 2.780 10 5 EFBERO COc1cccc([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000577540608 320120247 /nfs/dbraw/zinc/12/02/47/320120247.db2.gz FMMTWNBZJPVTKU-KBPBESRZSA-N 1 0 337.420 2.905 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578739685 320234473 /nfs/dbraw/zinc/23/44/73/320234473.db2.gz JRSIQKBGCUZHAI-QGZVFWFLSA-N 1 0 329.356 2.557 10 5 EFBERO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181825278 323251966 /nfs/dbraw/zinc/25/19/66/323251966.db2.gz XYADTRWFNFCAAZ-NSHDSACASA-N 1 0 334.401 2.957 10 5 EFBERO CC[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](CC)CC ZINC000579664918 324003410 /nfs/dbraw/zinc/00/34/10/324003410.db2.gz UAWCTJBOEFJBDZ-QGZVFWFLSA-N 1 0 346.431 2.855 10 5 EFBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000581373042 324363423 /nfs/dbraw/zinc/36/34/23/324363423.db2.gz HXNDGFXHGRSIDE-RISCZKNCSA-N 1 0 334.376 2.532 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000124032749 473206560 /nfs/dbraw/zinc/20/65/60/473206560.db2.gz ZHZTWCUJGWPROL-QGZVFWFLSA-N 1 0 327.384 2.936 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128871191 472505754 /nfs/dbraw/zinc/50/57/54/472505754.db2.gz QIMKHYTVZAATTK-IRXDYDNUSA-N 1 0 330.388 2.944 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cs1 ZINC000161410486 473233776 /nfs/dbraw/zinc/23/37/76/473233776.db2.gz LMEPDNYGUNCCAN-LBPRGKRZSA-N 1 0 333.417 2.574 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000124366237 473237866 /nfs/dbraw/zinc/23/78/66/473237866.db2.gz VXWJQKDAKLCXAD-OKILXGFUSA-N 1 0 349.431 2.521 10 5 EFBERO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000095986288 473243702 /nfs/dbraw/zinc/24/37/02/473243702.db2.gz HMZRGKHIUYOPBT-UDFDBXRZSA-N 1 0 340.445 2.773 10 5 EFBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000124514944 473254810 /nfs/dbraw/zinc/25/48/10/473254810.db2.gz CHCQVIIJJAZKRD-MNOVXSKESA-N 1 0 325.796 2.803 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184917183 473273830 /nfs/dbraw/zinc/27/38/30/473273830.db2.gz DKLZCDMUEGQPMK-VXGBXAGGSA-N 1 0 325.384 2.684 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083026649 473313203 /nfs/dbraw/zinc/31/32/03/473313203.db2.gz CEMZIWNTPFONHM-GASCZTMLSA-N 1 0 349.431 2.522 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162237435 473319819 /nfs/dbraw/zinc/31/98/19/473319819.db2.gz OIZZYBLSENKOLB-GXSJLCMTSA-N 1 0 329.194 2.872 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000148552947 473320234 /nfs/dbraw/zinc/32/02/34/473320234.db2.gz STOPUYSJJWXTGO-WDEREUQCSA-N 1 0 325.434 2.815 10 5 EFBERO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000150744904 473345236 /nfs/dbraw/zinc/34/52/36/473345236.db2.gz CKGMPPBHIGKCOT-LBPRGKRZSA-N 1 0 349.387 2.917 10 5 EFBERO C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185156322 473346449 /nfs/dbraw/zinc/34/64/49/473346449.db2.gz CBYOYALJZYMNNR-GFCCVEGCSA-N 1 0 335.379 2.534 10 5 EFBERO C[NH+](C)CCn1cc(Nc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000616057091 469359225 /nfs/dbraw/zinc/35/92/25/469359225.db2.gz MDWBZOZQFSJFTF-UHFFFAOYSA-N 1 0 326.360 2.645 10 5 EFBERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000113197903 473364735 /nfs/dbraw/zinc/36/47/35/473364735.db2.gz JCFYWZVXVOLQCM-LBPRGKRZSA-N 1 0 325.434 2.959 10 5 EFBERO CN1CC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000424195186 477325489 /nfs/dbraw/zinc/32/54/89/477325489.db2.gz XTSGBZMSALNESA-ZDUSSCGKSA-N 1 0 343.383 2.813 10 5 EFBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000599933726 479475150 /nfs/dbraw/zinc/47/51/50/479475150.db2.gz JIGFBZPOTQAJGK-JKSUJKDBSA-N 1 0 334.420 2.655 10 5 EFBERO C[N+]1(C)CCC[C@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000002034814 471400574 /nfs/dbraw/zinc/40/05/74/471400574.db2.gz CQRKVVAGMJJJSR-IBGZPJMESA-N 1 0 340.443 2.705 10 5 in-man EFBERO CC[NH+](CC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000006325214 471540198 /nfs/dbraw/zinc/54/01/98/471540198.db2.gz JFKDJUNYIRKDAI-UHFFFAOYSA-N 1 0 339.395 2.930 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816872 471640181 /nfs/dbraw/zinc/64/01/81/471640181.db2.gz NPNKEMVBRUECBA-QGZVFWFLSA-N 1 0 327.384 2.556 10 5 EFBERO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000008351877 471683861 /nfs/dbraw/zinc/68/38/61/471683861.db2.gz ULMFCZWQDZVQDX-AWEZNQCLSA-N 1 0 349.431 2.988 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000087324254 472325701 /nfs/dbraw/zinc/32/57/01/472325701.db2.gz MLDXQJONWFSBLY-PBHICJAKSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Cl)c1 ZINC000097033146 472414659 /nfs/dbraw/zinc/41/46/59/472414659.db2.gz YFMBXMFTGKYAFV-JTQLQIEISA-N 1 0 339.754 2.900 10 5 EFBERO Cc1ccc(C)n1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032510066 472442490 /nfs/dbraw/zinc/44/24/90/472442490.db2.gz MTOODUKVTRDVNF-UHFFFAOYSA-N 1 0 328.416 2.835 10 5 EFBERO CC(C)C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000032760669 472463806 /nfs/dbraw/zinc/46/38/06/472463806.db2.gz FGBWAHUPNNUVPG-AWEZNQCLSA-N 1 0 334.420 2.616 10 5 EFBERO C[NH+]1CCN(CCCSc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000097164259 472470815 /nfs/dbraw/zinc/47/08/15/472470815.db2.gz CBKSHSRJQSLTKA-UHFFFAOYSA-N 1 0 329.853 2.978 10 5 EFBERO CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000032837532 472473607 /nfs/dbraw/zinc/47/36/07/472473607.db2.gz OJYRGWXSUQJMPD-UHFFFAOYSA-N 1 0 345.403 2.508 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925931 472547601 /nfs/dbraw/zinc/54/76/01/472547601.db2.gz VTCDSERGGCPBBK-GUYCJALGSA-N 1 0 344.415 2.835 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000155486640 472556425 /nfs/dbraw/zinc/55/64/25/472556425.db2.gz WJNYBVKVXMYILK-PWSUYJOCSA-N 1 0 325.796 2.707 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155675916 472593251 /nfs/dbraw/zinc/59/32/51/472593251.db2.gz OVOMCVSNTXARIM-GWCFXTLKSA-N 1 0 325.796 2.707 10 5 EFBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000119883677 472597520 /nfs/dbraw/zinc/59/75/20/472597520.db2.gz DTALBEBTDQRBBH-OLZOCXBDSA-N 1 0 344.415 2.926 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058888151 472609416 /nfs/dbraw/zinc/60/94/16/472609416.db2.gz LTJCBDXKUHRNCX-LBPRGKRZSA-N 1 0 330.388 2.680 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058959376 472616583 /nfs/dbraw/zinc/61/65/83/472616583.db2.gz OKDGSSLFYWFPNB-UHFFFAOYSA-N 1 0 333.432 2.718 10 5 EFBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1cccc(F)c1 ZINC000090551472 472632871 /nfs/dbraw/zinc/63/28/71/472632871.db2.gz BXTLMBXDNJNSJL-ACJLOTCBSA-N 1 0 345.374 2.979 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046989656 472635614 /nfs/dbraw/zinc/63/56/14/472635614.db2.gz FGCRMLNUKLPDFW-ZDUSSCGKSA-N 1 0 334.420 2.683 10 5 EFBERO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000120193816 472647050 /nfs/dbraw/zinc/64/70/50/472647050.db2.gz MGPQWGVIOMLAHU-MRXNPFEDSA-N 1 0 341.415 2.794 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090685099 472652587 /nfs/dbraw/zinc/65/25/87/472652587.db2.gz GCIKUZPBDUEFKG-IRXDYDNUSA-N 1 0 346.431 2.926 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047143054 472659599 /nfs/dbraw/zinc/65/95/99/472659599.db2.gz ILLVROPEIFTEPR-CYBMUJFWSA-N 1 0 337.445 2.678 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047143056 472659962 /nfs/dbraw/zinc/65/99/62/472659962.db2.gz ILLVROPEIFTEPR-ZDUSSCGKSA-N 1 0 337.445 2.678 10 5 EFBERO CC1CC[NH+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000120316056 472667227 /nfs/dbraw/zinc/66/72/27/472667227.db2.gz CPGYGNIELUTMRG-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047323315 472688711 /nfs/dbraw/zinc/68/87/11/472688711.db2.gz FJYWGLGFYWHXSP-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000078307428 472693480 /nfs/dbraw/zinc/69/34/80/472693480.db2.gz GGICLYHSWHXMNZ-OAHLLOKOSA-N 1 0 341.415 2.612 10 5 EFBERO Cc1cnc(NCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000078632085 472746438 /nfs/dbraw/zinc/74/64/38/472746438.db2.gz HANLMQNBNUOLGO-UHFFFAOYSA-N 1 0 330.388 2.851 10 5 EFBERO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000091457338 472768308 /nfs/dbraw/zinc/76/83/08/472768308.db2.gz MEDZULMGMRIHHT-CYBMUJFWSA-N 1 0 335.404 2.834 10 5 EFBERO CCOCC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000105838329 472787123 /nfs/dbraw/zinc/78/71/23/472787123.db2.gz RHCTWHGJZGOPFO-QGZVFWFLSA-N 1 0 335.448 2.570 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000105887255 472797690 /nfs/dbraw/zinc/79/76/90/472797690.db2.gz MUOUKQFUQPGDFU-UHFFFAOYSA-N 1 0 330.388 2.582 10 5 EFBERO Cc1cnc(CCN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000157338211 472809527 /nfs/dbraw/zinc/80/95/27/472809527.db2.gz COKHQVSVSROPNZ-GFCCVEGCSA-N 1 0 348.428 2.861 10 5 EFBERO CCn1cnnc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000105928658 472811133 /nfs/dbraw/zinc/81/11/33/472811133.db2.gz RBSCTZORPZQWCS-UHFFFAOYSA-N 1 0 329.404 2.894 10 5 EFBERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000157417093 472818555 /nfs/dbraw/zinc/81/85/55/472818555.db2.gz GNHJQCCPWCTCNO-UHFFFAOYSA-N 1 0 348.428 2.863 10 5 EFBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000157821761 472862479 /nfs/dbraw/zinc/86/24/79/472862479.db2.gz QEYYBVKEKWAEHR-HZMBPMFUSA-N 1 0 342.237 2.739 10 5 EFBERO COc1ccccc1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157911992 472872894 /nfs/dbraw/zinc/87/28/94/472872894.db2.gz LTRFQOLTIGDELK-UHFFFAOYSA-N 1 0 344.415 2.755 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000073869899 472891896 /nfs/dbraw/zinc/89/18/96/472891896.db2.gz GHXIVQUXSWTEKK-UHFFFAOYSA-N 1 0 330.363 2.841 10 5 EFBERO Cc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000049073227 472929533 /nfs/dbraw/zinc/92/95/33/472929533.db2.gz NYTRSIXVLAHIAS-UHFFFAOYSA-N 1 0 331.416 2.851 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134607117 472937242 /nfs/dbraw/zinc/93/72/42/472937242.db2.gz LFSRDTVAVMFGEW-NSHDSACASA-N 1 0 325.796 2.852 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107528497 472961602 /nfs/dbraw/zinc/96/16/02/472961602.db2.gz COWRAFMSGOCPPF-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528494 472962050 /nfs/dbraw/zinc/96/20/50/472962050.db2.gz COWRAFMSGOCPPF-INIZCTEOSA-N 1 0 331.416 2.994 10 5 EFBERO O=C(NCC[N@H+](CC1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000065592475 472983805 /nfs/dbraw/zinc/98/38/05/472983805.db2.gz JBIUCKXEYAMONA-UHFFFAOYSA-N 1 0 337.807 2.852 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000122340520 473003320 /nfs/dbraw/zinc/00/33/20/473003320.db2.gz ZBKQNUCXZUNTRP-HUUCEWRRSA-N 1 0 349.431 2.541 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000122340734 473003519 /nfs/dbraw/zinc/00/35/19/473003519.db2.gz ZBKQNUCXZUNTRP-LSDHHAIUSA-N 1 0 349.431 2.541 10 5 EFBERO Cc1ccnc(Nc2cnn(CC[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000092978266 473016989 /nfs/dbraw/zinc/01/69/89/473016989.db2.gz DHDJRDVMSMDISB-UHFFFAOYSA-N 1 0 330.392 2.724 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011112 473026991 /nfs/dbraw/zinc/02/69/91/473026991.db2.gz MUGATZJQVJDWPK-SUQGKYDKSA-N 1 0 345.443 2.795 10 5 EFBERO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000080648488 473062651 /nfs/dbraw/zinc/06/26/51/473062651.db2.gz LCHVRYNNILLLKV-YXJHDRRASA-N 1 0 331.416 2.662 10 5 EFBERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902455 473097642 /nfs/dbraw/zinc/09/76/42/473097642.db2.gz UJWNXXPXGVGMND-SCLBCKFNSA-N 1 0 349.431 2.700 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000123117809 473099541 /nfs/dbraw/zinc/09/95/41/473099541.db2.gz BKDXIBZXJWUYPL-KCXAZCMYSA-N 1 0 335.404 2.859 10 5 EFBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c2ccncc21 ZINC000052308815 473100627 /nfs/dbraw/zinc/10/06/27/473100627.db2.gz FYNZJVBIQMEKMD-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EFBERO Cc1c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751175 473117328 /nfs/dbraw/zinc/11/73/28/473117328.db2.gz ZYHVBMVMQJVVQI-GOSISDBHSA-N 1 0 346.475 2.505 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000160419801 473120841 /nfs/dbraw/zinc/12/08/41/473120841.db2.gz DAAYMNFBDTVYIX-QMTHXVAHSA-N 1 0 341.358 2.675 10 5 EFBERO CNc1ccc(C[NH2+]CCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000075126703 473133443 /nfs/dbraw/zinc/13/34/43/473133443.db2.gz NOJPILGTLRRRNV-UHFFFAOYSA-N 1 0 334.420 2.519 10 5 EFBERO Cc1c(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000160572573 473145113 /nfs/dbraw/zinc/14/51/13/473145113.db2.gz HOCMVUUXSIVYOD-MRXNPFEDSA-N 1 0 333.432 2.682 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000094081166 473174494 /nfs/dbraw/zinc/17/44/94/473174494.db2.gz IWAFNEYEKJSMDL-UHFFFAOYSA-N 1 0 345.403 2.530 10 5 EFBERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050192 473192485 /nfs/dbraw/zinc/19/24/85/473192485.db2.gz XQQGMZHNAXQTKC-SJORKVTESA-N 1 0 344.415 2.724 10 5 EFBERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000177544814 473397054 /nfs/dbraw/zinc/39/70/54/473397054.db2.gz IEDAXHWOYAIHQW-NWDGAFQWSA-N 1 0 330.388 2.679 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185365052 473407604 /nfs/dbraw/zinc/40/76/04/473407604.db2.gz NUMQIMWFRXDORM-OAHLLOKOSA-N 1 0 337.420 2.571 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000185544469 473454158 /nfs/dbraw/zinc/45/41/58/473454158.db2.gz HHIXJMBJJARPKS-IJEWVQPXSA-N 1 0 333.432 2.715 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000185768773 473509865 /nfs/dbraw/zinc/50/98/65/473509865.db2.gz SANLXZZNUZKMAL-ABDJAZHISA-N 1 0 329.400 2.695 10 5 EFBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152422997 473560589 /nfs/dbraw/zinc/56/05/89/473560589.db2.gz CDMLIRSSASXZBD-CQSZACIVSA-N 1 0 327.388 2.901 10 5 EFBERO CCC[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](C)C ZINC000126976847 473564938 /nfs/dbraw/zinc/56/49/38/473564938.db2.gz CPGBXGZSBOYBCQ-CQSZACIVSA-N 1 0 331.376 2.654 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127601358 473631012 /nfs/dbraw/zinc/63/10/12/473631012.db2.gz PCYRXZDDCAZSIB-UHFFFAOYSA-N 1 0 346.391 2.614 10 5 EFBERO CCOCC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000153720418 473638803 /nfs/dbraw/zinc/63/88/03/473638803.db2.gz OLWIKDIUTVNCAV-ZDUSSCGKSA-N 1 0 342.827 2.580 10 5 EFBERO Cn1cc([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116318950 473651278 /nfs/dbraw/zinc/65/12/78/473651278.db2.gz BPEQBJKGBHHZOM-AWEZNQCLSA-N 1 0 330.388 2.587 10 5 EFBERO Cn1c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2sc1=O ZINC000192481212 473684104 /nfs/dbraw/zinc/68/41/04/473684104.db2.gz VGOQXGPJODDCMV-UHFFFAOYSA-N 1 0 329.381 2.798 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186671553 473721574 /nfs/dbraw/zinc/72/15/74/473721574.db2.gz KVUYRDLIMROORK-GFCCVEGCSA-N 1 0 337.445 2.873 10 5 EFBERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173403607 473826996 /nfs/dbraw/zinc/82/69/96/473826996.db2.gz YSETUKZRDSJKCN-RDTXWAMCSA-N 1 0 341.411 2.945 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173655807 473905997 /nfs/dbraw/zinc/90/59/97/473905997.db2.gz PRMXZLHZXYJULM-HNNXBMFYSA-N 1 0 346.387 2.553 10 5 EFBERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654239 473906934 /nfs/dbraw/zinc/90/69/34/473906934.db2.gz NECUXBOMNGCQRC-GOEBONIOSA-N 1 0 348.403 2.535 10 5 EFBERO NC(=O)c1coc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723386 473908731 /nfs/dbraw/zinc/90/87/31/473908731.db2.gz GDWCPMVZTMWSEL-LRDDRELGSA-N 1 0 343.383 2.788 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985391 474023873 /nfs/dbraw/zinc/02/38/73/474023873.db2.gz JWHNRUZRJFNWGH-GUYCJALGSA-N 1 0 349.431 2.623 10 5 EFBERO CC[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181560029 474048010 /nfs/dbraw/zinc/04/80/10/474048010.db2.gz QAWAJDWTWVSSQW-INIZCTEOSA-N 1 0 331.416 2.940 10 5 EFBERO CC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561129 474048723 /nfs/dbraw/zinc/04/87/23/474048723.db2.gz ICLIGAXIKDRREG-WBVHZDCISA-N 1 0 334.372 2.806 10 5 EFBERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000188304478 474052043 /nfs/dbraw/zinc/05/20/43/474052043.db2.gz QUOGAXHPABVMES-GUYCJALGSA-N 1 0 344.415 2.852 10 5 EFBERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000188304454 474052898 /nfs/dbraw/zinc/05/28/98/474052898.db2.gz QUOGAXHPABVMES-DYVFJYSZSA-N 1 0 344.415 2.852 10 5 EFBERO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275131616 474080477 /nfs/dbraw/zinc/08/04/77/474080477.db2.gz BYGSJUKXMDZJSW-IUCAKERBSA-N 1 0 337.767 2.649 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000282506664 474092000 /nfs/dbraw/zinc/09/20/00/474092000.db2.gz RNDBFUGRHLHDOD-IBGZPJMESA-N 1 0 344.411 2.647 10 5 EFBERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869565 474108535 /nfs/dbraw/zinc/10/85/35/474108535.db2.gz LNACADRCSKEFNX-ZFWWWQNUSA-N 1 0 330.388 2.678 10 5 EFBERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869554 474108587 /nfs/dbraw/zinc/10/85/87/474108587.db2.gz LNACADRCSKEFNX-HIFRSBDPSA-N 1 0 330.388 2.678 10 5 EFBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247307151 474114659 /nfs/dbraw/zinc/11/46/59/474114659.db2.gz QDHQRRMJUOURDZ-YVEFUNNKSA-N 1 0 342.399 2.632 10 5 EFBERO COc1cc(CN[C@H](C)c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000275241680 474116177 /nfs/dbraw/zinc/11/61/77/474116177.db2.gz XFWMYCRZYBIUKR-MRVPVSSYSA-N 1 0 342.302 2.779 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000182177387 474116312 /nfs/dbraw/zinc/11/63/12/474116312.db2.gz XJXFRFMSKHJETK-OAGGEKHMSA-N 1 0 334.416 2.989 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282789280 474196821 /nfs/dbraw/zinc/19/68/21/474196821.db2.gz PJIDKCBQCOPIJL-CQSZACIVSA-N 1 0 336.436 2.509 10 5 EFBERO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265516392 474240886 /nfs/dbraw/zinc/24/08/86/474240886.db2.gz RWRVLMCOHHWLHY-UHFFFAOYSA-N 1 0 343.387 2.526 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175543883 474246501 /nfs/dbraw/zinc/24/65/01/474246501.db2.gz BJYAVGBABLALSB-LLVKDONJSA-N 1 0 325.796 2.805 10 5 EFBERO C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413776 474260174 /nfs/dbraw/zinc/26/01/74/474260174.db2.gz AMHQBLUIMOGWTJ-PXAZEXFGSA-N 1 0 337.395 2.985 10 5 EFBERO CC[NH2+]Cc1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237044066 474326191 /nfs/dbraw/zinc/32/61/91/474326191.db2.gz ZXTOBFYRSWNGPJ-UHFFFAOYSA-N 1 0 342.399 2.779 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275842704 474337322 /nfs/dbraw/zinc/33/73/22/474337322.db2.gz HEJDSYBVCZHPFM-QWHCGFSZSA-N 1 0 337.807 2.913 10 5 EFBERO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953875 474347308 /nfs/dbraw/zinc/34/73/08/474347308.db2.gz YNPYAAKUFJMRNH-ZBFHGGJFSA-N 1 0 334.420 2.829 10 5 EFBERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175953442 474348149 /nfs/dbraw/zinc/34/81/49/474348149.db2.gz QUHVYDULXAFACE-ZFWWWQNUSA-N 1 0 334.420 2.748 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)C(C)C ZINC000275881617 474349866 /nfs/dbraw/zinc/34/98/66/474349866.db2.gz PVSCOOQJIQSGAR-UHFFFAOYSA-N 1 0 327.812 2.969 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248563572 474358009 /nfs/dbraw/zinc/35/80/09/474358009.db2.gz KCLYPPAFFGTAII-MQIPJXDCSA-N 1 0 337.395 2.682 10 5 EFBERO CC[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176138345 474392589 /nfs/dbraw/zinc/39/25/89/474392589.db2.gz ZBPRTJDHTDCPIU-MLGOLLRUSA-N 1 0 334.420 2.828 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000265942501 474395098 /nfs/dbraw/zinc/39/50/98/474395098.db2.gz IFTFJNGYYRAHQC-WCQYABFASA-N 1 0 331.372 2.896 10 5 EFBERO CCc1csc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176223000 474414058 /nfs/dbraw/zinc/41/40/58/474414058.db2.gz ZGUVJMTYMLIWEG-LBPRGKRZSA-N 1 0 335.433 2.690 10 5 EFBERO CN(CC1([NH+](C)C)CCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189517299 474427499 /nfs/dbraw/zinc/42/74/99/474427499.db2.gz RGJWJIRRXLFVBB-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO Cn1cc(C[NH2+]CC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237919934 474503269 /nfs/dbraw/zinc/50/32/69/474503269.db2.gz DZFBBCKBWCIUEZ-MRXNPFEDSA-N 1 0 330.388 2.654 10 5 EFBERO Cc1cccc(NC[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000266863920 474509190 /nfs/dbraw/zinc/50/91/90/474509190.db2.gz XXAFJSLPGKVPSH-AWEZNQCLSA-N 1 0 327.388 2.940 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249380242 474563533 /nfs/dbraw/zinc/56/35/33/474563533.db2.gz PZSBVLPFZJYBEC-NEPJUHHUSA-N 1 0 348.321 2.609 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249535572 474588510 /nfs/dbraw/zinc/58/85/10/474588510.db2.gz CJIGNDQIGZGFDS-FZKQIMNGSA-N 1 0 349.431 2.715 10 5 EFBERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277955818 474599294 /nfs/dbraw/zinc/59/92/94/474599294.db2.gz TUWAXQNWIAHDMV-CYBMUJFWSA-N 1 0 335.407 2.918 10 5 EFBERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249684156 474603531 /nfs/dbraw/zinc/60/35/31/474603531.db2.gz CWXCNFMGEFDQFZ-ZIAGYGMSSA-N 1 0 334.420 2.829 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184790504 474608642 /nfs/dbraw/zinc/60/86/42/474608642.db2.gz NWHZSQCRJQTYFP-YXJHDRRASA-N 1 0 345.443 2.859 10 5 EFBERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279104 474609586 /nfs/dbraw/zinc/60/95/86/474609586.db2.gz JSJPCFMYECZKGF-RRQGHBQHSA-N 1 0 336.432 2.720 10 5 EFBERO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000291630882 474636804 /nfs/dbraw/zinc/63/68/04/474636804.db2.gz BMHDRXFCQHNHCS-LBPRGKRZSA-N 1 0 329.404 2.782 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251651608 474641409 /nfs/dbraw/zinc/64/14/09/474641409.db2.gz JHNYDAQNZGVFJJ-GVDBMIGSSA-N 1 0 330.388 2.598 10 5 EFBERO C[NH+]1CCC(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000291708357 474655098 /nfs/dbraw/zinc/65/50/98/474655098.db2.gz PRUYCLGDKQJIJG-UHFFFAOYSA-N 1 0 339.823 2.639 10 5 EFBERO COc1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252477368 474662350 /nfs/dbraw/zinc/66/23/50/474662350.db2.gz MQMACDRHCXUVHG-FVQBIDKESA-N 1 0 349.431 2.905 10 5 EFBERO CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000291787263 474686976 /nfs/dbraw/zinc/68/69/76/474686976.db2.gz CWYGASVNYKTNPF-GJZGRUSLSA-N 1 0 332.429 2.625 10 5 EFBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000284618384 474691911 /nfs/dbraw/zinc/69/19/11/474691911.db2.gz SSASOYIYCSKJTO-KGLIPLIRSA-N 1 0 345.321 2.523 10 5 EFBERO CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291885749 474734845 /nfs/dbraw/zinc/73/48/45/474734845.db2.gz QMCHSHVZLAHRBD-LBPRGKRZSA-N 1 0 341.795 2.686 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337177409 474759471 /nfs/dbraw/zinc/75/94/71/474759471.db2.gz OWJOTBUBHCLTKU-GJZGRUSLSA-N 1 0 347.415 2.672 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278683420 474776030 /nfs/dbraw/zinc/77/60/30/474776030.db2.gz RUIVMLWRRYHQIO-INIZCTEOSA-N 1 0 343.387 2.792 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273214974 474780156 /nfs/dbraw/zinc/78/01/56/474780156.db2.gz HHWALKXESJFTDZ-DCVVVBLRSA-N 1 0 329.400 2.741 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000255121007 474807111 /nfs/dbraw/zinc/80/71/11/474807111.db2.gz MUGATZJQVJDWPK-YEODSOHDSA-N 1 0 345.443 2.795 10 5 EFBERO COCCC[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268148054 474826010 /nfs/dbraw/zinc/82/60/10/474826010.db2.gz JVBPUHBEEGGDIH-UHFFFAOYSA-N 1 0 341.383 2.655 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229815 474878712 /nfs/dbraw/zinc/87/87/12/474878712.db2.gz FVSRFDNKSDOPDE-FUHWJXTLSA-N 1 0 346.431 2.783 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609257830 480132040 /nfs/dbraw/zinc/13/20/40/480132040.db2.gz GURNBSWIJKARLX-INIZCTEOSA-N 1 0 330.388 2.897 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000273474139 474918131 /nfs/dbraw/zinc/91/81/31/474918131.db2.gz PAZUTYSOGSPSIG-IAQYHMDHSA-N 1 0 338.383 2.928 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062847 474932723 /nfs/dbraw/zinc/93/27/23/474932723.db2.gz QHACWVISJYAAKD-GASCZTMLSA-N 1 0 349.431 2.743 10 5 EFBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322120822 474935262 /nfs/dbraw/zinc/93/52/62/474935262.db2.gz REZDYPXXRBKUDZ-SMDDNHRTSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322112368 474935322 /nfs/dbraw/zinc/93/53/22/474935322.db2.gz PAPPTSBMRDHTNM-SMDDNHRTSA-N 1 0 337.807 2.852 10 5 EFBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322112366 474935725 /nfs/dbraw/zinc/93/57/25/474935725.db2.gz PAPPTSBMRDHTNM-RISCZKNCSA-N 1 0 337.807 2.852 10 5 EFBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107262 474980392 /nfs/dbraw/zinc/98/03/92/474980392.db2.gz HHJIFLAFFNGVEN-OKILXGFUSA-N 1 0 334.420 2.657 10 5 EFBERO CNc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000327373131 475019842 /nfs/dbraw/zinc/01/98/42/475019842.db2.gz SJXQUBQEHRZATP-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261682412 475023605 /nfs/dbraw/zinc/02/36/05/475023605.db2.gz QPTGBKHJCODXQD-BTOWRCTQSA-N 1 0 337.807 2.884 10 5 EFBERO Cc1cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000328494492 475029836 /nfs/dbraw/zinc/02/98/36/475029836.db2.gz PGCORQBDLAUXHN-ZDUSSCGKSA-N 1 0 325.368 2.681 10 5 EFBERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000339265266 475099300 /nfs/dbraw/zinc/09/93/00/475099300.db2.gz OYEIISPIWRZNFN-GFCCVEGCSA-N 1 0 328.372 2.542 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000262142222 475183017 /nfs/dbraw/zinc/18/30/17/475183017.db2.gz DZPOIJIEIVXGJG-CQSZACIVSA-N 1 0 333.413 2.811 10 5 EFBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cccc21 ZINC000345528030 475241684 /nfs/dbraw/zinc/24/16/84/475241684.db2.gz USGDWVBYACJHMY-CYBMUJFWSA-N 1 0 330.344 2.560 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262454036 475244086 /nfs/dbraw/zinc/24/40/86/475244086.db2.gz GSPGRYNMNPKOQD-NXHRZFHOSA-N 1 0 345.443 2.954 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000347354070 475259407 /nfs/dbraw/zinc/25/94/07/475259407.db2.gz GECHJGJEGCRUBI-APEZIOSESA-N 1 0 345.443 2.795 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000345550619 475259511 /nfs/dbraw/zinc/25/95/11/475259511.db2.gz WWOCSWVYZOONEH-CYBMUJFWSA-N 1 0 337.420 2.844 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CC(F)F)CC2CCC2)c1 ZINC000341748775 475270782 /nfs/dbraw/zinc/27/07/82/475270782.db2.gz BQWFHFPDKAMUGW-AWEZNQCLSA-N 1 0 344.358 2.702 10 5 EFBERO Cn1c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345569620 475274406 /nfs/dbraw/zinc/27/44/06/475274406.db2.gz OAZFDKRZTXQGED-CYBMUJFWSA-N 1 0 344.371 2.571 10 5 EFBERO CNc1c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361212376 475274397 /nfs/dbraw/zinc/27/43/97/475274397.db2.gz MVYHPZMTRJQSKD-CHWSQXEVSA-N 1 0 334.420 2.629 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1n1cccn1 ZINC000339598962 475336163 /nfs/dbraw/zinc/33/61/63/475336163.db2.gz RLYYKJLKIAEEHS-BBWFWOEESA-N 1 0 330.388 2.608 10 5 EFBERO CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000361383871 475403627 /nfs/dbraw/zinc/40/36/27/475403627.db2.gz AGLJXDYLAXFRFJ-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCN1c1cccnn1 ZINC000352617520 475462630 /nfs/dbraw/zinc/46/26/30/475462630.db2.gz DTZVUHBFPVOBDN-HNNXBMFYSA-N 1 0 345.378 2.625 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296792890 475479870 /nfs/dbraw/zinc/47/98/70/475479870.db2.gz BSBTXWAPMRJQAQ-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000296833610 475497126 /nfs/dbraw/zinc/49/71/26/475497126.db2.gz FAQZHUADHXMRKV-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000342014368 475505051 /nfs/dbraw/zinc/50/50/51/475505051.db2.gz HEWGPIPZJCUXDD-AWEZNQCLSA-N 1 0 338.404 2.609 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000342024808 475514080 /nfs/dbraw/zinc/51/40/80/475514080.db2.gz ULGQHZVABYIHPN-KBXCAEBGSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000342024822 475514145 /nfs/dbraw/zinc/51/41/45/475514145.db2.gz ULGQHZVABYIHPN-KSSFIOAISA-N 1 0 347.415 2.733 10 5 EFBERO NC(=O)CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000354921778 475522661 /nfs/dbraw/zinc/52/26/61/475522661.db2.gz ANVIYCMAKYRXMD-UHFFFAOYSA-N 1 0 329.356 2.743 10 5 EFBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249295 475522957 /nfs/dbraw/zinc/52/29/57/475522957.db2.gz WJNDHSSIFDROMD-QKCSRTOESA-N 1 0 348.321 2.607 10 5 EFBERO COc1c[nH+]ccc1N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532765 475525135 /nfs/dbraw/zinc/52/51/35/475525135.db2.gz YXWOMXRTAWPYHF-CQSZACIVSA-N 1 0 342.399 2.882 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342049881 475533701 /nfs/dbraw/zinc/53/37/01/475533701.db2.gz QDFXTPSKFLWSEX-OAHLLOKOSA-N 1 0 349.431 2.859 10 5 EFBERO CC[NH+](CC)CCSc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297039833 475585739 /nfs/dbraw/zinc/58/57/39/475585739.db2.gz HTSPYHIUQGMMQY-UHFFFAOYSA-N 1 0 326.418 2.744 10 5 EFBERO COC[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000358439904 475680849 /nfs/dbraw/zinc/68/08/49/475680849.db2.gz YKPNTASZUUUFHY-QZTJIDSGSA-N 1 0 330.384 2.935 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207472 475743840 /nfs/dbraw/zinc/74/38/40/475743840.db2.gz OCUFMGPFEZZYKO-KBPBESRZSA-N 1 0 348.399 2.710 10 5 EFBERO NC(=O)CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000361796618 475761034 /nfs/dbraw/zinc/76/10/34/475761034.db2.gz HGCCWSQGRIYHBE-UHFFFAOYSA-N 1 0 346.412 2.606 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1cccnc1)CCC2 ZINC000348643816 475798287 /nfs/dbraw/zinc/79/82/87/475798287.db2.gz OWLXYRRFPBEGBN-CRAIPNDOSA-N 1 0 327.384 2.733 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353326368 475871836 /nfs/dbraw/zinc/87/18/36/475871836.db2.gz BZEDXRGGEZBIDH-AWEZNQCLSA-N 1 0 341.358 2.865 10 5 EFBERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297932948 475928369 /nfs/dbraw/zinc/92/83/69/475928369.db2.gz VDGSVBCLKAJBGF-AOOOYVTPSA-N 1 0 345.321 2.778 10 5 EFBERO CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000358785786 475935531 /nfs/dbraw/zinc/93/55/31/475935531.db2.gz NUVRVZUTVZPJPT-NSHDSACASA-N 1 0 335.433 2.915 10 5 EFBERO CCOC(=O)CC(C)(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346961724 475993676 /nfs/dbraw/zinc/99/36/76/475993676.db2.gz KXYZBVVMYZZVCJ-UHFFFAOYSA-N 1 0 335.404 2.717 10 5 EFBERO CCc1noc(C)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440090 476036910 /nfs/dbraw/zinc/03/69/10/476036910.db2.gz NXHMANNVHMBDDC-LSDHHAIUSA-N 1 0 333.392 2.924 10 5 EFBERO C[C@]12CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]1C2(F)F ZINC000298325579 476056262 /nfs/dbraw/zinc/05/62/62/476056262.db2.gz RCTUVTWBYJWPNM-HIFRSBDPSA-N 1 0 340.326 2.938 10 5 EFBERO CC[C@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340508870 476073686 /nfs/dbraw/zinc/07/36/86/476073686.db2.gz QIDRSRJDBHKUEQ-GFCCVEGCSA-N 1 0 343.309 2.774 10 5 EFBERO O=C([C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564677 476082689 /nfs/dbraw/zinc/08/26/89/476082689.db2.gz DJUBUSYGYQFYKA-AFCDSYGPSA-N 1 0 343.427 2.942 10 5 EFBERO C[N@H+](Cc1ccccc1)C1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000343637169 476095569 /nfs/dbraw/zinc/09/55/69/476095569.db2.gz XTIIFTACLBLGJS-UHFFFAOYSA-N 1 0 337.383 2.792 10 5 EFBERO Cn1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000338710565 476125368 /nfs/dbraw/zinc/12/53/68/476125368.db2.gz WBPREPXVCRMKFB-UHFFFAOYSA-N 1 0 326.356 2.921 10 5 EFBERO CC(C)[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000356740186 476126588 /nfs/dbraw/zinc/12/65/88/476126588.db2.gz JVGZRLXGLYJPGK-GFCCVEGCSA-N 1 0 344.209 2.882 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000359099854 476187557 /nfs/dbraw/zinc/18/75/57/476187557.db2.gz ONNRJWGIWPFZKO-UHFFFAOYSA-N 1 0 345.403 2.554 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000347293088 476236698 /nfs/dbraw/zinc/23/66/98/476236698.db2.gz SMEHMILVDYTVJY-HNNXBMFYSA-N 1 0 347.415 2.740 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000347308632 476248471 /nfs/dbraw/zinc/24/84/71/476248471.db2.gz CYLMDABZKJZNLV-SDNWHVSQSA-N 1 0 331.416 2.798 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000303955661 476252826 /nfs/dbraw/zinc/25/28/26/476252826.db2.gz XDASBWFYVQPPQC-INIZCTEOSA-N 1 0 334.416 2.991 10 5 EFBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)n2)cc1 ZINC000362450312 476261184 /nfs/dbraw/zinc/26/11/84/476261184.db2.gz JPDXXEFDGLSBED-DZGCQCFKSA-N 1 0 344.371 2.646 10 5 EFBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cccs1 ZINC000357218581 476293841 /nfs/dbraw/zinc/29/38/41/476293841.db2.gz HYTIKJNHGLZUHT-IAQYHMDHSA-N 1 0 348.428 2.797 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360666894 476334547 /nfs/dbraw/zinc/33/45/47/476334547.db2.gz SBZHPBWZLNXMQV-QAPCUYQASA-N 1 0 345.443 2.859 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360666895 476334593 /nfs/dbraw/zinc/33/45/93/476334593.db2.gz SBZHPBWZLNXMQV-YJBOKZPZSA-N 1 0 345.443 2.859 10 5 EFBERO COc1cc(Cc2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)ccc1[N+](=O)[O-] ZINC000351258752 476382451 /nfs/dbraw/zinc/38/24/51/476382451.db2.gz CWHOWEWSRPNISP-AAEUAGOBSA-N 1 0 346.387 2.775 10 5 EFBERO CSc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000362764093 476395723 /nfs/dbraw/zinc/39/57/23/476395723.db2.gz YYLHZLAZUYZJMA-LBPRGKRZSA-N 1 0 335.429 2.625 10 5 EFBERO C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000362824842 476427979 /nfs/dbraw/zinc/42/79/79/476427979.db2.gz FLHLVVGDGRLEBI-SNVBAGLBSA-N 1 0 343.374 2.508 10 5 EFBERO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ccncc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000361004725 476536905 /nfs/dbraw/zinc/53/69/05/476536905.db2.gz ZRJVRROTRWMFLN-OKILXGFUSA-N 1 0 342.399 2.765 10 5 EFBERO CC[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363312515 476647599 /nfs/dbraw/zinc/64/75/99/476647599.db2.gz LUOMKWDHGPEPTK-SJORKVTESA-N 1 0 346.431 2.926 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451972865 476753378 /nfs/dbraw/zinc/75/33/78/476753378.db2.gz PKDGVFLTOAKPDG-MRXNPFEDSA-N 1 0 349.337 2.872 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451972864 476753786 /nfs/dbraw/zinc/75/37/86/476753786.db2.gz PKDGVFLTOAKPDG-INIZCTEOSA-N 1 0 349.337 2.872 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375279781 476754196 /nfs/dbraw/zinc/75/41/96/476754196.db2.gz OTPAQLQCOOQFEM-SFHVURJKSA-N 1 0 347.415 2.734 10 5 EFBERO CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000451973401 476756325 /nfs/dbraw/zinc/75/63/25/476756325.db2.gz XDRCKIGNDQAJIA-NWDGAFQWSA-N 1 0 349.387 2.773 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370325990 476756959 /nfs/dbraw/zinc/75/69/59/476756959.db2.gz NMWQENNGDAHOEC-SADTYBKJSA-N 1 0 329.400 2.741 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430287682 476805677 /nfs/dbraw/zinc/80/56/77/476805677.db2.gz YQXKKISRGSYHPF-GFCCVEGCSA-N 1 0 333.388 2.830 10 5 EFBERO CC(C)(C[NH+]1CCCC1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452095460 476818535 /nfs/dbraw/zinc/81/85/35/476818535.db2.gz KVNRZVNABXNLTQ-UHFFFAOYSA-N 1 0 345.403 2.609 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000452094449 476819460 /nfs/dbraw/zinc/81/94/60/476819460.db2.gz WFBVNKBDHXTYQP-KGLIPLIRSA-N 1 0 335.404 2.670 10 5 EFBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457077341 476862220 /nfs/dbraw/zinc/86/22/20/476862220.db2.gz CHWVPDXFLAEULI-AWEZNQCLSA-N 1 0 335.404 2.548 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000370581358 476882251 /nfs/dbraw/zinc/88/22/51/476882251.db2.gz CQBHPTJNASICAL-OAHLLOKOSA-N 1 0 338.367 2.615 10 5 EFBERO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946678 476895537 /nfs/dbraw/zinc/89/55/37/476895537.db2.gz UTIKCZPXVUTQPV-BLLLJJGKSA-N 1 0 345.399 2.951 10 5 EFBERO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+]C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414946879 476895849 /nfs/dbraw/zinc/89/58/49/476895849.db2.gz UTIKCZPXVUTQPV-LRDDRELGSA-N 1 0 345.399 2.951 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000446848054 476927648 /nfs/dbraw/zinc/92/76/48/476927648.db2.gz DODKKWMGYJOEFH-UHFFFAOYSA-N 1 0 334.372 2.665 10 5 EFBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026543 476936871 /nfs/dbraw/zinc/93/68/71/476936871.db2.gz YRRLMNGKEVYHGE-QWHCGFSZSA-N 1 0 342.399 2.775 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415654322 476947588 /nfs/dbraw/zinc/94/75/88/476947588.db2.gz JBRUTBORJQECIB-QGZVFWFLSA-N 1 0 348.403 2.601 10 5 EFBERO CC1(C)CCC[NH2+][C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423162057 476949498 /nfs/dbraw/zinc/94/94/98/476949498.db2.gz KELQIKDUUBSCCF-INIZCTEOSA-N 1 0 333.432 2.812 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423237003 476972595 /nfs/dbraw/zinc/97/25/95/476972595.db2.gz HTRIOZXQOHPGCU-SUMWQHHRSA-N 1 0 342.399 2.602 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375781496 477002923 /nfs/dbraw/zinc/00/29/23/477002923.db2.gz XRRCFPPKQWVSTF-RPVQJOFSSA-N 1 0 344.415 2.977 10 5 EFBERO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548378 477010886 /nfs/dbraw/zinc/01/08/86/477010886.db2.gz HGHLSTOKPVXFAU-OWCLPIDISA-N 1 0 335.452 2.739 10 5 EFBERO C[C@H]1CCC[N@H+](CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447678609 477034042 /nfs/dbraw/zinc/03/40/42/477034042.db2.gz LALVAUUPFCSCSP-ZDUSSCGKSA-N 1 0 331.420 2.817 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](NC[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494185 477047925 /nfs/dbraw/zinc/04/79/25/477047925.db2.gz RXCWZCSUNKDZQD-RTBURBONSA-N 1 0 341.411 2.652 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000447802246 477060772 /nfs/dbraw/zinc/06/07/72/477060772.db2.gz ITGYKKNDQJOKPE-SNVBAGLBSA-N 1 0 341.795 2.929 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000375978755 477112467 /nfs/dbraw/zinc/11/24/67/477112467.db2.gz CZHSEIDOAMIRBF-ZDUSSCGKSA-N 1 0 331.397 2.582 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCN2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271312 477207011 /nfs/dbraw/zinc/20/70/11/477207011.db2.gz TVNDAAMODYHXEC-CRAIPNDOSA-N 1 0 347.459 2.754 10 5 EFBERO O=C(CC[NH2+]C1(CCO)CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411389237 477216153 /nfs/dbraw/zinc/21/61/53/477216153.db2.gz LVINHHXUPPQFJE-UHFFFAOYSA-N 1 0 335.404 2.598 10 5 EFBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448761322 477277388 /nfs/dbraw/zinc/27/73/88/477277388.db2.gz IXAOAFWUOJTDLP-SNVBAGLBSA-N 1 0 345.321 2.685 10 5 EFBERO O=C(CC[N@H+]1CCCCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411690458 477330596 /nfs/dbraw/zinc/33/05/96/477330596.db2.gz ATRMXTGCTWGQPI-HNNXBMFYSA-N 1 0 335.404 2.550 10 5 EFBERO CN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000424319723 477370130 /nfs/dbraw/zinc/37/01/30/477370130.db2.gz HCJBAGGYGPXVBR-UXLLHSPISA-N 1 0 345.443 2.764 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411842904 477390797 /nfs/dbraw/zinc/39/07/97/477390797.db2.gz HNBMAWJFUNNZBC-KRWDZBQOSA-N 1 0 347.415 2.733 10 5 EFBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000367225724 477403592 /nfs/dbraw/zinc/40/35/92/477403592.db2.gz RNDINHMFTJOHOY-XNJGSVPQSA-N 1 0 338.379 2.892 10 5 EFBERO CCOc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000376565316 477406559 /nfs/dbraw/zinc/40/65/59/477406559.db2.gz HSDCUFSDFRFYBH-UHFFFAOYSA-N 1 0 347.415 2.740 10 5 EFBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000376590594 477419030 /nfs/dbraw/zinc/41/90/30/477419030.db2.gz QCMYMFJLBARQQP-UHFFFAOYSA-N 1 0 346.431 2.530 10 5 EFBERO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000413056945 477491324 /nfs/dbraw/zinc/49/13/24/477491324.db2.gz DVARORJRHDDFIJ-UHFFFAOYSA-N 1 0 348.325 2.533 10 5 EFBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419009602 477493311 /nfs/dbraw/zinc/49/33/11/477493311.db2.gz WIPJZUNBGRUFAC-QWRGUYRKSA-N 1 0 347.337 2.505 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427966800 477795770 /nfs/dbraw/zinc/79/57/70/477795770.db2.gz BFKDBEXQCVKTQJ-IUODEOHRSA-N 1 0 335.404 2.859 10 5 EFBERO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(F)(F)F ZINC000451098957 477822873 /nfs/dbraw/zinc/82/28/73/477822873.db2.gz VMGYUYRGKCTXQM-LBPRGKRZSA-N 1 0 342.277 2.851 10 5 EFBERO C[C@]1(F)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451112268 477830659 /nfs/dbraw/zinc/83/06/59/477830659.db2.gz HXRPPEIDJXDMQO-INIZCTEOSA-N 1 0 337.351 2.717 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438478870 477847254 /nfs/dbraw/zinc/84/72/54/477847254.db2.gz AGGWFJKFJAFNNM-QWHCGFSZSA-N 1 0 335.404 2.908 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438509102 477854897 /nfs/dbraw/zinc/85/48/97/477854897.db2.gz XRZWUKZUKVXYOT-CYBMUJFWSA-N 1 0 335.404 2.910 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000451229928 477890092 /nfs/dbraw/zinc/89/00/92/477890092.db2.gz ABXCNGPLNVQGJO-CVEARBPZSA-N 1 0 336.388 2.685 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451339681 477961813 /nfs/dbraw/zinc/96/18/13/477961813.db2.gz ITQIPHMLMFSUQB-KSZLIROESA-N 1 0 334.416 2.989 10 5 EFBERO C[C@@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368206 477977403 /nfs/dbraw/zinc/97/74/03/477977403.db2.gz LBHOPAMDMFHVNS-COJSNBRMSA-N 1 0 327.384 2.677 10 5 EFBERO CC(C)c1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000439533581 477998798 /nfs/dbraw/zinc/99/87/98/477998798.db2.gz CDTHKCUQKFTSTR-QGZVFWFLSA-N 1 0 331.416 2.884 10 5 EFBERO COc1cc2[nH]c(NCc3ccc([N+](=O)[O-])cc3C)[nH+]c2cc1OC ZINC000516949736 478019045 /nfs/dbraw/zinc/01/90/45/478019045.db2.gz BXSOHDLKOACSKK-UHFFFAOYSA-N 1 0 342.355 2.831 10 5 EFBERO CN(CCN1CCOC(C)(C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487767551 478070634 /nfs/dbraw/zinc/07/06/34/478070634.db2.gz GSVDXCASRAKXPB-UHFFFAOYSA-N 1 0 344.415 2.690 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000488753605 478180694 /nfs/dbraw/zinc/18/06/94/478180694.db2.gz RQFMXFFOJAWTBL-ZDUSSCGKSA-N 1 0 347.415 2.692 10 5 EFBERO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451810562 478212003 /nfs/dbraw/zinc/21/20/03/478212003.db2.gz PMGOKZFRAFDZMW-NOZJJQNGSA-N 1 0 341.795 2.590 10 5 EFBERO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451810565 478212374 /nfs/dbraw/zinc/21/23/74/478212374.db2.gz PMGOKZFRAFDZMW-ZANVPECISA-N 1 0 341.795 2.590 10 5 EFBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000570096749 478282718 /nfs/dbraw/zinc/28/27/18/478282718.db2.gz QBSQLNDWXGQMNW-SFHVURJKSA-N 1 0 339.395 2.612 10 5 EFBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227410 478296876 /nfs/dbraw/zinc/29/68/76/478296876.db2.gz BGWJAWWGTNMEPC-KRWDZBQOSA-N 1 0 331.416 2.661 10 5 EFBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228394 478297943 /nfs/dbraw/zinc/29/79/43/478297943.db2.gz KWTUQEGBSWGTPZ-OAHLLOKOSA-N 1 0 346.431 2.530 10 5 EFBERO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600228398 478298694 /nfs/dbraw/zinc/29/86/94/478298694.db2.gz LDIHBASJLGFDFY-OAHLLOKOSA-N 1 0 346.431 2.773 10 5 EFBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600228475 478299411 /nfs/dbraw/zinc/29/94/11/478299411.db2.gz BDGQMRPLJCRYRD-AWEZNQCLSA-N 1 0 335.379 2.871 10 5 EFBERO Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000520409464 478308011 /nfs/dbraw/zinc/30/80/11/478308011.db2.gz KTOAQZZUEVQNHZ-KRWDZBQOSA-N 1 0 325.368 2.602 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537952572 478340100 /nfs/dbraw/zinc/34/01/00/478340100.db2.gz LBDSCTXJPASQBY-CYBMUJFWSA-N 1 0 340.445 2.769 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600468734 478381518 /nfs/dbraw/zinc/38/15/18/478381518.db2.gz HCKOSVJDAPNSJA-HNNXBMFYSA-N 1 0 331.416 2.958 10 5 EFBERO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474572 478384489 /nfs/dbraw/zinc/38/44/89/478384489.db2.gz YXWCJDJZTIQPBZ-MRXNPFEDSA-N 1 0 331.416 2.904 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000570634503 478403181 /nfs/dbraw/zinc/40/31/81/478403181.db2.gz ZEUBARFUSNMMAP-SFHVURJKSA-N 1 0 339.395 2.910 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506536 478418127 /nfs/dbraw/zinc/41/81/27/478418127.db2.gz BDHMDUXAWQZCBC-HOTGVXAUSA-N 1 0 339.395 2.948 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000594590777 478452440 /nfs/dbraw/zinc/45/24/40/478452440.db2.gz AZYHWFMVQHOLLF-JNSHFYNHSA-N 1 0 344.390 2.970 10 5 EFBERO Cc1nc2cc(Cn3c(=O)c([N+](=O)[O-])cc4c3CCCC4)ccc2[nH]1 ZINC000563119165 478452731 /nfs/dbraw/zinc/45/27/31/478452731.db2.gz MXOLZNYRQZENPG-UHFFFAOYSA-N 1 0 338.367 2.868 10 5 EFBERO C[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000597665906 478454355 /nfs/dbraw/zinc/45/43/55/478454355.db2.gz HKBCVXWEGVCPNJ-ZDUSSCGKSA-N 1 0 349.406 2.782 10 5 EFBERO C[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000597665743 478454783 /nfs/dbraw/zinc/45/47/83/478454783.db2.gz FDXNGRYYPVFARQ-AWEZNQCLSA-N 1 0 331.416 2.643 10 5 EFBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628915 478474022 /nfs/dbraw/zinc/47/40/22/478474022.db2.gz PBWBOTLTKMRSSU-UHFFFAOYSA-N 1 0 342.399 2.824 10 5 EFBERO CCc1cc(N2CC3CC2(C[NH3+])C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594699033 478501533 /nfs/dbraw/zinc/50/15/33/478501533.db2.gz OIUSJTRWENYUGW-UHFFFAOYSA-N 1 0 339.399 2.542 10 5 EFBERO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764419 478509598 /nfs/dbraw/zinc/50/95/98/478509598.db2.gz ZYIUNMSIRCAGRH-GFCCVEGCSA-N 1 0 346.374 2.996 10 5 EFBERO Cc1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000591296464 478512853 /nfs/dbraw/zinc/51/28/53/478512853.db2.gz PTKYFNRAWWFHCV-UHFFFAOYSA-N 1 0 332.404 2.901 10 5 EFBERO COC(=O)c1cc(-c2cccc([C@@H]3COCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000600787586 478520129 /nfs/dbraw/zinc/52/01/29/478520129.db2.gz BGDXZEMBMIPXRM-KRWDZBQOSA-N 1 0 342.351 2.709 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597856826 478542091 /nfs/dbraw/zinc/54/20/91/478542091.db2.gz AUWNKCBLMJOHPG-CQSZACIVSA-N 1 0 344.415 2.608 10 5 EFBERO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856844 478542324 /nfs/dbraw/zinc/54/23/24/478542324.db2.gz BFUINLXGWMESLG-AAEUAGOBSA-N 1 0 337.395 2.826 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597857633 478543801 /nfs/dbraw/zinc/54/38/01/478543801.db2.gz HQPXYBSEWKIRSV-OAHLLOKOSA-N 1 0 344.415 2.539 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000597857316 478544406 /nfs/dbraw/zinc/54/44/06/478544406.db2.gz DDIMQXCVDRQZPY-INIZCTEOSA-N 1 0 348.447 2.776 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859281 478544712 /nfs/dbraw/zinc/54/47/12/478544712.db2.gz SQCOPBXOKBPGNW-ZDUSSCGKSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597859095 478544771 /nfs/dbraw/zinc/54/47/71/478544771.db2.gz RUXSOIWVEYDHTF-LBPRGKRZSA-N 1 0 330.388 2.679 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859736 478545809 /nfs/dbraw/zinc/54/58/09/478545809.db2.gz GLEYZWSWFGAJEY-LBPRGKRZSA-N 1 0 335.404 2.596 10 5 EFBERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418919 478555503 /nfs/dbraw/zinc/55/55/03/478555503.db2.gz ROWFEWINFZMGEF-GUYCJALGSA-N 1 0 341.415 2.574 10 5 EFBERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000600961441 478586410 /nfs/dbraw/zinc/58/64/10/478586410.db2.gz QYBPMJSAMQAOPL-ZJUUUORDSA-N 1 0 328.210 2.697 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945064 478590000 /nfs/dbraw/zinc/59/00/00/478590000.db2.gz HKSWIBPRWAZYQU-GFCCVEGCSA-N 1 0 345.321 2.780 10 5 EFBERO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000594948920 478600874 /nfs/dbraw/zinc/60/08/74/478600874.db2.gz BMNZGRASWNZKAB-RDTXWAMCSA-N 1 0 346.383 2.996 10 5 EFBERO CC(C)[N@H+](C)CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600995702 478603080 /nfs/dbraw/zinc/60/30/80/478603080.db2.gz LEZLMQKNIOKYHK-UHFFFAOYSA-N 1 0 333.432 2.863 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000594958061 478604970 /nfs/dbraw/zinc/60/49/70/478604970.db2.gz XZBMMHZLFNBLKK-MRXNPFEDSA-N 1 0 325.368 2.581 10 5 EFBERO Cn1cc(C[NH2+]CC2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594992526 478620170 /nfs/dbraw/zinc/62/01/70/478620170.db2.gz TUGHDLQBKMZKRM-UHFFFAOYSA-N 1 0 344.415 2.636 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000594993292 478621070 /nfs/dbraw/zinc/62/10/70/478621070.db2.gz NBZVGYCUFZORPJ-UKTHLTGXSA-N 1 0 338.429 2.555 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000594995081 478622168 /nfs/dbraw/zinc/62/21/68/478622168.db2.gz ZGYCRGSEOANMIX-UHFFFAOYSA-N 1 0 340.445 2.775 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000598041272 478629201 /nfs/dbraw/zinc/62/92/01/478629201.db2.gz KUCMRUMHCDVJHX-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040696 478629518 /nfs/dbraw/zinc/62/95/18/478629518.db2.gz QNJYABGMCVPHJL-CYBMUJFWSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598042245 478629598 /nfs/dbraw/zinc/62/95/98/478629598.db2.gz WNVZXNAAOTXPKL-YESZJQIVSA-N 1 0 331.416 2.641 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000582585116 478635127 /nfs/dbraw/zinc/63/51/27/478635127.db2.gz CTAITBNREMAQBJ-KGLIPLIRSA-N 1 0 349.434 2.894 10 5 EFBERO Cc1c([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000595060250 478645193 /nfs/dbraw/zinc/64/51/93/478645193.db2.gz LMGBCMASPGYPPL-ZDUSSCGKSA-N 1 0 340.445 2.769 10 5 EFBERO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074942 478651983 /nfs/dbraw/zinc/65/19/83/478651983.db2.gz XEVSFBZPJLBWAO-BLLLJJGKSA-N 1 0 338.404 2.696 10 5 EFBERO Cc1ccncc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595075800 478652281 /nfs/dbraw/zinc/65/22/81/478652281.db2.gz YYAYMTWXMNUNRP-HOTGVXAUSA-N 1 0 329.404 2.811 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000595079046 478652453 /nfs/dbraw/zinc/65/24/53/478652453.db2.gz HIXVBIYWDIEBFZ-IINYFYTJSA-N 1 0 327.331 2.947 10 5 EFBERO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074944 478652837 /nfs/dbraw/zinc/65/28/37/478652837.db2.gz XEVSFBZPJLBWAO-MLGOLLRUSA-N 1 0 338.404 2.696 10 5 EFBERO COc1ccnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1F ZINC000595080097 478653492 /nfs/dbraw/zinc/65/34/92/478653492.db2.gz JAVHTMAIMYGHAZ-AAEUAGOBSA-N 1 0 349.366 2.608 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CC1(F)F ZINC000595081981 478653612 /nfs/dbraw/zinc/65/36/12/478653612.db2.gz VDDHYZGECMPRNI-YGRLFVJLSA-N 1 0 327.331 2.947 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000595081979 478654259 /nfs/dbraw/zinc/65/42/59/478654259.db2.gz VDDHYZGECMPRNI-QMTHXVAHSA-N 1 0 327.331 2.947 10 5 EFBERO COc1ccnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1F ZINC000595080103 478654380 /nfs/dbraw/zinc/65/43/80/478654380.db2.gz JAVHTMAIMYGHAZ-WCQYABFASA-N 1 0 349.366 2.608 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000601100402 478655734 /nfs/dbraw/zinc/65/57/34/478655734.db2.gz BQSOIDIQQODAKB-UHFFFAOYSA-N 1 0 335.330 2.635 10 5 EFBERO Cn1ccnc1[C@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595090262 478656979 /nfs/dbraw/zinc/65/69/79/478656979.db2.gz AERPXFYQIAENBU-QWFMPGPPSA-N 1 0 344.415 2.558 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+]CCc2cncc(C)n2)cc1[N+](=O)[O-] ZINC000595092320 478657019 /nfs/dbraw/zinc/65/70/19/478657019.db2.gz YCFKJDUUKREMLF-CYBMUJFWSA-N 1 0 330.388 2.985 10 5 EFBERO CC[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCC1 ZINC000601104393 478659069 /nfs/dbraw/zinc/65/90/69/478659069.db2.gz VPCZFKNWYJUZHX-SECBINFHSA-N 1 0 335.330 2.633 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099979 478659064 /nfs/dbraw/zinc/65/90/64/478659064.db2.gz HPTXILOIEOUWQN-HOCLYGCPSA-N 1 0 346.431 2.844 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099977 478659251 /nfs/dbraw/zinc/65/92/51/478659251.db2.gz HPTXILOIEOUWQN-GDBMZVCRSA-N 1 0 346.431 2.844 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000601105738 478659650 /nfs/dbraw/zinc/65/96/50/478659650.db2.gz FWQWEOIOOOJNJA-UHFFFAOYSA-N 1 0 336.392 2.555 10 5 EFBERO CCC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595100814 478661203 /nfs/dbraw/zinc/66/12/03/478661203.db2.gz JCAFZBIZERMCJB-HNNXBMFYSA-N 1 0 340.445 2.993 10 5 EFBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCN1CCCc3ccccc31)CC2 ZINC000542548187 478661943 /nfs/dbraw/zinc/66/19/43/478661943.db2.gz GUFOZHOLAVEOMB-UHFFFAOYSA-N 1 0 338.411 2.801 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595105367 478662230 /nfs/dbraw/zinc/66/22/30/478662230.db2.gz FLEUYUSIBNJHGT-OLZOCXBDSA-N 1 0 335.404 2.717 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595109985 478663887 /nfs/dbraw/zinc/66/38/87/478663887.db2.gz YCECLZXEKNESSN-HOCLYGCPSA-N 1 0 344.415 2.822 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601119821 478667347 /nfs/dbraw/zinc/66/73/47/478667347.db2.gz WSLJQEFEVXAIJK-ZJUUUORDSA-N 1 0 349.357 2.514 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601120613 478668753 /nfs/dbraw/zinc/66/87/53/478668753.db2.gz MFYHIOLRQGUQJO-JTQLQIEISA-N 1 0 349.357 2.515 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601122407 478669675 /nfs/dbraw/zinc/66/96/75/478669675.db2.gz VVRPUFPAKDMPRD-ZJUUUORDSA-N 1 0 349.357 2.656 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CCN(c3cc[nH+]cc3)CC1)CCCC2 ZINC000591888560 478675577 /nfs/dbraw/zinc/67/55/77/478675577.db2.gz ABKRTXZSNDVJEO-UHFFFAOYSA-N 1 0 339.399 2.590 10 5 EFBERO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000591891543 478678844 /nfs/dbraw/zinc/67/88/44/478678844.db2.gz JXEMUALEUCIMSP-DZGCQCFKSA-N 1 0 347.415 2.516 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601148363 478687900 /nfs/dbraw/zinc/68/79/00/478687900.db2.gz AEBQZOSCZVOMIH-GUYCJALGSA-N 1 0 334.372 2.569 10 5 EFBERO COCc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148815 478689065 /nfs/dbraw/zinc/68/90/65/478689065.db2.gz GSYSGTBEZGQSBZ-GOSISDBHSA-N 1 0 330.384 2.739 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225244 478692611 /nfs/dbraw/zinc/69/26/11/478692611.db2.gz KWUGFAPAHJOZLG-FUHWJXTLSA-N 1 0 345.443 2.908 10 5 EFBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225277 478692696 /nfs/dbraw/zinc/69/26/96/478692696.db2.gz MCWVIBMGAKICIH-WBVHZDCISA-N 1 0 331.416 2.518 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223862 478693455 /nfs/dbraw/zinc/69/34/55/478693455.db2.gz CLGBDWNPAWPRSF-RHSMWYFYSA-N 1 0 331.416 2.898 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1cccc(F)c1 ZINC000595226183 478694591 /nfs/dbraw/zinc/69/45/91/478694591.db2.gz RBYJFCPXAFFUNU-CHWSQXEVSA-N 1 0 349.387 2.752 10 5 EFBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000601154822 478694612 /nfs/dbraw/zinc/69/46/12/478694612.db2.gz YOCKCHRNSOVFDG-UHFFFAOYSA-N 1 0 331.351 2.600 10 5 EFBERO [NH3+]C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595251027 478701146 /nfs/dbraw/zinc/70/11/46/478701146.db2.gz WUUSCSYIXBRUEK-UHFFFAOYSA-N 1 0 331.416 2.695 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000595248945 478701623 /nfs/dbraw/zinc/70/16/23/478701623.db2.gz KEVXFSVSQQYWSD-INIZCTEOSA-N 1 0 325.368 2.788 10 5 EFBERO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595254379 478702981 /nfs/dbraw/zinc/70/29/81/478702981.db2.gz OGGQYNBJWSCYRX-MRXNPFEDSA-N 1 0 339.395 2.903 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269752 478708209 /nfs/dbraw/zinc/70/82/09/478708209.db2.gz ROEKMVDSWWPZEF-SJLPKXTDSA-N 1 0 339.395 2.779 10 5 EFBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601180936 478708338 /nfs/dbraw/zinc/70/83/38/478708338.db2.gz ZWNMMNQSNIUSOF-OAHLLOKOSA-N 1 0 345.443 2.817 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595273184 478709980 /nfs/dbraw/zinc/70/99/80/478709980.db2.gz JVLVNFFXCXKHGG-NVXWUHKLSA-N 1 0 348.447 2.857 10 5 EFBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000601189338 478714534 /nfs/dbraw/zinc/71/45/34/478714534.db2.gz PWIYWLIKKRTPDV-CQSZACIVSA-N 1 0 347.337 2.507 10 5 EFBERO CCC[C@H]1CN(c2c(OC)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000582917109 478720280 /nfs/dbraw/zinc/72/02/80/478720280.db2.gz ZIEPKFILUFYZMF-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO C[NH+]1CCC(n2cc(Nc3ncc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000601225706 478733805 /nfs/dbraw/zinc/73/38/05/478733805.db2.gz ILFZVXZNOSIEGK-UHFFFAOYSA-N 1 0 336.783 2.850 10 5 EFBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000591986497 478734258 /nfs/dbraw/zinc/73/42/58/478734258.db2.gz RAEYKGIHAZURJC-CVEARBPZSA-N 1 0 343.431 2.877 10 5 EFBERO CC[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595421096 478769078 /nfs/dbraw/zinc/76/90/78/478769078.db2.gz RIHPZFHNFFYLDS-AWEZNQCLSA-N 1 0 332.408 2.620 10 5 EFBERO CCC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132949 478790453 /nfs/dbraw/zinc/79/04/53/478790453.db2.gz QCNGGXJDSCXNNA-BRWVUGGUSA-N 1 0 336.432 2.861 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335395 478791817 /nfs/dbraw/zinc/79/18/17/478791817.db2.gz TYSPGOPMIRSFOS-PBHICJAKSA-N 1 0 333.432 2.956 10 5 EFBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595505590 478826292 /nfs/dbraw/zinc/82/62/92/478826292.db2.gz SYPBGAAGGWOLSM-OWCLPIDISA-N 1 0 343.427 2.789 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255128 478842148 /nfs/dbraw/zinc/84/21/48/478842148.db2.gz MJEBLZSNJFIEHG-CABCVRRESA-N 1 0 331.416 2.755 10 5 EFBERO Cc1sc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592256407 478843546 /nfs/dbraw/zinc/84/35/46/478843546.db2.gz YUODPZOICGZGFX-CHWSQXEVSA-N 1 0 337.445 2.817 10 5 EFBERO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1OC(F)F ZINC000592356810 478867576 /nfs/dbraw/zinc/86/75/76/478867576.db2.gz BHIRXETWCBSFSK-QMMMGPOBSA-N 1 0 326.259 2.671 10 5 EFBERO CC1([NH+]2CCCC2)CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601559897 478879961 /nfs/dbraw/zinc/87/99/61/478879961.db2.gz FLCRQXIKCWNZKY-UHFFFAOYSA-N 1 0 346.431 2.755 10 5 EFBERO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592396712 478883156 /nfs/dbraw/zinc/88/31/56/478883156.db2.gz JHCVWHCNUCFGJZ-SJLPKXTDSA-N 1 0 334.416 2.739 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595616832 478889641 /nfs/dbraw/zinc/88/96/41/478889641.db2.gz DLYFKHSPJRAXOC-INIZCTEOSA-N 1 0 346.383 2.807 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425660 478892350 /nfs/dbraw/zinc/89/23/50/478892350.db2.gz IAJFTQROYHQRAG-OAHLLOKOSA-N 1 0 348.403 2.790 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598559347 478893654 /nfs/dbraw/zinc/89/36/54/478893654.db2.gz FWOFSYWBWJCBPB-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO COc1ccc(CN2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592438323 478893611 /nfs/dbraw/zinc/89/36/11/478893611.db2.gz KRSIPORQINQQEL-KRWDZBQOSA-N 1 0 327.384 2.662 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](C(F)F)C1CCCCC1 ZINC000598647878 478944629 /nfs/dbraw/zinc/94/46/29/478944629.db2.gz CPKXBXDBVNCJTA-CQSZACIVSA-N 1 0 329.347 2.560 10 5 EFBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595703870 478948637 /nfs/dbraw/zinc/94/86/37/478948637.db2.gz AZHLZKQNZOFEFV-MEDUHNTESA-N 1 0 325.368 2.512 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CC1(F)F ZINC000598677617 478965436 /nfs/dbraw/zinc/96/54/36/478965436.db2.gz QGMQNNHYAYRDHV-QWRGUYRKSA-N 1 0 327.331 2.947 10 5 EFBERO COc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601739137 478978531 /nfs/dbraw/zinc/97/85/31/478978531.db2.gz MWGAEGWPGOKMPW-UHFFFAOYSA-N 1 0 347.415 2.694 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769062 478987417 /nfs/dbraw/zinc/98/74/17/478987417.db2.gz OSGKWOKFPGOOKN-RHSMWYFYSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595771479 478988591 /nfs/dbraw/zinc/98/85/91/478988591.db2.gz PRAHICZDDHYYMT-CRAIPNDOSA-N 1 0 344.415 2.708 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000601791198 479006057 /nfs/dbraw/zinc/00/60/57/479006057.db2.gz IBUNEOBQVHXCJK-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000601791929 479008446 /nfs/dbraw/zinc/00/84/46/479008446.db2.gz RDMUHCOLZVCRGW-UHFFFAOYSA-N 1 0 334.420 2.583 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595849153 479031508 /nfs/dbraw/zinc/03/15/08/479031508.db2.gz GKRPZTADLKDDFH-AWEZNQCLSA-N 1 0 349.431 2.730 10 5 EFBERO [NH3+][C@H]1CCc2ccccc2N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595903739 479061014 /nfs/dbraw/zinc/06/10/14/479061014.db2.gz DDEXWOKGRGEIHH-HNNXBMFYSA-N 1 0 327.384 2.754 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595906266 479063048 /nfs/dbraw/zinc/06/30/48/479063048.db2.gz INTPSZODXHUFIU-HNNXBMFYSA-N 1 0 341.839 2.791 10 5 EFBERO COc1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000595911315 479066990 /nfs/dbraw/zinc/06/69/90/479066990.db2.gz UOYZOKFNVJWSQN-HDICACEKSA-N 1 0 332.400 2.996 10 5 EFBERO Cc1c(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cccc1[N+](=O)[O-] ZINC000595929029 479077855 /nfs/dbraw/zinc/07/78/55/479077855.db2.gz FYECTWBGKUUEEP-UHFFFAOYSA-N 1 0 330.344 2.611 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595937499 479079046 /nfs/dbraw/zinc/07/90/46/479079046.db2.gz VJYXQKSNKZRZPH-KRWDZBQOSA-N 1 0 345.443 2.766 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595934573 479079320 /nfs/dbraw/zinc/07/93/20/479079320.db2.gz OUOJRLILDPRRLP-HNNXBMFYSA-N 1 0 331.416 2.755 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000595941070 479080207 /nfs/dbraw/zinc/08/02/07/479080207.db2.gz LSZNSXFYRHOISP-JTQLQIEISA-N 1 0 332.360 2.576 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000595941071 479080550 /nfs/dbraw/zinc/08/05/50/479080550.db2.gz LSZNSXFYRHOISP-SNVBAGLBSA-N 1 0 332.360 2.576 10 5 EFBERO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598961555 479102499 /nfs/dbraw/zinc/10/24/99/479102499.db2.gz NZFOBDCJZJCVMV-MRXNPFEDSA-N 1 0 346.431 2.801 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601971649 479103469 /nfs/dbraw/zinc/10/34/69/479103469.db2.gz DGIGIUNHQVJMDO-LBPRGKRZSA-N 1 0 339.823 2.685 10 5 EFBERO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000598989613 479116322 /nfs/dbraw/zinc/11/63/22/479116322.db2.gz NUGAACUHALLXCE-INIZCTEOSA-N 1 0 328.368 2.835 10 5 EFBERO COC(=O)c1cc(OCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000596071847 479120702 /nfs/dbraw/zinc/12/07/02/479120702.db2.gz SSNFAUGMNGFGFM-UHFFFAOYSA-N 1 0 342.351 2.606 10 5 EFBERO C/C=C\C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599005203 479123563 /nfs/dbraw/zinc/12/35/63/479123563.db2.gz MQTOLBNRUWIDBM-IHWYPQMZSA-N 1 0 332.141 2.865 10 5 EFBERO CCOC(=O)[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599016429 479126826 /nfs/dbraw/zinc/12/68/26/479126826.db2.gz OPFGXBRWVCOKOJ-ZDUSSCGKSA-N 1 0 329.356 2.923 10 5 EFBERO CC[C@H](CSC)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593018991 479127639 /nfs/dbraw/zinc/12/76/39/479127639.db2.gz HLPPQHUBKLBGLN-CYBMUJFWSA-N 1 0 326.418 2.955 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599019288 479128771 /nfs/dbraw/zinc/12/87/71/479128771.db2.gz DVZRMAXGKFYAEY-INIZCTEOSA-N 1 0 331.416 2.961 10 5 EFBERO CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599059320 479142973 /nfs/dbraw/zinc/14/29/73/479142973.db2.gz MVWVQEOMRKIXIF-LSDHHAIUSA-N 1 0 332.429 2.625 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596109927 479143566 /nfs/dbraw/zinc/14/35/66/479143566.db2.gz HQRPTGIPSXQPQN-NSHDSACASA-N 1 0 343.811 2.780 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)c2ccccc2)c1 ZINC000599066816 479146297 /nfs/dbraw/zinc/14/62/97/479146297.db2.gz VTFMPPAAINNAFQ-IPMKNSEASA-N 1 0 342.395 2.814 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596115306 479146476 /nfs/dbraw/zinc/14/64/76/479146476.db2.gz UUWBFDHPZVDRDQ-LBPRGKRZSA-N 1 0 341.795 2.787 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)c2ccccc2)c1 ZINC000599066815 479146540 /nfs/dbraw/zinc/14/65/40/479146540.db2.gz VTFMPPAAINNAFQ-GUDVDZBRSA-N 1 0 342.395 2.814 10 5 EFBERO CCCc1ncc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000573834965 479155392 /nfs/dbraw/zinc/15/53/92/479155392.db2.gz IQZYDZHFKKNKJJ-UHFFFAOYSA-N 1 0 332.360 2.654 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599088779 479156174 /nfs/dbraw/zinc/15/61/74/479156174.db2.gz OAEZWNNXXSTPCB-CYBMUJFWSA-N 1 0 349.431 2.903 10 5 EFBERO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCC1 ZINC000599093690 479158763 /nfs/dbraw/zinc/15/87/63/479158763.db2.gz PVHWAWPRESYMQJ-IRXDYDNUSA-N 1 0 329.400 2.715 10 5 EFBERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599094168 479159388 /nfs/dbraw/zinc/15/93/88/479159388.db2.gz YZEWKWOBRKSKIM-ZNMIVQPWSA-N 1 0 332.360 2.857 10 5 EFBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599093703 479159780 /nfs/dbraw/zinc/15/97/80/479159780.db2.gz QDVQNHQDBRUPQK-IUODEOHRSA-N 1 0 347.415 2.798 10 5 EFBERO Cn1cc(C[NH2+]CCOCC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573859224 479161224 /nfs/dbraw/zinc/16/12/24/479161224.db2.gz PJFUOFOSTYCJLF-UHFFFAOYSA-N 1 0 344.415 2.902 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105294 479163011 /nfs/dbraw/zinc/16/30/11/479163011.db2.gz ZBMNVGOYMTUBBX-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593090571 479167437 /nfs/dbraw/zinc/16/74/37/479167437.db2.gz ACBNEZDNKJCQCP-CYBMUJFWSA-N 1 0 333.388 2.567 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CC[N@@H+]3C3CCCCC3)c2c1 ZINC000599127179 479170814 /nfs/dbraw/zinc/17/08/14/479170814.db2.gz QPDKILWWQYLACU-OAHLLOKOSA-N 1 0 341.415 2.779 10 5 EFBERO COc1ccc(CN2CC[C@@H]2CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000599139433 479177532 /nfs/dbraw/zinc/17/75/32/479177532.db2.gz MKWNRXIQQBIZLI-OAHLLOKOSA-N 1 0 342.399 2.993 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c1C ZINC000610796471 479191176 /nfs/dbraw/zinc/19/11/76/479191176.db2.gz MEJMEIAFEUUFRI-UHFFFAOYSA-N 1 0 346.368 2.660 10 5 EFBERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599168247 479192681 /nfs/dbraw/zinc/19/26/81/479192681.db2.gz JTMRROYXQPWYRY-QWJLCTJOSA-N 1 0 345.424 2.941 10 5 EFBERO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000584634750 479195579 /nfs/dbraw/zinc/19/55/79/479195579.db2.gz KHYZNVRIKISQHA-WOSRLPQWSA-N 1 0 337.420 2.699 10 5 EFBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H](C)[NH2+]1 ZINC000599178885 479197290 /nfs/dbraw/zinc/19/72/90/479197290.db2.gz MCGOKXZKQIEVMQ-WCBMZHEXSA-N 1 0 343.225 2.637 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000599184104 479199612 /nfs/dbraw/zinc/19/96/12/479199612.db2.gz YUUPNCSPKIUEAE-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000599184060 479200249 /nfs/dbraw/zinc/20/02/49/479200249.db2.gz XJCDROPVVCTEGL-UHFFFAOYSA-N 1 0 325.434 2.738 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3C3(O)CC3)o2)cc1 ZINC000556780281 479204317 /nfs/dbraw/zinc/20/43/17/479204317.db2.gz VRELRDVQKIFQRJ-CQSZACIVSA-N 1 0 344.371 2.524 10 5 EFBERO COC(=O)c1c(Cl)c(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596246796 479222661 /nfs/dbraw/zinc/22/26/61/479222661.db2.gz ZGZDZCPMDTVAGM-VHSXEESVSA-N 1 0 341.795 2.564 10 5 EFBERO CCOc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596267873 479230651 /nfs/dbraw/zinc/23/06/51/479230651.db2.gz ARTYQFUENOGVKG-UHFFFAOYSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596269648 479232004 /nfs/dbraw/zinc/23/20/04/479232004.db2.gz WNILCUZWTLAHLF-UHFFFAOYSA-N 1 0 337.395 2.733 10 5 EFBERO C[C@H]1CCC[C@H](C)N1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574191855 479238580 /nfs/dbraw/zinc/23/85/80/479238580.db2.gz KBWNNFFMUKGBPI-GJZGRUSLSA-N 1 0 348.447 2.776 10 5 EFBERO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309838 479247882 /nfs/dbraw/zinc/24/78/82/479247882.db2.gz XYKYBFJPQAEZNX-ZDUSSCGKSA-N 1 0 335.404 2.595 10 5 EFBERO COc1cc(NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596315601 479250358 /nfs/dbraw/zinc/25/03/58/479250358.db2.gz ZMNVGFYSFOPEFB-UHFFFAOYSA-N 1 0 349.431 2.906 10 5 EFBERO COc1cccc(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596314514 479250958 /nfs/dbraw/zinc/25/09/58/479250958.db2.gz IOPQCVWLFCHJNH-UHFFFAOYSA-N 1 0 349.431 2.906 10 5 EFBERO O=[N+]([O-])c1cnc(NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000593232750 479252523 /nfs/dbraw/zinc/25/25/23/479252523.db2.gz CTYQXBDYKALVMG-UHFFFAOYSA-N 1 0 329.198 2.554 10 5 EFBERO C[C@H]1C[C@@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370496 479273877 /nfs/dbraw/zinc/27/38/77/479273877.db2.gz IXZRMFFUJLBFKK-QWHCGFSZSA-N 1 0 329.404 2.639 10 5 EFBERO Cc1cc(NCCN(C)CCC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596425846 479290042 /nfs/dbraw/zinc/29/00/42/479290042.db2.gz WVKYEWCNQBHUPI-UHFFFAOYSA-N 1 0 345.447 2.747 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CNc3ccccc3C2)n1 ZINC000593319568 479292171 /nfs/dbraw/zinc/29/21/71/479292171.db2.gz NOUVGPQXTYWYBY-USXIJHARSA-N 1 0 341.415 2.901 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179861 479304468 /nfs/dbraw/zinc/30/44/68/479304468.db2.gz LYLFLOSCWZAQBM-JTQLQIEISA-N 1 0 343.330 2.519 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180116 479304514 /nfs/dbraw/zinc/30/45/14/479304514.db2.gz SCLNYONJYFNBFT-LLVKDONJSA-N 1 0 327.331 2.819 10 5 EFBERO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000596461368 479305029 /nfs/dbraw/zinc/30/50/29/479305029.db2.gz HOCITJAYZPAEGB-INIZCTEOSA-N 1 0 326.400 2.743 10 5 EFBERO CCC[N@H+](C)CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596539644 479333618 /nfs/dbraw/zinc/33/36/18/479333618.db2.gz AQOFWDAKLWYRFT-UHFFFAOYSA-N 1 0 343.449 2.531 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611287571 479338709 /nfs/dbraw/zinc/33/87/09/479338709.db2.gz RTBIFGDWPOXXHD-ZIAGYGMSSA-N 1 0 348.399 2.615 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000596561987 479340215 /nfs/dbraw/zinc/34/02/15/479340215.db2.gz JIAYVUCKXLNIJD-UHFFFAOYSA-N 1 0 347.415 2.915 10 5 EFBERO CCOc1cccc(N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565362 479341920 /nfs/dbraw/zinc/34/19/20/479341920.db2.gz GNNWAZPXAZQQFS-CQSZACIVSA-N 1 0 337.420 2.541 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596567321 479342581 /nfs/dbraw/zinc/34/25/81/479342581.db2.gz SFSNNTVTSONCRO-MRXNPFEDSA-N 1 0 344.415 2.690 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599596279 479346332 /nfs/dbraw/zinc/34/63/32/479346332.db2.gz QTXJDQCCBJQPDN-SFHVURJKSA-N 1 0 349.431 2.763 10 5 EFBERO CC[NH+]1CCN([C@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455955 479348263 /nfs/dbraw/zinc/34/82/63/479348263.db2.gz WDQPKVOQTPYHGM-CQSZACIVSA-N 1 0 343.431 2.581 10 5 EFBERO CC(C)[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000593456774 479348948 /nfs/dbraw/zinc/34/89/48/479348948.db2.gz GICHWOQLBQCQOX-GOSISDBHSA-N 1 0 344.415 2.912 10 5 EFBERO CC1(C)Cc2n[nH]cc2C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598801 479353346 /nfs/dbraw/zinc/35/33/46/479353346.db2.gz KTLPVDRAMHVSDR-UHFFFAOYSA-N 1 0 330.388 2.781 10 5 EFBERO Cn1ncc2c1CC(C)(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000596599202 479353524 /nfs/dbraw/zinc/35/35/24/479353524.db2.gz RAOVCMVLYIXYPJ-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625640 479358847 /nfs/dbraw/zinc/35/88/47/479358847.db2.gz NXLMRLFGKJBKAP-SPTRTOBYSA-N 1 0 341.795 2.588 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395616 479367656 /nfs/dbraw/zinc/36/76/56/479367656.db2.gz KGGNRQVOWQUCGR-QGZVFWFLSA-N 1 0 327.384 2.888 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]2CCC[C@H]21 ZINC000599651439 479369772 /nfs/dbraw/zinc/36/97/72/479369772.db2.gz BKNXLGJUUAAHMC-XHSDSOJGSA-N 1 0 348.399 2.767 10 5 EFBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000602508305 479373265 /nfs/dbraw/zinc/37/32/65/479373265.db2.gz AQLMPHRCCNWTQC-CYBMUJFWSA-N 1 0 329.404 2.806 10 5 EFBERO C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000587974960 479377926 /nfs/dbraw/zinc/37/79/26/479377926.db2.gz FJNMVICFWHDFRE-ZDUSSCGKSA-N 1 0 344.415 2.602 10 5 EFBERO COc1ccc(NC(=O)C[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673802 479384416 /nfs/dbraw/zinc/38/44/16/479384416.db2.gz ZESJIOVECJQMGL-UHFFFAOYSA-N 1 0 333.388 2.808 10 5 EFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)co2)cc1 ZINC000599682705 479388881 /nfs/dbraw/zinc/38/88/81/479388881.db2.gz INEPHODQFMNTRA-IUIKQTSFSA-N 1 0 329.356 2.595 10 5 EFBERO COC(=O)C1C[C@H](C)[NH+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687651 479391808 /nfs/dbraw/zinc/39/18/08/479391808.db2.gz FIIRCHJHCJQVMX-STQMWFEESA-N 1 0 336.388 2.636 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502427 479397249 /nfs/dbraw/zinc/39/72/49/479397249.db2.gz SEQUOTBPBHYATL-DGCLKSJQSA-N 1 0 339.367 2.612 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501374 479397393 /nfs/dbraw/zinc/39/73/93/479397393.db2.gz BEPKEJFCLDHYFZ-AAEUAGOBSA-N 1 0 339.367 2.612 10 5 EFBERO CC[C@]1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615313 479402851 /nfs/dbraw/zinc/40/28/51/479402851.db2.gz MUHYYGLCIYOTQN-HZPDHXFCSA-N 1 0 340.445 2.927 10 5 EFBERO COc1cc(C[N@H+](CCO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000611515735 479403397 /nfs/dbraw/zinc/40/33/97/479403397.db2.gz NERCSIQFNCUVSW-UHFFFAOYSA-N 1 0 330.384 2.640 10 5 EFBERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599713165 479403461 /nfs/dbraw/zinc/40/34/61/479403461.db2.gz ZVGBSVAGFXJUMD-BTTYYORXSA-N 1 0 336.388 2.636 10 5 EFBERO COc1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593653086 479413864 /nfs/dbraw/zinc/41/38/64/479413864.db2.gz RUJDIJRDFIDJKD-IBGZPJMESA-N 1 0 342.395 2.570 10 5 EFBERO Cc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694972 479425360 /nfs/dbraw/zinc/42/53/60/479425360.db2.gz VHRSMZUCSSMVTH-HNNXBMFYSA-N 1 0 327.384 2.769 10 5 EFBERO [NH3+]CC1(CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000593715136 479431690 /nfs/dbraw/zinc/43/16/90/479431690.db2.gz MTGLSXBZUKNCMH-OAHLLOKOSA-N 1 0 346.431 2.613 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593718630 479432782 /nfs/dbraw/zinc/43/27/82/479432782.db2.gz LIIYDGCNMJGZOS-UHFFFAOYSA-N 1 0 334.420 2.644 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000603833346 479433156 /nfs/dbraw/zinc/43/31/56/479433156.db2.gz HGGLWXBOMPBMRQ-CQSZACIVSA-N 1 0 328.372 2.643 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725878 479436831 /nfs/dbraw/zinc/43/68/31/479436831.db2.gz ZXXGADGGUOFSLW-RTBURBONSA-N 1 0 342.395 2.815 10 5 EFBERO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829499 479442576 /nfs/dbraw/zinc/44/25/76/479442576.db2.gz DTMCAJHYFBYSRP-UHFFFAOYSA-N 1 0 345.403 2.996 10 5 EFBERO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838588 479448358 /nfs/dbraw/zinc/44/83/58/479448358.db2.gz KYHCKIAEHXKLFZ-UHFFFAOYSA-N 1 0 331.376 2.605 10 5 EFBERO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)[N@H+]1C ZINC000599840339 479449083 /nfs/dbraw/zinc/44/90/83/479449083.db2.gz RYLWSKCSHUYBBZ-TXEJJXNPSA-N 1 0 343.387 2.699 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000611706426 479451770 /nfs/dbraw/zinc/45/17/70/479451770.db2.gz KIEVKEFLQRDXBB-OAHLLOKOSA-N 1 0 341.415 2.993 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000618455938 479452455 /nfs/dbraw/zinc/45/24/55/479452455.db2.gz QPAYRLDALLFEKB-CYBMUJFWSA-N 1 0 337.807 2.771 10 5 EFBERO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000575745037 479466180 /nfs/dbraw/zinc/46/61/80/479466180.db2.gz NFASBYVDJDEFGL-CQSZACIVSA-N 1 0 349.434 2.753 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599917565 479469937 /nfs/dbraw/zinc/46/99/37/479469937.db2.gz SPVAHTARJYJYPM-MRXNPFEDSA-N 1 0 346.431 2.501 10 5 EFBERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599928263 479472922 /nfs/dbraw/zinc/47/29/22/479472922.db2.gz FONSJWIHFHYPBY-MRXNPFEDSA-N 1 0 344.415 2.553 10 5 EFBERO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599928471 479474097 /nfs/dbraw/zinc/47/40/97/479474097.db2.gz LJEVQIBDTVZWLR-INIZCTEOSA-N 1 0 344.415 2.553 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000596891195 479476010 /nfs/dbraw/zinc/47/60/10/479476010.db2.gz SGAWDQMCEKOTIR-ZDUSSCGKSA-N 1 0 336.392 2.551 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000596891194 479476225 /nfs/dbraw/zinc/47/62/25/479476225.db2.gz SGAWDQMCEKOTIR-CYBMUJFWSA-N 1 0 336.392 2.551 10 5 EFBERO [NH3+]CC1(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000593914138 479507797 /nfs/dbraw/zinc/50/77/97/479507797.db2.gz IMJBORXZYVEIPZ-UHFFFAOYSA-N 1 0 346.412 2.577 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2Cc3ccccc3C2)c1 ZINC000589496874 479532827 /nfs/dbraw/zinc/53/28/27/479532827.db2.gz VHNDMIOHTPZRMB-UHFFFAOYSA-N 1 0 340.379 2.981 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)CCSC)c1 ZINC000589502413 479533371 /nfs/dbraw/zinc/53/33/71/479533371.db2.gz SKYSFCKYGFAEEZ-LLVKDONJSA-N 1 0 326.418 2.955 10 5 EFBERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506625 479535033 /nfs/dbraw/zinc/53/50/33/479535033.db2.gz LIJVGEADNALDKG-HOTGVXAUSA-N 1 0 348.399 2.819 10 5 EFBERO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040067 479561272 /nfs/dbraw/zinc/56/12/72/479561272.db2.gz CWWMBACPQPCFGF-BBRMVZONSA-N 1 0 335.404 2.861 10 5 EFBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594043770 479564316 /nfs/dbraw/zinc/56/43/16/479564316.db2.gz OOCACAINOIHROL-HZPDHXFCSA-N 1 0 335.404 2.861 10 5 EFBERO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCO1 ZINC000594043873 479564941 /nfs/dbraw/zinc/56/49/41/479564941.db2.gz PBBPTLWVMOBCJY-HOTGVXAUSA-N 1 0 336.388 2.899 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590052939 479597571 /nfs/dbraw/zinc/59/75/71/479597571.db2.gz QRWBQCKEUGZGRP-XJKSGUPXSA-N 1 0 344.440 2.854 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000597224644 479630763 /nfs/dbraw/zinc/63/07/63/479630763.db2.gz NIIAEJANWYBGAZ-IDKBZEPQSA-N 1 0 346.431 2.686 10 5 EFBERO CSc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000590375757 479635926 /nfs/dbraw/zinc/63/59/26/479635926.db2.gz KAHXVCIMLJSPFM-UHFFFAOYSA-N 1 0 349.456 2.875 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000590376391 479637413 /nfs/dbraw/zinc/63/74/13/479637413.db2.gz ZEXUTTNLONKQCR-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO CO[C@@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000602961509 479652718 /nfs/dbraw/zinc/65/27/18/479652718.db2.gz AWNKDGIIUCLHGL-ZWKOTPCHSA-N 1 0 348.374 2.919 10 5 EFBERO CO[C@@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000602961508 479653468 /nfs/dbraw/zinc/65/34/68/479653468.db2.gz AWNKDGIIUCLHGL-ROUUACIJSA-N 1 0 348.374 2.919 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000590548088 479658154 /nfs/dbraw/zinc/65/81/54/479658154.db2.gz QPSXLLVXTMJTMH-UHFFFAOYSA-N 1 0 337.807 2.806 10 5 EFBERO COC(=O)c1c(Cl)c(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000590575483 479662114 /nfs/dbraw/zinc/66/21/14/479662114.db2.gz HERGLEXVGGOOIM-SNVBAGLBSA-N 1 0 341.795 2.565 10 5 EFBERO COc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000619438208 479790175 /nfs/dbraw/zinc/79/01/75/479790175.db2.gz LONQVDJOGCNEIJ-KGLIPLIRSA-N 1 0 347.415 2.691 10 5 EFBERO O=[N+]([O-])c1cc2ccccc2[nH]c1=Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000616058189 479816881 /nfs/dbraw/zinc/81/68/81/479816881.db2.gz VZHUWOFAVKMVHC-UHFFFAOYSA-N 1 0 332.323 2.889 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609833856 480210702 /nfs/dbraw/zinc/21/07/02/480210702.db2.gz YWRRTQFTWCBDFG-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420514 480301904 /nfs/dbraw/zinc/30/19/04/480301904.db2.gz DMOGHUWAIDIKGW-HOCLYGCPSA-N 1 0 333.432 2.889 10 5 EFBERO C[C@@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000617758195 480354070 /nfs/dbraw/zinc/35/40/70/480354070.db2.gz JMRFMSWFHKZESH-ZDUSSCGKSA-N 1 0 337.423 2.751 10 5 EFBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000643364536 481437321 /nfs/dbraw/zinc/43/73/21/481437321.db2.gz IGMQBSICSOHSET-AWEZNQCLSA-N 1 0 349.434 2.848 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000655245190 482227090 /nfs/dbraw/zinc/22/70/90/482227090.db2.gz DKLHSLZJZHAPJW-OKILXGFUSA-N 1 0 349.434 2.751 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000655245227 482227248 /nfs/dbraw/zinc/22/72/48/482227248.db2.gz GCCRUYJFAXOSSZ-OTVXOJSOSA-N 1 0 349.434 2.751 10 5 EFBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187990672 533770506 /nfs/dbraw/zinc/77/05/06/533770506.db2.gz KXBKPWCFGWDLQR-SJCJKPOMSA-N 1 0 346.387 2.628 10 5 EFBERO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000188011953 533794039 /nfs/dbraw/zinc/79/40/39/533794039.db2.gz OSDJNNGVMHIGST-BDJLRTHQSA-N 1 0 326.368 2.725 10 5 EFBERO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000188011978 533794101 /nfs/dbraw/zinc/79/41/01/533794101.db2.gz OSDJNNGVMHIGST-MEDUHNTESA-N 1 0 326.368 2.725 10 5 EFBERO Cc1c(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160006802 533835595 /nfs/dbraw/zinc/83/55/95/533835595.db2.gz MCQGOPJKTKVEEL-KRWDZBQOSA-N 1 0 341.411 2.865 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188021618 533900981 /nfs/dbraw/zinc/90/09/81/533900981.db2.gz CJIGNDQIGZGFDS-SCLBCKFNSA-N 1 0 349.431 2.715 10 5 EFBERO C[C@H]1C[NH+](CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153932869 533929847 /nfs/dbraw/zinc/92/98/47/533929847.db2.gz WAQPDHAHHLGBGI-RYUDHWBXSA-N 1 0 342.827 2.945 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155325621 534187719 /nfs/dbraw/zinc/18/77/19/534187719.db2.gz SNQFRDMFPXUULG-AAEUAGOBSA-N 1 0 337.445 2.775 10 5 EFBERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000120869630 519920489 /nfs/dbraw/zinc/92/04/89/519920489.db2.gz FDHYIFWPXKNHOX-BVBGJJFLSA-N 1 0 333.432 2.651 10 5 EFBERO COCCN(C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180404281 523609751 /nfs/dbraw/zinc/60/97/51/523609751.db2.gz KHKYKZPUJAVQAD-IBGZPJMESA-N 1 0 343.427 2.852 10 5 EFBERO Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122515401 524124429 /nfs/dbraw/zinc/12/44/29/524124429.db2.gz IWIKWAHPPPQRPI-KRWDZBQOSA-N 1 0 341.411 2.806 10 5 EFBERO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195302935 525084006 /nfs/dbraw/zinc/08/40/06/525084006.db2.gz QRLVCMVMFCCILG-MRXNPFEDSA-N 1 0 339.399 2.645 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000124971694 525561513 /nfs/dbraw/zinc/56/15/13/525561513.db2.gz UHBFIUKSCOYPPN-INIZCTEOSA-N 1 0 341.411 2.806 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968990 526085023 /nfs/dbraw/zinc/08/50/23/526085023.db2.gz NSZLKCYHKUVCDA-CRAIPNDOSA-N 1 0 333.432 2.843 10 5 EFBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000067361094 526589834 /nfs/dbraw/zinc/58/98/34/526589834.db2.gz ZCVZJAKNSHWQOK-OAHLLOKOSA-N 1 0 343.383 2.972 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195317342 526636947 /nfs/dbraw/zinc/63/69/47/526636947.db2.gz RLBOEYRNEPLTPU-ZDUSSCGKSA-N 1 0 331.397 2.730 10 5 EFBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179733749 527370750 /nfs/dbraw/zinc/37/07/50/527370750.db2.gz FAQMWSLZFOENMO-UHFFFAOYSA-N 1 0 341.358 2.866 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152526093 527404807 /nfs/dbraw/zinc/40/48/07/527404807.db2.gz JGCMEPPFQYLGBK-HNNXBMFYSA-N 1 0 329.356 2.522 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000184353442 527526678 /nfs/dbraw/zinc/52/66/78/527526678.db2.gz WGSMOQBVTJYXGL-SADTYBKJSA-N 1 0 329.400 2.693 10 5 EFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137049742 527659689 /nfs/dbraw/zinc/65/96/89/527659689.db2.gz WBLDEQAKNZKCRJ-IRXDYDNUSA-N 1 0 344.415 2.816 10 5 EFBERO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363086 527961080 /nfs/dbraw/zinc/96/10/80/527961080.db2.gz MCLIWDRVEOEQJA-DLBZAZTESA-N 1 0 334.416 2.655 10 5 EFBERO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000178338627 528234030 /nfs/dbraw/zinc/23/40/30/528234030.db2.gz UUFYHWLHMUZPIZ-AWEZNQCLSA-N 1 0 348.447 2.973 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000174169742 528255921 /nfs/dbraw/zinc/25/59/21/528255921.db2.gz JQQAKUHCMCHJIQ-CYBMUJFWSA-N 1 0 330.388 2.632 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000178338640 528269329 /nfs/dbraw/zinc/26/93/29/528269329.db2.gz UUFYHWLHMUZPIZ-CQSZACIVSA-N 1 0 348.447 2.973 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411905929 534945247 /nfs/dbraw/zinc/94/52/47/534945247.db2.gz CNFWUZLQVTXPOY-AWEZNQCLSA-N 1 0 335.404 2.548 10 5 EFBERO CC(C)n1c(Sc2ccc([N+](=O)[O-])nc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000344441352 535048265 /nfs/dbraw/zinc/04/82/65/535048265.db2.gz WGTOZYZMNYBCHC-LLVKDONJSA-N 1 0 348.432 2.780 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418598105 535094367 /nfs/dbraw/zinc/09/43/67/535094367.db2.gz QEZQDPRDWIYUGS-CJNGLKHVSA-N 1 0 334.420 2.513 10 5 EFBERO CCc1[nH]nc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)c1[N+](=O)[O-] ZINC000365199909 536009026 /nfs/dbraw/zinc/00/90/26/536009026.db2.gz GPKNPILAUDCPHW-UHFFFAOYSA-N 1 0 341.371 2.611 10 5 EFBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000347907060 536068077 /nfs/dbraw/zinc/06/80/77/536068077.db2.gz AJJHVPUCANNZJV-AWEZNQCLSA-N 1 0 329.356 2.507 10 5 EFBERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570123 536173249 /nfs/dbraw/zinc/17/32/49/536173249.db2.gz ZJGSUERVGGBZTO-NHYWBVRUSA-N 1 0 346.387 2.750 10 5 EFBERO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342708499 536821884 /nfs/dbraw/zinc/82/18/84/536821884.db2.gz YGBVMBVORUJFMJ-OAHLLOKOSA-N 1 0 349.431 2.980 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754414742 575433487 /nfs/dbraw/zinc/43/34/87/575433487.db2.gz KCGQEYHLBLDJHX-GTISMEIMSA-N 1 0 331.416 2.939 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000755297999 575571666 /nfs/dbraw/zinc/57/16/66/575571666.db2.gz WFYQNQWECGJMHE-ISBHARSQSA-N 1 0 329.400 2.599 10 5 EFBERO C/C(=C\C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000760764891 576071648 /nfs/dbraw/zinc/07/16/48/576071648.db2.gz UBYBCQSDVYWICQ-FIFPYPGSSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C\C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000760764900 576071703 /nfs/dbraw/zinc/07/17/03/576071703.db2.gz UBYBCQSDVYWICQ-VUSFMPOISA-N 1 0 331.416 2.941 10 5 EFBERO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000762057018 576250789 /nfs/dbraw/zinc/25/07/89/576250789.db2.gz QEOUVCNSPGVVMJ-UHFFFAOYSA-N 1 0 334.420 2.766 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000765671539 577064556 /nfs/dbraw/zinc/06/45/56/577064556.db2.gz FPVVOQIVJCXQOR-UHFFFAOYSA-N 1 0 333.432 2.970 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850342 577083005 /nfs/dbraw/zinc/08/30/05/577083005.db2.gz XLNGQOIDBDPLCQ-ABAIWWIYSA-N 1 0 330.340 2.708 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000768752155 577298753 /nfs/dbraw/zinc/29/87/53/577298753.db2.gz FKQPZFWPYWTYQJ-SFHVURJKSA-N 1 0 327.384 2.903 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770008095 577397480 /nfs/dbraw/zinc/39/74/80/577397480.db2.gz JCYKANIFAGJRIY-JTQLQIEISA-N 1 0 326.784 2.712 10 5 EFBERO C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000774582023 581494639 /nfs/dbraw/zinc/49/46/39/581494639.db2.gz OFGPUWMHZHXGCU-LBPRGKRZSA-N 1 0 338.477 2.708 10 5 EFBERO CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000774627718 581495609 /nfs/dbraw/zinc/49/56/09/581495609.db2.gz STYLZKSPBPYZKV-ZDUSSCGKSA-N 1 0 349.822 2.724 10 5 EFBERO O=C(CCC(F)F)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691155980 1248481534 /nfs/dbraw/zinc/48/15/34/1248481534.db2.gz GHBIMCSWIZTVAK-AULYBMBSSA-N 1 0 341.358 2.625 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001273288640 1265480711 /nfs/dbraw/zinc/48/07/11/1265480711.db2.gz MYJUXGQXPIBKQK-UHFFFAOYSA-N 1 0 339.339 2.547 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1SCCS1)OCCO2 ZINC000850407475 1250470242 /nfs/dbraw/zinc/47/02/42/1250470242.db2.gz AGCLCFTWWUZSCJ-UHFFFAOYSA-N 1 0 342.442 2.652 10 5 EFBERO CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491300 1250505533 /nfs/dbraw/zinc/50/55/33/1250505533.db2.gz OBJYBCIZZMOLAD-AMXDTQDGSA-N 1 0 338.351 2.947 10 5 EFBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000850716008 1250575030 /nfs/dbraw/zinc/57/50/30/1250575030.db2.gz QOGFHHZXLKCHCD-FHFUJXRGSA-N 1 0 343.427 2.989 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(CCF)CC1 ZINC001691512040 1251073733 /nfs/dbraw/zinc/07/37/33/1251073733.db2.gz OTHSOMYEYNHNGY-SHTZXODSSA-N 1 0 349.406 2.719 10 5 EFBERO CC/C(C)=C/C(=O)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001484406479 1252535674 /nfs/dbraw/zinc/53/56/74/1252535674.db2.gz QEIYNXLQKAIRFH-COGRFCOTSA-N 1 0 349.456 2.903 10 5 EFBERO CC(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001484402596 1252542657 /nfs/dbraw/zinc/54/26/57/1252542657.db2.gz SKLLAGXPMIRNEI-CALCHBBNSA-N 1 0 345.443 2.921 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923414684 1261628005 /nfs/dbraw/zinc/62/80/05/1261628005.db2.gz NCKXHPJTZUWAKF-SJORKVTESA-N 1 0 327.384 2.927 10 5 EFBERO C[NH2+]CCN(Cc1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000923433747 1261654194 /nfs/dbraw/zinc/65/41/94/1261654194.db2.gz WLPPPALCEIYIEI-UHFFFAOYSA-N 1 0 330.226 2.787 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000824655700 1278222712 /nfs/dbraw/zinc/22/27/12/1278222712.db2.gz ZASKKDIEARTERB-SGIREYDYSA-N 1 0 340.807 2.610 10 5 EFBERO COc1ccc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000922752143 1266719919 /nfs/dbraw/zinc/71/99/19/1266719919.db2.gz MVSBLGZGFDJRSL-CYBMUJFWSA-N 1 0 335.326 2.576 10 5 EFBERO COc1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922814589 1266923109 /nfs/dbraw/zinc/92/31/09/1266923109.db2.gz YKYYIDRMXHVHPX-CYBMUJFWSA-N 1 0 336.388 2.890 10 5 EFBERO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000791980287 1278473980 /nfs/dbraw/zinc/47/39/80/1278473980.db2.gz UBVQICXGPGYAGP-ZFWWWQNUSA-N 1 0 341.367 2.944 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001143981985 1279012636 /nfs/dbraw/zinc/01/26/36/1279012636.db2.gz CZZRPMSVKJRHQO-PHIMTYICSA-N 1 0 325.796 2.803 10 5 EFBERO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788765873 1276295291 /nfs/dbraw/zinc/29/52/91/1276295291.db2.gz QADWABBILGUTSA-LBPRGKRZSA-N 1 0 340.383 2.999 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922952762 1276385621 /nfs/dbraw/zinc/38/56/21/1276385621.db2.gz HXBMYJPIYUIHMB-LSSBLYJVSA-N 1 0 345.443 2.841 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922956615 1276403196 /nfs/dbraw/zinc/40/31/96/1276403196.db2.gz XWGCOHVRFXFCCF-MRXNPFEDSA-N 1 0 333.432 2.555 10 5 EFBERO C/C(=C\C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000818178952 1276479441 /nfs/dbraw/zinc/47/94/41/1276479441.db2.gz VSMWYYPOLAQPSI-QZEGLACASA-N 1 0 343.427 2.942 10 5 EFBERO Cc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000818339614 1276510228 /nfs/dbraw/zinc/51/02/28/1276510228.db2.gz CJEZDHLTRSTFKE-UHFFFAOYSA-N 1 0 349.412 2.565 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000819027849 1276594174 /nfs/dbraw/zinc/59/41/74/1276594174.db2.gz UJDXVLOHVLSORG-OAHLLOKOSA-N 1 0 338.310 2.575 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001136188419 1276610982 /nfs/dbraw/zinc/61/09/82/1276610982.db2.gz IPPRFOUZJMZTSK-ZDUSSCGKSA-N 1 0 335.404 2.598 10 5 EFBERO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819262890 1276717058 /nfs/dbraw/zinc/71/70/58/1276717058.db2.gz YQPUKCWQQLFMAD-YJBOKZPZSA-N 1 0 344.415 2.553 10 5 EFBERO Nc1c(C(=O)NCC[NH+]2CCCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001136224061 1276772564 /nfs/dbraw/zinc/77/25/64/1276772564.db2.gz GJDOXBMJBYTLHH-UHFFFAOYSA-N 1 0 342.399 2.546 10 5 EFBERO Cc1nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2cc([N+](=O)[O-])ccc12 ZINC000789547293 1276801001 /nfs/dbraw/zinc/80/10/01/1276801001.db2.gz UNPVAANIUVDGDW-KRWDZBQOSA-N 1 0 330.388 2.713 10 5 EFBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763654 1287275600 /nfs/dbraw/zinc/27/56/00/1287275600.db2.gz NDNNXXTVCCZHCY-ZIAGYGMSSA-N 1 0 338.795 2.949 10 5 EFBERO COc1cc(COC(=O)c2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000790985091 1277912313 /nfs/dbraw/zinc/91/23/13/1277912313.db2.gz ISWHTOQTAMRTAR-UHFFFAOYSA-N 1 0 327.296 2.608 10 5 EFBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000846050203 1280002716 /nfs/dbraw/zinc/00/27/16/1280002716.db2.gz SHXJWNVTJQDVOG-ZDUSSCGKSA-N 1 0 335.187 2.533 10 5 EFBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000794210249 1280095766 /nfs/dbraw/zinc/09/57/66/1280095766.db2.gz QYEFQYTWZFJYMJ-UHFFFAOYSA-N 1 0 337.807 2.995 10 5 EFBERO CC(C)[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000872017720 1287400357 /nfs/dbraw/zinc/40/03/57/1287400357.db2.gz FBSBCAOCVXCGQQ-CZUORRHYSA-N 1 0 339.411 2.741 10 5 EFBERO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017856 1287400451 /nfs/dbraw/zinc/40/04/51/1287400451.db2.gz GDUPMRBVTGIRFL-OLZOCXBDSA-N 1 0 326.368 2.970 10 5 EFBERO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019579 1287401299 /nfs/dbraw/zinc/40/12/99/1287401299.db2.gz WXIQZYRMUUQPPB-MGPQQGTHSA-N 1 0 339.411 2.884 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024702 1287403865 /nfs/dbraw/zinc/40/38/65/1287403865.db2.gz DBVXCUUGPIHXPM-STQMWFEESA-N 1 0 345.378 2.844 10 5 EFBERO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872030250 1287405962 /nfs/dbraw/zinc/40/59/62/1287405962.db2.gz BTUZVMRJANVXON-MNOVXSKESA-N 1 0 325.340 2.615 10 5 EFBERO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872030252 1287406106 /nfs/dbraw/zinc/40/61/06/1287406106.db2.gz BTUZVMRJANVXON-WDEREUQCSA-N 1 0 325.340 2.615 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001129554021 1280250093 /nfs/dbraw/zinc/25/00/93/1280250093.db2.gz ODGOHWURSJJTSS-UHFFFAOYSA-N 1 0 328.303 2.620 10 5 EFBERO CC(C)(C(=O)NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001129554007 1280250541 /nfs/dbraw/zinc/25/05/41/1280250541.db2.gz NMZZSAZOPSZDAR-UHFFFAOYSA-N 1 0 338.367 2.837 10 5 EFBERO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038232 1287408594 /nfs/dbraw/zinc/40/85/94/1287408594.db2.gz LWAGAKXPOCTEBS-QWHCGFSZSA-N 1 0 326.368 2.828 10 5 EFBERO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063889 1287416943 /nfs/dbraw/zinc/41/69/43/1287416943.db2.gz UXFSUILOHHAKNI-NSHDSACASA-N 1 0 332.397 2.599 10 5 EFBERO COC(=O)N1CCC(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872071678 1287419615 /nfs/dbraw/zinc/41/96/15/1287419615.db2.gz UVHVAUDLVWUFRS-LLVKDONJSA-N 1 0 339.367 2.863 10 5 EFBERO CC1(C)C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411975 1287420589 /nfs/dbraw/zinc/42/05/89/1287420589.db2.gz VUHQLJUDKIWLNQ-LBPRGKRZSA-N 1 0 343.221 2.950 10 5 EFBERO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089014 1287425219 /nfs/dbraw/zinc/42/52/19/1287425219.db2.gz SLVMPYDTAHWCIB-PXAZEXFGSA-N 1 0 340.395 2.952 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082999 1287423576 /nfs/dbraw/zinc/42/35/76/1287423576.db2.gz FPLZGTOSBUJNQP-YIYPIFLZSA-N 1 0 339.411 2.882 10 5 EFBERO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082996 1287423858 /nfs/dbraw/zinc/42/38/58/1287423858.db2.gz FPLZGTOSBUJNQP-FQUUOJAGSA-N 1 0 339.411 2.882 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872093054 1287426248 /nfs/dbraw/zinc/42/62/48/1287426248.db2.gz UGTIMTVZJBJFEF-STQMWFEESA-N 1 0 338.379 2.970 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC000872108017 1287430386 /nfs/dbraw/zinc/43/03/86/1287430386.db2.gz QRQUYMVFVAAUOP-LYYZXLFJSA-N 1 0 334.420 2.822 10 5 EFBERO COCC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000872105816 1287430794 /nfs/dbraw/zinc/43/07/94/1287430794.db2.gz MDGGBZKCKJKOSV-CYBMUJFWSA-N 1 0 337.420 2.964 10 5 EFBERO CCN1C[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000846957491 1280658637 /nfs/dbraw/zinc/65/86/37/1280658637.db2.gz LIUZGKAEUGTHTH-HOCLYGCPSA-N 1 0 333.388 2.615 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000846989779 1280675540 /nfs/dbraw/zinc/67/55/40/1280675540.db2.gz USAIIKVCWPXZFW-HECSCLNYSA-N 1 0 331.416 2.941 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC001137931381 1280980299 /nfs/dbraw/zinc/98/02/99/1280980299.db2.gz PBWHLCOIMJWNJL-NEPJUHHUSA-N 1 0 339.823 2.732 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000872219938 1287483856 /nfs/dbraw/zinc/48/38/56/1287483856.db2.gz BHGIRLQLCLYFHE-YRBFXIGRSA-N 1 0 334.416 2.893 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000872224092 1287485854 /nfs/dbraw/zinc/48/58/54/1287485854.db2.gz UUOXQOLSVGWMLZ-IRXDYDNUSA-N 1 0 334.416 2.957 10 5 EFBERO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231386 1287489053 /nfs/dbraw/zinc/48/90/53/1287489053.db2.gz JPYBWWGLHAXNGA-INIZCTEOSA-N 1 0 330.384 2.741 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCSCCC(F)(F)F)cc1 ZINC000872231567 1287489196 /nfs/dbraw/zinc/48/91/96/1287489196.db2.gz MUVVDIDJVZCQRY-LBPRGKRZSA-N 1 0 338.351 2.903 10 5 EFBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872269701 1287512733 /nfs/dbraw/zinc/51/27/33/1287512733.db2.gz ONYQBBIMYCPCKV-LLVKDONJSA-N 1 0 325.796 2.756 10 5 EFBERO CCc1cc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000809571292 1282289300 /nfs/dbraw/zinc/28/93/00/1282289300.db2.gz MZLTUORMYTYNOU-UHFFFAOYSA-N 1 0 344.415 2.900 10 5 EFBERO C[NH+](C)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809917459 1282563916 /nfs/dbraw/zinc/56/39/16/1282563916.db2.gz JBJZLJODHJOURV-UHFFFAOYSA-N 1 0 326.784 2.806 10 5 EFBERO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554199 1287591289 /nfs/dbraw/zinc/59/12/89/1287591289.db2.gz UQZRNBRCBZKWIM-YPMHNXCESA-N 1 0 329.356 2.668 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000810006003 1282753052 /nfs/dbraw/zinc/75/30/52/1282753052.db2.gz FDYKUPHLHZACFP-GBESFXJTSA-N 1 0 341.411 2.663 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000810006005 1282753434 /nfs/dbraw/zinc/75/34/34/1282753434.db2.gz FDYKUPHLHZACFP-OTWHNJEPSA-N 1 0 341.411 2.663 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCc2ccccc2[N+](=O)[O-])C1 ZINC000810630521 1283437744 /nfs/dbraw/zinc/43/77/44/1283437744.db2.gz LBRYONGEPJZFHP-QGZVFWFLSA-N 1 0 338.379 2.893 10 5 EFBERO Cc1c(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810701426 1283536530 /nfs/dbraw/zinc/53/65/30/1283536530.db2.gz RCEXVORSZIMLTB-QGZVFWFLSA-N 1 0 337.395 2.732 10 5 EFBERO CC[N@H+](CCc1ccccn1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000811456968 1284332562 /nfs/dbraw/zinc/33/25/62/1284332562.db2.gz CYOXRWKOUCAZGD-UHFFFAOYSA-N 1 0 343.383 2.841 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105862 1287710392 /nfs/dbraw/zinc/71/03/92/1287710392.db2.gz PVQAJNUVESREIF-AWEZNQCLSA-N 1 0 333.432 2.889 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000812848225 1285471860 /nfs/dbraw/zinc/47/18/60/1285471860.db2.gz IKDJSVUUQMQHFJ-KRWDZBQOSA-N 1 0 335.379 2.696 10 5 EFBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001133577330 1285634197 /nfs/dbraw/zinc/63/41/97/1285634197.db2.gz WLNLXHUPTOZGCK-UHFFFAOYSA-N 1 0 340.339 2.732 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442127 1285910404 /nfs/dbraw/zinc/91/04/04/1285910404.db2.gz FDYGSBWTWOVGLN-VIFPVBQESA-N 1 0 332.187 2.726 10 5 EFBERO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)c(C)c1 ZINC001176200400 1287917344 /nfs/dbraw/zinc/91/73/44/1287917344.db2.gz BFYCUOVMQFWGSW-UHFFFAOYSA-N 1 0 332.404 2.557 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001176618668 1288048845 /nfs/dbraw/zinc/04/88/45/1288048845.db2.gz FOEGNPDSXUIJGO-QMYADUOMSA-N 1 0 341.411 2.986 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001176927494 1288177014 /nfs/dbraw/zinc/17/70/14/1288177014.db2.gz SLENAVGMHCNJHN-DLBZAZTESA-N 1 0 347.415 2.957 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000816952714 1288336553 /nfs/dbraw/zinc/33/65/53/1288336553.db2.gz QKJOPOTYGPERTI-UFBFGSQYSA-N 1 0 344.198 2.678 10 5 EFBERO C/C(=C\C(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000817483058 1288614494 /nfs/dbraw/zinc/61/44/94/1288614494.db2.gz CALBWBWTYVGDQC-OUKQBFOZSA-N 1 0 331.416 2.987 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C(C)(C)C1 ZINC001178860581 1288967491 /nfs/dbraw/zinc/96/74/91/1288967491.db2.gz FTMQGCVKUPYZHT-INIZCTEOSA-N 1 0 349.431 2.842 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001136756653 1289398573 /nfs/dbraw/zinc/39/85/73/1289398573.db2.gz NOXFVCVUEVDRGE-CYBMUJFWSA-N 1 0 339.823 2.781 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000824086751 1289537079 /nfs/dbraw/zinc/53/70/79/1289537079.db2.gz OJFOXRDBRROJAH-STQMWFEESA-N 1 0 325.796 2.707 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1Br ZINC001186764437 1291014877 /nfs/dbraw/zinc/01/48/77/1291014877.db2.gz RQDRWYVJZYGTBD-LLVKDONJSA-N 1 0 328.210 2.888 10 5 EFBERO Cn1c2ccccc2c(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1=O ZINC001186790011 1291019680 /nfs/dbraw/zinc/01/96/80/1291019680.db2.gz FKHUYQOTDWAVTK-UONOGXRCSA-N 1 0 344.415 2.587 10 5 EFBERO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001186872768 1291029527 /nfs/dbraw/zinc/02/95/27/1291029527.db2.gz PVGRITZCFMROHG-CVEARBPZSA-N 1 0 326.400 2.994 10 5 EFBERO C[NH2+]CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000903570529 1312881990 /nfs/dbraw/zinc/88/19/90/1312881990.db2.gz OAGUKRNMVZJCHQ-UHFFFAOYSA-N 1 0 347.362 2.635 10 5 EFBERO COC(=O)/C=C/c1ccc(NCCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000775484028 1292668217 /nfs/dbraw/zinc/66/82/17/1292668217.db2.gz ZZNIAUYQKXXKSW-FNORWQNLSA-N 1 0 344.371 2.870 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882728194 1293300228 /nfs/dbraw/zinc/30/02/28/1293300228.db2.gz QBNIGXIIFUPMET-OAHLLOKOSA-N 1 0 347.415 2.535 10 5 EFBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882820287 1293337498 /nfs/dbraw/zinc/33/74/98/1293337498.db2.gz KMEIOSAHIHXZAI-CYBMUJFWSA-N 1 0 340.383 2.908 10 5 EFBERO CC(=O)c1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000882820188 1293338057 /nfs/dbraw/zinc/33/80/57/1293338057.db2.gz HOJXJLLSNLSEOQ-ZDUSSCGKSA-N 1 0 340.383 2.908 10 5 EFBERO CCOC(=O)C[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001193688091 1293410063 /nfs/dbraw/zinc/41/00/63/1293410063.db2.gz XSBKSOWSFUUUIM-QGZVFWFLSA-N 1 0 338.404 2.931 10 5 EFBERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC001194176797 1293544538 /nfs/dbraw/zinc/54/45/38/1293544538.db2.gz QAMYLHQUINCONR-AWEZNQCLSA-N 1 0 343.811 2.572 10 5 EFBERO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001196176897 1294158388 /nfs/dbraw/zinc/15/83/88/1294158388.db2.gz YYKAJXOMKDKYOX-ZIAGYGMSSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC001196789823 1294366775 /nfs/dbraw/zinc/36/67/75/1294366775.db2.gz OKKWZLTZFDAUBW-LBPRGKRZSA-N 1 0 343.387 2.574 10 5 EFBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C2CC2)CC1 ZINC001273728911 1294374997 /nfs/dbraw/zinc/37/49/97/1294374997.db2.gz CDKQDNDVFLNGOE-UHFFFAOYSA-N 1 0 331.416 2.866 10 5 EFBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)O2 ZINC000886339309 1294872620 /nfs/dbraw/zinc/87/26/20/1294872620.db2.gz YNNPOMNFUOSXLA-PZNPJNSTSA-N 1 0 338.379 2.796 10 5 EFBERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)O2)[C@H]1C ZINC000886341103 1294874653 /nfs/dbraw/zinc/87/46/53/1294874653.db2.gz PRISUAXYUPZDIQ-TZQJONAQSA-N 1 0 326.418 2.719 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001198612299 1295148014 /nfs/dbraw/zinc/14/80/14/1295148014.db2.gz NDSJLMJFIAANLV-KGLIPLIRSA-N 1 0 329.404 2.972 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001198705004 1295217437 /nfs/dbraw/zinc/21/74/37/1295217437.db2.gz GETJHQALYLEMEX-HNNXBMFYSA-N 1 0 333.388 2.533 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001198790416 1295231743 /nfs/dbraw/zinc/23/17/43/1295231743.db2.gz GXSANXYPAYQICE-SJLPKXTDSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1Cl ZINC000887924423 1295626558 /nfs/dbraw/zinc/62/65/58/1295626558.db2.gz KLJCZBLNVOAPMM-BZNIZROVSA-N 1 0 337.807 2.580 10 5 EFBERO O=C(/C=C\c1ccco1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273804886 1295919738 /nfs/dbraw/zinc/91/97/38/1295919738.db2.gz KVRINSKVQSHAMY-XNFVDKGPSA-N 1 0 341.367 2.663 10 5 EFBERO C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000925764216 1296876925 /nfs/dbraw/zinc/87/69/25/1296876925.db2.gz XGLFCLGYGIHESS-JOYOIKCWSA-N 1 0 328.210 2.587 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CCCCCO)CC1 ZINC000931497628 1297347282 /nfs/dbraw/zinc/34/72/82/1297347282.db2.gz PFJJRWYTQYRAPM-UHFFFAOYSA-N 1 0 341.839 2.528 10 5 EFBERO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC001488743780 1297752948 /nfs/dbraw/zinc/75/29/48/1297752948.db2.gz JZQBFMVJDJGXCI-VDISTLRHSA-N 1 0 349.456 2.831 10 5 EFBERO [NH3+]Cc1nc2c(s1)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000903940766 1313453515 /nfs/dbraw/zinc/45/35/15/1313453515.db2.gz DJRXCRGSRXZRFJ-HWKANZROSA-N 1 0 330.413 2.582 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903975304 1313522798 /nfs/dbraw/zinc/52/27/98/1313522798.db2.gz ZOASMQWRWKISJL-NVXWUHKLSA-N 1 0 347.459 2.664 10 5 EFBERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000851896485 1299453612 /nfs/dbraw/zinc/45/36/12/1299453612.db2.gz KBGKKBTUXIGJEJ-FZMZJTMJSA-N 1 0 346.320 2.830 10 5 EFBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585844 1299653653 /nfs/dbraw/zinc/65/36/53/1299653653.db2.gz ANCNKVZUMVKQRG-SCLBCKFNSA-N 1 0 330.384 2.897 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351703 1299672554 /nfs/dbraw/zinc/67/25/54/1299672554.db2.gz SKVUJEKLYXOLTR-GLQYFDAESA-N 1 0 342.823 2.904 10 5 EFBERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591845 1299688319 /nfs/dbraw/zinc/68/83/19/1299688319.db2.gz IGELSDSYXPVQKV-SKDZVZGDSA-N 1 0 336.432 2.795 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000852561620 1299757478 /nfs/dbraw/zinc/75/74/78/1299757478.db2.gz QOFGCRVXXCTLEA-ZBFHGGJFSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000852563367 1299758643 /nfs/dbraw/zinc/75/86/43/1299758643.db2.gz RPRIVMFEAOTNMR-CZUORRHYSA-N 1 0 332.379 2.968 10 5 EFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000852759665 1299871330 /nfs/dbraw/zinc/87/13/30/1299871330.db2.gz SAIMASOBJVKQMM-OKZBNKHCSA-N 1 0 332.400 2.521 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000852760648 1299871374 /nfs/dbraw/zinc/87/13/74/1299871374.db2.gz KNDCIFAZIBXVKT-HNNXBMFYSA-N 1 0 341.839 2.791 10 5 EFBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001691740121 1300229255 /nfs/dbraw/zinc/22/92/55/1300229255.db2.gz KCVWLRBLAUGOPC-OTVXOJSOSA-N 1 0 331.416 2.769 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000853689007 1300230307 /nfs/dbraw/zinc/23/03/07/1300230307.db2.gz WDTGEELUROICNH-UHFFFAOYSA-N 1 0 339.823 2.939 10 5 EFBERO C/C(=C/C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000854498133 1300593111 /nfs/dbraw/zinc/59/31/11/1300593111.db2.gz LMHJZNFOPNDJMW-SQFISAMPSA-N 1 0 343.427 2.942 10 5 EFBERO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000855286252 1300890889 /nfs/dbraw/zinc/89/08/89/1300890889.db2.gz NPENUJJIOGUECD-BMOGTNHUSA-N 1 0 331.416 2.987 10 5 EFBERO CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000855489875 1300977934 /nfs/dbraw/zinc/97/79/34/1300977934.db2.gz CDXRIVOVYZNSBY-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000855490626 1300978342 /nfs/dbraw/zinc/97/83/42/1300978342.db2.gz NCJJZQAKGLZTOB-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CCN(C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489590 1300979109 /nfs/dbraw/zinc/97/91/09/1300979109.db2.gz ATWPNFHTJPOYMN-ABDJAZHISA-N 1 0 331.416 2.941 10 5 EFBERO CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000855490760 1300979530 /nfs/dbraw/zinc/97/95/30/1300979530.db2.gz LARFXCXIWURHPJ-AWEZNQCLSA-N 1 0 341.358 2.629 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000859615155 1301509266 /nfs/dbraw/zinc/50/92/66/1301509266.db2.gz GIYGSKRAQDMGOM-GASCZTMLSA-N 1 0 338.795 2.712 10 5 EFBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000859686910 1301535007 /nfs/dbraw/zinc/53/50/07/1301535007.db2.gz XPLAYMOIYBXZIC-GASCZTMLSA-N 1 0 338.795 2.712 10 5 EFBERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010672 1301673095 /nfs/dbraw/zinc/67/30/95/1301673095.db2.gz GUENBNGMTAAALA-XIKOKIGWSA-N 1 0 339.395 2.961 10 5 EFBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347200 1302092011 /nfs/dbraw/zinc/09/20/11/1302092011.db2.gz HHOORPMJJAUPSM-GNOWRCIYSA-N 1 0 348.399 2.651 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861360907 1302105916 /nfs/dbraw/zinc/10/59/16/1302105916.db2.gz LTJGGMMFMZTKBX-UHFFFAOYSA-N 1 0 334.372 2.636 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)C[C@@H]2C1 ZINC000861774082 1302203751 /nfs/dbraw/zinc/20/37/51/1302203751.db2.gz INOGRWDZMIXBPQ-CABCVRRESA-N 1 0 339.395 2.772 10 5 EFBERO Cc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000865787031 1303399881 /nfs/dbraw/zinc/39/98/81/1303399881.db2.gz ZGUXGGPXRGZGDI-UHFFFAOYSA-N 1 0 327.388 2.583 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C(F)F)c1 ZINC000865956825 1303468744 /nfs/dbraw/zinc/46/87/44/1303468744.db2.gz PMXXEIGNQHBWTF-CYBMUJFWSA-N 1 0 341.358 2.568 10 5 EFBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@@H+]3C3CCCCCC3)nn21 ZINC000866192333 1303557629 /nfs/dbraw/zinc/55/76/29/1303557629.db2.gz IYBHEIVNYXCSGP-CQSZACIVSA-N 1 0 344.419 2.847 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@@H]21 ZINC000866205409 1303562453 /nfs/dbraw/zinc/56/24/53/1303562453.db2.gz LMVZAZPGNQUYMS-JQWIXIFHSA-N 1 0 327.331 2.727 10 5 EFBERO COc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866207283 1303562723 /nfs/dbraw/zinc/56/27/23/1303562723.db2.gz CDOQLQRHXFUMCU-ZYHUDNBSSA-N 1 0 325.796 2.787 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@H]21 ZINC000866205408 1303563081 /nfs/dbraw/zinc/56/30/81/1303563081.db2.gz LMVZAZPGNQUYMS-CMPLNLGQSA-N 1 0 327.331 2.727 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208363 1303563601 /nfs/dbraw/zinc/56/36/01/1303563601.db2.gz UCGKHVNGYPCHLL-JQWIXIFHSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866209640 1303564566 /nfs/dbraw/zinc/56/45/66/1303564566.db2.gz SSBYXARNHALLSY-ZYHUDNBSSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@H]21 ZINC000866210225 1303565518 /nfs/dbraw/zinc/56/55/18/1303565518.db2.gz ZSVOFJOGVKIEDP-CMPLNLGQSA-N 1 0 340.221 2.888 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000866540284 1303679571 /nfs/dbraw/zinc/67/95/71/1303679571.db2.gz XRRTVBTVXYGBHM-MWDXBVQZSA-N 1 0 348.447 2.927 10 5 EFBERO C[C@@H](Cc1ccccc1F)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943792 1304031835 /nfs/dbraw/zinc/03/18/35/1304031835.db2.gz GMJGCLFZLHCTAI-KPZWWZAWSA-N 1 0 345.374 2.655 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000867990301 1304064004 /nfs/dbraw/zinc/06/40/04/1304064004.db2.gz MPMXQRDHSQZEKK-KRWDZBQOSA-N 1 0 325.368 2.963 10 5 EFBERO Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000868682992 1304418356 /nfs/dbraw/zinc/41/83/56/1304418356.db2.gz YBQSCDCYNUCJMT-UHFFFAOYSA-N 1 0 346.431 2.719 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000868755519 1304457523 /nfs/dbraw/zinc/45/75/23/1304457523.db2.gz ISGCIHGUODFPHS-HOTGVXAUSA-N 1 0 346.431 2.719 10 5 EFBERO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000868755518 1304457612 /nfs/dbraw/zinc/45/76/12/1304457612.db2.gz ISGCIHGUODFPHS-CVEARBPZSA-N 1 0 346.431 2.719 10 5 EFBERO Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000869053215 1304591706 /nfs/dbraw/zinc/59/17/06/1304591706.db2.gz JYJJUGBIZJUNND-MRXNPFEDSA-N 1 0 346.431 2.673 10 5 EFBERO Cc1c(CC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000870508095 1305367606 /nfs/dbraw/zinc/36/76/06/1305367606.db2.gz RILSMZHUFJRFMS-UHFFFAOYSA-N 1 0 345.443 2.780 10 5 EFBERO C/C(=C\C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000795128553 1305397050 /nfs/dbraw/zinc/39/70/50/1305397050.db2.gz HFMXPIMSRVWGAZ-GPZRYRNASA-N 1 0 329.400 2.552 10 5 EFBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870569558 1305403794 /nfs/dbraw/zinc/40/37/94/1305403794.db2.gz CESUQDOIXYUFBJ-INIZCTEOSA-N 1 0 346.387 2.524 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000870570732 1305404699 /nfs/dbraw/zinc/40/46/99/1305404699.db2.gz RJZSHHJNKYASPD-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000870570934 1305405403 /nfs/dbraw/zinc/40/54/03/1305405403.db2.gz GEVOZCQYVUYYQX-MRXNPFEDSA-N 1 0 346.387 2.524 10 5 EFBERO C[N@@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871153834 1305842148 /nfs/dbraw/zinc/84/21/48/1305842148.db2.gz NABWQMSLTHFKMN-UHFFFAOYSA-N 1 0 333.432 2.815 10 5 EFBERO C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871158372 1305853241 /nfs/dbraw/zinc/85/32/41/1305853241.db2.gz ZSEUNVJDFHUNQI-UHFFFAOYSA-N 1 0 347.415 2.500 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871360005 1306018872 /nfs/dbraw/zinc/01/88/72/1306018872.db2.gz DJOYHSGHWOBEOV-UHFFFAOYSA-N 1 0 349.431 2.986 10 5 EFBERO Cc1c(CC(=O)NC2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000871361982 1306022739 /nfs/dbraw/zinc/02/27/39/1306022739.db2.gz VEYSLFYCSPSCSV-UHFFFAOYSA-N 1 0 333.432 2.825 10 5 EFBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900523566 1308254808 /nfs/dbraw/zinc/25/48/08/1308254808.db2.gz SUMLPOHRWXIORS-JTQLQIEISA-N 1 0 329.759 2.554 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC000901317381 1310129280 /nfs/dbraw/zinc/12/92/80/1310129280.db2.gz JCIVNMVGQUCPET-CABCVRRESA-N 1 0 329.400 2.809 10 5 EFBERO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751672724 1311130763 /nfs/dbraw/zinc/13/07/63/1311130763.db2.gz IFPWAJBXRZKLEY-YVGNARHYSA-N 1 0 331.416 2.845 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000751725220 1311133150 /nfs/dbraw/zinc/13/31/50/1311133150.db2.gz HHNPZELFBXAKMM-ATGUSINASA-N 1 0 331.416 2.846 10 5 EFBERO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000751725224 1311133363 /nfs/dbraw/zinc/13/33/63/1311133363.db2.gz HHNPZELFBXAKMM-QKXCFHHRSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001159143244 1311459719 /nfs/dbraw/zinc/45/97/19/1311459719.db2.gz YQPJWEZHDHOLPQ-NVXWUHKLSA-N 1 0 346.431 2.633 10 5 EFBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001160195139 1311662381 /nfs/dbraw/zinc/66/23/81/1311662381.db2.gz ZSFANNQHMAWNCS-GFCCVEGCSA-N 1 0 325.384 2.893 10 5 EFBERO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001162004201 1312026658 /nfs/dbraw/zinc/02/66/58/1312026658.db2.gz GBWRVBVGBBKMPI-CQSZACIVSA-N 1 0 349.431 2.987 10 5 EFBERO COC(=O)Cc1ccc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001162273651 1312079538 /nfs/dbraw/zinc/07/95/38/1312079538.db2.gz SFSVTJDWDMSMDJ-UHFFFAOYSA-N 1 0 349.431 2.987 10 5 EFBERO CCCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277388269 1312098021 /nfs/dbraw/zinc/09/80/21/1312098021.db2.gz JLZGNDIFSQHCRZ-IAGOWNOFSA-N 1 0 337.464 2.545 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001230515621 1312251808 /nfs/dbraw/zinc/25/18/08/1312251808.db2.gz WRZWCLKIFYDPOC-IKGGRYGDSA-N 1 0 346.431 2.924 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1(C)C ZINC001163571321 1312340098 /nfs/dbraw/zinc/34/00/98/1312340098.db2.gz JYYPHMVLXICDKY-HOTGVXAUSA-N 1 0 346.431 2.628 10 5 EFBERO COc1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1OC ZINC001163721673 1312371995 /nfs/dbraw/zinc/37/19/95/1312371995.db2.gz NFRIBGYNTVXRHI-HOTGVXAUSA-N 1 0 335.404 2.897 10 5 EFBERO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163900995 1312404931 /nfs/dbraw/zinc/40/49/31/1312404931.db2.gz HNGCGBVAASTMCJ-BBRMVZONSA-N 1 0 341.415 2.873 10 5 EFBERO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903156180 1312416104 /nfs/dbraw/zinc/41/61/04/1312416104.db2.gz OYHBELWVRJFORS-VEAWUBTESA-N 1 0 340.445 2.849 10 5 EFBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001164351104 1312497711 /nfs/dbraw/zinc/49/77/11/1312497711.db2.gz NFVPFRPYYRUFJX-SNVBAGLBSA-N 1 0 341.209 2.506 10 5 EFBERO NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000903260263 1312515482 /nfs/dbraw/zinc/51/54/82/1312515482.db2.gz MZVYYRGLJJFFPG-UNRBTCAZSA-N 1 0 331.416 2.550 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269701 1312525398 /nfs/dbraw/zinc/52/53/98/1312525398.db2.gz BCANERPNMCWZRP-LNSITVRQSA-N 1 0 339.436 2.964 10 5 EFBERO CO[C@@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000903316061 1312564259 /nfs/dbraw/zinc/56/42/59/1312564259.db2.gz MIQBANGQNOUCOV-IAQYHMDHSA-N 1 0 328.409 2.777 10 5 EFBERO CC(C)O[C@]1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000903357770 1312595168 /nfs/dbraw/zinc/59/51/68/1312595168.db2.gz PAISINOGJXJDFM-WBMJQRKESA-N 1 0 326.368 2.969 10 5 EFBERO Cc1c(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001278896746 1315881662 /nfs/dbraw/zinc/88/16/62/1315881662.db2.gz JLFJVSHOEJZDPZ-UHFFFAOYSA-N 1 0 342.267 2.678 10 5 EFBERO O=C(N1CCC[N@@H+]2CCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001261847994 1316433489 /nfs/dbraw/zinc/43/34/89/1316433489.db2.gz KHDRPCHHPPKWTD-QGZVFWFLSA-N 1 0 343.427 2.713 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001265098650 1316720420 /nfs/dbraw/zinc/72/04/20/1316720420.db2.gz UKJGYDKVISADLU-UHFFFAOYSA-N 1 0 330.388 2.565 10 5 EFBERO CC1(CC(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)CC1 ZINC001280493123 1317586671 /nfs/dbraw/zinc/58/66/71/1317586671.db2.gz HIAVHUABIUJSQV-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CC(C)(C)CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319019475 1328764915 /nfs/dbraw/zinc/76/49/15/1328764915.db2.gz WXCUZBLKNVCNJJ-HZPDHXFCSA-N 1 0 339.480 2.696 10 5 EFBERO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCC1 ZINC001316631455 1320238720 /nfs/dbraw/zinc/23/87/20/1320238720.db2.gz BDWNHFNVTLUMFW-SHTZXODSSA-N 1 0 349.406 2.862 10 5 EFBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001289204288 1321803248 /nfs/dbraw/zinc/80/32/48/1321803248.db2.gz JIYRJLLSADNBAT-HNNXBMFYSA-N 1 0 349.431 2.552 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001293327169 1322230350 /nfs/dbraw/zinc/23/03/50/1322230350.db2.gz CFMLZJGJNCXIMS-NSHDSACASA-N 1 0 343.786 2.992 10 5 EFBERO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)CC1 ZINC001293500898 1322269955 /nfs/dbraw/zinc/26/99/55/1322269955.db2.gz OPNATFOODPMUNH-UHFFFAOYSA-N 1 0 346.431 2.514 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987708 1322836890 /nfs/dbraw/zinc/83/68/90/1322836890.db2.gz BQGPTASDWNAGNG-CQSZACIVSA-N 1 0 331.376 2.530 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001296127060 1322857038 /nfs/dbraw/zinc/85/70/38/1322857038.db2.gz MDJJEFUWEZANPO-ZDUSSCGKSA-N 1 0 335.404 2.596 10 5 EFBERO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001296399800 1322903841 /nfs/dbraw/zinc/90/38/41/1322903841.db2.gz CEDZFMJTPWPEOP-ZDUSSCGKSA-N 1 0 339.823 2.733 10 5 EFBERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001298637454 1323580537 /nfs/dbraw/zinc/58/05/37/1323580537.db2.gz PJVGZASGXQMMND-HNNXBMFYSA-N 1 0 337.395 2.974 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C12CCC2 ZINC001301549586 1324548651 /nfs/dbraw/zinc/54/86/51/1324548651.db2.gz VFLVUBWKCKULEK-ZIAGYGMSSA-N 1 0 337.807 2.851 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001303540497 1324609785 /nfs/dbraw/zinc/60/97/85/1324609785.db2.gz REXHRNHUWDGPEU-CQSZACIVSA-N 1 0 331.416 2.992 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001304695491 1324659760 /nfs/dbraw/zinc/65/97/60/1324659760.db2.gz DJDKNXUDPANVPJ-UHFFFAOYSA-N 1 0 335.379 2.789 10 5 EFBERO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]cc1C(F)(F)F ZINC001306921199 1324731925 /nfs/dbraw/zinc/73/19/25/1324731925.db2.gz VFGWYLSVYSTUBB-UHFFFAOYSA-N 1 0 326.278 2.955 10 5 EFBERO CC[NH+]1CCC(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306941355 1324733956 /nfs/dbraw/zinc/73/39/56/1324733956.db2.gz GODWIJUWXCVBPT-UHFFFAOYSA-N 1 0 332.379 2.848 10 5 EFBERO C[N@@H+]1CCC[C@H](CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001307138260 1324744096 /nfs/dbraw/zinc/74/40/96/1324744096.db2.gz ZKCYOIAONIAYBK-GFCCVEGCSA-N 1 0 332.379 2.848 10 5 EFBERO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC001307236701 1324753477 /nfs/dbraw/zinc/75/34/77/1324753477.db2.gz NFLAJDSBKLSRHD-HNNXBMFYSA-N 1 0 327.384 2.624 10 5 EFBERO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC(CO)CC1 ZINC001307592806 1324773427 /nfs/dbraw/zinc/77/34/27/1324773427.db2.gz RADPEUJWWYTFLF-UHFFFAOYSA-N 1 0 346.387 2.628 10 5 EFBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC001307623157 1324774553 /nfs/dbraw/zinc/77/45/53/1324774553.db2.gz TXCIRERTWUIGGP-JTQLQIEISA-N 1 0 334.763 2.933 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC001308108783 1324794600 /nfs/dbraw/zinc/79/46/00/1324794600.db2.gz LTRCDQJJXLPAKT-CJNGLKHVSA-N 1 0 349.431 2.761 10 5 EFBERO CC[C@@H](NC(=O)N1CC[N@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312315437 1324983758 /nfs/dbraw/zinc/98/37/58/1324983758.db2.gz ZODPEIWJARHHOH-CZUORRHYSA-N 1 0 334.420 2.782 10 5 EFBERO O=C(NCCC[N@H+](CC1CCCCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316914884 1325339152 /nfs/dbraw/zinc/33/91/52/1325339152.db2.gz MQEGTLIYLKMZMB-IAGOWNOFSA-N 1 0 337.464 2.593 10 5 EFBERO O=C(CCC1CCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317075982 1325544313 /nfs/dbraw/zinc/54/43/13/1325544313.db2.gz LZEWOJGHMMSTJH-WKILWMFISA-N 1 0 331.416 2.912 10 5 EFBERO CC[N@H+](CCNC(=O)c1[nH]c(C)cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317482387 1328065747 /nfs/dbraw/zinc/06/57/47/1328065747.db2.gz RXICSJUXQAXYDO-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO Cc1[nH]ccc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317550399 1328134924 /nfs/dbraw/zinc/13/49/24/1328134924.db2.gz CPCWSEBRZQZZCK-UHFFFAOYSA-N 1 0 342.399 2.626 10 5 EFBERO CC(C)c1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317624426 1328205552 /nfs/dbraw/zinc/20/55/52/1328205552.db2.gz SBJSYWRVWCPAAN-UHFFFAOYSA-N 1 0 344.415 2.908 10 5 EFBERO Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317658360 1328245706 /nfs/dbraw/zinc/24/57/06/1328245706.db2.gz SEUVGKNTPMLDDV-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001317665550 1328257016 /nfs/dbraw/zinc/25/70/16/1328257016.db2.gz VOVHEPZLBAOTHE-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(F)(F)F ZINC001322452893 1329459583 /nfs/dbraw/zinc/45/95/83/1329459583.db2.gz VFQFXASOWXILQZ-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001322480771 1329461474 /nfs/dbraw/zinc/46/14/74/1329461474.db2.gz JJSXKGFBDOXNAR-UHFFFAOYSA-N 1 0 331.372 2.748 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001322658596 1329476669 /nfs/dbraw/zinc/47/66/69/1329476669.db2.gz ZGYKATRFSCEISH-ZSHCYNCHSA-N 1 0 331.416 2.579 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001322680105 1329478697 /nfs/dbraw/zinc/47/86/97/1329478697.db2.gz DPOSKUAWVGHQLR-UONOGXRCSA-N 1 0 335.404 2.596 10 5 EFBERO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001322712048 1329481788 /nfs/dbraw/zinc/48/17/88/1329481788.db2.gz PSSGUXAMDAOWTI-HOTGVXAUSA-N 1 0 330.388 2.679 10 5 EFBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC001323384496 1329539787 /nfs/dbraw/zinc/53/97/87/1329539787.db2.gz GONANSSITXLAJY-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001326246629 1329741746 /nfs/dbraw/zinc/74/17/46/1329741746.db2.gz YQGKWJDKUFFJDH-JSGCOSHPSA-N 1 0 325.796 2.724 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326496603 1330305382 /nfs/dbraw/zinc/30/53/82/1330305382.db2.gz KZNKRYMOXKDONW-UHFFFAOYSA-N 1 0 348.447 2.640 10 5 EFBERO C/C(=C\C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571742 1330319653 /nfs/dbraw/zinc/31/96/53/1330319653.db2.gz AQUXSOQUPYHNNW-XDPMZMSMSA-N 1 0 343.427 2.941 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001327177864 1330437127 /nfs/dbraw/zinc/43/71/27/1330437127.db2.gz RHVQJGMIXNRFHH-UHFFFAOYSA-N 1 0 342.399 2.584 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)F ZINC001327175619 1330437171 /nfs/dbraw/zinc/43/71/71/1330437171.db2.gz BMIJNSQLHLSQHT-UHFFFAOYSA-N 1 0 325.384 2.623 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327555387 1330497482 /nfs/dbraw/zinc/49/74/82/1330497482.db2.gz HFXTXJJDLCPKQJ-GOSISDBHSA-N 1 0 349.406 2.692 10 5 EFBERO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC001327643023 1330503734 /nfs/dbraw/zinc/50/37/34/1330503734.db2.gz OAMNHWTXZJFMBC-ZDUSSCGKSA-N 1 0 335.404 2.834 10 5 EFBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001328103210 1330557033 /nfs/dbraw/zinc/55/70/33/1330557033.db2.gz LEYGGINEPMAYOB-FPYNETTCSA-N 1 0 326.347 2.908 10 5 EFBERO CCC(CC)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328575211 1330604010 /nfs/dbraw/zinc/60/40/10/1330604010.db2.gz VCDHWVXSXALPAE-IAGOWNOFSA-N 1 0 339.480 2.648 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001329348372 1330697488 /nfs/dbraw/zinc/69/74/88/1330697488.db2.gz FARIKJIHEAGRQE-DTWKUNHWSA-N 1 0 335.330 2.632 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)CC[C@H]21 ZINC001329748437 1330733393 /nfs/dbraw/zinc/73/33/93/1330733393.db2.gz KGFFUJNMDIAPTP-QMTHXVAHSA-N 1 0 347.806 2.722 10 5 EFBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCC(O)CC3)CC2)cc1 ZINC001329875911 1330744881 /nfs/dbraw/zinc/74/48/81/1330744881.db2.gz GAYQHOKHKJEBFB-UHFFFAOYSA-N 1 0 334.416 2.989 10 5 EFBERO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC001331867105 1330883029 /nfs/dbraw/zinc/88/30/29/1330883029.db2.gz BNTMGWNQYYEIEH-OCCSQVGLSA-N 1 0 327.384 2.961 10 5 EFBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001332234303 1330945319 /nfs/dbraw/zinc/94/53/19/1330945319.db2.gz VKTHNXFUHSBEII-UHFFFAOYSA-N 1 0 334.420 2.583 10 5 EFBERO COc1cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1O ZINC001333308272 1331111960 /nfs/dbraw/zinc/11/19/60/1331111960.db2.gz VGBNYURSHZDCLK-OUAUKWLOSA-N 1 0 328.315 2.832 10 5 EFBERO CC(=O)c1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001333825905 1331220921 /nfs/dbraw/zinc/22/09/21/1331220921.db2.gz JNCIJNJQJRFWKX-RRFJBIMHSA-N 1 0 331.416 2.964 10 5 EFBERO O=[N+]([O-])c1ccn(C2CC[NH+](CCSc3ccncc3)CC2)n1 ZINC001335957431 1331420373 /nfs/dbraw/zinc/42/03/73/1331420373.db2.gz AZWBMTXNMDLSOM-UHFFFAOYSA-N 1 0 333.417 2.616 10 5 EFBERO CC[NH+](CC)CC[C@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001338379884 1331700882 /nfs/dbraw/zinc/70/08/82/1331700882.db2.gz GKRSSZFYLOLRCL-NSHDSACASA-N 1 0 338.408 2.617 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1-c1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001341570905 1332268711 /nfs/dbraw/zinc/26/87/11/1332268711.db2.gz MTZNCNQDGNVYFS-UHFFFAOYSA-N 1 0 331.376 2.623 10 5 EFBERO C[N@@H+]1C[C@@]23CN(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001344686998 1332474115 /nfs/dbraw/zinc/47/41/15/1332474115.db2.gz VLFAKCXOSOTXJG-HDICACEKSA-N 1 0 344.415 2.935 10 5 EFBERO COc1cc(C(=O)NCC23CCC[NH+](CCC2)C3)cc([N+](=O)[O-])c1C ZINC001347131671 1332719286 /nfs/dbraw/zinc/71/92/86/1332719286.db2.gz DBEFXSJDNQNDOD-UHFFFAOYSA-N 1 0 347.415 2.518 10 5 EFBERO CSc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC001347132428 1332719329 /nfs/dbraw/zinc/71/93/29/1332719329.db2.gz OMFOBMPIUHBMCT-UHFFFAOYSA-N 1 0 349.456 2.923 10 5 EFBERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC001348111519 1332800973 /nfs/dbraw/zinc/80/09/73/1332800973.db2.gz ZNNFGECBTOMXDA-CABCVRRESA-N 1 0 345.403 2.511 10 5 EFBERO CC[NH+](CC)CC[C@@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001349878644 1333008575 /nfs/dbraw/zinc/00/85/75/1333008575.db2.gz AHTXQDLJACACRI-GFCCVEGCSA-N 1 0 343.374 2.923 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001349960592 1333018764 /nfs/dbraw/zinc/01/87/64/1333018764.db2.gz SWEXQLNIGDSUIY-XQQFMLRXSA-N 1 0 332.404 2.695 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])cc1Cl ZINC001350121129 1333037751 /nfs/dbraw/zinc/03/77/51/1333037751.db2.gz GLJBDGBRERXCAE-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001350245706 1333053159 /nfs/dbraw/zinc/05/31/59/1333053159.db2.gz KPKVQIVOZCZDOC-SJCJKPOMSA-N 1 0 340.383 2.916 10 5 EFBERO CC(C)(NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccc([N+](=O)[O-])cc1 ZINC001350590234 1333100335 /nfs/dbraw/zinc/10/03/35/1333100335.db2.gz UTIVHZUXYKZGNI-HOCLYGCPSA-N 1 0 331.416 2.963 10 5 EFBERO CC(C)(NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccc([N+](=O)[O-])cc1 ZINC001350590229 1333100467 /nfs/dbraw/zinc/10/04/67/1333100467.db2.gz UTIVHZUXYKZGNI-GOEBONIOSA-N 1 0 331.416 2.963 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001352034884 1333360695 /nfs/dbraw/zinc/36/06/95/1333360695.db2.gz KQIFYMMJQHXQDI-UHFFFAOYSA-N 1 0 349.406 2.611 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000847180383 1333386392 /nfs/dbraw/zinc/38/63/92/1333386392.db2.gz QFAVXYPRCMMUPT-PHIMTYICSA-N 1 0 325.796 2.627 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001352466005 1333550224 /nfs/dbraw/zinc/55/02/24/1333550224.db2.gz SDKKRJPEDZNKOR-UHFFFAOYSA-N 1 0 342.399 2.682 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001352466182 1333550320 /nfs/dbraw/zinc/55/03/20/1333550320.db2.gz SQEVSRYIHMDODK-UHFFFAOYSA-N 1 0 331.416 2.817 10 5 EFBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001352474715 1333555595 /nfs/dbraw/zinc/55/55/95/1333555595.db2.gz KGDZTCOIBCOHNE-UHFFFAOYSA-N 1 0 337.807 2.854 10 5 EFBERO C[C@@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001352969165 1333837114 /nfs/dbraw/zinc/83/71/14/1333837114.db2.gz KIAXRIUUDYVAPO-LGWLGOQQSA-N 1 0 331.416 2.892 10 5 EFBERO C[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001352969167 1333837217 /nfs/dbraw/zinc/83/72/17/1333837217.db2.gz KIAXRIUUDYVAPO-LNCBFAARSA-N 1 0 331.416 2.892 10 5 EFBERO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001354581800 1334387786 /nfs/dbraw/zinc/38/77/86/1334387786.db2.gz XEVFRPIOUREYEA-UHFFFAOYSA-N 1 0 339.823 2.783 10 5 EFBERO C[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001354687011 1334460245 /nfs/dbraw/zinc/46/02/45/1334460245.db2.gz BLEJRNMTMWWSKB-CYBMUJFWSA-N 1 0 337.395 2.515 10 5 EFBERO CCC1CC[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848474798 1334734676 /nfs/dbraw/zinc/73/46/76/1334734676.db2.gz IEMNAWIBCQMACG-KRWDZBQOSA-N 1 0 331.416 2.990 10 5 EFBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000848476337 1334735621 /nfs/dbraw/zinc/73/56/21/1334735621.db2.gz ABGRVJOSFRDANZ-IRXDYDNUSA-N 1 0 329.400 2.743 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+](CC1CC1)CC1CC1 ZINC000848478022 1334736009 /nfs/dbraw/zinc/73/60/09/1334736009.db2.gz ASWILZZZUKTFFY-GOSISDBHSA-N 1 0 343.427 2.990 10 5 EFBERO C[C@@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476972 1334736112 /nfs/dbraw/zinc/73/61/12/1334736112.db2.gz JKZKGGUQJZKGLU-PBHICJAKSA-N 1 0 331.416 2.990 10 5 EFBERO C[C@@H]1[C@H](C)SCCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478887 1334736822 /nfs/dbraw/zinc/73/68/22/1334736822.db2.gz OAVHZICNBWJGOT-DVOMOZLQSA-N 1 0 349.456 2.694 10 5 EFBERO CSC[C@@H]1CCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482663 1334740391 /nfs/dbraw/zinc/74/03/91/1334740391.db2.gz SRMMWVJXTIWZLD-JKSUJKDBSA-N 1 0 349.456 2.696 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000848482665 1334740547 /nfs/dbraw/zinc/74/05/47/1334740547.db2.gz SSYGXKHNZDQUDB-PBHICJAKSA-N 1 0 342.399 2.917 10 5 EFBERO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561652 1334796062 /nfs/dbraw/zinc/79/60/62/1334796062.db2.gz ASVDXEQNKYMRFU-UPJWGTAASA-N 1 0 341.839 2.836 10 5 EFBERO CC1(C)C[C@@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569311 1334798836 /nfs/dbraw/zinc/79/88/36/1334798836.db2.gz DGBNRUXPLGQHAP-XJKSGUPXSA-N 1 0 345.399 2.890 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578720 1334805445 /nfs/dbraw/zinc/80/54/45/1334805445.db2.gz ZSDLRTHVYPXIJG-FGLWMGOFSA-N 1 0 331.372 2.571 10 5 EFBERO CC[N@@H+]1C[C@@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C ZINC001358022174 1335355083 /nfs/dbraw/zinc/35/50/83/1335355083.db2.gz JFHZSADDUSZZLL-HUUCEWRRSA-N 1 0 345.443 2.958 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001361147212 1335955697 /nfs/dbraw/zinc/95/56/97/1335955697.db2.gz XUSQREQVHOYEQD-QGZVFWFLSA-N 1 0 333.432 2.907 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001439350959 1389177037 /nfs/dbraw/zinc/17/70/37/1389177037.db2.gz VKDUFATVPFMQSV-UHFFFAOYSA-N 1 0 346.431 2.825 10 5 EFBERO C[NH+](C)[C@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001450775746 1392745299 /nfs/dbraw/zinc/74/52/99/1392745299.db2.gz TXWCYQJANYUTSH-OAHLLOKOSA-N 1 0 328.372 2.809 10 5 EFBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001457079387 1394958669 /nfs/dbraw/zinc/95/86/69/1394958669.db2.gz BDRMUTAKZRRMAG-PBHICJAKSA-N 1 0 346.431 2.512 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1C ZINC001458407262 1395462057 /nfs/dbraw/zinc/46/20/57/1395462057.db2.gz PTZSJGLBKAJHIP-BETUJISGSA-N 1 0 335.404 2.609 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)cc1C ZINC001458445706 1395469814 /nfs/dbraw/zinc/46/98/14/1395469814.db2.gz YFYRNBHLIFNEDY-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001459406062 1395848302 /nfs/dbraw/zinc/84/83/02/1395848302.db2.gz OFGITYVCILXQFO-UHFFFAOYSA-N 1 0 342.237 2.885 10 5 EFBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC001459625640 1395971131 /nfs/dbraw/zinc/97/11/31/1395971131.db2.gz UDMSAPULCSAIJP-UHFFFAOYSA-N 1 0 336.436 2.771 10 5 EFBERO Cc1ncsc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001460052163 1396001624 /nfs/dbraw/zinc/00/16/24/1396001624.db2.gz ULLNQLILZPSTLK-UHFFFAOYSA-N 1 0 335.433 2.826 10 5 EFBERO CC(=O)Nc1cccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001460617112 1396239112 /nfs/dbraw/zinc/23/91/12/1396239112.db2.gz AAQZRLDSBORXEY-SFHVURJKSA-N 1 0 343.383 2.551 10 5 EFBERO Cc1cc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001468220967 1396935197 /nfs/dbraw/zinc/93/51/97/1396935197.db2.gz CUDGCIYAIGSXGH-UHFFFAOYSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001470491584 1397094012 /nfs/dbraw/zinc/09/40/12/1397094012.db2.gz JQFGTJYBDXZAQD-UHFFFAOYSA-N 1 0 349.406 2.894 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001470796606 1397122655 /nfs/dbraw/zinc/12/26/55/1397122655.db2.gz QEANQKAJSABZBV-OAHLLOKOSA-N 1 0 348.447 2.823 10 5 EFBERO C[C@H](c1ccccc1)N(CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473290855 1397293698 /nfs/dbraw/zinc/29/36/98/1397293698.db2.gz GFCBOXGBAAFVSW-CQSZACIVSA-N 1 0 343.383 2.589 10 5 EFBERO CN(C)c1nc2c(s1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001473763923 1397328746 /nfs/dbraw/zinc/32/87/46/1397328746.db2.gz MFIQRMHVTLSYQO-UHFFFAOYSA-N 1 0 332.429 2.718 10 5 EFBERO CCOc1cc(C[N@@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001473776942 1397330574 /nfs/dbraw/zinc/33/05/74/1397330574.db2.gz BYLMHZQQXHQEHH-AEFFLSMTSA-N 1 0 348.399 2.911 10 5 EFBERO CC[N@H+](CCCNC(=O)CC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001479838428 1397936433 /nfs/dbraw/zinc/93/64/33/1397936433.db2.gz HGGSZGRKMFHBCD-UHFFFAOYSA-N 1 0 347.337 2.875 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001493282610 1398585418 /nfs/dbraw/zinc/58/54/18/1398585418.db2.gz XELRLPDRJICULG-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001493299627 1398595886 /nfs/dbraw/zinc/59/58/86/1398595886.db2.gz RWEOONKHUQXOJW-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO Cc1ccoc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001496661899 1400907602 /nfs/dbraw/zinc/90/76/02/1400907602.db2.gz FCIQNSNMRQHHAG-UHFFFAOYSA-N 1 0 331.372 2.700 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(C)cc1C ZINC001497419143 1401362539 /nfs/dbraw/zinc/36/25/39/1401362539.db2.gz UWOOQFQHCBXOEF-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)c[nH]1 ZINC001497525197 1401435938 /nfs/dbraw/zinc/43/59/38/1401435938.db2.gz ZLIBGKIEIHHSNJ-OWOJBTEDSA-N 1 0 348.790 2.652 10 5 EFBERO C/C(=C/C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534396 1401440744 /nfs/dbraw/zinc/44/07/44/1401440744.db2.gz ATKVFXXVRCOQMC-OXRMAUJYSA-N 1 0 329.400 2.713 10 5 EFBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC001497675858 1401542000 /nfs/dbraw/zinc/54/20/00/1401542000.db2.gz UJUDXSSJTYXQGR-PLNGDYQASA-N 1 0 329.400 2.713 10 5 EFBERO CC/C=C(/C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001501209214 1403493644 /nfs/dbraw/zinc/49/36/44/1403493644.db2.gz WWXPTGWVHYIBEL-PLRRLCDQSA-N 1 0 343.427 2.841 10 5 EFBERO O=C(Cc1ccco1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001502010081 1403945487 /nfs/dbraw/zinc/94/54/87/1403945487.db2.gz DUJBKGMWBDJKOG-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc[nH]1 ZINC001505796363 1405080204 /nfs/dbraw/zinc/08/02/04/1405080204.db2.gz AIRFKZXZYSUJIG-UHFFFAOYSA-N 1 0 344.415 2.811 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001556397268 1415067160 /nfs/dbraw/zinc/06/71/60/1415067160.db2.gz MKJLQXXEVLDJQQ-HNNXBMFYSA-N 1 0 346.431 2.825 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001556775013 1415087617 /nfs/dbraw/zinc/08/76/17/1415087617.db2.gz WIQVXXNZGMLHFC-KRWDZBQOSA-N 1 0 335.379 2.600 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001557008645 1415101587 /nfs/dbraw/zinc/10/15/87/1415101587.db2.gz KPJGUJVEAIUGPR-UHFFFAOYSA-N 1 0 331.347 2.977 10 5 EFBERO Cc1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001557864723 1415149149 /nfs/dbraw/zinc/14/91/49/1415149149.db2.gz HKQITFYWPGUIHH-KRWDZBQOSA-N 1 0 339.395 2.560 10 5 EFBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001558504352 1415183830 /nfs/dbraw/zinc/18/38/30/1415183830.db2.gz XOOMYUYNTIRABD-RISCZKNCSA-N 1 0 337.445 2.532 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001558527606 1415186151 /nfs/dbraw/zinc/18/61/51/1415186151.db2.gz RPXGSOBVQOWYBM-CQSZACIVSA-N 1 0 337.445 2.533 10 5 EFBERO O=[N+]([O-])c1cccc2c1ccnc2N1CCN(c2cc[nH+]cc2)CC1 ZINC001559055975 1415221752 /nfs/dbraw/zinc/22/17/52/1415221752.db2.gz LOIBEXLSTXBYPM-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO COC(=O)Cc1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001559197584 1415229260 /nfs/dbraw/zinc/22/92/60/1415229260.db2.gz IPYXBAMXEUEXJW-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@@H+]3CCCC3(C)C)c2c1 ZINC001559210210 1415229921 /nfs/dbraw/zinc/22/99/21/1415229921.db2.gz GVNLULQWXFVKMK-UHFFFAOYSA-N 1 0 344.415 2.860 10 5 EFBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001559234820 1415232160 /nfs/dbraw/zinc/23/21/60/1415232160.db2.gz QJYQHCVJIIITJT-GFCCVEGCSA-N 1 0 335.404 2.975 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1C ZINC001559304243 1415238983 /nfs/dbraw/zinc/23/89/83/1415238983.db2.gz QGDNSXRTWSZBIH-VHDGCEQUSA-N 1 0 347.415 2.832 10 5 EFBERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559556772 1415250756 /nfs/dbraw/zinc/25/07/56/1415250756.db2.gz JBNNJIVUMIELMO-GJZGRUSLSA-N 1 0 346.387 2.770 10 5 EFBERO C[C@H](c1ccccc1)[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001559664113 1415252217 /nfs/dbraw/zinc/25/22/17/1415252217.db2.gz WJPMIBTUAQHJNP-RDTXWAMCSA-N 1 0 330.384 2.684 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001559665141 1415252256 /nfs/dbraw/zinc/25/22/56/1415252256.db2.gz DJACXMAUJBPZCE-NEPJUHHUSA-N 1 0 339.342 2.819 10 5 EFBERO C[C@H](c1ccccc1)[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001559664112 1415252623 /nfs/dbraw/zinc/25/26/23/1415252623.db2.gz WJPMIBTUAQHJNP-KDOFPFPSSA-N 1 0 330.384 2.684 10 5 EFBERO C[N@@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001559967877 1415259730 /nfs/dbraw/zinc/25/97/30/1415259730.db2.gz NNBKVMZNUQRYAG-KRWDZBQOSA-N 1 0 341.411 2.659 10 5 EFBERO C[C@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001560185407 1415267723 /nfs/dbraw/zinc/26/77/23/1415267723.db2.gz SRKBROMJYSTVEB-MOROJQBDSA-N 1 0 329.400 2.901 10 5 EFBERO CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234659 1415269876 /nfs/dbraw/zinc/26/98/76/1415269876.db2.gz LPEBLBNOVJHCAQ-CQSZACIVSA-N 1 0 346.435 2.622 10 5 EFBERO CC(C)(C)n1cncc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234658 1415269924 /nfs/dbraw/zinc/26/99/24/1415269924.db2.gz LPEBLBNOVJHCAQ-AWEZNQCLSA-N 1 0 346.435 2.622 10 5 EFBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001565715293 1415412510 /nfs/dbraw/zinc/41/25/10/1415412510.db2.gz BVXCFCWXXHJRIH-NSHDSACASA-N 1 0 343.786 2.992 10 5 EFBERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001565715292 1415412644 /nfs/dbraw/zinc/41/26/44/1415412644.db2.gz BVXCFCWXXHJRIH-LLVKDONJSA-N 1 0 343.786 2.992 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001566267130 1415537533 /nfs/dbraw/zinc/53/75/33/1415537533.db2.gz OYZYDIHIGRWXSE-ZBFHGGJFSA-N 1 0 331.416 2.600 10 5 EFBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC001566453096 1415554072 /nfs/dbraw/zinc/55/40/72/1415554072.db2.gz DIROAYHWIRUZOE-IAGOWNOFSA-N 1 0 347.459 2.587 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001566783429 1415774093 /nfs/dbraw/zinc/77/40/93/1415774093.db2.gz GAHJFNSRMMFXBQ-QZPSNLJVSA-N 1 0 335.429 2.749 10 5 EFBERO CC[N@H+](CCNC(=O)c1ccccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001567325395 1416072883 /nfs/dbraw/zinc/07/28/83/1416072883.db2.gz ZMJNRTFJDYOFBI-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001567459377 1416147566 /nfs/dbraw/zinc/14/75/66/1416147566.db2.gz IAUCNOCCPFEJEW-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001567526934 1416174353 /nfs/dbraw/zinc/17/43/53/1416174353.db2.gz SAMDNWGOWCELKZ-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO CCCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001567547681 1416182331 /nfs/dbraw/zinc/18/23/31/1416182331.db2.gz VNVHRLIVPJXZPP-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO COc1ccsc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567593396 1416201772 /nfs/dbraw/zinc/20/17/72/1416201772.db2.gz BPFULGJGRXFEBF-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO COCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001568102103 1416410923 /nfs/dbraw/zinc/41/09/23/1416410923.db2.gz ZXBMPPIRMAUAIN-WKILWMFISA-N 1 0 349.431 2.538 10 5 EFBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccc[nH]1 ZINC001568230880 1416449585 /nfs/dbraw/zinc/44/95/85/1416449585.db2.gz XOGZXCRQGUHSSM-UHFFFAOYSA-N 1 0 348.428 2.817 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001685527315 1416766387 /nfs/dbraw/zinc/76/63/87/1416766387.db2.gz HBYREHAROADYKU-KKUMJFAQSA-N 1 0 348.447 2.822 10 5 EFBERO Cc1cocc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699660174 1417442139 /nfs/dbraw/zinc/44/21/39/1417442139.db2.gz PBEKYTPBVXNZSC-UHFFFAOYSA-N 1 0 329.356 2.548 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC2(CC2)C1 ZINC001699662031 1417442758 /nfs/dbraw/zinc/44/27/58/1417442758.db2.gz CNCBHEGAARDRLR-UHFFFAOYSA-N 1 0 329.400 2.523 10 5 EFBERO CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001699974712 1417534809 /nfs/dbraw/zinc/53/48/09/1417534809.db2.gz ZWKVUFUJEHGPQZ-ZHCJQAHYSA-N 1 0 337.464 2.591 10 5 EFBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ns1 ZINC001712943076 1418288903 /nfs/dbraw/zinc/28/89/03/1418288903.db2.gz SBDZMBFQBAYWMP-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO C/C(=C/C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001713153274 1418341105 /nfs/dbraw/zinc/34/11/05/1418341105.db2.gz APYFESBUQCFZNI-VZTKWPLCSA-N 1 0 329.400 2.688 10 5 EFBERO CC(C)(F)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001715293486 1418660773 /nfs/dbraw/zinc/66/07/73/1418660773.db2.gz FCWRUCCLFWSAEI-UHFFFAOYSA-N 1 0 337.395 2.862 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001715832204 1418685471 /nfs/dbraw/zinc/68/54/71/1418685471.db2.gz CVXOXEXAYDRSMK-WAYWQWQTSA-N 1 0 342.399 2.616 10 5 EFBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001715833943 1418686273 /nfs/dbraw/zinc/68/62/73/1418686273.db2.gz LOAUNQZEHGOIAP-OWOJBTEDSA-N 1 0 343.427 2.937 10 5 EFBERO Cc1ccoc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001716268851 1418749365 /nfs/dbraw/zinc/74/93/65/1418749365.db2.gz NLBGBHOBLVWVAE-NSCUHMNNSA-N 1 0 329.356 2.572 10 5 EFBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001716540291 1418907554 /nfs/dbraw/zinc/90/75/54/1418907554.db2.gz FAOJUNLHRWFDDY-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO CCc1[nH]ccc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716680163 1418956728 /nfs/dbraw/zinc/95/67/28/1418956728.db2.gz NWNQQIYHEWUUCD-UHFFFAOYSA-N 1 0 342.399 2.538 10 5 EFBERO CC/C=C(\C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001717008451 1419145136 /nfs/dbraw/zinc/14/51/36/1419145136.db2.gz MFBJOSAERWOYSV-JYWGOBKKSA-N 1 0 343.427 2.841 10 5 EFBERO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)C(F)F)CC1 ZINC001717234829 1419278966 /nfs/dbraw/zinc/27/89/66/1419278966.db2.gz PWERHXOJJUSOBU-UHFFFAOYSA-N 1 0 347.387 2.782 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccs1 ZINC001722967629 1424389249 /nfs/dbraw/zinc/38/92/49/1424389249.db2.gz QWIHZPDGDVATQW-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccc1O ZINC001722978981 1424392111 /nfs/dbraw/zinc/39/21/11/1424392111.db2.gz RQBXXCKXMGABCQ-UHFFFAOYSA-N 1 0 349.412 2.614 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001722998833 1424397132 /nfs/dbraw/zinc/39/71/32/1424397132.db2.gz PGNDRTUVAFXNGS-UHFFFAOYSA-N 1 0 341.358 2.578 10 5 EFBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001723131770 1424431236 /nfs/dbraw/zinc/43/12/36/1424431236.db2.gz GTGDOPDNNJOMGN-UHFFFAOYSA-N 1 0 344.415 2.792 10 5 EFBERO Cc1c[nH]cc1C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001724799145 1425021342 /nfs/dbraw/zinc/02/13/42/1425021342.db2.gz DKRWUDYTCGNGRS-UHFFFAOYSA-N 1 0 348.428 2.735 10 5 EFBERO Cc1[nH]ccc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001724849136 1425068342 /nfs/dbraw/zinc/06/83/42/1425068342.db2.gz ZRDOSQRPZWIBHL-UHFFFAOYSA-N 1 0 344.415 2.825 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001725138552 1425328335 /nfs/dbraw/zinc/32/83/35/1425328335.db2.gz XKGMIVXNPAYRQZ-UHFFFAOYSA-N 1 0 339.411 2.917 10 5 EFBERO Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1 ZINC001725223052 1425390143 /nfs/dbraw/zinc/39/01/43/1425390143.db2.gz LWQRZXILUZHRLL-IAGOWNOFSA-N 1 0 345.443 2.569 10 5 EFBERO CC/C(C)=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001725353973 1425500929 /nfs/dbraw/zinc/50/09/29/1425500929.db2.gz DQZNRTDPMBCUDX-HRRGXOOESA-N 1 0 331.416 2.936 10 5 EFBERO C[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001731239416 1426347273 /nfs/dbraw/zinc/34/72/73/1426347273.db2.gz UCTOQZCEXAFAIG-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CCc1[nH]ccc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001731239286 1426347310 /nfs/dbraw/zinc/34/73/10/1426347310.db2.gz NTQVDQIWLCQJNQ-UHFFFAOYSA-N 1 0 344.415 2.737 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926014065 713468192 /nfs/dbraw/zinc/46/81/92/713468192.db2.gz YRTRMGDHNLJRHQ-OAHLLOKOSA-N 1 0 338.795 2.998 10 5 EFBERO Cc1cc(N2CC[C@H](CC[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000723708779 714821830 /nfs/dbraw/zinc/82/18/30/714821830.db2.gz IFOXYNDVFFXGBK-JTQLQIEISA-N 1 0 328.210 2.841 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000108087692 715402342 /nfs/dbraw/zinc/40/23/42/715402342.db2.gz JGHBQBONXLIWEQ-IZPAUZPXSA-N 1 0 347.415 2.925 10 5 EFBERO COC(=O)/C=C\c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000255503692 715467230 /nfs/dbraw/zinc/46/72/30/715467230.db2.gz NQOVPLYJNWPJKT-HYXAFXHYSA-N 1 0 325.324 2.870 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893450943 715541608 /nfs/dbraw/zinc/54/16/08/715541608.db2.gz PFXZXXWALLREFZ-XJKSGUPXSA-N 1 0 334.420 2.687 10 5 EFBERO CCC[N@@H+]1CC[C@@H](CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255833011 717785161 /nfs/dbraw/zinc/78/51/61/717785161.db2.gz YBJIUTRWFRVDBQ-PKYBCLHXSA-N 1 0 347.415 2.925 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COC1CC[NH+](C)CC1 ZINC000923788711 718381793 /nfs/dbraw/zinc/38/17/93/718381793.db2.gz MEHNRNXMTIJYMT-CYBMUJFWSA-N 1 0 336.388 2.618 10 5 EFBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000893026953 719489528 /nfs/dbraw/zinc/48/95/28/719489528.db2.gz SZGCIDOJZUICMX-GOEBONIOSA-N 1 0 333.432 2.859 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000893026954 719489732 /nfs/dbraw/zinc/48/97/32/719489732.db2.gz SZGCIDOJZUICMX-HOCLYGCPSA-N 1 0 333.432 2.859 10 5 EFBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000909614006 724600162 /nfs/dbraw/zinc/60/01/62/724600162.db2.gz NCSNHWJBUTXTHA-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581420 719668668 /nfs/dbraw/zinc/66/86/68/719668668.db2.gz FYVUBJYSJCFMPX-FBIMIBRVSA-N 1 0 326.194 2.531 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261796982 721346911 /nfs/dbraw/zinc/34/69/11/721346911.db2.gz QODPARMPMAOSCB-MRXNPFEDSA-N 1 0 332.791 2.790 10 5 EFBERO COC(=O)[C@H]1[C@H](C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894314695 722073207 /nfs/dbraw/zinc/07/32/07/722073207.db2.gz IREAATMMHDNIDR-UONOGXRCSA-N 1 0 342.342 2.561 10 5 EFBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928438774 722872139 /nfs/dbraw/zinc/87/21/39/722872139.db2.gz MPACFWRWIXDRHU-RISCZKNCSA-N 1 0 337.445 2.918 10 5 EFBERO O=[N+]([O-])c1ccc(NC(=S)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000727087880 723804470 /nfs/dbraw/zinc/80/44/70/723804470.db2.gz VQTUIEOGFJCLFC-UHFFFAOYSA-N 1 0 340.368 2.984 10 5 EFBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000897013981 723945194 /nfs/dbraw/zinc/94/51/94/723945194.db2.gz SRVKFVWVDHDUPU-SDNWHVSQSA-N 1 0 345.399 2.963 10 5 EFBERO Cc1sc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000895278268 723976524 /nfs/dbraw/zinc/97/65/24/723976524.db2.gz SARHDBARLGKMJR-LLVKDONJSA-N 1 0 346.412 2.711 10 5 EFBERO O=C(N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897266408 724154051 /nfs/dbraw/zinc/15/40/51/724154051.db2.gz ICNFMTFMYVVSLH-SFHVURJKSA-N 1 0 329.400 2.572 10 5 EFBERO COc1cc(CN2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000895670411 724252674 /nfs/dbraw/zinc/25/26/74/724252674.db2.gz HDZPKUVFKBDDQS-UHFFFAOYSA-N 1 0 349.431 2.672 10 5 EFBERO CC1(C)CO[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895802801 724324648 /nfs/dbraw/zinc/32/46/48/724324648.db2.gz QADWGOBGFZDAIR-INIZCTEOSA-N 1 0 348.447 2.753 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848562 724349387 /nfs/dbraw/zinc/34/93/87/724349387.db2.gz ZZGSQECGHDXDOL-IUODEOHRSA-N 1 0 336.388 2.613 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(C3(O)CCC3)CCC1)OCCO2 ZINC000895870654 724356661 /nfs/dbraw/zinc/35/66/61/724356661.db2.gz RHKCRNPOZQDLIG-UHFFFAOYSA-N 1 0 348.399 2.541 10 5 EFBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907193786 726890729 /nfs/dbraw/zinc/89/07/29/726890729.db2.gz WBAJKNGQLLXYGE-RYUDHWBXSA-N 1 0 339.823 2.732 10 5 EFBERO CN(CCC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907220956 726892362 /nfs/dbraw/zinc/89/23/62/726892362.db2.gz NJIWATWAKTWLRB-UHFFFAOYSA-N 1 0 327.812 2.591 10 5 EFBERO CC(C)(NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccccc1[N+](=O)[O-] ZINC000908360152 727169276 /nfs/dbraw/zinc/16/92/76/727169276.db2.gz OQGSFUVYKFUSBE-CZUORRHYSA-N 1 0 331.416 2.963 10 5 EFBERO CC[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910285332 727427642 /nfs/dbraw/zinc/42/76/42/727427642.db2.gz XNHGYPVEVSVLGJ-IKESIWSLSA-N 1 0 331.416 2.941 10 5 EFBERO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000912398707 727705758 /nfs/dbraw/zinc/70/57/58/727705758.db2.gz NCNNZSZXUIOTMP-NSHDSACASA-N 1 0 343.786 2.944 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912649915 727732168 /nfs/dbraw/zinc/73/21/68/727732168.db2.gz GAGSAAZWGGSOLN-OLZOCXBDSA-N 1 0 334.420 2.512 10 5 EFBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912649914 727732266 /nfs/dbraw/zinc/73/22/66/727732266.db2.gz GAGSAAZWGGSOLN-CHWSQXEVSA-N 1 0 334.420 2.512 10 5 EFBERO CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000912872059 727753375 /nfs/dbraw/zinc/75/33/75/727753375.db2.gz MRYGEOQWZGPNEO-UHFFFAOYSA-N 1 0 331.416 2.569 10 5 EFBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903884 727759607 /nfs/dbraw/zinc/75/96/07/727759607.db2.gz OZDQFZUUVAVZMQ-AWEZNQCLSA-N 1 0 325.368 2.668 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000913281828 727814772 /nfs/dbraw/zinc/81/47/72/727814772.db2.gz CPGGQJDFTRHAMG-OALUTQOASA-N 1 0 345.443 2.673 10 5 EFBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913282704 727815278 /nfs/dbraw/zinc/81/52/78/727815278.db2.gz INQPSGDMRQZWNA-IYBDPMFKSA-N 1 0 337.807 2.662 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385696 727830982 /nfs/dbraw/zinc/83/09/82/727830982.db2.gz HUMQXMXAAJRZQX-NSHDSACASA-N 1 0 343.786 2.876 10 5 EFBERO C[NH+](C)C1(C)CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000913398890 727832077 /nfs/dbraw/zinc/83/20/77/727832077.db2.gz RQXQKLYKCGCPMF-UHFFFAOYSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]1CCCCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000738226103 727923739 /nfs/dbraw/zinc/92/37/39/727923739.db2.gz KGISPPVZIIDANS-ZDUSSCGKSA-N 1 0 346.387 2.585 10 5 EFBERO Cc1cnc(CC[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)s1 ZINC000165186260 728018948 /nfs/dbraw/zinc/01/89/48/728018948.db2.gz DHDPDMXYWLHCPD-UHFFFAOYSA-N 1 0 331.401 2.841 10 5 EFBERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102573 728316467 /nfs/dbraw/zinc/31/64/67/728316467.db2.gz FIAMMOQHVPAUCW-BXKDBHETSA-N 1 0 326.784 2.982 10 5 EFBERO C[C@H]([NH3+])[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834945 728590159 /nfs/dbraw/zinc/59/01/59/728590159.db2.gz BWBPQSKJLVLYPN-UWVGGRQHSA-N 1 0 328.210 2.921 10 5 EFBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001570618668 1086411452 /nfs/dbraw/zinc/41/14/52/1086411452.db2.gz JPNDQPCEFFDJKC-HUUCEWRRSA-N 1 0 342.399 2.602 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001570619862 1086413397 /nfs/dbraw/zinc/41/33/97/1086413397.db2.gz VBXJNYLWPVRGTQ-CVEARBPZSA-N 1 0 345.443 2.861 10 5 EFBERO C[C@](CO)([NH2+]Cc1cccc2nsnc21)c1cccc([N+](=O)[O-])c1 ZINC001648017078 1089932321 /nfs/dbraw/zinc/93/23/21/1089932321.db2.gz HUHAYLAEUIRZSZ-MRXNPFEDSA-N 1 0 344.396 2.597 10 5 EFBERO Cc1ccccc1[C@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001648333355 1089986291 /nfs/dbraw/zinc/98/62/91/1089986291.db2.gz OZACKUMTBCAWPI-SFHVURJKSA-N 1 0 330.384 2.947 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@]2(CO)c2ccccc2)cc1 ZINC001648634705 1092242029 /nfs/dbraw/zinc/24/20/29/1092242029.db2.gz JIODEFFRSJFTGP-RBUKOAKNSA-N 1 0 342.395 2.612 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@]12CCOC2 ZINC001648641519 1092243260 /nfs/dbraw/zinc/24/32/60/1092243260.db2.gz BSQAFSQLQSZWKA-GOSISDBHSA-N 1 0 347.415 2.877 10 5 EFBERO CC[N@H+](CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001585183898 1092394280 /nfs/dbraw/zinc/39/42/80/1092394280.db2.gz XGRRTQREQBFKHV-UHFFFAOYSA-N 1 0 344.415 2.790 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001585891531 1092611929 /nfs/dbraw/zinc/61/19/29/1092611929.db2.gz NBBGXKJPCUJZAD-LSDHHAIUSA-N 1 0 349.456 2.919 10 5 EFBERO CC[C@@H]1[C@@H](C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001586524279 1092741857 /nfs/dbraw/zinc/74/18/57/1092741857.db2.gz IDNJUURQMQPLNG-GOEBONIOSA-N 1 0 348.447 2.552 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C1 ZINC001587016099 1092776453 /nfs/dbraw/zinc/77/64/53/1092776453.db2.gz JLRJKCDNXBISRB-CQSZACIVSA-N 1 0 349.431 2.797 10 5 EFBERO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC001650838352 1093498202 /nfs/dbraw/zinc/49/82/02/1093498202.db2.gz PCGLRBFGSWRUFS-UHFFFAOYSA-N 1 0 329.360 2.556 10 5 EFBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1CCC[N@H+]1CCCO ZINC001651087444 1093525635 /nfs/dbraw/zinc/52/56/35/1093525635.db2.gz JLKZOOFNTHFNAZ-GFCCVEGCSA-N 1 0 347.337 2.872 10 5 EFBERO CC(C)Oc1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001651111631 1093528608 /nfs/dbraw/zinc/52/86/08/1093528608.db2.gz QXVDFTQKWCYUHQ-HNNXBMFYSA-N 1 0 347.419 2.830 10 5 EFBERO CC(C)C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001651186894 1093536139 /nfs/dbraw/zinc/53/61/39/1093536139.db2.gz HKWAXEMZKBDPSP-HOCLYGCPSA-N 1 0 348.447 2.584 10 5 EFBERO CCC[N@H+](CCNC(=O)c1coc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001267312856 1093554455 /nfs/dbraw/zinc/55/44/55/1093554455.db2.gz QDOJMYDPXUOKMY-UHFFFAOYSA-N 1 0 346.387 2.533 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(F)c1 ZINC001267341318 1093622323 /nfs/dbraw/zinc/62/23/23/1093622323.db2.gz CMXDQZHPAMRLER-UHFFFAOYSA-N 1 0 331.347 2.596 10 5 EFBERO Cc1cscc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267361378 1094307018 /nfs/dbraw/zinc/30/70/18/1094307018.db2.gz YKKYDTNPDAKFLN-UHFFFAOYSA-N 1 0 333.413 2.827 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc2occc2[nH]1 ZINC001267379428 1094395921 /nfs/dbraw/zinc/39/59/21/1094395921.db2.gz FGUQWHNMRJYLCF-UHFFFAOYSA-N 1 0 348.384 2.592 10 5 EFBERO Cc1cccc(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001267421975 1094498349 /nfs/dbraw/zinc/49/83/49/1094498349.db2.gz XRHCBAMAWZWEHF-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO O=[N+]([O-])c1cccc(CN2CC[C@H]3COC[C@@H]3C2)c1Br ZINC000690777025 1094571506 /nfs/dbraw/zinc/57/15/06/1094571506.db2.gz SYBQYBFMJCJBKU-RYUDHWBXSA-N 1 0 341.205 2.826 10 5 EFBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC001167681317 1094595816 /nfs/dbraw/zinc/59/58/16/1094595816.db2.gz XJKOPUKYUKZFLT-UHFFFAOYSA-N 1 0 343.427 2.933 10 5 EFBERO Cc1ccccc1CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480945364 1094695056 /nfs/dbraw/zinc/69/50/56/1094695056.db2.gz RMUSPRGQWRLERL-UHFFFAOYSA-N 1 0 341.411 2.694 10 5 EFBERO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)o1 ZINC001625908020 1094949916 /nfs/dbraw/zinc/94/99/16/1094949916.db2.gz LEWYNOVMVCMUET-UHFFFAOYSA-N 1 0 329.356 2.714 10 5 EFBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2s1 ZINC001480974127 1095630597 /nfs/dbraw/zinc/63/05/97/1095630597.db2.gz FZTCJQYPRJQBAN-HUUCEWRRSA-N 1 0 347.440 2.505 10 5 EFBERO NC(=O)CCN(Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167729017 1095810298 /nfs/dbraw/zinc/81/02/98/1095810298.db2.gz XYFODCJLIRWHID-UHFFFAOYSA-N 1 0 331.347 2.612 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001268514242 1097111163 /nfs/dbraw/zinc/11/11/63/1097111163.db2.gz UNDVEUKBGGMMSZ-UPHRSURJSA-N 1 0 348.790 2.652 10 5 EFBERO CC(C)c1nocc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481238688 1098746023 /nfs/dbraw/zinc/74/60/23/1098746023.db2.gz DMZYMWZJQCDAFT-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1[N+](=O)[O-] ZINC001611091079 1098978636 /nfs/dbraw/zinc/97/86/36/1098978636.db2.gz BPTFVJROBDMNRP-LBPRGKRZSA-N 1 0 337.339 2.667 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001611178120 1098987778 /nfs/dbraw/zinc/98/77/78/1098987778.db2.gz PZOMVEYRQACGNI-LLVKDONJSA-N 1 0 343.786 2.990 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)cc1C ZINC001611831381 1099034583 /nfs/dbraw/zinc/03/45/83/1099034583.db2.gz WGEWCRHYPXSCIB-UHFFFAOYSA-N 1 0 347.415 2.612 10 5 EFBERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001611860553 1099035332 /nfs/dbraw/zinc/03/53/32/1099035332.db2.gz GPXBIHFRYCDHGX-NXEZZACHSA-N 1 0 349.357 2.879 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(Cl)c1 ZINC001481291594 1099053351 /nfs/dbraw/zinc/05/33/51/1099053351.db2.gz KQMDANYZFSEBPE-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO C[N@@H+]1C[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001612525278 1099061428 /nfs/dbraw/zinc/06/14/28/1099061428.db2.gz BFNZIDOIKTXDGH-KGLIPLIRSA-N 1 0 346.818 2.822 10 5 EFBERO CC(C)[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001612611737 1099070312 /nfs/dbraw/zinc/07/03/12/1099070312.db2.gz XVYPPLIHXYETNS-MRXNPFEDSA-N 1 0 343.431 2.675 10 5 EFBERO CC1(C)CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)OC1 ZINC001615164205 1099152020 /nfs/dbraw/zinc/15/20/20/1099152020.db2.gz JKUSVMPVAKMSIP-KRWDZBQOSA-N 1 0 333.432 2.922 10 5 EFBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCc1ccccc1 ZINC001481307487 1099201783 /nfs/dbraw/zinc/20/17/83/1099201783.db2.gz WEHVNEZZUKSPBK-UHFFFAOYSA-N 1 0 347.440 2.837 10 5 EFBERO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC001617104684 1099212607 /nfs/dbraw/zinc/21/26/07/1099212607.db2.gz WVCILNUGVYYSDN-GXTWGEPZSA-N 1 0 332.360 2.692 10 5 EFBERO C/C(=C/C(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785265154 1099235986 /nfs/dbraw/zinc/23/59/86/1099235986.db2.gz ZBQIOXHYPAYHHI-SQFISAMPSA-N 1 0 331.416 2.846 10 5 EFBERO Cc1cccc(F)c1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481323433 1099301013 /nfs/dbraw/zinc/30/10/13/1099301013.db2.gz MTZVPMKZVKNTFN-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC001618559699 1099305674 /nfs/dbraw/zinc/30/56/74/1099305674.db2.gz XLRJBIXRWJVXNS-DLBZAZTESA-N 1 0 339.395 2.604 10 5 EFBERO O=C(C[N@@H+]1CC[C@H](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001618677104 1099312012 /nfs/dbraw/zinc/31/20/12/1099312012.db2.gz NECOWUTVQAQXIH-INIZCTEOSA-N 1 0 343.427 2.996 10 5 EFBERO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001620583482 1099363561 /nfs/dbraw/zinc/36/35/61/1099363561.db2.gz MHLAQIOYBLVARL-KDOFPFPSSA-N 1 0 333.432 2.577 10 5 EFBERO Cc1ccc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001620661891 1099368968 /nfs/dbraw/zinc/36/89/68/1099368968.db2.gz QLOIUQLBCLMEIN-UHFFFAOYSA-N 1 0 347.459 2.716 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001620671384 1099369026 /nfs/dbraw/zinc/36/90/26/1099369026.db2.gz LPZNSNDQGHHXNR-INIZCTEOSA-N 1 0 347.415 2.923 10 5 EFBERO CC(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001270713377 1099479320 /nfs/dbraw/zinc/47/93/20/1099479320.db2.gz FZIQPRGDMCYLHM-UHFFFAOYSA-N 1 0 325.434 2.831 10 5 EFBERO CC(C)(F)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001267830483 1099499890 /nfs/dbraw/zinc/49/98/90/1099499890.db2.gz RMXRMYPAMORBIY-UHFFFAOYSA-N 1 0 337.395 2.862 10 5 EFBERO C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001624970033 1099756373 /nfs/dbraw/zinc/75/63/73/1099756373.db2.gz NKLSDJDEZQCGIO-LLVKDONJSA-N 1 0 337.807 2.557 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001625402142 1099805271 /nfs/dbraw/zinc/80/52/71/1099805271.db2.gz HBHDOHWLQGYSPT-SJCJKPOMSA-N 1 0 334.420 2.539 10 5 EFBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC001625652012 1099835512 /nfs/dbraw/zinc/83/55/12/1099835512.db2.gz RUBAKHSRVMZOJZ-PXAZEXFGSA-N 1 0 342.399 2.598 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001626939519 1099938508 /nfs/dbraw/zinc/93/85/08/1099938508.db2.gz NWTRUDLSLDSBEX-ZDUSSCGKSA-N 1 0 335.379 2.789 10 5 EFBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001626972383 1099941880 /nfs/dbraw/zinc/94/18/80/1099941880.db2.gz HTOYJLRFRYBNCV-GFCCVEGCSA-N 1 0 344.415 2.789 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000931022796 1100010441 /nfs/dbraw/zinc/01/04/41/1100010441.db2.gz SPHLLKYCKYKOJT-QWHCGFSZSA-N 1 0 341.205 2.750 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001627585952 1100012411 /nfs/dbraw/zinc/01/24/11/1100012411.db2.gz MQTGFXFCRNFDKS-LLVKDONJSA-N 1 0 341.358 2.610 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001627703509 1100024982 /nfs/dbraw/zinc/02/49/82/1100024982.db2.gz DBQXJWWPHBZWHO-UHFFFAOYSA-N 1 0 335.379 2.789 10 5 EFBERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001627988477 1100048396 /nfs/dbraw/zinc/04/83/96/1100048396.db2.gz ZIENAVMRRDHKJA-LBPRGKRZSA-N 1 0 344.415 2.790 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001628881583 1100145955 /nfs/dbraw/zinc/14/59/55/1100145955.db2.gz UQOWPCNOZQTCSR-CYBMUJFWSA-N 1 0 337.395 2.989 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001629525374 1100219582 /nfs/dbraw/zinc/21/95/82/1100219582.db2.gz DFWHLUIIFJNDCY-UHFFFAOYSA-N 1 0 335.323 2.654 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001630587927 1100320264 /nfs/dbraw/zinc/32/02/64/1100320264.db2.gz WOUUZILCDJCWQR-GJZGRUSLSA-N 1 0 349.456 2.676 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001630587926 1100320321 /nfs/dbraw/zinc/32/03/21/1100320321.db2.gz WOUUZILCDJCWQR-CABCVRRESA-N 1 0 349.456 2.676 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001630769986 1100336861 /nfs/dbraw/zinc/33/68/61/1100336861.db2.gz AEFDHGBAFCQZHW-KGLIPLIRSA-N 1 0 333.432 2.979 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC001631853162 1100433381 /nfs/dbraw/zinc/43/33/81/1100433381.db2.gz DKPNJVBFDJCKEJ-UHFFFAOYSA-N 1 0 346.431 2.683 10 5 EFBERO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)o1 ZINC001633260686 1100532060 /nfs/dbraw/zinc/53/20/60/1100532060.db2.gz JUGKZUGDLGATRK-UHFFFAOYSA-N 1 0 343.383 2.756 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001634614597 1100618973 /nfs/dbraw/zinc/61/89/73/1100618973.db2.gz WUOGABOHEQYLPT-CYBMUJFWSA-N 1 0 337.395 2.846 10 5 EFBERO CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC001636070039 1100699124 /nfs/dbraw/zinc/69/91/24/1100699124.db2.gz QLIZLPMNNOGECN-UHFFFAOYSA-N 1 0 339.823 2.733 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001636261261 1100709391 /nfs/dbraw/zinc/70/93/91/1100709391.db2.gz VPEDQNCOFKFLDG-CQSZACIVSA-N 1 0 349.431 2.701 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636948985 1100746702 /nfs/dbraw/zinc/74/67/02/1100746702.db2.gz ZHUMZEBABJYXQZ-ZDUSSCGKSA-N 1 0 341.839 2.883 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001637288160 1100770113 /nfs/dbraw/zinc/77/01/13/1100770113.db2.gz GVRNOAFPCCRFKI-LSDHHAIUSA-N 1 0 331.416 2.913 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC001637589536 1100792566 /nfs/dbraw/zinc/79/25/66/1100792566.db2.gz OGIHFBATKBZPFA-UHFFFAOYSA-N 1 0 346.431 2.561 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001638220834 1100842611 /nfs/dbraw/zinc/84/26/11/1100842611.db2.gz SUQBWWUBUSZNII-LBPRGKRZSA-N 1 0 325.384 2.893 10 5 EFBERO Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC001638848472 1100891097 /nfs/dbraw/zinc/89/10/97/1100891097.db2.gz PRCPULQTEQUBGM-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001639271932 1100932420 /nfs/dbraw/zinc/93/24/20/1100932420.db2.gz DVSBTLNMDUZWBN-CHWSQXEVSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001640387762 1101041274 /nfs/dbraw/zinc/04/12/74/1101041274.db2.gz VWEXXIBRJKQYQN-LBPRGKRZSA-N 1 0 337.395 2.893 10 5 EFBERO CCOc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC001640396537 1101042386 /nfs/dbraw/zinc/04/23/86/1101042386.db2.gz NOVKITSFLKKNBC-HIFRSBDPSA-N 1 0 337.445 2.985 10 5 EFBERO C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001640412036 1101045090 /nfs/dbraw/zinc/04/50/90/1101045090.db2.gz OYTCOPPHXWDOAL-LBPRGKRZSA-N 1 0 334.376 2.956 10 5 EFBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001640524727 1101055853 /nfs/dbraw/zinc/05/58/53/1101055853.db2.gz AZCNGQOARFGKII-LSDHHAIUSA-N 1 0 343.431 2.942 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001641250198 1101119045 /nfs/dbraw/zinc/11/90/45/1101119045.db2.gz DHWRMRRNOMAGJS-GFCCVEGCSA-N 1 0 349.406 2.989 10 5 EFBERO C[C@@H](CSCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001641307572 1101125617 /nfs/dbraw/zinc/12/56/17/1101125617.db2.gz QVHMKHASMIPTPI-CQSZACIVSA-N 1 0 340.445 2.675 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001641399846 1101133231 /nfs/dbraw/zinc/13/32/31/1101133231.db2.gz OHZJDNRQAORPIE-CQSZACIVSA-N 1 0 349.406 2.894 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001642045126 1101185237 /nfs/dbraw/zinc/18/52/37/1101185237.db2.gz LAAQMPIWJQHAGT-UHFFFAOYSA-N 1 0 328.372 2.533 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001642418161 1101211963 /nfs/dbraw/zinc/21/19/63/1101211963.db2.gz VCDFDGRZOQKLME-JKSUJKDBSA-N 1 0 331.416 2.814 10 5 EFBERO Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC001642431052 1101212801 /nfs/dbraw/zinc/21/28/01/1101212801.db2.gz VKAIMKGHOFGOTF-UHFFFAOYSA-N 1 0 328.372 2.799 10 5 EFBERO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC001642491276 1101215966 /nfs/dbraw/zinc/21/59/66/1101215966.db2.gz OXYAZYQCFOLQMP-MNOVXSKESA-N 1 0 342.237 2.882 10 5 EFBERO C[NH+](C)Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001642609646 1101228008 /nfs/dbraw/zinc/22/80/08/1101228008.db2.gz YGIDRBWRNZRKGL-UHFFFAOYSA-N 1 0 346.362 2.846 10 5 EFBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH2+]C3(CCCCC3)C1)CCCC2 ZINC001643214405 1101281861 /nfs/dbraw/zinc/28/18/61/1101281861.db2.gz WUJVREYJILDJCY-UHFFFAOYSA-N 1 0 330.432 2.981 10 5 EFBERO Nc1cc(CCCCNc2c3ccccc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001643237427 1101283500 /nfs/dbraw/zinc/28/35/00/1101283500.db2.gz JFBHGUZJWZEKBV-UHFFFAOYSA-N 1 0 337.383 2.977 10 5 EFBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3c4cc(Cl)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001651524799 1101342076 /nfs/dbraw/zinc/34/20/76/1101342076.db2.gz FMQRKYSLEZLEGZ-XEGUGMAKSA-N 1 0 346.818 2.970 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001651672150 1101365225 /nfs/dbraw/zinc/36/52/25/1101365225.db2.gz MRBCIRFCDGLSMZ-CQSZACIVSA-N 1 0 349.431 2.796 10 5 EFBERO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001651672217 1101365599 /nfs/dbraw/zinc/36/55/99/1101365599.db2.gz NUCXDTVOPIEBBY-LLVKDONJSA-N 1 0 325.796 2.662 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001652034871 1101422643 /nfs/dbraw/zinc/42/26/43/1101422643.db2.gz SFSKVOFMAMGEIN-LBPRGKRZSA-N 1 0 328.844 2.932 10 5 EFBERO CC[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001652132437 1101442001 /nfs/dbraw/zinc/44/20/01/1101442001.db2.gz WRZBRDFTENFLHI-WDEREUQCSA-N 1 0 345.359 2.628 10 5 EFBERO C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001652491604 1101499549 /nfs/dbraw/zinc/49/95/49/1101499549.db2.gz MGRPRXCGYYNOBE-NSHDSACASA-N 1 0 346.214 2.972 10 5 EFBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(CF)CCC1 ZINC001266622526 1101549547 /nfs/dbraw/zinc/54/95/47/1101549547.db2.gz HWHIOHAUHOZXIC-HAQNSBGRSA-N 1 0 341.408 2.533 10 5 EFBERO Cc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001266629820 1101568608 /nfs/dbraw/zinc/56/86/08/1101568608.db2.gz UBKJUYVMDZJYCY-UHFFFAOYSA-N 1 0 327.384 2.765 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000068222941 1101603534 /nfs/dbraw/zinc/60/35/34/1101603534.db2.gz LJOURHQKARIRND-ZDUSSCGKSA-N 1 0 339.461 2.779 10 5 EFBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC001653549952 1101630327 /nfs/dbraw/zinc/63/03/27/1101630327.db2.gz APMSXMRGMVPVBU-DOMZBBRYSA-N 1 0 337.420 2.615 10 5 EFBERO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001654951324 1101773913 /nfs/dbraw/zinc/77/39/13/1101773913.db2.gz SSTPZRASHFKZTJ-SFHVURJKSA-N 1 0 325.412 2.954 10 5 EFBERO CCC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001655455058 1101831145 /nfs/dbraw/zinc/83/11/45/1101831145.db2.gz DYQNDJPSKZENRX-ZDUSSCGKSA-N 1 0 335.404 2.976 10 5 EFBERO Cc1c(CN2CCc3nc(N(C)C)sc3C2)cccc1[N+](=O)[O-] ZINC001655483544 1101832756 /nfs/dbraw/zinc/83/27/56/1101832756.db2.gz XYEUNUYGWAWHER-UHFFFAOYSA-N 1 0 332.429 2.984 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nccnc1C ZINC001655518168 1101839558 /nfs/dbraw/zinc/83/95/58/1101839558.db2.gz NYSQMWUEWCHHHI-LBPRGKRZSA-N 1 0 343.387 2.681 10 5 EFBERO CCCC[N@H+](C)C[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001655530730 1101842820 /nfs/dbraw/zinc/84/28/20/1101842820.db2.gz BBURCMXIDUZYAS-CYBMUJFWSA-N 1 0 346.431 2.979 10 5 EFBERO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3nn(C)cc3[N+](=O)[O-])C2)s1 ZINC001655629928 1101863198 /nfs/dbraw/zinc/86/31/98/1101863198.db2.gz OPBRRPOQFWBYSY-CYBMUJFWSA-N 1 0 349.460 2.657 10 5 EFBERO C[NH+](C)[C@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C12CCC2 ZINC001655669443 1101868167 /nfs/dbraw/zinc/86/81/67/1101868167.db2.gz GRCKGOFXRHOBEH-HOTGVXAUSA-N 1 0 344.390 2.989 10 5 EFBERO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001655695401 1101872121 /nfs/dbraw/zinc/87/21/21/1101872121.db2.gz AVSCSLVGLPXFAB-CYBMUJFWSA-N 1 0 339.348 2.570 10 5 EFBERO COC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001655695463 1101872317 /nfs/dbraw/zinc/87/23/17/1101872317.db2.gz CVVXUEGNPXCNKZ-CYBMUJFWSA-N 1 0 334.376 2.539 10 5 EFBERO C[N@H+](CCCC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001655804846 1101892094 /nfs/dbraw/zinc/89/20/94/1101892094.db2.gz FAJJOVSQTBRGCF-OAHLLOKOSA-N 1 0 338.404 2.682 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H]2CCOC23CCCC3)o1 ZINC001655823962 1101897945 /nfs/dbraw/zinc/89/79/45/1101897945.db2.gz RALPLUGEPAISOU-CQSZACIVSA-N 1 0 344.371 2.836 10 5 EFBERO CN(CC(C)(C)C[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br ZINC001655930225 1101912581 /nfs/dbraw/zinc/91/25/81/1101912581.db2.gz VANGPJGXEREWDS-UHFFFAOYSA-N 1 0 345.241 2.776 10 5 EFBERO CC1(C)CC[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001655939994 1101914075 /nfs/dbraw/zinc/91/40/75/1101914075.db2.gz KLQPLHHOMGJHRZ-UHFFFAOYSA-N 1 0 343.225 2.896 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656122330 1101966653 /nfs/dbraw/zinc/96/66/53/1101966653.db2.gz JBWRTRUBMAPPNH-KLPPZKSPSA-N 1 0 345.321 2.532 10 5 EFBERO O=C(CC(F)(F)F)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656187830 1101992719 /nfs/dbraw/zinc/99/27/19/1101992719.db2.gz JBWRTRUBMAPPNH-UMSPYCQHSA-N 1 0 345.321 2.532 10 5 EFBERO O=C(CCC(F)F)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001656210772 1102002546 /nfs/dbraw/zinc/00/25/46/1102002546.db2.gz RMWHSMCISVVWGU-HOMQSWHASA-N 1 0 347.387 2.686 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001656524322 1102113655 /nfs/dbraw/zinc/11/36/55/1102113655.db2.gz VYZQVFUSTMDGJL-AWEZNQCLSA-N 1 0 333.388 2.533 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000588439885 1102521520 /nfs/dbraw/zinc/52/15/20/1102521520.db2.gz JNJOGASVLBVBER-JWZGAQTFSA-N 1 0 331.416 2.987 10 5 EFBERO CC(C)Oc1cc(C(=O)N2CCN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001648855224 1102521458 /nfs/dbraw/zinc/52/14/58/1102521458.db2.gz UZHTVWPPNLURPR-CYBMUJFWSA-N 1 0 347.415 2.691 10 5 EFBERO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001659455995 1102541759 /nfs/dbraw/zinc/54/17/59/1102541759.db2.gz HBWFPHMUQAADKG-ZIAGYGMSSA-N 1 0 331.416 2.994 10 5 EFBERO O=C(CC[NH2+]C1(CO)CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001659854493 1102572672 /nfs/dbraw/zinc/57/26/72/1102572672.db2.gz YZGZPMIEQNDHBN-UHFFFAOYSA-N 1 0 349.431 2.988 10 5 EFBERO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001660165737 1102621893 /nfs/dbraw/zinc/62/18/93/1102621893.db2.gz HZNWCRBNOMUMNJ-OAHLLOKOSA-N 1 0 333.432 2.922 10 5 EFBERO O=C(CC[N@@H+]1CCCC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC001660666993 1102920166 /nfs/dbraw/zinc/92/01/66/1102920166.db2.gz ASCOXAOTKHVQST-QGZVFWFLSA-N 1 0 333.388 2.568 10 5 EFBERO C[C@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000905314590 1103041481 /nfs/dbraw/zinc/04/14/81/1103041481.db2.gz GFJBJDKNURRWSX-JTQLQIEISA-N 1 0 334.351 2.811 10 5 EFBERO CC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661391363 1103251656 /nfs/dbraw/zinc/25/16/56/1103251656.db2.gz HVCKNKPARLSACG-HAQNSBGRSA-N 1 0 325.434 2.829 10 5 EFBERO O=C(/C=C\c1ccco1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661560988 1103321427 /nfs/dbraw/zinc/32/14/27/1103321427.db2.gz AVIZVYJZIHDLGK-ZMWOBVFASA-N 1 0 341.367 2.638 10 5 EFBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CCC1(O)CCC1 ZINC000905923376 1103738410 /nfs/dbraw/zinc/73/84/10/1103738410.db2.gz JEPFJMQBUKLFRC-QGZVFWFLSA-N 1 0 336.432 2.861 10 5 EFBERO C/C(=C/C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001483454027 1103740150 /nfs/dbraw/zinc/74/01/50/1103740150.db2.gz KEXAMZSJSWOKRH-WQLSENKSSA-N 1 0 337.445 2.951 10 5 EFBERO Cc1cc(F)cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001663284124 1104048138 /nfs/dbraw/zinc/04/81/38/1104048138.db2.gz JIRACOHDVOWUNO-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CCC[N@H+](CCNC(=O)C1CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001663658632 1104184441 /nfs/dbraw/zinc/18/44/41/1104184441.db2.gz ZVXQOGDYPAOKSB-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906412977 1104197800 /nfs/dbraw/zinc/19/78/00/1104197800.db2.gz XKOUWVOLKQWPGV-GFCCVEGCSA-N 1 0 337.807 2.534 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1occc1Cl ZINC001664169767 1104304827 /nfs/dbraw/zinc/30/48/27/1104304827.db2.gz OHCYZYCCTZMVGL-UHFFFAOYSA-N 1 0 337.763 2.703 10 5 EFBERO CC(C)[N@H+](CCCNC(=O)c1cnco1)Cc1cccc([N+](=O)[O-])c1 ZINC001664526938 1104432859 /nfs/dbraw/zinc/43/28/59/1104432859.db2.gz XZIVTEAYBWYEIM-UHFFFAOYSA-N 1 0 346.387 2.613 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC=CC1 ZINC001670850267 1104740611 /nfs/dbraw/zinc/74/06/11/1104740611.db2.gz DJYHRMVIAIEKJN-UHFFFAOYSA-N 1 0 329.400 2.690 10 5 EFBERO O=C(CCCF)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001666303136 1104921692 /nfs/dbraw/zinc/92/16/92/1104921692.db2.gz ZUEWAPZSRGOZQW-JOCQHMNTSA-N 1 0 343.424 2.923 10 5 EFBERO CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001666497447 1104951133 /nfs/dbraw/zinc/95/11/33/1104951133.db2.gz JSVSMWNBDJWIPJ-ADDHZHGLSA-N 1 0 349.475 2.713 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccco1 ZINC001482907764 1105155298 /nfs/dbraw/zinc/15/52/98/1105155298.db2.gz XNZSDHGKDSHUOF-MDZDMXLPSA-N 1 0 343.383 2.839 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C2CC2)CC1 ZINC001482933118 1105190923 /nfs/dbraw/zinc/19/09/23/1105190923.db2.gz ZHXHTNYJUGYFGR-UHFFFAOYSA-N 1 0 337.445 2.785 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(F)F ZINC001482949246 1105244950 /nfs/dbraw/zinc/24/49/50/1105244950.db2.gz XVDISHHETVHOIX-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001669034417 1105422018 /nfs/dbraw/zinc/42/20/18/1105422018.db2.gz VBLWGUIQELXXKI-ONEGZZNKSA-N 1 0 341.358 2.648 10 5 EFBERO CC(C)(C)/C=C/C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001482991451 1105493600 /nfs/dbraw/zinc/49/36/00/1105493600.db2.gz RHWKJTSNOSPKQJ-JWPKELMXSA-N 1 0 331.416 2.959 10 5 EFBERO Cc1ccc(CC(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001670067488 1105576147 /nfs/dbraw/zinc/57/61/47/1105576147.db2.gz WDHLDKIBJKDAFR-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001670133461 1105585446 /nfs/dbraw/zinc/58/54/46/1105585446.db2.gz BKFVBNDYCIZMEQ-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO Cc1c(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)cccc1[N+](=O)[O-] ZINC000085936247 1105723621 /nfs/dbraw/zinc/72/36/21/1105723621.db2.gz GXUYOTKJEICQHZ-UHFFFAOYSA-N 1 0 331.416 2.832 10 5 EFBERO O=C(CC1CCC1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001673156511 1105979099 /nfs/dbraw/zinc/97/90/99/1105979099.db2.gz ZOJYIUVGXLJPBO-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001676402007 1106525689 /nfs/dbraw/zinc/52/56/89/1106525689.db2.gz ISCVIGFDPYPJSX-CABCVRRESA-N 1 0 348.447 2.824 10 5 EFBERO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000092670702 1106909811 /nfs/dbraw/zinc/90/98/11/1106909811.db2.gz AZDRROVBZVAPFB-LLVKDONJSA-N 1 0 328.210 2.888 10 5 EFBERO O=[N+]([O-])c1ccc(CCc2nc([C@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000904072994 1107580472 /nfs/dbraw/zinc/58/04/72/1107580472.db2.gz GFHCJVHJAMISAD-NSHDSACASA-N 1 0 336.779 2.883 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC001483710830 1108132048 /nfs/dbraw/zinc/13/20/48/1108132048.db2.gz SIBWXSDANQKJMM-UHFFFAOYSA-N 1 0 343.358 2.786 10 5 EFBERO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001682859790 1108651325 /nfs/dbraw/zinc/65/13/25/1108651325.db2.gz OLUSCNIXBGWHSA-AWEZNQCLSA-N 1 0 336.436 2.823 10 5 EFBERO C[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000898833478 1109097432 /nfs/dbraw/zinc/09/74/32/1109097432.db2.gz TXXFQEYPQCLADF-XZJROXQQSA-N 1 0 349.406 2.826 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000843807549 1109448187 /nfs/dbraw/zinc/44/81/87/1109448187.db2.gz HNIGYBWGSJVQFM-YHWZYXNKSA-N 1 0 335.379 2.787 10 5 EFBERO Cc1cc(C)c(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001483745013 1111129624 /nfs/dbraw/zinc/12/96/24/1111129624.db2.gz UNBLUIHSVCJDDB-UHFFFAOYSA-N 1 0 342.399 2.592 10 5 EFBERO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547961 1111548199 /nfs/dbraw/zinc/54/81/99/1111548199.db2.gz SCXDKLLOVYXOIZ-BXKDBHETSA-N 1 0 329.194 2.872 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC2(CCC2)C1 ZINC001483759813 1112032212 /nfs/dbraw/zinc/03/22/12/1112032212.db2.gz CHYUWSCKMCAGPY-UHFFFAOYSA-N 1 0 343.427 2.914 10 5 EFBERO CC/C=C\CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483816056 1112485149 /nfs/dbraw/zinc/48/51/49/1112485149.db2.gz NAACJYYLTNUECO-GRFNRIFCSA-N 1 0 349.475 2.711 10 5 EFBERO CC1(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)CCC1 ZINC001484646252 1113087180 /nfs/dbraw/zinc/08/71/80/1113087180.db2.gz JDJWYZBRQBVPBM-UHFFFAOYSA-N 1 0 337.445 2.975 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000051951936 214109466 /nfs/dbraw/zinc/10/94/66/214109466.db2.gz SYFFBXLUKFKGBX-UHFFFAOYSA-N 1 0 347.415 2.522 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699023 529494315 /nfs/dbraw/zinc/49/43/15/529494315.db2.gz XYGVWBQBZAUJCF-IRXDYDNUSA-N 1 0 344.415 2.702 10 5 EFBERO CC[C@H]([NH2+]CCC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181530624 529594592 /nfs/dbraw/zinc/59/45/92/529594592.db2.gz TXUGQMJOEWIIHD-AWEZNQCLSA-N 1 0 332.360 2.961 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000177544849 231923362 /nfs/dbraw/zinc/92/33/62/231923362.db2.gz IEDAXHWOYAIHQW-NEPJUHHUSA-N 1 0 330.388 2.679 10 5 EFBERO Cc1sc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000067265145 215129118 /nfs/dbraw/zinc/12/91/18/215129118.db2.gz CBTFUXBEXIFKRD-UHFFFAOYSA-N 1 0 325.434 2.815 10 5 EFBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000068365320 215302775 /nfs/dbraw/zinc/30/27/75/215302775.db2.gz YWJUCOJADGQECI-BQYQJAHWSA-N 1 0 329.400 2.695 10 5 EFBERO CN(c1ncnc(Oc2ccccc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040659742 213365462 /nfs/dbraw/zinc/36/54/62/213365462.db2.gz ADHCXNKKGPYUKC-UHFFFAOYSA-N 1 0 343.387 2.708 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000183309999 235001843 /nfs/dbraw/zinc/00/18/43/235001843.db2.gz SZDCTWADRCUXIT-HNNXBMFYSA-N 1 0 333.432 2.887 10 5 EFBERO CCCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037620399 213161690 /nfs/dbraw/zinc/16/16/90/213161690.db2.gz KBZPZTZKNQSTAM-SNVBAGLBSA-N 1 0 330.182 2.813 10 5 EFBERO O=C([C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564680 296014513 /nfs/dbraw/zinc/01/45/13/296014513.db2.gz DJUBUSYGYQFYKA-ZGRWHYIRSA-N 1 0 343.427 2.942 10 5 EFBERO Cn1cc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000129842042 223097768 /nfs/dbraw/zinc/09/77/68/223097768.db2.gz JDJHJNBOBJCLSJ-WBVHZDCISA-N 1 0 328.416 2.872 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000191381913 239076789 /nfs/dbraw/zinc/07/67/89/239076789.db2.gz OXUAPEZLTCCTCT-AWEZNQCLSA-N 1 0 332.404 2.914 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238476 283795736 /nfs/dbraw/zinc/79/57/36/283795736.db2.gz XCRGTSSLEYVEMH-RDJZCZTQSA-N 1 0 331.416 2.518 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236731289 242337937 /nfs/dbraw/zinc/33/79/37/242337937.db2.gz TUJOSWOSMGGQLL-KRWDZBQOSA-N 1 0 342.399 2.851 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412152496 243171279 /nfs/dbraw/zinc/17/12/79/243171279.db2.gz ZWXQTUJADRIPJP-ZWKOTPCHSA-N 1 0 345.443 2.937 10 5 EFBERO Cn1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414565699 244235385 /nfs/dbraw/zinc/23/53/85/244235385.db2.gz FHIGVAPGJSELAY-BBRMVZONSA-N 1 0 344.415 2.636 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415504706 244426967 /nfs/dbraw/zinc/42/69/67/244426967.db2.gz PIBCWKSDHCNRHE-UHFFFAOYSA-N 1 0 342.399 2.939 10 5 EFBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1 ZINC000419302521 245370506 /nfs/dbraw/zinc/37/05/06/245370506.db2.gz PVTKCWFYOQSBJP-AWEZNQCLSA-N 1 0 336.342 2.777 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110992739 220089080 /nfs/dbraw/zinc/08/90/80/220089080.db2.gz OWWKRGXWBLBNDO-ZDUSSCGKSA-N 1 0 330.388 2.680 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000111399583 220151927 /nfs/dbraw/zinc/15/19/27/220151927.db2.gz AXKVHPKBSLMSPS-JTQLQIEISA-N 1 0 337.763 2.636 10 5 EFBERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421851591 246138781 /nfs/dbraw/zinc/13/87/81/246138781.db2.gz GBSQARUCXQMRFE-IHRRRGAJSA-N 1 0 349.431 2.936 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441198693 250007089 /nfs/dbraw/zinc/00/70/89/250007089.db2.gz NNGAXRSRHLKXIM-HUUCEWRRSA-N 1 0 347.415 2.590 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441274769 250013905 /nfs/dbraw/zinc/01/39/05/250013905.db2.gz GALQIEGYWUZACB-GJZGRUSLSA-N 1 0 347.415 2.590 10 5 EFBERO O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000441285895 250015624 /nfs/dbraw/zinc/01/56/24/250015624.db2.gz ZKVZUYTZNMMJMO-HUUCEWRRSA-N 1 0 347.415 2.672 10 5 EFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441281244 250015810 /nfs/dbraw/zinc/01/58/10/250015810.db2.gz TWLWQCYEFOSCGR-KFWWJZLASA-N 1 0 347.415 2.670 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670772 218157366 /nfs/dbraw/zinc/15/73/66/218157366.db2.gz ILLVOJXXUQLLEL-NSHDSACASA-N 1 0 343.225 2.673 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000441998429 250061802 /nfs/dbraw/zinc/06/18/02/250061802.db2.gz JLQAVHJJJXPGRB-UHFFFAOYSA-N 1 0 344.415 2.926 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092592776 218153083 /nfs/dbraw/zinc/15/30/83/218153083.db2.gz ORZHRVFQHPLQDB-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795243 250119472 /nfs/dbraw/zinc/11/94/72/250119472.db2.gz DUIVCIARQYRIBZ-KCXAZCMYSA-N 1 0 335.404 2.859 10 5 EFBERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644318 218239059 /nfs/dbraw/zinc/23/90/59/218239059.db2.gz CAZDXQAKJXRZKC-GXTWGEPZSA-N 1 0 337.420 2.527 10 5 EFBERO O=C(NCC[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445248429 250397680 /nfs/dbraw/zinc/39/76/80/250397680.db2.gz KTOMDEXOFFTMCW-UHFFFAOYSA-N 1 0 335.407 2.507 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000095398328 218330602 /nfs/dbraw/zinc/33/06/02/218330602.db2.gz YLHPMHCIHOKPAI-INIZCTEOSA-N 1 0 341.415 2.733 10 5 EFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000095398329 218330902 /nfs/dbraw/zinc/33/09/02/218330902.db2.gz YLHPMHCIHOKPAI-MRXNPFEDSA-N 1 0 341.415 2.733 10 5 EFBERO CC1CC[NH+](C[C@H](O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000095438776 218381960 /nfs/dbraw/zinc/38/19/60/218381960.db2.gz QTSMGOIULUJKOU-SFHVURJKSA-N 1 0 344.415 2.551 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449586541 251075267 /nfs/dbraw/zinc/07/52/67/251075267.db2.gz GBXLERYHKAFFTN-PBHICJAKSA-N 1 0 330.388 2.647 10 5 EFBERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679067 251114234 /nfs/dbraw/zinc/11/42/34/251114234.db2.gz QULGHDCWCNCCCC-XJKSGUPXSA-N 1 0 346.383 2.827 10 5 EFBERO C[NH+](C)CCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450371769 251363151 /nfs/dbraw/zinc/36/31/51/251363151.db2.gz KDLPMTKYSCQXKV-UHFFFAOYSA-N 1 0 328.416 2.991 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451339684 251532320 /nfs/dbraw/zinc/53/23/20/251532320.db2.gz ITQIPHMLMFSUQB-RCCFBDPRSA-N 1 0 334.416 2.989 10 5 EFBERO Cc1cccnc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314225 252032001 /nfs/dbraw/zinc/03/20/01/252032001.db2.gz SUYPJXYLJFSGTH-CVEARBPZSA-N 1 0 329.404 2.811 10 5 EFBERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565439 532984188 /nfs/dbraw/zinc/98/41/88/532984188.db2.gz LHCGMWZHAKWILW-YVEFUNNKSA-N 1 0 346.383 2.996 10 5 EFBERO COc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000132976733 533025495 /nfs/dbraw/zinc/02/54/95/533025495.db2.gz LRMHANGQYOENNE-DOTOQJQBSA-N 1 0 349.431 2.783 10 5 EFBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261575391 285109903 /nfs/dbraw/zinc/10/99/03/285109903.db2.gz BPLDNPPRFHWJNX-GXSJLCMTSA-N 1 0 326.194 2.546 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153762112 224154457 /nfs/dbraw/zinc/15/44/57/224154457.db2.gz XASMFQJQUPVBOA-KSSFIOAISA-N 1 0 343.427 2.992 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756456 221086875 /nfs/dbraw/zinc/08/68/75/221086875.db2.gz GMILBGGMRMHLGW-LBPRGKRZSA-N 1 0 339.823 2.781 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119212737 221267745 /nfs/dbraw/zinc/26/77/45/221267745.db2.gz PWOPUFVANDRFCS-HNNXBMFYSA-N 1 0 344.415 2.561 10 5 EFBERO Cc1nn2c([s+]1)N=C1SC(C)=NN1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017118439 257926441 /nfs/dbraw/zinc/92/64/41/257926441.db2.gz ZSUDRRGMQOOACL-UHFFFAOYSA-N 1 0 347.405 2.577 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000344844769 533384181 /nfs/dbraw/zinc/38/41/81/533384181.db2.gz CHUXRPCQKVQMEI-OOLWCCMQSA-N 1 0 329.400 2.597 10 5 EFBERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000178316218 533559446 /nfs/dbraw/zinc/55/94/46/533559446.db2.gz UBVLAEXZLIQQIH-HNNXBMFYSA-N 1 0 330.388 2.773 10 5 EFBERO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cn2)C[C@H](C)O1 ZINC000344440995 142017173 /nfs/dbraw/zinc/01/71/73/142017173.db2.gz PKSYFLYSNZKEFS-TXEJJXNPSA-N 1 0 329.360 2.742 10 5 EFBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347451062 142218858 /nfs/dbraw/zinc/21/88/58/142218858.db2.gz PUEWDOAOSKCGBA-CHWSQXEVSA-N 1 0 329.404 2.635 10 5 EFBERO CC(C)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000347618295 142245485 /nfs/dbraw/zinc/24/54/85/142245485.db2.gz VBPZUULXPGMBDL-KBPBESRZSA-N 1 0 338.433 2.591 10 5 EFBERO Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778173 142270686 /nfs/dbraw/zinc/27/06/86/142270686.db2.gz CMPKABQMBUYQBO-UHFFFAOYSA-N 1 0 340.383 2.685 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccsc1 ZINC000349316295 142320032 /nfs/dbraw/zinc/32/00/32/142320032.db2.gz WMVFENZSDYKOOJ-NHYWBVRUSA-N 1 0 349.412 2.697 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000338045920 143874702 /nfs/dbraw/zinc/87/47/02/143874702.db2.gz GEJPASBZKLCOHQ-UMVBOHGHSA-N 1 0 333.432 2.999 10 5 EFBERO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000342583583 145153512 /nfs/dbraw/zinc/15/35/12/145153512.db2.gz IAYYOYHNQUXJMS-UHFFFAOYSA-N 1 0 343.387 2.526 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000344058603 145358200 /nfs/dbraw/zinc/35/82/00/145358200.db2.gz LEERBJZRIJDMTP-ZDUSSCGKSA-N 1 0 333.388 2.830 10 5 EFBERO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344092519 145366280 /nfs/dbraw/zinc/36/62/80/145366280.db2.gz VTGNJYMQTXYUCC-CYBMUJFWSA-N 1 0 333.388 2.830 10 5 EFBERO CC[NH+](CC)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344272079 145409537 /nfs/dbraw/zinc/40/95/37/145409537.db2.gz IBSNNXMYBLVWBP-UHFFFAOYSA-N 1 0 337.395 2.928 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1cccnc1 ZINC000348210071 145898537 /nfs/dbraw/zinc/89/85/37/145898537.db2.gz BLFSXDRQMQZPCQ-WMLDXEAASA-N 1 0 329.400 2.677 10 5 EFBERO [NH3+]CCN(Cc1ccnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348923576 146024777 /nfs/dbraw/zinc/02/47/77/146024777.db2.gz TYRHRHFXBHNMGU-UHFFFAOYSA-N 1 0 337.383 2.746 10 5 EFBERO CCN(CCC[NH+]1CCCC1)c1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000350724840 146084024 /nfs/dbraw/zinc/08/40/24/146084024.db2.gz PDDFNSSYFKKWQH-UHFFFAOYSA-N 1 0 335.404 2.694 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351604033 146157037 /nfs/dbraw/zinc/15/70/37/146157037.db2.gz CPEGFOABDPUINP-UHFFFAOYSA-N 1 0 338.383 2.976 10 5 EFBERO CCOc1ccc(C(=O)N(CC)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000351792855 146204091 /nfs/dbraw/zinc/20/40/91/146204091.db2.gz ZACXJOANGOCFDV-UHFFFAOYSA-N 1 0 349.431 2.942 10 5 EFBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352127704 146296332 /nfs/dbraw/zinc/29/63/32/146296332.db2.gz RIRUQKVHBLYHSW-QGZVFWFLSA-N 1 0 333.432 2.908 10 5 EFBERO COC[C@@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352784237 146321051 /nfs/dbraw/zinc/32/10/51/146321051.db2.gz RYVKVPAWDXGYEY-AEFFLSMTSA-N 1 0 330.384 2.671 10 5 EFBERO Cc1cc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC000353083684 146393145 /nfs/dbraw/zinc/39/31/45/146393145.db2.gz GUWWSBMVLXJHJS-UHFFFAOYSA-N 1 0 327.287 2.825 10 5 EFBERO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000355606532 147011202 /nfs/dbraw/zinc/01/12/02/147011202.db2.gz LJOABALTMWBHJH-CYBMUJFWSA-N 1 0 336.388 2.769 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355780553 147060772 /nfs/dbraw/zinc/06/07/72/147060772.db2.gz ANHUHAJMJYKTFG-JHJVBQTASA-N 1 0 335.404 2.908 10 5 EFBERO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356282256 147199356 /nfs/dbraw/zinc/19/93/56/147199356.db2.gz PPGODZIZBPHTOG-GXTWGEPZSA-N 1 0 334.420 2.581 10 5 EFBERO Cc1n[nH]c(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000356785424 147335645 /nfs/dbraw/zinc/33/56/45/147335645.db2.gz NGQVXITYUAVZBO-SFHVURJKSA-N 1 0 337.383 2.943 10 5 EFBERO CC[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000356803548 147340245 /nfs/dbraw/zinc/34/02/45/147340245.db2.gz HSBRSSZBEHPLON-LLVKDONJSA-N 1 0 330.182 2.636 10 5 EFBERO Cc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000358298721 147764666 /nfs/dbraw/zinc/76/46/66/147764666.db2.gz MPLIUNCIQMDJOM-ZDUSSCGKSA-N 1 0 340.445 2.769 10 5 EFBERO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCOC)c([N+](=O)[O-])c1 ZINC000359479552 148097103 /nfs/dbraw/zinc/09/71/03/148097103.db2.gz GWXKQBHXJSXSHO-CQSZACIVSA-N 1 0 335.404 2.710 10 5 EFBERO C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000359555929 148120873 /nfs/dbraw/zinc/12/08/73/148120873.db2.gz LFMJNSMLRVYNEI-KUHUBIRLSA-N 1 0 343.427 2.996 10 5 EFBERO C[C@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000359555930 148121431 /nfs/dbraw/zinc/12/14/31/148121431.db2.gz LFMJNSMLRVYNEI-LIRRHRJNSA-N 1 0 343.427 2.996 10 5 EFBERO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359635968 148146559 /nfs/dbraw/zinc/14/65/59/148146559.db2.gz OQSQAIBBBBMHGW-STQMWFEESA-N 1 0 349.431 2.905 10 5 EFBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cs1 ZINC000359790723 148190404 /nfs/dbraw/zinc/19/04/04/148190404.db2.gz DCRIYYUZKRQUDM-LLVKDONJSA-N 1 0 342.367 2.875 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000359819920 148198354 /nfs/dbraw/zinc/19/83/54/148198354.db2.gz SLJGABDGLQMROU-ZDUSSCGKSA-N 1 0 336.338 2.814 10 5 EFBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000359819919 148198506 /nfs/dbraw/zinc/19/85/06/148198506.db2.gz SLJGABDGLQMROU-CYBMUJFWSA-N 1 0 336.338 2.814 10 5 EFBERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366127252 149560418 /nfs/dbraw/zinc/56/04/18/149560418.db2.gz PAZRNAQHVBFFJN-LSDHHAIUSA-N 1 0 346.431 2.716 10 5 EFBERO COc1ccc(NC(=O)[C@@H](C)N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368092090 150033691 /nfs/dbraw/zinc/03/36/91/150033691.db2.gz IWMMUFLBWBZNJZ-LALPHHSUSA-N 1 0 333.388 2.805 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)n2)c1 ZINC000368500506 150134389 /nfs/dbraw/zinc/13/43/89/150134389.db2.gz XHJNGJVXQKAGJU-QGZVFWFLSA-N 1 0 344.371 2.647 10 5 EFBERO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298223 151148752 /nfs/dbraw/zinc/14/87/52/151148752.db2.gz GQAXECCUUWJCGS-MRXNPFEDSA-N 1 0 348.378 2.609 10 5 EFBERO NC(=O)c1ccc(CN2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522306 151361985 /nfs/dbraw/zinc/36/19/85/151361985.db2.gz SHYHIZCNWGQOQO-GOSISDBHSA-N 1 0 343.358 2.764 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c(Cl)c1 ZINC000374680014 151394235 /nfs/dbraw/zinc/39/42/35/151394235.db2.gz PALHUSYWGAACBC-UHFFFAOYSA-N 1 0 332.787 2.868 10 5 EFBERO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000378134373 152016854 /nfs/dbraw/zinc/01/68/54/152016854.db2.gz BFIHCWZLZLFZHQ-UHFFFAOYSA-N 1 0 346.431 2.764 10 5 EFBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261804617 286518583 /nfs/dbraw/zinc/51/85/83/286518583.db2.gz RFGZCZOAARPOPZ-QGZVFWFLSA-N 1 0 345.374 2.889 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123746051 222326134 /nfs/dbraw/zinc/32/61/34/222326134.db2.gz IEOQQJKOBVAWKI-WDEREUQCSA-N 1 0 325.796 2.803 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000123406030 222272711 /nfs/dbraw/zinc/27/27/11/222272711.db2.gz LLUWTZKVZUUEOK-AWEZNQCLSA-N 1 0 337.420 2.528 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123490776 222285660 /nfs/dbraw/zinc/28/56/60/222285660.db2.gz CTXDEJQGMJVWLA-CYBMUJFWSA-N 1 0 342.399 2.747 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123967662 222359786 /nfs/dbraw/zinc/35/97/86/222359786.db2.gz ODIJUXGRFMDPIS-DGCLKSJQSA-N 1 0 339.823 2.732 10 5 EFBERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123967879 222359821 /nfs/dbraw/zinc/35/98/21/222359821.db2.gz ODIJUXGRFMDPIS-WCQYABFASA-N 1 0 339.823 2.732 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046949243 272979778 /nfs/dbraw/zinc/97/97/78/272979778.db2.gz NOEGSVMMAJHGOZ-MRXNPFEDSA-N 1 0 334.420 2.539 10 5 EFBERO CCC1(CC)CN(CCOc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185229399 265038924 /nfs/dbraw/zinc/03/89/24/265038924.db2.gz AOMBQTKHGZCZOD-HSZRJFAPSA-N 1 0 340.445 2.597 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000276546056 267009980 /nfs/dbraw/zinc/00/99/80/267009980.db2.gz GTYUEHWEUZPIHA-JTQLQIEISA-N 1 0 325.796 2.769 10 5 EFBERO C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000277274074 267144614 /nfs/dbraw/zinc/14/46/14/267144614.db2.gz MTMFGHPHPPRCRG-LBPRGKRZSA-N 1 0 330.388 2.632 10 5 EFBERO C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000277274068 267144654 /nfs/dbraw/zinc/14/46/54/267144654.db2.gz MTMFGHPHPPRCRG-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277592907 267207069 /nfs/dbraw/zinc/20/70/69/267207069.db2.gz WXZHHYIBYCMCDO-COPLHBTASA-N 1 0 332.360 2.720 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@H](C)C1 ZINC000277727514 267246867 /nfs/dbraw/zinc/24/68/67/267246867.db2.gz PWQFDYQVGSMZHV-DOMZBBRYSA-N 1 0 337.395 2.845 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@@H](C)C1 ZINC000277727536 267246888 /nfs/dbraw/zinc/24/68/88/267246888.db2.gz PWQFDYQVGSMZHV-WFASDCNBSA-N 1 0 337.395 2.845 10 5 EFBERO C[C@H]1C[N@H+](CCCNCc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044006 267328115 /nfs/dbraw/zinc/32/81/15/267328115.db2.gz XSBXOOZAWWOCPW-ZDUSSCGKSA-N 1 0 341.839 2.839 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247355633 273074505 /nfs/dbraw/zinc/07/45/05/273074505.db2.gz OGNYNRNUALONIR-SMDDNHRTSA-N 1 0 337.445 2.775 10 5 EFBERO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000271201114 273101959 /nfs/dbraw/zinc/10/19/59/273101959.db2.gz QMCILFOYYLPYQK-UHFFFAOYSA-N 1 0 346.387 2.715 10 5 EFBERO COC(=O)CC1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000280289551 273311912 /nfs/dbraw/zinc/31/19/12/273311912.db2.gz FBPSFBYLHLQCSA-UHFFFAOYSA-N 1 0 340.351 2.708 10 5 EFBERO CCC(=O)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000280649472 273350986 /nfs/dbraw/zinc/35/09/86/273350986.db2.gz FGMUUNLARUBKOH-UHFFFAOYSA-N 1 0 335.404 2.712 10 5 EFBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485476 273721307 /nfs/dbraw/zinc/72/13/07/273721307.db2.gz XMNWSHSFVRTPKC-JLJPHGGASA-N 1 0 334.416 2.813 10 5 EFBERO COC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000268841191 274000566 /nfs/dbraw/zinc/00/05/66/274000566.db2.gz OPJMSHJGPLBHFJ-CJNGLKHVSA-N 1 0 347.415 2.610 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286110057 274135665 /nfs/dbraw/zinc/13/56/65/274135665.db2.gz LMVFHTKYIRXEFD-MRXNPFEDSA-N 1 0 343.387 2.792 10 5 EFBERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791794 274385219 /nfs/dbraw/zinc/38/52/19/274385219.db2.gz ZVLZQLCXCWDRRO-MCIONIFRSA-N 1 0 331.416 2.850 10 5 EFBERO Cc1c(Br)c(N[C@H]2CCC[NH2+][C@H]2C)ncc1[N+](=O)[O-] ZINC000229608762 274658354 /nfs/dbraw/zinc/65/83/54/274658354.db2.gz GXWGACBPYPVAJU-IUCAKERBSA-N 1 0 329.198 2.613 10 5 EFBERO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000433761353 276040506 /nfs/dbraw/zinc/04/05/06/276040506.db2.gz AEGMFATYULJVBH-ZDUSSCGKSA-N 1 0 349.435 2.532 10 5 EFBERO CC[NH+](CC)C[C@H]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360112529 276109727 /nfs/dbraw/zinc/10/97/27/276109727.db2.gz NDXFDCCXWHGTTI-CYBMUJFWSA-N 1 0 335.404 2.550 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000446097740 276212336 /nfs/dbraw/zinc/21/23/36/276212336.db2.gz BDSHHVPYGJVDOJ-NSHDSACASA-N 1 0 325.796 2.628 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707210 276213892 /nfs/dbraw/zinc/21/38/92/276213892.db2.gz RJEQRHKYOCFJND-HUUCEWRRSA-N 1 0 348.447 2.504 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180199235 277137420 /nfs/dbraw/zinc/13/74/20/277137420.db2.gz VAHUFRZDWCEOSD-WBVHZDCISA-N 1 0 325.368 2.770 10 5 EFBERO CN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000424327791 277162880 /nfs/dbraw/zinc/16/28/80/277162880.db2.gz OUCOLDVPVCOJBL-BLLLJJGKSA-N 1 0 331.416 2.775 10 5 EFBERO C[NH2+]C[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])cc1Br ZINC000234382461 277285779 /nfs/dbraw/zinc/28/57/79/277285779.db2.gz CIVUFRUSJRPWQF-SNVBAGLBSA-N 1 0 328.210 2.854 10 5 EFBERO CC(C)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121178 278036667 /nfs/dbraw/zinc/03/66/67/278036667.db2.gz WXWDESOBLATHEU-CABCVRRESA-N 1 0 335.448 2.605 10 5 EFBERO COc1c[nH+]ccc1N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000338716563 278076655 /nfs/dbraw/zinc/07/66/55/278076655.db2.gz LLBHSOCJWOAQLC-UHFFFAOYSA-N 1 0 328.372 2.633 10 5 EFBERO CC(=O)NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180036595 278103127 /nfs/dbraw/zinc/10/31/27/278103127.db2.gz GNVZOIJATNWNJU-GOSISDBHSA-N 1 0 327.384 2.800 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120555386 279156094 /nfs/dbraw/zinc/15/60/94/279156094.db2.gz CUQMYYIWYDTKIE-CQSZACIVSA-N 1 0 348.447 2.999 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000175167317 279328494 /nfs/dbraw/zinc/32/84/94/279328494.db2.gz RURXFRIFLRSNKG-HNNXBMFYSA-N 1 0 348.447 2.654 10 5 EFBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415429918 280099329 /nfs/dbraw/zinc/09/93/29/280099329.db2.gz BNAGQJXMHWIDGU-XVKPBYJWSA-N 1 0 332.282 2.567 10 5 EFBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000193619799 280166393 /nfs/dbraw/zinc/16/63/93/280166393.db2.gz DRLHZNXUIVFJMS-UHFFFAOYSA-N 1 0 335.379 2.682 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107296582 281259877 /nfs/dbraw/zinc/25/98/77/281259877.db2.gz DWUJQSZXBXNESZ-MRXNPFEDSA-N 1 0 332.448 2.510 10 5 EFBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425275547 290281251 /nfs/dbraw/zinc/28/12/51/290281251.db2.gz ARHRQPGNIMVGQT-IINYFYTJSA-N 1 0 340.221 2.888 10 5 EFBERO Cc1c(CC(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000130581385 293171397 /nfs/dbraw/zinc/17/13/97/293171397.db2.gz ZVKXYIAYNZUJDA-UHFFFAOYSA-N 1 0 333.432 2.682 10 5 EFBERO CNC(=O)c1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153020691 293357261 /nfs/dbraw/zinc/35/72/61/293357261.db2.gz VSUYMYCQXUCGAL-UHFFFAOYSA-N 1 0 325.368 2.513 10 5 EFBERO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249593 293367626 /nfs/dbraw/zinc/36/76/26/293367626.db2.gz DUUCRHPDYRYFLE-KBPBESRZSA-N 1 0 331.416 2.742 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000153629644 293384861 /nfs/dbraw/zinc/38/48/61/293384861.db2.gz SWGPMQKTHTXRBH-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO Cc1cc(Cc2noc(CC3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000290217835 294029900 /nfs/dbraw/zinc/02/99/00/294029900.db2.gz ZGLKFEHOSGVJAX-UHFFFAOYSA-N 1 0 330.388 2.761 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291075285 294267320 /nfs/dbraw/zinc/26/73/20/294267320.db2.gz FXILPQRGVHTILW-MRXNPFEDSA-N 1 0 339.367 2.754 10 5 EFBERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670316 295024317 /nfs/dbraw/zinc/02/43/17/295024317.db2.gz JSQGCTBVSLTIFT-NSHDSACASA-N 1 0 338.408 2.742 10 5 EFBERO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000294667663 295204081 /nfs/dbraw/zinc/20/40/81/295204081.db2.gz AERRCIGQNUWLBG-UHFFFAOYSA-N 1 0 340.426 2.528 10 5 EFBERO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294700823 295211089 /nfs/dbraw/zinc/21/10/89/295211089.db2.gz IZGVYVQQFSZAQW-HSBZDZAISA-N 1 0 340.445 2.849 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294782653 295226281 /nfs/dbraw/zinc/22/62/81/295226281.db2.gz LEPIUKGCVNKVSE-GOEBONIOSA-N 1 0 339.395 2.684 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295058691 295263062 /nfs/dbraw/zinc/26/30/62/295263062.db2.gz BEWYBOBTBCJCSU-MRXNPFEDSA-N 1 0 339.367 2.756 10 5 EFBERO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CC2)C1 ZINC000295301362 295296617 /nfs/dbraw/zinc/29/66/17/295296617.db2.gz JLYSCOAMUFMEHN-LBPRGKRZSA-N 1 0 342.399 2.632 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295717903 295365474 /nfs/dbraw/zinc/36/54/74/295365474.db2.gz NVIHTVQKZJPWLU-UHFFFAOYSA-N 1 0 334.416 2.991 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295808025 295379493 /nfs/dbraw/zinc/37/94/93/295379493.db2.gz WPKLUMMFBQSNEX-UHFFFAOYSA-N 1 0 334.416 2.991 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261723121 304799544 /nfs/dbraw/zinc/79/95/44/304799544.db2.gz LHZOPGNNSVZFTJ-INIZCTEOSA-N 1 0 332.791 2.790 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000137890615 310670365 /nfs/dbraw/zinc/67/03/65/310670365.db2.gz CDVHJXHWYMBOCI-UHFFFAOYSA-N 1 0 334.420 2.514 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297432819 310894301 /nfs/dbraw/zinc/89/43/01/310894301.db2.gz TXSUOAWBGHDANY-ASHKBJFXSA-N 1 0 337.445 2.660 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000298740991 311019337 /nfs/dbraw/zinc/01/93/37/311019337.db2.gz JQHRIVYOBKQYSJ-XJKSGUPXSA-N 1 0 331.416 2.894 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299002392 311040886 /nfs/dbraw/zinc/04/08/86/311040886.db2.gz QFAFNFCTPSABJH-ZDUSSCGKSA-N 1 0 333.413 2.559 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299245064 311064997 /nfs/dbraw/zinc/06/49/97/311064997.db2.gz CHCHUPQBQKVZFY-GFCCVEGCSA-N 1 0 330.388 2.680 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000299569709 311098051 /nfs/dbraw/zinc/09/80/51/311098051.db2.gz CAYAAIMOPNPNIW-KRWDZBQOSA-N 1 0 327.384 2.936 10 5 EFBERO COC(=O)/C=C/c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301149179 311121486 /nfs/dbraw/zinc/12/14/86/311121486.db2.gz NRNLSMPVSOUGMC-GQCTYLIASA-N 1 0 333.388 2.535 10 5 EFBERO COC(=O)/C=C/c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301214389 311124941 /nfs/dbraw/zinc/12/49/41/311124941.db2.gz XGMAJHFZKSLSLE-IZPAUZPXSA-N 1 0 333.388 2.535 10 5 EFBERO Cn1cc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)cn1 ZINC000301307348 311130602 /nfs/dbraw/zinc/13/06/02/311130602.db2.gz ZUYODZRYPOYYFK-MRXNPFEDSA-N 1 0 340.387 2.591 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000301477702 311139509 /nfs/dbraw/zinc/13/95/09/311139509.db2.gz PRFFHKAOEKAXGL-NJZAAPMLSA-N 1 0 335.379 2.663 10 5 EFBERO COC(=O)c1cc(NCC[NH+]2CCC(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301565124 311144814 /nfs/dbraw/zinc/14/48/14/311144814.db2.gz LRNCHAQEXSCOSP-UHFFFAOYSA-N 1 0 335.404 2.834 10 5 EFBERO CC[C@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630851 311148690 /nfs/dbraw/zinc/14/86/90/311148690.db2.gz BKJWQXULLLFYJL-LBPRGKRZSA-N 1 0 348.403 2.602 10 5 EFBERO COC(=O)c1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695681 311152788 /nfs/dbraw/zinc/15/27/88/311152788.db2.gz POAKSIGDTWNURK-JSGCOSHPSA-N 1 0 335.404 2.975 10 5 EFBERO CC[NH+](CC)[C@H](C)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301880894 311164633 /nfs/dbraw/zinc/16/46/33/311164633.db2.gz KBCROADQLCVKNS-SECBINFHSA-N 1 0 331.214 2.895 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000302128598 311179207 /nfs/dbraw/zinc/17/92/07/311179207.db2.gz BIMDLRSIBJLVAE-OAHLLOKOSA-N 1 0 347.415 2.836 10 5 EFBERO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000302169597 311182141 /nfs/dbraw/zinc/18/21/41/311182141.db2.gz TYZSWDVBPSKOGP-BXUZGUMPSA-N 1 0 333.417 2.941 10 5 EFBERO Cc1cc(NCC(=O)NCc2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209778 311184854 /nfs/dbraw/zinc/18/48/54/311184854.db2.gz YCXQPVJTMGMLSJ-UHFFFAOYSA-N 1 0 340.339 2.773 10 5 EFBERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330611191 311324454 /nfs/dbraw/zinc/32/44/54/311324454.db2.gz POGZBSONULGQKG-AWEZNQCLSA-N 1 0 333.432 2.968 10 5 EFBERO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330832090 311337456 /nfs/dbraw/zinc/33/74/56/311337456.db2.gz HJAHQZLUAFKCFR-JKSUJKDBSA-N 1 0 349.431 2.652 10 5 EFBERO O=[N+]([O-])c1cccc(OCc2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351068096 311848375 /nfs/dbraw/zinc/84/83/75/311848375.db2.gz AEMLMFDODKNYNE-UHFFFAOYSA-N 1 0 337.295 2.872 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000414997148 312074102 /nfs/dbraw/zinc/07/41/02/312074102.db2.gz HFDHAIOEUBIACW-NOLJZWGESA-N 1 0 339.386 2.893 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCC[NH2+]C3)cs2)c1 ZINC000415070938 312087944 /nfs/dbraw/zinc/08/79/44/312087944.db2.gz RRLJTLYSRVNKMA-ZDUSSCGKSA-N 1 0 332.429 2.950 10 5 EFBERO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415690550 312165362 /nfs/dbraw/zinc/16/53/62/312165362.db2.gz FBPGPBLXRQUKPK-GFCCVEGCSA-N 1 0 334.420 2.966 10 5 EFBERO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415690551 312165379 /nfs/dbraw/zinc/16/53/79/312165379.db2.gz FBPGPBLXRQUKPK-LBPRGKRZSA-N 1 0 334.420 2.966 10 5 EFBERO CC(C)(C)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000415703712 312166234 /nfs/dbraw/zinc/16/62/34/312166234.db2.gz RGJDOTQZTHBHKZ-NSHDSACASA-N 1 0 344.362 2.996 10 5 EFBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415767279 312170609 /nfs/dbraw/zinc/17/06/09/312170609.db2.gz UDVOPJRXLVERNA-KRWDZBQOSA-N 1 0 332.404 2.765 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415985085 312190851 /nfs/dbraw/zinc/19/08/51/312190851.db2.gz AOOFACNRTJACFI-UHFFFAOYSA-N 1 0 340.383 2.904 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN1CCO)CCCC2 ZINC000417349426 312212742 /nfs/dbraw/zinc/21/27/42/312212742.db2.gz LDGCRFVXEYVCII-IEBWSBKVSA-N 1 0 347.459 2.799 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417856953 312283557 /nfs/dbraw/zinc/28/35/57/312283557.db2.gz TVYGFOZWVAIMBR-AEGPPILISA-N 1 0 332.404 2.500 10 5 EFBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423965308 312490528 /nfs/dbraw/zinc/49/05/28/312490528.db2.gz GAIGJOWEHHKYPP-DOMZBBRYSA-N 1 0 343.383 2.945 10 5 EFBERO C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424057029 312504770 /nfs/dbraw/zinc/50/47/70/312504770.db2.gz LPKGAGGVROAWDL-CYBMUJFWSA-N 1 0 348.447 2.688 10 5 EFBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485351206 313327002 /nfs/dbraw/zinc/32/70/02/313327002.db2.gz UOCWSFULCNJCDB-UHFFFAOYSA-N 1 0 345.443 2.932 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000497515959 315393024 /nfs/dbraw/zinc/39/30/24/315393024.db2.gz PZAKNGRVWNYNDK-OLZOCXBDSA-N 1 0 335.404 2.609 10 5 EFBERO Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000520409465 315954211 /nfs/dbraw/zinc/95/42/11/315954211.db2.gz KTOAQZZUEVQNHZ-QGZVFWFLSA-N 1 0 325.368 2.602 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000520588132 315968872 /nfs/dbraw/zinc/96/88/72/315968872.db2.gz HRNREEYRGCPIIE-QGZVFWFLSA-N 1 0 325.368 2.602 10 5 EFBERO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531630172 317293488 /nfs/dbraw/zinc/29/34/88/317293488.db2.gz QJHZOLZVQSQUMM-UHFFFAOYSA-N 1 0 340.383 2.880 10 5 EFBERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136972 317360338 /nfs/dbraw/zinc/36/03/38/317360338.db2.gz BWMGROANQYOIPP-HIFRSBDPSA-N 1 0 340.383 2.555 10 5 EFBERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532138758 317361192 /nfs/dbraw/zinc/36/11/92/317361192.db2.gz AQWZROIUPFVPRQ-UHFFFAOYSA-N 1 0 342.399 2.760 10 5 EFBERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532391905 317395110 /nfs/dbraw/zinc/39/51/10/317395110.db2.gz UVRUIUGLPPASSY-UHFFFAOYSA-N 1 0 346.431 2.908 10 5 EFBERO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397910 317395950 /nfs/dbraw/zinc/39/59/50/317395950.db2.gz VXUYBEBUHIOOHC-UHFFFAOYSA-N 1 0 342.399 2.762 10 5 EFBERO C[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547845207 318048240 /nfs/dbraw/zinc/04/82/40/318048240.db2.gz KNGILDTVZDAGBB-MRXNPFEDSA-N 1 0 340.427 2.991 10 5 EFBERO CS[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000548691775 318133047 /nfs/dbraw/zinc/13/30/47/318133047.db2.gz PMFUIMLTVVWWCL-ZIAGYGMSSA-N 1 0 336.461 2.623 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000555312787 318352821 /nfs/dbraw/zinc/35/28/21/318352821.db2.gz FKFYXAAJPTWLGX-AWEZNQCLSA-N 1 0 333.432 2.937 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000556974059 318422076 /nfs/dbraw/zinc/42/20/76/318422076.db2.gz JZIXJKJLPLXTAN-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000558716451 318489118 /nfs/dbraw/zinc/48/91/18/318489118.db2.gz MKQBGDRNKAYVJJ-CYBMUJFWSA-N 1 0 337.807 2.867 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000566103808 319032621 /nfs/dbraw/zinc/03/26/21/319032621.db2.gz MPAFHVXCAAMICY-UTUOFQBUSA-N 1 0 337.445 2.762 10 5 EFBERO C[N@@H+]1CCCC12CCN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000568385494 319278720 /nfs/dbraw/zinc/27/87/20/319278720.db2.gz IEPOQGPZPHOIDU-UHFFFAOYSA-N 1 0 330.432 2.933 10 5 EFBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000568636078 319303985 /nfs/dbraw/zinc/30/39/85/319303985.db2.gz YLFATZXILPVEDE-LOSYYMKXSA-N 1 0 336.432 2.746 10 5 EFBERO [NH3+]C[C@@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000568866201 319325546 /nfs/dbraw/zinc/32/55/46/319325546.db2.gz KABSBGHEZMCLDG-QGZVFWFLSA-N 1 0 327.384 2.532 10 5 EFBERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110488 319349336 /nfs/dbraw/zinc/34/93/36/319349336.db2.gz GQVJTLOPINNRDZ-WTANOLMUSA-N 1 0 342.395 2.858 10 5 EFBERO C[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956515 319529450 /nfs/dbraw/zinc/52/94/50/319529450.db2.gz SFZQWQDOEMUGJY-KBPBESRZSA-N 1 0 340.445 2.927 10 5 EFBERO CCc1cnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000572148915 319642257 /nfs/dbraw/zinc/64/22/57/319642257.db2.gz IUGHDHAVVAAJHY-UHFFFAOYSA-N 1 0 348.428 2.775 10 5 EFBERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578082869 320171975 /nfs/dbraw/zinc/17/19/75/320171975.db2.gz BOFSRGXQKUQYCB-INIZCTEOSA-N 1 0 331.416 2.819 10 5 EFBERO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199789 323358890 /nfs/dbraw/zinc/35/88/90/323358890.db2.gz IUUYYJKWGQFDOS-AVGNSLFASA-N 1 0 337.395 2.779 10 5 EFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013502 323379909 /nfs/dbraw/zinc/37/99/09/323379909.db2.gz BJWMLCLTFDAHFR-OLZOCXBDSA-N 1 0 339.411 2.930 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194943722 323517249 /nfs/dbraw/zinc/51/72/49/323517249.db2.gz HKBDUHGKBGPHPY-UHFFFAOYSA-N 1 0 334.420 2.516 10 5 EFBERO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000578981425 323855096 /nfs/dbraw/zinc/85/50/96/323855096.db2.gz COVYKBPCRPKCSZ-NSHDSACASA-N 1 0 336.310 2.513 10 5 EFBERO CC[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](CC)CC ZINC000579664917 324003223 /nfs/dbraw/zinc/00/32/23/324003223.db2.gz UAWCTJBOEFJBDZ-KRWDZBQOSA-N 1 0 346.431 2.855 10 5 EFBERO Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000580313560 324139141 /nfs/dbraw/zinc/13/91/41/324139141.db2.gz KKTYEIXPWHNREY-KRWDZBQOSA-N 1 0 325.368 2.602 10 5 EFBERO Cc1c(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000580448589 324167061 /nfs/dbraw/zinc/16/70/61/324167061.db2.gz OUSIMLXNOGDRMT-GOSISDBHSA-N 1 0 339.395 2.530 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH2+]C[C@@H]2C(F)F)o1 ZINC000580952662 324273960 /nfs/dbraw/zinc/27/39/60/324273960.db2.gz ONFKSQOGGMBIKJ-CQSZACIVSA-N 1 0 337.326 2.894 10 5 EFBERO COCC1(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581131473 324311597 /nfs/dbraw/zinc/31/15/97/324311597.db2.gz RHCJAOPYCZAXSZ-ZDUSSCGKSA-N 1 0 335.404 2.718 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000582677315 324647901 /nfs/dbraw/zinc/64/79/01/324647901.db2.gz QBAXAKCQHXTZDN-MRXNPFEDSA-N 1 0 331.416 2.640 10 5 EFBERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000161118393 473208574 /nfs/dbraw/zinc/20/85/74/473208574.db2.gz BEEHLDFAXVWCJU-NHYWBVRUSA-N 1 0 339.823 2.636 10 5 EFBERO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161837051 473269542 /nfs/dbraw/zinc/26/95/42/473269542.db2.gz QDEATMAETSZSDK-CQSZACIVSA-N 1 0 349.431 2.701 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184916158 473272907 /nfs/dbraw/zinc/27/29/07/473272907.db2.gz VPZMDUGNRHXDDZ-WYMLVPIESA-N 1 0 331.416 2.987 10 5 EFBERO Cc1ccnc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190446488 473278033 /nfs/dbraw/zinc/27/80/33/473278033.db2.gz RZTUJSGSUZOMDT-MRXNPFEDSA-N 1 0 341.415 2.652 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176976380 473279392 /nfs/dbraw/zinc/27/93/92/473279392.db2.gz YJCSAPSDFYSSGH-ZDUSSCGKSA-N 1 0 337.445 2.873 10 5 EFBERO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000148553137 473319357 /nfs/dbraw/zinc/31/93/57/473319357.db2.gz STOPUYSJJWXTGO-QWRGUYRKSA-N 1 0 325.434 2.815 10 5 EFBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162237682 473320385 /nfs/dbraw/zinc/32/03/85/473320385.db2.gz OIZZYBLSENKOLB-ONGXEEELSA-N 1 0 329.194 2.872 10 5 EFBERO COCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC[N@@H+]1C ZINC000150289218 473337259 /nfs/dbraw/zinc/33/72/59/473337259.db2.gz GBSDNXISILQDKD-HNNXBMFYSA-N 1 0 337.420 2.539 10 5 EFBERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)CN1 ZINC000125063832 473350298 /nfs/dbraw/zinc/35/02/98/473350298.db2.gz QUIDNZWDJJRDNF-ABAIWWIYSA-N 1 0 337.807 2.739 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185279569 473384431 /nfs/dbraw/zinc/38/44/31/473384431.db2.gz CPMRYXDGXUZTRU-SJLPKXTDSA-N 1 0 345.443 2.860 10 5 EFBERO CN1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000424195185 477324776 /nfs/dbraw/zinc/32/47/76/477324776.db2.gz XTSGBZMSALNESA-CYBMUJFWSA-N 1 0 343.383 2.813 10 5 EFBERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601600201 478901194 /nfs/dbraw/zinc/90/11/94/478901194.db2.gz CLHFXYBDHSVIEY-XJKSGUPXSA-N 1 0 331.416 2.568 10 5 EFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903630 479503765 /nfs/dbraw/zinc/50/37/65/479503765.db2.gz IJRABXIEWKQOMK-SJORKVTESA-N 1 0 331.416 2.564 10 5 EFBERO C[NH+](C)CCOc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000053993157 472048564 /nfs/dbraw/zinc/04/85/64/472048564.db2.gz GPELTNWFSDEQMP-UHFFFAOYSA-N 1 0 349.412 2.527 10 5 EFBERO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000041887942 472093938 /nfs/dbraw/zinc/09/39/38/472093938.db2.gz SQMJQPICMYKNNU-UHFFFAOYSA-N 1 0 347.371 2.965 10 5 EFBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718685 472188343 /nfs/dbraw/zinc/18/83/43/472188343.db2.gz BFKBLJBTCJFVLQ-IRXDYDNUSA-N 1 0 346.475 2.758 10 5 EFBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccc4ccncc4c3nc21 ZINC000027858325 472199122 /nfs/dbraw/zinc/19/91/22/472199122.db2.gz UCRPUMRIVOVBSH-UHFFFAOYSA-N 1 0 345.406 2.623 10 5 EFBERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076120798 472279038 /nfs/dbraw/zinc/27/90/38/472279038.db2.gz AZSBLVYDBJHZPL-RCBQFDQVSA-N 1 0 348.403 2.527 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076480409 472353298 /nfs/dbraw/zinc/35/32/98/472353298.db2.gz MLWSSFKLCKHDCB-HUUCEWRRSA-N 1 0 349.431 2.552 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000088721312 472380861 /nfs/dbraw/zinc/38/08/61/472380861.db2.gz YIDISKNDPULAPD-INIZCTEOSA-N 1 0 332.448 2.510 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128082370 472397834 /nfs/dbraw/zinc/39/78/34/472397834.db2.gz JHNYDAQNZGVFJJ-IXDOHACOSA-N 1 0 330.388 2.598 10 5 EFBERO C[C@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076776166 472401362 /nfs/dbraw/zinc/40/13/62/472401362.db2.gz KTRKNRARXRBVKC-ZDUSSCGKSA-N 1 0 346.431 2.773 10 5 EFBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000128250624 472424480 /nfs/dbraw/zinc/42/44/80/472424480.db2.gz WMNJDUWGQFAKSA-QGZVFWFLSA-N 1 0 345.399 2.617 10 5 EFBERO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccccc3F)CC2)nc1 ZINC000097137294 472458321 /nfs/dbraw/zinc/45/83/21/472458321.db2.gz FEBNNTVLLYRTBZ-UHFFFAOYSA-N 1 0 345.378 2.848 10 5 EFBERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000077455924 472530103 /nfs/dbraw/zinc/53/01/03/472530103.db2.gz YDYWHTBPGDWWFM-KRWDZBQOSA-N 1 0 338.404 2.643 10 5 EFBERO CNc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1[N+](=O)[O-] ZINC000071792513 472566026 /nfs/dbraw/zinc/56/60/26/472566026.db2.gz AVOIRPNXGBUMAS-UHFFFAOYSA-N 1 0 338.371 2.507 10 5 EFBERO CNc1ccc(C[NH2+]Cc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-] ZINC000071792512 472566340 /nfs/dbraw/zinc/56/63/40/472566340.db2.gz JEQAIMWTQDSTSQ-UHFFFAOYSA-N 1 0 338.371 2.507 10 5 EFBERO Cn1cc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000102423718 472577570 /nfs/dbraw/zinc/57/75/70/472577570.db2.gz GHZZTLDAKDTDJL-UHFFFAOYSA-N 1 0 326.356 2.921 10 5 EFBERO C[C@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119887459 472597486 /nfs/dbraw/zinc/59/74/86/472597486.db2.gz KFKSUOLLWJFWGR-LBPRGKRZSA-N 1 0 330.388 2.538 10 5 EFBERO Cc1ccc(C[C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550091 472633890 /nfs/dbraw/zinc/63/38/90/472633890.db2.gz HKQGUPFRSAPANI-OAHLLOKOSA-N 1 0 329.400 2.628 10 5 EFBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCC(C)CC1 ZINC000155985577 472651518 /nfs/dbraw/zinc/65/15/18/472651518.db2.gz MYSYTNSJLAQZAN-CYBMUJFWSA-N 1 0 344.415 2.926 10 5 EFBERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104413520 472671135 /nfs/dbraw/zinc/67/11/35/472671135.db2.gz PLDPQRZZTZLOAF-ZDUSSCGKSA-N 1 0 330.388 2.632 10 5 EFBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104976030 472708437 /nfs/dbraw/zinc/70/84/37/472708437.db2.gz NGIAEFKDDLCGPV-GFCCVEGCSA-N 1 0 338.795 2.950 10 5 EFBERO CN1CCC(CNc2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457514 472718048 /nfs/dbraw/zinc/71/80/48/472718048.db2.gz RRUZCAUGANEFMG-UHFFFAOYSA-N 1 0 332.448 2.957 10 5 EFBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132247053 472723402 /nfs/dbraw/zinc/72/34/02/472723402.db2.gz DWOJPCDDRGTOJT-AWEZNQCLSA-N 1 0 345.374 2.637 10 5 EFBERO CC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000156825291 472757783 /nfs/dbraw/zinc/75/77/83/472757783.db2.gz CMYDICDYWCKNEI-HUUCEWRRSA-N 1 0 337.445 2.599 10 5 EFBERO CC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000156825145 472757815 /nfs/dbraw/zinc/75/78/15/472757815.db2.gz CMYDICDYWCKNEI-CABCVRRESA-N 1 0 337.445 2.599 10 5 EFBERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120977570 472778267 /nfs/dbraw/zinc/77/82/67/472778267.db2.gz SWRSRRSHBUJKEI-OAHLLOKOSA-N 1 0 346.431 2.753 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133533743 472815353 /nfs/dbraw/zinc/81/53/53/472815353.db2.gz OJVWFEQSXABDOP-BILJCIPTSA-N 1 0 345.399 2.818 10 5 EFBERO Cc1cnc(CCN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000157753080 472853279 /nfs/dbraw/zinc/85/32/79/472853279.db2.gz MZOCRMFEEPXFCH-GFCCVEGCSA-N 1 0 348.428 2.861 10 5 EFBERO Cc1ccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079178 472854862 /nfs/dbraw/zinc/85/48/62/472854862.db2.gz GJKBFJZFILRQTP-HNNXBMFYSA-N 1 0 333.432 2.588 10 5 EFBERO Cc1cnc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000157803713 472860714 /nfs/dbraw/zinc/86/07/14/472860714.db2.gz NSZIVBZJBQKPAU-UHFFFAOYSA-N 1 0 349.412 2.901 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000107522726 472961616 /nfs/dbraw/zinc/96/16/16/472961616.db2.gz BVWWNMZGQCIHKR-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107530235 472962995 /nfs/dbraw/zinc/96/29/95/472962995.db2.gz TWHZYWSNZVVNGN-MRXNPFEDSA-N 1 0 331.416 2.994 10 5 EFBERO Cc1sc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074327330 472989686 /nfs/dbraw/zinc/98/96/86/472989686.db2.gz DPSGGQKTXIKNHO-ZDUSSCGKSA-N 1 0 337.445 2.769 10 5 EFBERO [NH3+]Cc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000159144939 473002034 /nfs/dbraw/zinc/00/20/34/473002034.db2.gz WGYJWRNQZFTEIX-UHFFFAOYSA-N 1 0 327.384 2.806 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000065967749 473034030 /nfs/dbraw/zinc/03/40/30/473034030.db2.gz CZGZXOMKEWZJET-JLDOPYBVSA-N 1 0 346.427 2.845 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000159760601 473058013 /nfs/dbraw/zinc/05/80/13/473058013.db2.gz KTJAKLHDJLSPOR-UHFFFAOYSA-N 1 0 331.372 2.794 10 5 EFBERO Cc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074767364 473059968 /nfs/dbraw/zinc/05/99/68/473059968.db2.gz MCYLDEFJMPVZBJ-UHFFFAOYSA-N 1 0 347.463 2.660 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000080635279 473060036 /nfs/dbraw/zinc/06/00/36/473060036.db2.gz PTEUKCVXLJKDTM-KRWDZBQOSA-N 1 0 332.448 2.510 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135433664 473071364 /nfs/dbraw/zinc/07/13/64/473071364.db2.gz CQXGILKRUFLAQW-CYBMUJFWSA-N 1 0 332.404 2.536 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122894199 473072099 /nfs/dbraw/zinc/07/20/99/473072099.db2.gz HSBXFNWFDPVRGM-GXTWGEPZSA-N 1 0 348.403 2.694 10 5 EFBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000123117585 473098816 /nfs/dbraw/zinc/09/88/16/473098816.db2.gz BKDXIBZXJWUYPL-RCBQFDQVSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755771 473117963 /nfs/dbraw/zinc/11/79/63/473117963.db2.gz RHWKAYTUDLTUOA-VQIMIIECSA-N 1 0 346.475 2.758 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755768 473118391 /nfs/dbraw/zinc/11/83/91/473118391.db2.gz RHWKAYTUDLTUOA-QFBILLFUSA-N 1 0 346.475 2.758 10 5 EFBERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093740098 473136139 /nfs/dbraw/zinc/13/61/39/473136139.db2.gz RZNDDJDQODFZQX-MRXNPFEDSA-N 1 0 335.448 2.607 10 5 EFBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123464092 473143294 /nfs/dbraw/zinc/14/32/94/473143294.db2.gz APKLWHRINAJVCI-ZWNOBZJWSA-N 1 0 325.796 2.803 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)nc2c1 ZINC000160719639 473165740 /nfs/dbraw/zinc/16/57/40/473165740.db2.gz AGBPJQPSEHASLP-PXAZEXFGSA-N 1 0 331.372 2.863 10 5 EFBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000052952378 473167695 /nfs/dbraw/zinc/16/76/95/473167695.db2.gz YJUDXBQNDSXYOU-UHFFFAOYSA-N 1 0 334.420 2.683 10 5 EFBERO CCOc1ccc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000081331032 473185868 /nfs/dbraw/zinc/18/58/68/473185868.db2.gz VAKZUCNRWDSORZ-AWEZNQCLSA-N 1 0 349.431 2.797 10 5 EFBERO CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177518208 473394060 /nfs/dbraw/zinc/39/40/60/473394060.db2.gz KRSQGTFPYFCFBJ-KBPBESRZSA-N 1 0 335.404 2.596 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000185323952 473395342 /nfs/dbraw/zinc/39/53/42/473395342.db2.gz XBKYHDYDZXVMTI-XDPMZMSMSA-N 1 0 331.416 2.846 10 5 EFBERO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000171551917 473409710 /nfs/dbraw/zinc/40/97/10/473409710.db2.gz NQAVILFEFJSWPZ-HNNXBMFYSA-N 1 0 345.378 2.625 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177702976 473419431 /nfs/dbraw/zinc/41/94/31/473419431.db2.gz YAGXEXPPTOCTBV-HNNXBMFYSA-N 1 0 345.403 2.561 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177706513 473421256 /nfs/dbraw/zinc/42/12/56/473421256.db2.gz HDKDAJQEZMVCJQ-MRXNPFEDSA-N 1 0 348.447 2.648 10 5 EFBERO C[NH+](C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151844450 473499442 /nfs/dbraw/zinc/49/94/42/473499442.db2.gz KRARMQPDRXEKPC-GOSISDBHSA-N 1 0 341.411 2.947 10 5 EFBERO C[NH+](C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151844373 473499456 /nfs/dbraw/zinc/49/94/56/473499456.db2.gz KRARMQPDRXEKPC-SFHVURJKSA-N 1 0 341.411 2.947 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000165667392 473514530 /nfs/dbraw/zinc/51/45/30/473514530.db2.gz UWVPYXGRHHQQHS-INIZCTEOSA-N 1 0 333.432 2.984 10 5 EFBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@@H]1[NH3+] ZINC000165836551 473516301 /nfs/dbraw/zinc/51/63/01/473516301.db2.gz CFIOBZVIQWTKFO-ZJUUUORDSA-N 1 0 343.225 2.624 10 5 EFBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000126535149 473524839 /nfs/dbraw/zinc/52/48/39/473524839.db2.gz LNLDFUQJUDDKAT-JTQLQIEISA-N 1 0 345.321 2.685 10 5 EFBERO C[NH+](C)CC1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178630572 473539440 /nfs/dbraw/zinc/53/94/40/473539440.db2.gz LSALBBNHFKNUOY-UHFFFAOYSA-N 1 0 334.420 2.514 10 5 EFBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152239411 473539461 /nfs/dbraw/zinc/53/94/61/473539461.db2.gz VESIURFVZCCBOB-SFHVURJKSA-N 1 0 343.383 2.912 10 5 EFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178725045 473549239 /nfs/dbraw/zinc/54/92/39/473549239.db2.gz ZUXLMQCYSSOPIP-MRXNPFEDSA-N 1 0 348.447 2.857 10 5 EFBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152430312 473561887 /nfs/dbraw/zinc/56/18/87/473561887.db2.gz SLURUKQCDUUTRI-AWEZNQCLSA-N 1 0 327.388 2.901 10 5 EFBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116298354 473646682 /nfs/dbraw/zinc/64/66/82/473646682.db2.gz OACJUTGXBPTWQA-GOEBONIOSA-N 1 0 332.356 2.765 10 5 EFBERO Cc1c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000154022745 473660783 /nfs/dbraw/zinc/66/07/83/473660783.db2.gz ZOJGFGKTQFOFTO-QGZVFWFLSA-N 1 0 342.395 2.701 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000192766096 473721975 /nfs/dbraw/zinc/72/19/75/473721975.db2.gz GFHSFFFAEQDJFH-WBVHZDCISA-N 1 0 340.383 2.551 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186671573 473722216 /nfs/dbraw/zinc/72/22/16/473722216.db2.gz KVUYRDLIMROORK-LBPRGKRZSA-N 1 0 337.445 2.873 10 5 EFBERO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000287720936 473743549 /nfs/dbraw/zinc/74/35/49/473743549.db2.gz FIJQLXBFAUAHJK-ZYHUDNBSSA-N 1 0 344.400 2.884 10 5 EFBERO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000193218104 473775769 /nfs/dbraw/zinc/77/57/69/473775769.db2.gz LBMSKIWVQALVTM-NSHDSACASA-N 1 0 331.397 2.896 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000246260724 473809260 /nfs/dbraw/zinc/80/92/60/473809260.db2.gz LCKQWLIFSAZZIF-HOTGVXAUSA-N 1 0 347.415 2.520 10 5 EFBERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369290 473817440 /nfs/dbraw/zinc/81/74/40/473817440.db2.gz GNJFJOQTHWPMBO-GXTWGEPZSA-N 1 0 329.404 2.975 10 5 EFBERO COc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000173398592 473825564 /nfs/dbraw/zinc/82/55/64/473825564.db2.gz VASDKMRWCTUQFA-HNNXBMFYSA-N 1 0 346.387 2.933 10 5 EFBERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444481 473840773 /nfs/dbraw/zinc/84/07/73/473840773.db2.gz RSTOWQFFSIGCJM-ZFWWWQNUSA-N 1 0 329.404 2.648 10 5 EFBERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444496 473841311 /nfs/dbraw/zinc/84/13/11/473841311.db2.gz RSTOWQFFSIGCJM-HIFRSBDPSA-N 1 0 329.404 2.648 10 5 EFBERO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000187262274 473847932 /nfs/dbraw/zinc/84/79/32/473847932.db2.gz HTLNIWMOERPJMV-HNNXBMFYSA-N 1 0 327.388 2.688 10 5 EFBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269687589 473861418 /nfs/dbraw/zinc/86/14/18/473861418.db2.gz PDJZVUDIFUKLGD-GFCCVEGCSA-N 1 0 345.321 2.780 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000246448267 473868103 /nfs/dbraw/zinc/86/81/03/473868103.db2.gz LKRFVFIWLPOCRH-KBPBESRZSA-N 1 0 344.415 2.543 10 5 EFBERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414956 473872455 /nfs/dbraw/zinc/87/24/55/473872455.db2.gz ORCUYEBEJQHFHU-WMLDXEAASA-N 1 0 330.384 2.994 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246512973 473888061 /nfs/dbraw/zinc/88/80/61/473888061.db2.gz GTZBFYKVRRLKSY-STQMWFEESA-N 1 0 337.807 2.947 10 5 EFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246557285 473901209 /nfs/dbraw/zinc/90/12/09/473901209.db2.gz WJNYBVKVXMYILK-ZYHUDNBSSA-N 1 0 325.796 2.707 10 5 EFBERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246582410 473907579 /nfs/dbraw/zinc/90/75/79/473907579.db2.gz CHVBFRKZOOYONL-QRTARXTBSA-N 1 0 346.431 2.782 10 5 EFBERO C[NH+](C)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263939865 473912383 /nfs/dbraw/zinc/91/23/83/473912383.db2.gz PPAGCAVUJOUYBW-LLVKDONJSA-N 1 0 326.784 2.806 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000288459980 473949391 /nfs/dbraw/zinc/94/93/91/473949391.db2.gz DTSBGIVNJUDVRW-GDBMZVCRSA-N 1 0 334.759 2.832 10 5 EFBERO CCOc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000187995890 473952903 /nfs/dbraw/zinc/95/29/03/473952903.db2.gz BLYSFLVQAASDAJ-UHFFFAOYSA-N 1 0 335.404 2.550 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188124823 473992734 /nfs/dbraw/zinc/99/27/34/473992734.db2.gz YGLYIYWQUWMXEM-YOEHRIQHSA-N 1 0 348.424 2.743 10 5 EFBERO Cc1sc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270219959 474032739 /nfs/dbraw/zinc/03/27/39/474032739.db2.gz MNTJXSLUIBRYOH-CYBMUJFWSA-N 1 0 337.445 2.769 10 5 EFBERO CC[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561107 474048612 /nfs/dbraw/zinc/04/86/12/474048612.db2.gz ICLIGAXIKDRREG-DOTOQJQBSA-N 1 0 334.372 2.806 10 5 EFBERO Cc1sc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174531057 474057716 /nfs/dbraw/zinc/05/77/16/474057716.db2.gz HMCRCVCSRNVUSO-CYBMUJFWSA-N 1 0 337.445 2.913 10 5 EFBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)nc2c1 ZINC000247115722 474068144 /nfs/dbraw/zinc/06/81/44/474068144.db2.gz AGBPJQPSEHASLP-SJCJKPOMSA-N 1 0 331.372 2.863 10 5 EFBERO Cc1c(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877645 474111483 /nfs/dbraw/zinc/11/14/83/474111483.db2.gz SHBQCOXNVCCDTE-SFHVURJKSA-N 1 0 346.475 2.505 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247300814 474112876 /nfs/dbraw/zinc/11/28/76/474112876.db2.gz LKKAYALMRMXFHP-GXFFZTMASA-N 1 0 325.796 2.707 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000175010852 474131573 /nfs/dbraw/zinc/13/15/73/474131573.db2.gz QOZBWMXXTSWWAN-HNNXBMFYSA-N 1 0 349.431 2.615 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000175042152 474136576 /nfs/dbraw/zinc/13/65/76/474136576.db2.gz MHEASXCMXGIACK-HUUCEWRRSA-N 1 0 347.415 2.692 10 5 EFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247441208 474147989 /nfs/dbraw/zinc/14/79/89/474147989.db2.gz RZWFGHKSOVXXJF-IINYFYTJSA-N 1 0 325.796 2.707 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247467229 474153807 /nfs/dbraw/zinc/15/38/07/474153807.db2.gz RIYRGDKRQRKRFH-NEPJUHHUSA-N 1 0 335.429 2.625 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188676055 474164050 /nfs/dbraw/zinc/16/40/50/474164050.db2.gz GFPARNJCNFYJSQ-UHFFFAOYSA-N 1 0 343.408 2.850 10 5 EFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017036 474164202 /nfs/dbraw/zinc/16/42/02/474164202.db2.gz XULFHWKFMQCHCR-BXUZGUMPSA-N 1 0 329.356 2.650 10 5 EFBERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248047684 474251451 /nfs/dbraw/zinc/25/14/51/474251451.db2.gz NFXFFHXFAODNOV-VQIMIIECSA-N 1 0 339.395 2.699 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000289429320 474266125 /nfs/dbraw/zinc/26/61/25/474266125.db2.gz RTANJHUCJATXRW-GBESFXJTSA-N 1 0 341.411 2.663 10 5 EFBERO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000235697683 474269552 /nfs/dbraw/zinc/26/95/52/474269552.db2.gz OOBZHQBJVQUKEN-VHSXEESVSA-N 1 0 328.210 2.839 10 5 EFBERO Cc1cc(N2CCC(C[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235825382 474270249 /nfs/dbraw/zinc/27/02/49/474270249.db2.gz YHOSGSLKXALUTI-UHFFFAOYSA-N 1 0 328.210 2.841 10 5 EFBERO CC[NH+](CC)[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182906072 474283828 /nfs/dbraw/zinc/28/38/28/474283828.db2.gz BXISEAIWVRADRF-ABDJAZHISA-N 1 0 331.416 2.941 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275842699 474336880 /nfs/dbraw/zinc/33/68/80/474336880.db2.gz HEJDSYBVCZHPFM-OLZOCXBDSA-N 1 0 337.807 2.913 10 5 EFBERO CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953889 474347746 /nfs/dbraw/zinc/34/77/46/474347746.db2.gz YNPYAAKUFJMRNH-GDBMZVCRSA-N 1 0 334.420 2.829 10 5 EFBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000183224080 474353554 /nfs/dbraw/zinc/35/35/54/474353554.db2.gz GGLNLFWYYGSWQF-BFVZDQMLSA-N 1 0 341.795 2.732 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248613303 474378195 /nfs/dbraw/zinc/37/81/95/474378195.db2.gz QYNJDVQUJGQRJV-FZTGFJCWSA-N 1 0 329.400 2.693 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623625 474382595 /nfs/dbraw/zinc/38/25/95/474382595.db2.gz MVIVXIBHTRUGFP-WFASDCNBSA-N 1 0 339.411 2.905 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623623 474383174 /nfs/dbraw/zinc/38/31/74/474383174.db2.gz MVIVXIBHTRUGFP-SWLSCSKDSA-N 1 0 339.411 2.905 10 5 EFBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271056826 474388881 /nfs/dbraw/zinc/38/88/81/474388881.db2.gz ARTWVUISULVJIQ-ZDUSSCGKSA-N 1 0 330.340 2.850 10 5 EFBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271056825 474388931 /nfs/dbraw/zinc/38/89/31/474388931.db2.gz ARTWVUISULVJIQ-CYBMUJFWSA-N 1 0 330.340 2.850 10 5 EFBERO Cc1sc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271068673 474394430 /nfs/dbraw/zinc/39/44/30/474394430.db2.gz XRJUUGCLDSERRG-SNVBAGLBSA-N 1 0 325.434 2.767 10 5 EFBERO COc1ccccc1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176225769 474415661 /nfs/dbraw/zinc/41/56/61/474415661.db2.gz AIPUXIBRQWKBDH-UHFFFAOYSA-N 1 0 344.415 2.755 10 5 EFBERO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Nc3ccccc3F)CC2)n1 ZINC000176263322 474425302 /nfs/dbraw/zinc/42/53/02/474425302.db2.gz RNIWCDJVORSREB-UHFFFAOYSA-N 1 0 333.367 2.507 10 5 EFBERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176317191 474438091 /nfs/dbraw/zinc/43/80/91/474438091.db2.gz KERKIAVSPRILCG-HZPDHXFCSA-N 1 0 334.420 2.829 10 5 EFBERO CCOCCN1CCN(c2cccc(OCC)c2[N+](=O)[O-])C[C@@H]1C ZINC000184110571 474473331 /nfs/dbraw/zinc/47/33/31/474473331.db2.gz OCNLEAXLJYPVCU-AWEZNQCLSA-N 1 0 337.420 2.541 10 5 EFBERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000266866088 474508073 /nfs/dbraw/zinc/50/80/73/474508073.db2.gz MEGSUHMVKZEMDM-OCCSQVGLSA-N 1 0 334.347 2.824 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737379 474522851 /nfs/dbraw/zinc/52/28/51/474522851.db2.gz OEQJPELUGQYTFJ-GDBMZVCRSA-N 1 0 344.415 2.620 10 5 EFBERO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266912365 474527678 /nfs/dbraw/zinc/52/76/78/474527678.db2.gz WTIHDGSERIPCEZ-LSDHHAIUSA-N 1 0 330.384 2.994 10 5 EFBERO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249112139 474529234 /nfs/dbraw/zinc/52/92/34/474529234.db2.gz BULLGCQQHRQPKM-DGCLKSJQSA-N 1 0 337.445 2.775 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249535569 474588078 /nfs/dbraw/zinc/58/80/78/474588078.db2.gz CJIGNDQIGZGFDS-ACJLOTCBSA-N 1 0 349.431 2.715 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000184703162 474589516 /nfs/dbraw/zinc/58/95/16/474589516.db2.gz ZSEXJELWLUHSCV-CVEARBPZSA-N 1 0 333.432 2.622 10 5 EFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000249627383 474600698 /nfs/dbraw/zinc/60/06/98/474600698.db2.gz QISSFRRUYKOQCL-GJZGRUSLSA-N 1 0 347.415 2.611 10 5 EFBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000184763964 474602518 /nfs/dbraw/zinc/60/25/18/474602518.db2.gz RAMCVHHZOMEUCF-HZPDHXFCSA-N 1 0 333.432 2.764 10 5 EFBERO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000291630881 474636001 /nfs/dbraw/zinc/63/60/01/474636001.db2.gz BMHDRXFCQHNHCS-GFCCVEGCSA-N 1 0 329.404 2.782 10 5 EFBERO CO[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C ZINC000251929397 474651691 /nfs/dbraw/zinc/65/16/91/474651691.db2.gz SZRDHILWFDKRQY-SMDDNHRTSA-N 1 0 332.360 2.502 10 5 EFBERO COc1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000252477369 474662940 /nfs/dbraw/zinc/66/29/40/474662940.db2.gz MQMACDRHCXUVHG-NUEKZKHPSA-N 1 0 349.431 2.905 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278565216 474706356 /nfs/dbraw/zinc/70/63/56/474706356.db2.gz QWDWRGXDAPJPBI-WYMLVPIESA-N 1 0 343.427 2.989 10 5 EFBERO O=[N+]([O-])c1cnccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000340841738 474708507 /nfs/dbraw/zinc/70/85/07/474708507.db2.gz AHKSEGAWIXBENO-UHFFFAOYSA-N 1 0 344.337 2.629 10 5 EFBERO O=[N+]([O-])c1cc(F)cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000305299950 474728627 /nfs/dbraw/zinc/72/86/27/474728627.db2.gz JBJQJTCKRVJRGS-QGZVFWFLSA-N 1 0 346.358 2.532 10 5 EFBERO O=[N+]([O-])c1cc(F)cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000305299949 474728655 /nfs/dbraw/zinc/72/86/55/474728655.db2.gz JBJQJTCKRVJRGS-KRWDZBQOSA-N 1 0 346.358 2.532 10 5 EFBERO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)cn1 ZINC000344422649 474742228 /nfs/dbraw/zinc/74/22/28/474742228.db2.gz QTYAFJXTAMEUGK-JTQLQIEISA-N 1 0 346.416 2.534 10 5 EFBERO C[N@@H+]1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1(C)C ZINC000291920342 474751962 /nfs/dbraw/zinc/75/19/62/474751962.db2.gz LPBMGJFOMOPJPV-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)cc1 ZINC000338956936 474777455 /nfs/dbraw/zinc/77/74/55/474777455.db2.gz XFQAOQHQIBOLOU-UHFFFAOYSA-N 1 0 337.383 2.850 10 5 EFBERO COc1cc(CN2CCc3ccccc3[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305856372 474799731 /nfs/dbraw/zinc/79/97/31/474799731.db2.gz WOPJRQZUUVUEPY-KRWDZBQOSA-N 1 0 328.368 2.695 10 5 EFBERO CC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255234076 474825134 /nfs/dbraw/zinc/82/51/34/474825134.db2.gz XAUFESRYYZCGFX-QLBOMPFWSA-N 1 0 333.432 2.651 10 5 EFBERO Cc1c(Br)c(N[C@H](C)CCCC[NH3+])ncc1[N+](=O)[O-] ZINC000311475572 474839016 /nfs/dbraw/zinc/83/90/16/474839016.db2.gz PTAXPIUVFAFWDU-MRVPVSSYSA-N 1 0 331.214 2.990 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000273440843 474898585 /nfs/dbraw/zinc/89/85/85/474898585.db2.gz RCLJSCHLOGPEPR-JIIJFUIFSA-N 1 0 349.456 2.552 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000278895055 474899968 /nfs/dbraw/zinc/89/99/68/474899968.db2.gz ZTQZRCAXWSJKFR-NSHDSACASA-N 1 0 337.807 2.937 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000273451404 474903369 /nfs/dbraw/zinc/90/33/69/474903369.db2.gz CGYMSKIEMXBSRM-WYMLVPIESA-N 1 0 331.416 2.846 10 5 EFBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000285170723 474915249 /nfs/dbraw/zinc/91/52/49/474915249.db2.gz UWXZGLUNFBBXDP-KGLIPLIRSA-N 1 0 345.321 2.523 10 5 EFBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322305452 474938468 /nfs/dbraw/zinc/93/84/68/474938468.db2.gz AMJMNORBDPEHJW-ABAIWWIYSA-N 1 0 337.807 2.852 10 5 EFBERO CCOc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341071895 474942986 /nfs/dbraw/zinc/94/29/86/474942986.db2.gz SDNVSSGLGYBGQJ-ZIAGYGMSSA-N 1 0 349.431 2.986 10 5 EFBERO CNc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000327063365 475016906 /nfs/dbraw/zinc/01/69/06/475016906.db2.gz PEXXPUPXJVEBTK-UHFFFAOYSA-N 1 0 346.431 2.585 10 5 EFBERO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000609287607 480138791 /nfs/dbraw/zinc/13/87/91/480138791.db2.gz CKTPGKWANWKSOG-UHFFFAOYSA-N 1 0 349.431 2.730 10 5 EFBERO O=[N+]([O-])c1ccc(CN2CCCN(c3ccccn3)CC2)cc1F ZINC000328586452 475032305 /nfs/dbraw/zinc/03/23/05/475032305.db2.gz ZDEZZYLYTAIGHA-UHFFFAOYSA-N 1 0 330.363 2.841 10 5 EFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000261825876 475075875 /nfs/dbraw/zinc/07/58/75/475075875.db2.gz KQKKPMUYIHOTCB-NWSOVMFYSA-N 1 0 337.807 2.884 10 5 EFBERO C[NH+](C)CCN1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296191705 475220759 /nfs/dbraw/zinc/22/07/59/475220759.db2.gz BPFPQEBWJBUDNR-UHFFFAOYSA-N 1 0 343.431 2.581 10 5 EFBERO CNc1c(C(=O)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000361181231 475249954 /nfs/dbraw/zinc/24/99/54/475249954.db2.gz YQXYLSCNYKXVLJ-UHFFFAOYSA-N 1 0 334.420 2.631 10 5 EFBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cccc21 ZINC000345575092 475276938 /nfs/dbraw/zinc/27/69/38/475276938.db2.gz PKQAWDFKXOMGGJ-CQSZACIVSA-N 1 0 330.344 2.560 10 5 EFBERO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357954881 475289856 /nfs/dbraw/zinc/28/98/56/475289856.db2.gz HYBUPJGHCLQDRA-YPMHNXCESA-N 1 0 343.387 2.544 10 5 EFBERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296507698 475348351 /nfs/dbraw/zinc/34/83/51/475348351.db2.gz YJYDXHOXDNNPRP-KBPBESRZSA-N 1 0 334.420 2.829 10 5 EFBERO COc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545649 475399199 /nfs/dbraw/zinc/39/91/99/475399199.db2.gz KXNTUDWWCKJAJH-MRXNPFEDSA-N 1 0 333.432 2.911 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000352546389 475401274 /nfs/dbraw/zinc/40/12/74/475401274.db2.gz ULBISUOEZANTPT-ZDUSSCGKSA-N 1 0 336.388 2.767 10 5 EFBERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172138 475457934 /nfs/dbraw/zinc/45/79/34/475457934.db2.gz IEUCMCVHFWYPAA-ANRZDRKOSA-N 1 0 343.427 2.515 10 5 EFBERO COc1cc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000361468580 475472169 /nfs/dbraw/zinc/47/21/69/475472169.db2.gz HKGJORSHGJSVFN-MRXNPFEDSA-N 1 0 343.383 2.652 10 5 EFBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249294 475523344 /nfs/dbraw/zinc/52/33/44/475523344.db2.gz WJNDHSSIFDROMD-OSMZGAPFSA-N 1 0 348.321 2.607 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCCC[C@H]3CCO)n2)c1 ZINC000342067281 475543627 /nfs/dbraw/zinc/54/36/27/475543627.db2.gz RTSBDMGIJXCWJS-AWEZNQCLSA-N 1 0 346.387 2.772 10 5 EFBERO CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358299460 475570853 /nfs/dbraw/zinc/57/08/53/475570853.db2.gz NAMSYULFUIFELL-MRXNPFEDSA-N 1 0 340.445 2.850 10 5 EFBERO COc1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000361592037 475578183 /nfs/dbraw/zinc/57/81/83/475578183.db2.gz UYKCFROQNCSBIE-LJQANCHMSA-N 1 0 342.395 2.739 10 5 EFBERO COc1ccc2nc(CN[C@H](C)c3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000355003748 475590471 /nfs/dbraw/zinc/59/04/71/475590471.db2.gz CTVNNXVHYBSCIR-SNVBAGLBSA-N 1 0 327.344 2.726 10 5 EFBERO COc1ccc2nc(CN[C@@H](C)c3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000355003747 475591243 /nfs/dbraw/zinc/59/12/43/475591243.db2.gz CTVNNXVHYBSCIR-JTQLQIEISA-N 1 0 327.344 2.726 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCNc2cnccn2)c2ccccc2)c1 ZINC000352788513 475625334 /nfs/dbraw/zinc/62/53/34/475625334.db2.gz KMUDVVIBLUWRRY-LJQANCHMSA-N 1 0 349.394 2.598 10 5 EFBERO CCN(CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)CC(F)(F)F ZINC000355063718 475639911 /nfs/dbraw/zinc/63/99/11/475639911.db2.gz WYXKUAQJYDSZLX-UHFFFAOYSA-N 1 0 346.353 2.622 10 5 EFBERO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000355128554 475686452 /nfs/dbraw/zinc/68/64/52/475686452.db2.gz CNZDIPSFDVJJGZ-GXTWGEPZSA-N 1 0 336.388 2.613 10 5 EFBERO COc1cccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000340024418 475694465 /nfs/dbraw/zinc/69/44/65/475694465.db2.gz ZIVVJGLNQQERGX-OAHLLOKOSA-N 1 0 349.431 2.685 10 5 EFBERO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343066410 475736013 /nfs/dbraw/zinc/73/60/13/475736013.db2.gz GELWEBHXRVFLIN-GHMZBOCLSA-N 1 0 325.434 2.957 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207481 475743806 /nfs/dbraw/zinc/74/38/06/475743806.db2.gz OCUFMGPFEZZYKO-UONOGXRCSA-N 1 0 348.399 2.710 10 5 EFBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207476 475744146 /nfs/dbraw/zinc/74/41/46/475744146.db2.gz OCUFMGPFEZZYKO-KGLIPLIRSA-N 1 0 348.399 2.710 10 5 EFBERO CC[NH+]1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])c(C)c2)CC1 ZINC000340150701 475803517 /nfs/dbraw/zinc/80/35/17/475803517.db2.gz BDPMOGIBCJBZBR-UHFFFAOYSA-N 1 0 341.415 2.606 10 5 EFBERO Cc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000340152349 475804903 /nfs/dbraw/zinc/80/49/03/475804903.db2.gz KQOHQIJRZYXKIM-QGZVFWFLSA-N 1 0 326.400 2.969 10 5 EFBERO CCN(CC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353282566 475831316 /nfs/dbraw/zinc/83/13/16/475831316.db2.gz JNBRRUVWAGWMOO-UHFFFAOYSA-N 1 0 348.355 2.858 10 5 EFBERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338425091 475892520 /nfs/dbraw/zinc/89/25/20/475892520.db2.gz PSYGSQSCURXOOL-AWEZNQCLSA-N 1 0 334.420 2.683 10 5 EFBERO CC[N@@H+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000343265792 475904275 /nfs/dbraw/zinc/90/42/75/475904275.db2.gz CEAZCTHUWDVFIL-CQSZACIVSA-N 1 0 341.415 2.891 10 5 EFBERO CS[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000362016275 475938668 /nfs/dbraw/zinc/93/86/68/475938668.db2.gz PKXUPCJFGFNJIL-QWHCGFSZSA-N 1 0 327.475 2.668 10 5 EFBERO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000298064155 475971304 /nfs/dbraw/zinc/97/13/04/475971304.db2.gz KKGQQHKPRCODOG-CYBMUJFWSA-N 1 0 340.374 2.937 10 5 EFBERO C[C@@]12CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298221694 476024452 /nfs/dbraw/zinc/02/44/52/476024452.db2.gz GDGPAVDGLYIWKR-DZGCQCFKSA-N 1 0 339.342 2.901 10 5 EFBERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340515405 476078874 /nfs/dbraw/zinc/07/88/74/476078874.db2.gz CZFWIKDVNQRMAS-UHFFFAOYSA-N 1 0 342.399 2.839 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC000343624164 476092581 /nfs/dbraw/zinc/09/25/81/476092581.db2.gz JHQMEKNLMGKNPN-UHFFFAOYSA-N 1 0 326.400 2.927 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000334074055 476106238 /nfs/dbraw/zinc/10/62/38/476106238.db2.gz GWZJSCATXFRQLL-CZUORRHYSA-N 1 0 348.447 2.775 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CC(F)F)CC1CCC1 ZINC000343777260 476112781 /nfs/dbraw/zinc/11/27/81/476112781.db2.gz XWOAOLPKSIHSSU-ZDUSSCGKSA-N 1 0 344.358 2.702 10 5 EFBERO Cn1cc(C[NH2+]CC[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344274065 476206977 /nfs/dbraw/zinc/20/69/77/476206977.db2.gz QIWJBIDFAFCDPE-ZDUSSCGKSA-N 1 0 330.388 2.512 10 5 EFBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357077812 476211162 /nfs/dbraw/zinc/21/11/62/476211162.db2.gz XLHSPWZZNMCNTH-KDOFPFPSSA-N 1 0 347.415 2.814 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)n2)c1 ZINC000362453261 476262129 /nfs/dbraw/zinc/26/21/29/476262129.db2.gz WWVNWVYNXRVRIW-HIFRSBDPSA-N 1 0 344.371 2.646 10 5 EFBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)n2)c1 ZINC000362453260 476262619 /nfs/dbraw/zinc/26/26/19/476262619.db2.gz WWVNWVYNXRVRIW-DZGCQCFKSA-N 1 0 344.371 2.646 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362455718 476264988 /nfs/dbraw/zinc/26/49/88/476264988.db2.gz SWRFIHNZZOXZSK-YOEHRIQHSA-N 1 0 347.415 2.733 10 5 EFBERO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324664 476278560 /nfs/dbraw/zinc/27/85/60/476278560.db2.gz UYLRAFSCYPBYOD-RYUDHWBXSA-N 1 0 334.372 2.970 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360666893 476334443 /nfs/dbraw/zinc/33/44/43/476334443.db2.gz SBZHPBWZLNXMQV-MAUKXSAKSA-N 1 0 345.443 2.859 10 5 EFBERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353956931 476336195 /nfs/dbraw/zinc/33/61/95/476336195.db2.gz MXNNLXNYYRFJJD-NEPJUHHUSA-N 1 0 326.418 2.520 10 5 EFBERO CC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353976524 476344086 /nfs/dbraw/zinc/34/40/86/476344086.db2.gz XYYMHPPTAPFTIN-SMDDNHRTSA-N 1 0 326.418 2.601 10 5 EFBERO CC[C@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353976523 476344152 /nfs/dbraw/zinc/34/41/52/476344152.db2.gz XYYMHPPTAPFTIN-RISCZKNCSA-N 1 0 326.418 2.601 10 5 EFBERO CCC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353984437 476346942 /nfs/dbraw/zinc/34/69/42/476346942.db2.gz YTWGOLWUPJSJTB-WFASDCNBSA-N 1 0 340.445 2.991 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000357372414 476348944 /nfs/dbraw/zinc/34/89/44/476348944.db2.gz YHSSJIRCKAYMFA-UHFFFAOYSA-N 1 0 325.796 2.723 10 5 EFBERO Cn1cc(C[N@H+](C)Cc2ccc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354026441 476375251 /nfs/dbraw/zinc/37/52/51/476375251.db2.gz TXONPLSIPNRHIW-UHFFFAOYSA-N 1 0 325.372 2.955 10 5 EFBERO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354117923 476439611 /nfs/dbraw/zinc/43/96/11/476439611.db2.gz UECYFISGCVVJPE-UONOGXRCSA-N 1 0 325.434 2.878 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000363868252 476501957 /nfs/dbraw/zinc/50/19/57/476501957.db2.gz NCYDEUSUOCTXMK-CGTJXYLNSA-N 1 0 333.432 2.587 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000363868251 476502937 /nfs/dbraw/zinc/50/29/37/476502937.db2.gz NCYDEUSUOCTXMK-BPQIPLTHSA-N 1 0 333.432 2.587 10 5 EFBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000362959909 476504219 /nfs/dbraw/zinc/50/42/19/476504219.db2.gz GNZRMZFZVLJDJQ-INIZCTEOSA-N 1 0 331.372 2.715 10 5 EFBERO C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361003113 476537460 /nfs/dbraw/zinc/53/74/60/476537460.db2.gz RQKHRWZWBXQOJV-GDBMZVCRSA-N 1 0 326.400 2.877 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363155424 476582511 /nfs/dbraw/zinc/58/25/11/476582511.db2.gz NIZNFXTXGMEJOO-ZWXLGZMVSA-N 1 0 345.399 2.820 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000354424300 476654122 /nfs/dbraw/zinc/65/41/22/476654122.db2.gz IYDKRBNVRNMNTP-CMPLNLGQSA-N 1 0 325.434 2.910 10 5 EFBERO CO[C@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000354465344 476676358 /nfs/dbraw/zinc/67/63/58/476676358.db2.gz VLILMDNDQGBBOQ-CQSZACIVSA-N 1 0 337.420 2.977 10 5 EFBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000456689107 476692265 /nfs/dbraw/zinc/69/22/65/476692265.db2.gz AINJYQXRFTTZCV-UHFFFAOYSA-N 1 0 346.431 2.530 10 5 EFBERO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375160289 476694642 /nfs/dbraw/zinc/69/46/42/476694642.db2.gz OIUBIVWLIWGKRJ-INIZCTEOSA-N 1 0 331.372 2.991 10 5 EFBERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354523453 476705496 /nfs/dbraw/zinc/70/54/96/476705496.db2.gz UQXLHVWRDKUZCG-UHFFFAOYSA-N 1 0 329.356 2.923 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445812216 476772330 /nfs/dbraw/zinc/77/23/30/476772330.db2.gz WRADUAKXZNIJQQ-GOSISDBHSA-N 1 0 340.383 2.978 10 5 EFBERO COC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452074696 476806622 /nfs/dbraw/zinc/80/66/22/476806622.db2.gz CGZMHZXXAZMAFC-CYBMUJFWSA-N 1 0 346.387 2.893 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452075724 476808380 /nfs/dbraw/zinc/80/83/80/476808380.db2.gz AYPSTOIBZCJRFS-CABCVRRESA-N 1 0 349.431 2.979 10 5 EFBERO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000391066683 476810076 /nfs/dbraw/zinc/81/00/76/476810076.db2.gz NPQZRZSEUWICSS-KRWDZBQOSA-N 1 0 342.399 2.693 10 5 EFBERO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000452096655 476820736 /nfs/dbraw/zinc/82/07/36/476820736.db2.gz YKJCEHPMASAFJB-KGLIPLIRSA-N 1 0 335.404 2.670 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465260 476851904 /nfs/dbraw/zinc/85/19/04/476851904.db2.gz MVOVNFOKUQTKEU-ZDUSSCGKSA-N 1 0 344.371 2.853 10 5 EFBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375465230 476852188 /nfs/dbraw/zinc/85/21/88/476852188.db2.gz HSAWRHCARSSYKY-CYBMUJFWSA-N 1 0 344.371 2.724 10 5 EFBERO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398004894 476865420 /nfs/dbraw/zinc/86/54/20/476865420.db2.gz XIGCLRKIQCKRJG-QGZVFWFLSA-N 1 0 329.404 2.795 10 5 EFBERO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446849118 476926504 /nfs/dbraw/zinc/92/65/04/476926504.db2.gz LWNYOFVFGYUAJH-GFCCVEGCSA-N 1 0 342.403 2.969 10 5 EFBERO COc1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000415435472 476928470 /nfs/dbraw/zinc/92/84/70/476928470.db2.gz IUDVXFQIHMDFTR-UHFFFAOYSA-N 1 0 336.392 2.777 10 5 EFBERO O=C1[C@@H]([NH2+][C@H]2CC3CCC2CC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431077567 476973584 /nfs/dbraw/zinc/97/35/84/476973584.db2.gz PFLGSSUJSNXNBQ-SMELUJQZSA-N 1 0 329.400 2.868 10 5 EFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC000370768180 476977565 /nfs/dbraw/zinc/97/75/65/476977565.db2.gz RLCQNDNQPWFFLE-GIZXNFQBSA-N 1 0 339.399 2.657 10 5 EFBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457375796 476994930 /nfs/dbraw/zinc/99/49/30/476994930.db2.gz ZBMDMSOKRLTZNT-PGUXBMHVSA-N 1 0 337.445 2.905 10 5 EFBERO CN(C)c1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542514 477009415 /nfs/dbraw/zinc/00/94/15/477009415.db2.gz JJQXMBNWFFTKBD-CABCVRRESA-N 1 0 344.419 2.526 10 5 EFBERO CCOc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416090859 477014038 /nfs/dbraw/zinc/01/40/38/477014038.db2.gz FEDGMAYVVCBZRF-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2ccccn2)n1 ZINC000447578927 477016832 /nfs/dbraw/zinc/01/68/32/477016832.db2.gz ICDJLMRQHSAPRH-HOTGVXAUSA-N 1 0 329.404 2.892 10 5 EFBERO C[N@H+](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccc(F)cc1 ZINC000447667618 477032330 /nfs/dbraw/zinc/03/23/30/477032330.db2.gz FGXBCHHOFNBPGL-UHFFFAOYSA-N 1 0 343.362 2.576 10 5 EFBERO CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375900184 477071000 /nfs/dbraw/zinc/07/10/00/477071000.db2.gz GNOWFGATXHFLRI-UKRRQHHQSA-N 1 0 347.415 2.692 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000366627651 477103785 /nfs/dbraw/zinc/10/37/85/477103785.db2.gz FTIULVJRYFIDQV-UONOGXRCSA-N 1 0 349.456 2.921 10 5 EFBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000423682743 477106983 /nfs/dbraw/zinc/10/69/83/477106983.db2.gz TVKJQUXCFHYEDM-LRDDRELGSA-N 1 0 341.367 2.949 10 5 EFBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238475 477193924 /nfs/dbraw/zinc/19/39/24/477193924.db2.gz XCRGTSSLEYVEMH-NVXWUHKLSA-N 1 0 331.416 2.518 10 5 EFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000376161018 477204523 /nfs/dbraw/zinc/20/45/23/477204523.db2.gz GCDKNGJRQFKZEQ-SMKXDYDZSA-N 1 0 331.416 2.515 10 5 EFBERO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411415901 477226338 /nfs/dbraw/zinc/22/63/38/477226338.db2.gz NXMFNCJVCXWMRQ-AWEZNQCLSA-N 1 0 349.431 2.986 10 5 EFBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423952323 477230709 /nfs/dbraw/zinc/23/07/09/477230709.db2.gz IPULVUYJRFBDIV-CJNGLKHVSA-N 1 0 349.456 2.678 10 5 EFBERO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411462152 477243850 /nfs/dbraw/zinc/24/38/50/477243850.db2.gz XLAZPPQCDBKXOS-KRWDZBQOSA-N 1 0 343.383 2.901 10 5 EFBERO C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424057030 477277120 /nfs/dbraw/zinc/27/71/20/477277120.db2.gz LPKGAGGVROAWDL-ZDUSSCGKSA-N 1 0 348.447 2.688 10 5 EFBERO CCOc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424228859 477336174 /nfs/dbraw/zinc/33/61/74/477336174.db2.gz XTWXWUUNQUDRBW-CYBMUJFWSA-N 1 0 347.415 2.598 10 5 EFBERO COC(=O)COc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000434780362 477340777 /nfs/dbraw/zinc/34/07/77/477340777.db2.gz XZXYTEMEUNJEMG-UHFFFAOYSA-N 1 0 348.399 2.959 10 5 EFBERO C[NH+](C)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448939244 477349920 /nfs/dbraw/zinc/34/99/20/477349920.db2.gz BKZWBKBKUMYOME-UHFFFAOYSA-N 1 0 345.321 2.780 10 5 EFBERO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(c2cnccn2)CC1 ZINC000367217921 477399868 /nfs/dbraw/zinc/39/98/68/477399868.db2.gz CVSKDYDQEHFMKE-UHFFFAOYSA-N 1 0 345.378 2.625 10 5 EFBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)nc1 ZINC000449029843 477400751 /nfs/dbraw/zinc/40/07/51/477400751.db2.gz PYFRHDMBCQCCLD-ZDUSSCGKSA-N 1 0 339.355 2.817 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371700720 477452712 /nfs/dbraw/zinc/45/27/12/477452712.db2.gz KAPZPUZCODACRY-UHFFFAOYSA-N 1 0 342.395 2.613 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413114513 477526243 /nfs/dbraw/zinc/52/62/43/477526243.db2.gz DVLFADPFOGGFAS-JTQLQIEISA-N 1 0 348.325 2.531 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449394983 477562562 /nfs/dbraw/zinc/56/25/62/477562562.db2.gz OVVPWZWHTKKZAG-MRXNPFEDSA-N 1 0 335.448 2.655 10 5 EFBERO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449394982 477563126 /nfs/dbraw/zinc/56/31/26/477563126.db2.gz OVVPWZWHTKKZAG-INIZCTEOSA-N 1 0 335.448 2.655 10 5 EFBERO Cc1nc(NCc2ccccc2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000450226750 477583742 /nfs/dbraw/zinc/58/37/42/477583742.db2.gz GVLWELFJAPRAHE-UHFFFAOYSA-N 1 0 341.415 2.713 10 5 EFBERO C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000450228904 477584348 /nfs/dbraw/zinc/58/43/48/477584348.db2.gz VUHGBMNYAGICLM-KRWDZBQOSA-N 1 0 337.383 2.964 10 5 EFBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425067928 477628986 /nfs/dbraw/zinc/62/89/86/477628986.db2.gz SMMPLSMCWWRJGX-SMDDNHRTSA-N 1 0 337.807 2.723 10 5 EFBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000372283847 477734928 /nfs/dbraw/zinc/73/49/28/477734928.db2.gz VFFMAFACKRHZOM-OHOWAWRESA-N 1 0 348.399 2.651 10 5 EFBERO CC[C@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000450861371 477739471 /nfs/dbraw/zinc/73/94/71/477739471.db2.gz PWROSBHQIISNPH-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438493274 477852087 /nfs/dbraw/zinc/85/20/87/477852087.db2.gz LIZUIBRGEDDSGJ-ZDUSSCGKSA-N 1 0 335.404 2.910 10 5 EFBERO CC[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000493870229 477867521 /nfs/dbraw/zinc/86/75/21/477867521.db2.gz DGYIZBPGFHLHPB-ZDUSSCGKSA-N 1 0 341.839 2.791 10 5 EFBERO CCOc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000456348036 477876712 /nfs/dbraw/zinc/87/67/12/477876712.db2.gz KCQXVTYQXPEZMI-AWEZNQCLSA-N 1 0 335.404 2.550 10 5 EFBERO CCC[NH+]1CCC(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000558589211 477891320 /nfs/dbraw/zinc/89/13/20/477891320.db2.gz AOEIYRVVKNCSBR-UHFFFAOYSA-N 1 0 345.403 2.778 10 5 EFBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451237981 477896488 /nfs/dbraw/zinc/89/64/88/477896488.db2.gz SKZJKLFJYJKWLR-KGLIPLIRSA-N 1 0 336.388 2.815 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451299930 477939703 /nfs/dbraw/zinc/93/97/03/477939703.db2.gz KVKIXXHQMCLRGM-YUELXQCFSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451299928 477939918 /nfs/dbraw/zinc/93/99/18/477939918.db2.gz KVKIXXHQMCLRGM-CFVMTHIKSA-N 1 0 340.807 2.610 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451340607 477964018 /nfs/dbraw/zinc/96/40/18/477964018.db2.gz JXSVHHITHROLSI-KSZLIROESA-N 1 0 334.416 2.989 10 5 EFBERO CC(=O)NC1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000516679552 477974410 /nfs/dbraw/zinc/97/44/10/477974410.db2.gz QKCMCCXJHMLGBI-UHFFFAOYSA-N 1 0 344.415 2.656 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)s2)cc1 ZINC000459664330 478028658 /nfs/dbraw/zinc/02/86/58/478028658.db2.gz AYJBHVNKIQYOKR-KRWDZBQOSA-N 1 0 348.424 2.643 10 5 EFBERO CNc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517396888 478090870 /nfs/dbraw/zinc/09/08/70/478090870.db2.gz PKCRVYMAIWUSFF-STQMWFEESA-N 1 0 334.420 2.629 10 5 EFBERO Cc1c(NC(=O)CC[NH2+]C2(CCO)CCCCC2)cccc1[N+](=O)[O-] ZINC000440893817 478173183 /nfs/dbraw/zinc/17/31/83/478173183.db2.gz JSXFAOYSHFAMEW-UHFFFAOYSA-N 1 0 349.431 2.907 10 5 EFBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488744970 478178050 /nfs/dbraw/zinc/17/80/50/478178050.db2.gz AMSRYKLCDJTPPO-CYBMUJFWSA-N 1 0 328.372 2.989 10 5 EFBERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000518562503 478178446 /nfs/dbraw/zinc/17/84/46/478178446.db2.gz JNDQVPVFAKSWOD-CYGHRXIMSA-N 1 0 342.399 2.787 10 5 EFBERO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451810563 478212382 /nfs/dbraw/zinc/21/23/82/478212382.db2.gz PMGOKZFRAFDZMW-RNCFNFMXSA-N 1 0 341.795 2.590 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000536533271 478254643 /nfs/dbraw/zinc/25/46/43/478254643.db2.gz QJLMVDBDINKQHH-AWEZNQCLSA-N 1 0 327.384 2.984 10 5 EFBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228393 478298727 /nfs/dbraw/zinc/29/87/27/478298727.db2.gz KWTUQEGBSWGTPZ-HNNXBMFYSA-N 1 0 346.431 2.530 10 5 EFBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600228476 478299185 /nfs/dbraw/zinc/29/91/85/478299185.db2.gz BDGQMRPLJCRYRD-CQSZACIVSA-N 1 0 335.379 2.871 10 5 EFBERO CNc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600230004 478301660 /nfs/dbraw/zinc/30/16/60/478301660.db2.gz NPCXXLUDBPBHJD-AWEZNQCLSA-N 1 0 346.431 2.773 10 5 EFBERO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600470730 478382961 /nfs/dbraw/zinc/38/29/61/478382961.db2.gz IFBXVHVEKBLVJK-HNNXBMFYSA-N 1 0 347.415 2.740 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600468737 478383779 /nfs/dbraw/zinc/38/37/79/478383779.db2.gz HCKOSVJDAPNSJA-OAHLLOKOSA-N 1 0 331.416 2.958 10 5 EFBERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594504437 478415154 /nfs/dbraw/zinc/41/51/54/478415154.db2.gz NIBIRDNYQVUVJL-INIZCTEOSA-N 1 0 346.408 2.775 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506535 478417248 /nfs/dbraw/zinc/41/72/48/478417248.db2.gz BDHMDUXAWQZCBC-CVEARBPZSA-N 1 0 339.395 2.948 10 5 EFBERO CO[C@@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594508120 478417321 /nfs/dbraw/zinc/41/73/21/478417321.db2.gz AYSRZSGXKLOLPU-MRXNPFEDSA-N 1 0 336.413 2.810 10 5 EFBERO CO[C@](C)(CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594510901 478419579 /nfs/dbraw/zinc/41/95/79/478419579.db2.gz POTSPKPOVUCPCT-INIZCTEOSA-N 1 0 336.413 2.810 10 5 EFBERO [NH3+]C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000594583562 478448863 /nfs/dbraw/zinc/44/88/63/478448863.db2.gz WOJVEIKGYDKIBD-CYBMUJFWSA-N 1 0 329.278 2.834 10 5 EFBERO CCC(C)(C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000594590446 478452618 /nfs/dbraw/zinc/45/26/18/478452618.db2.gz AZNPAGGAAIYEKO-UHFFFAOYSA-N 1 0 345.403 2.554 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000597665101 478454165 /nfs/dbraw/zinc/45/41/65/478454165.db2.gz DXTAAMLEKQLBHH-UHFFFAOYSA-N 1 0 328.372 2.921 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000597668262 478455753 /nfs/dbraw/zinc/45/57/53/478455753.db2.gz UVYMOQPQNAECLA-UHFFFAOYSA-N 1 0 342.399 2.634 10 5 EFBERO CSc1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000597666570 478455767 /nfs/dbraw/zinc/45/57/67/478455767.db2.gz KYAUSMAHKMYLOL-UHFFFAOYSA-N 1 0 349.456 2.875 10 5 EFBERO CC(C)(C)n1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000581907004 478463028 /nfs/dbraw/zinc/46/30/28/478463028.db2.gz XQJCSVFLCCODOO-UHFFFAOYSA-N 1 0 342.403 2.755 10 5 EFBERO CC(C)n1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000582025778 478493934 /nfs/dbraw/zinc/49/39/34/478493934.db2.gz DJSYYBJSYFSHQM-UHFFFAOYSA-N 1 0 328.376 2.581 10 5 EFBERO [NH3+]C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000600739160 478498302 /nfs/dbraw/zinc/49/83/02/478498302.db2.gz PZVVBWQVCJALGN-FZMZJTMJSA-N 1 0 347.337 2.575 10 5 EFBERO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000594693779 478499466 /nfs/dbraw/zinc/49/94/66/478499466.db2.gz UJXBTCQKVIFEJW-LBPRGKRZSA-N 1 0 347.444 2.816 10 5 EFBERO O=C(CC[NH2+]C[C@H]1CCN1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754749 478504379 /nfs/dbraw/zinc/50/43/79/478504379.db2.gz HYYNXDUBZJUWPZ-OAHLLOKOSA-N 1 0 346.431 2.530 10 5 EFBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594714032 478509619 /nfs/dbraw/zinc/50/96/19/478509619.db2.gz WGBKMYJTRYZTHW-MLGOLLRUSA-N 1 0 325.368 2.833 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591298696 478514085 /nfs/dbraw/zinc/51/40/85/478514085.db2.gz STWKMUQRWGSEFB-KRWDZBQOSA-N 1 0 332.404 2.819 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776734 478514573 /nfs/dbraw/zinc/51/45/73/478514573.db2.gz RMHSTFDJYZNKQS-GXTWGEPZSA-N 1 0 331.338 2.862 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597853966 478541016 /nfs/dbraw/zinc/54/10/16/478541016.db2.gz FPBSRCGOAJYVAQ-GFCCVEGCSA-N 1 0 344.415 2.926 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000597856868 478541959 /nfs/dbraw/zinc/54/19/59/478541959.db2.gz BXCSCUDGPAHUMW-LBPRGKRZSA-N 1 0 337.445 2.676 10 5 EFBERO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858742 478545182 /nfs/dbraw/zinc/54/51/82/478545182.db2.gz OQYGAIQDUOHZHD-LBPRGKRZSA-N 1 0 337.445 2.919 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859735 478547271 /nfs/dbraw/zinc/54/72/71/478547271.db2.gz GLEYZWSWFGAJEY-GFCCVEGCSA-N 1 0 335.404 2.596 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925541 478579278 /nfs/dbraw/zinc/57/92/78/478579278.db2.gz WVCLXAHLCBPMOR-LLVKDONJSA-N 1 0 330.388 2.679 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000571382094 478581990 /nfs/dbraw/zinc/58/19/90/478581990.db2.gz HNZVQZKSFDYQOS-VBQJREDUSA-N 1 0 333.432 2.887 10 5 EFBERO COc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000594918374 478583944 /nfs/dbraw/zinc/58/39/44/478583944.db2.gz QMUDWEMMUKGUAI-UHFFFAOYSA-N 1 0 330.388 2.894 10 5 EFBERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594924385 478587059 /nfs/dbraw/zinc/58/70/59/478587059.db2.gz NJOWEXPZDFHYRU-UHFFFAOYSA-N 1 0 344.293 2.516 10 5 EFBERO CC(C)(C)c1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000591587598 478587265 /nfs/dbraw/zinc/58/72/65/478587265.db2.gz KPVWLMILWDVTBB-UHFFFAOYSA-N 1 0 331.416 2.860 10 5 EFBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000600962674 478587283 /nfs/dbraw/zinc/58/72/83/478587283.db2.gz IWJJHSLCAYUCDU-KYZUINATSA-N 1 0 329.198 2.682 10 5 EFBERO Cn1ncc(C2CCC2)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594924342 478587847 /nfs/dbraw/zinc/58/78/47/478587847.db2.gz MHOSIHAAWTZNJW-UHFFFAOYSA-N 1 0 330.388 2.764 10 5 EFBERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594928154 478590100 /nfs/dbraw/zinc/59/01/00/478590100.db2.gz DREQWJNBPJCUIN-UHFFFAOYSA-N 1 0 328.294 2.679 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000597946313 478590341 /nfs/dbraw/zinc/59/03/41/478590341.db2.gz OCJLWWSFPROMLT-RDJZCZTQSA-N 1 0 333.432 2.716 10 5 EFBERO C[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000541855712 478596576 /nfs/dbraw/zinc/59/65/76/478596576.db2.gz UVHUZZWVVDJWHX-CYBMUJFWSA-N 1 0 328.372 2.694 10 5 EFBERO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)n1cncn1 ZINC000582456450 478601544 /nfs/dbraw/zinc/60/15/44/478601544.db2.gz ULNLCORICAXFHS-LBPRGKRZSA-N 1 0 342.403 2.624 10 5 EFBERO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000594948918 478601618 /nfs/dbraw/zinc/60/16/18/478601618.db2.gz BMNZGRASWNZKAB-KSSFIOAISA-N 1 0 346.383 2.996 10 5 EFBERO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC000594956933 478604004 /nfs/dbraw/zinc/60/40/04/478604004.db2.gz YMUAJPOEYBYPEE-LBPRGKRZSA-N 1 0 329.356 2.654 10 5 EFBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997679 478605186 /nfs/dbraw/zinc/60/51/86/478605186.db2.gz AVPKPUYDZVKGOR-IRXDYDNUSA-N 1 0 343.427 2.760 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594967555 478610689 /nfs/dbraw/zinc/61/06/89/478610689.db2.gz VGHLKYSPGRIHND-ZFISUJSUSA-N 1 0 334.416 2.764 10 5 EFBERO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973880 478613000 /nfs/dbraw/zinc/61/30/00/478613000.db2.gz GABYMTSWHCZHMH-GXTWGEPZSA-N 1 0 340.445 2.774 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990459 478620881 /nfs/dbraw/zinc/62/08/81/478620881.db2.gz QUZSRRRFJLMGPX-QZTJIDSGSA-N 1 0 345.443 2.636 10 5 EFBERO COC(=O)COc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000594993848 478621423 /nfs/dbraw/zinc/62/14/23/478621423.db2.gz RWRVEDVMVHQFAE-KRWDZBQOSA-N 1 0 336.388 2.671 10 5 EFBERO CCC[N@H+](C)C[C@H]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000542048342 478625175 /nfs/dbraw/zinc/62/51/75/478625175.db2.gz XPVVFWQTMWFBNE-CYBMUJFWSA-N 1 0 335.404 2.550 10 5 EFBERO CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@H+](CC)C1 ZINC000598038478 478627170 /nfs/dbraw/zinc/62/71/70/478627170.db2.gz DLZPVIIQQBEGTA-GFCCVEGCSA-N 1 0 330.388 2.632 10 5 EFBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039844 478627295 /nfs/dbraw/zinc/62/72/95/478627295.db2.gz APWJSHRHIYJSAM-CQSZACIVSA-N 1 0 331.372 2.897 10 5 EFBERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556046 478628933 /nfs/dbraw/zinc/62/89/33/478628933.db2.gz KJADJFQHBJTWQY-HOCLYGCPSA-N 1 0 331.416 2.643 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000595052794 478643849 /nfs/dbraw/zinc/64/38/49/478643849.db2.gz AFXTWSBMZPQTSW-BBRMVZONSA-N 1 0 348.447 2.774 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000595054242 478644064 /nfs/dbraw/zinc/64/40/64/478644064.db2.gz OIGKJHGUHUBZJU-CZUORRHYSA-N 1 0 348.447 2.774 10 5 EFBERO CN1c2ccccc2C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000595062669 478646126 /nfs/dbraw/zinc/64/61/26/478646126.db2.gz NTRKZFMVGCRTBN-HZPDHXFCSA-N 1 0 337.379 2.759 10 5 EFBERO CN1c2ccccc2C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000595062668 478646917 /nfs/dbraw/zinc/64/69/17/478646917.db2.gz NTRKZFMVGCRTBN-HOTGVXAUSA-N 1 0 337.379 2.759 10 5 EFBERO CN1c2ccccc2C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000595062670 478647052 /nfs/dbraw/zinc/64/70/52/478647052.db2.gz NTRKZFMVGCRTBN-JKSUJKDBSA-N 1 0 337.379 2.759 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000595069663 478649169 /nfs/dbraw/zinc/64/91/69/478649169.db2.gz PORIYWZUZBWLDZ-HIFRSBDPSA-N 1 0 326.343 2.930 10 5 EFBERO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074943 478652185 /nfs/dbraw/zinc/65/21/85/478652185.db2.gz XEVSFBZPJLBWAO-LRDDRELGSA-N 1 0 338.404 2.696 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000595078789 478652215 /nfs/dbraw/zinc/65/22/15/478652215.db2.gz FMTMVORGYSWARB-DVOMOZLQSA-N 1 0 335.404 2.859 10 5 EFBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000595078791 478652464 /nfs/dbraw/zinc/65/24/64/478652464.db2.gz FMTMVORGYSWARB-IOASZLSFSA-N 1 0 335.404 2.859 10 5 EFBERO Cc1ccncc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595074349 478652649 /nfs/dbraw/zinc/65/26/49/478652649.db2.gz QUCHEGPCXKJCGF-AWEZNQCLSA-N 1 0 342.399 2.848 10 5 EFBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CC1(F)F ZINC000595081975 478653238 /nfs/dbraw/zinc/65/32/38/478653238.db2.gz VDDHYZGECMPRNI-HZMBPMFUSA-N 1 0 327.331 2.947 10 5 EFBERO COc1ccnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1F ZINC000595080104 478654085 /nfs/dbraw/zinc/65/40/85/478654085.db2.gz JAVHTMAIMYGHAZ-YPMHNXCESA-N 1 0 349.366 2.608 10 5 EFBERO Cc1cncc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595090342 478656288 /nfs/dbraw/zinc/65/62/88/478656288.db2.gz NMFPQTUPYICHKP-QGZVFWFLSA-N 1 0 326.400 2.847 10 5 EFBERO O=C1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N1 ZINC000595090371 478656910 /nfs/dbraw/zinc/65/69/10/478656910.db2.gz NYFFYOBQGNGLIQ-MAUKXSAKSA-N 1 0 325.368 2.552 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595092619 478657802 /nfs/dbraw/zinc/65/78/02/478657802.db2.gz MCMATUCFWOZKHQ-IMRCBTMISA-N 1 0 344.415 2.558 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104755 478658578 /nfs/dbraw/zinc/65/85/78/478658578.db2.gz FZZUHYHZWRIZKX-SECBINFHSA-N 1 0 335.330 2.633 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000582677313 478659840 /nfs/dbraw/zinc/65/98/40/478659840.db2.gz QBAXAKCQHXTZDN-INIZCTEOSA-N 1 0 331.416 2.640 10 5 EFBERO CCC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595100816 478660202 /nfs/dbraw/zinc/66/02/02/478660202.db2.gz JCAFZBIZERMCJB-OAHLLOKOSA-N 1 0 340.445 2.993 10 5 EFBERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000595102123 478660553 /nfs/dbraw/zinc/66/05/53/478660553.db2.gz JWUZOSHGPZQXDQ-LBPRGKRZSA-N 1 0 326.418 2.521 10 5 EFBERO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595104909 478662709 /nfs/dbraw/zinc/66/27/09/478662709.db2.gz AATVBOANKMTPRG-HOCLYGCPSA-N 1 0 344.415 2.822 10 5 EFBERO CC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601115730 478664859 /nfs/dbraw/zinc/66/48/59/478664859.db2.gz JMDJDKXEVCWZRX-VIFPVBQESA-N 1 0 335.330 2.633 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601122406 478670303 /nfs/dbraw/zinc/67/03/03/478670303.db2.gz VVRPUFPAKDMPRD-VHSXEESVSA-N 1 0 349.357 2.656 10 5 EFBERO Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595220909 478691358 /nfs/dbraw/zinc/69/13/58/478691358.db2.gz LYGIOUZKSZQFAW-IAGOWNOFSA-N 1 0 339.395 2.860 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224850 478692522 /nfs/dbraw/zinc/69/25/22/478692522.db2.gz IHKAGGSNNLCZKE-CABCVRRESA-N 1 0 347.415 2.598 10 5 EFBERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224853 478692721 /nfs/dbraw/zinc/69/27/21/478692721.db2.gz IHKAGGSNNLCZKE-LSDHHAIUSA-N 1 0 347.415 2.598 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595224307 478692833 /nfs/dbraw/zinc/69/28/33/478692833.db2.gz CLGBDWNPAWPRSF-YOEHRIQHSA-N 1 0 331.416 2.898 10 5 EFBERO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1c1cccc(F)c1 ZINC000595225716 478693199 /nfs/dbraw/zinc/69/31/99/478693199.db2.gz NQXJCGLSUJRWFK-GDBMZVCRSA-N 1 0 343.358 2.691 10 5 EFBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595226620 478694570 /nfs/dbraw/zinc/69/45/70/478694570.db2.gz WUIQPVDVLYDIGO-NVXWUHKLSA-N 1 0 331.416 2.898 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226130 478694928 /nfs/dbraw/zinc/69/49/28/478694928.db2.gz QDSYOVYZKTVPFM-WMLDXEAASA-N 1 0 331.416 2.898 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595233892 478697062 /nfs/dbraw/zinc/69/70/62/478697062.db2.gz YWYLESNNTLZSDX-AWEZNQCLSA-N 1 0 332.404 2.838 10 5 EFBERO C[NH+](C)CC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601163574 478700168 /nfs/dbraw/zinc/70/01/68/478700168.db2.gz KQMGEWYCIBFTDN-UHFFFAOYSA-N 1 0 345.443 2.817 10 5 EFBERO O=C(CC[NH2+]CCC[C@@H]1CCCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000582846019 478701980 /nfs/dbraw/zinc/70/19/80/478701980.db2.gz UJQVGIAYJOAQKU-WMLDXEAASA-N 1 0 349.431 2.844 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000601172142 478705096 /nfs/dbraw/zinc/70/50/96/478705096.db2.gz WBCHYNOXGCEBMX-UHFFFAOYSA-N 1 0 347.341 2.776 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000595259169 478706048 /nfs/dbraw/zinc/70/60/48/478706048.db2.gz YMGZKGHXRVNVFX-QGZVFWFLSA-N 1 0 341.367 2.816 10 5 EFBERO CC[NH+](CC)CC1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542972987 478711813 /nfs/dbraw/zinc/71/18/13/478711813.db2.gz IZOKWNSCYDOPQA-UHFFFAOYSA-N 1 0 349.431 2.940 10 5 EFBERO CCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601187644 478713756 /nfs/dbraw/zinc/71/37/56/478713756.db2.gz UAXQZOQAYRMGCX-UHFFFAOYSA-N 1 0 349.357 2.658 10 5 EFBERO O=c1[nH]cnc2cc(NC3CC([NH+]4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000571971532 478716979 /nfs/dbraw/zinc/71/69/79/478716979.db2.gz FWYXZAOLUTWSBR-UHFFFAOYSA-N 1 0 343.387 2.672 10 5 EFBERO Cc1cc(N2CC([NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601193400 478717040 /nfs/dbraw/zinc/71/70/40/478717040.db2.gz HVNPSPQOAMOTDU-UHFFFAOYSA-N 1 0 339.399 2.645 10 5 EFBERO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601194211 478717662 /nfs/dbraw/zinc/71/76/62/478717662.db2.gz GHCRAUDUIXECQT-INIZCTEOSA-N 1 0 344.390 2.882 10 5 EFBERO C[NH+](C)CCC[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601199479 478719757 /nfs/dbraw/zinc/71/97/57/478719757.db2.gz VPNPHFFSLGIHMZ-HNNXBMFYSA-N 1 0 344.415 2.690 10 5 EFBERO CC1([NH+]2CCCC2)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000601216064 478727363 /nfs/dbraw/zinc/72/73/63/478727363.db2.gz KVPDCYOPDBPLQH-UHFFFAOYSA-N 1 0 341.415 2.993 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000601225598 478733593 /nfs/dbraw/zinc/73/35/93/478733593.db2.gz HHCWNXCVYDIIIK-UHFFFAOYSA-N 1 0 330.392 2.813 10 5 EFBERO C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000601233245 478738630 /nfs/dbraw/zinc/73/86/30/478738630.db2.gz ZTGLTOWXSOGZMY-ZFWWWQNUSA-N 1 0 331.416 2.615 10 5 EFBERO C[C@H](Cc1cnccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583066472 478753048 /nfs/dbraw/zinc/75/30/48/478753048.db2.gz FNLKCXATEYWKMO-GFCCVEGCSA-N 1 0 325.372 2.629 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000601299036 478773465 /nfs/dbraw/zinc/77/34/65/478773465.db2.gz MJQSEPDKZPCLQX-LNSITVRQSA-N 1 0 328.359 2.912 10 5 EFBERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311114 478779166 /nfs/dbraw/zinc/77/91/66/478779166.db2.gz YKGRKMHEYVJBJM-DYVFJYSZSA-N 1 0 343.427 2.615 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335396 478791447 /nfs/dbraw/zinc/79/14/47/478791447.db2.gz TYSPGOPMIRSFOS-RHSMWYFYSA-N 1 0 333.432 2.956 10 5 EFBERO [NH3+]C[C@@H]1Cc2ccccc2N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601334567 478791780 /nfs/dbraw/zinc/79/17/80/478791780.db2.gz AWUOHPAWAJDJSY-AWEZNQCLSA-N 1 0 327.384 2.611 10 5 EFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335398 478792146 /nfs/dbraw/zinc/79/21/46/478792146.db2.gz TYSPGOPMIRSFOS-YOEHRIQHSA-N 1 0 333.432 2.956 10 5 EFBERO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178313 478813487 /nfs/dbraw/zinc/81/34/87/478813487.db2.gz ABGFYBRTZGAHSV-QGZVFWFLSA-N 1 0 334.416 2.917 10 5 EFBERO COc1cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000595499569 478821454 /nfs/dbraw/zinc/82/14/54/478821454.db2.gz MQSUBKHNCPCXDS-QGZVFWFLSA-N 1 0 345.399 2.848 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592200469 478822587 /nfs/dbraw/zinc/82/25/87/478822587.db2.gz YZESVNCEVMKTJF-CVEARBPZSA-N 1 0 334.416 2.989 10 5 EFBERO CC(C)C[NH2+]C1(CO)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595512556 478828635 /nfs/dbraw/zinc/82/86/35/478828635.db2.gz TUSWJMBFLYDAND-OAHLLOKOSA-N 1 0 335.448 2.728 10 5 EFBERO Cc1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595556756 478852440 /nfs/dbraw/zinc/85/24/40/478852440.db2.gz FTWBWUDLNNOANX-HZPDHXFCSA-N 1 0 345.399 2.849 10 5 EFBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592375614 478873988 /nfs/dbraw/zinc/87/39/88/478873988.db2.gz WRFACCSRBDXBAX-BETUJISGSA-N 1 0 336.388 2.802 10 5 EFBERO CSc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601560493 478879627 /nfs/dbraw/zinc/87/96/27/478879627.db2.gz XTQREWAKISUDCP-STQMWFEESA-N 1 0 335.429 2.531 10 5 EFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592395517 478884077 /nfs/dbraw/zinc/88/40/77/478884077.db2.gz CNXGGUZWUSAVMI-KSSFIOAISA-N 1 0 336.432 2.683 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539470 478885575 /nfs/dbraw/zinc/88/55/75/478885575.db2.gz FQTHVMCNRAVKCY-UHFFFAOYSA-N 1 0 331.416 2.755 10 5 EFBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601588194 478893868 /nfs/dbraw/zinc/89/38/68/478893868.db2.gz UWRNVMZASVPIAN-AWEZNQCLSA-N 1 0 333.432 2.861 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625443 478896545 /nfs/dbraw/zinc/89/65/45/478896545.db2.gz MTVRECJAZWHXGP-GOSISDBHSA-N 1 0 347.415 2.733 10 5 EFBERO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562090 478896974 /nfs/dbraw/zinc/89/69/74/478896974.db2.gz SYNIEJANKGNNMZ-ZDUSSCGKSA-N 1 0 337.445 2.817 10 5 EFBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000565045822 478897136 /nfs/dbraw/zinc/89/71/36/478897136.db2.gz CCBOGIYOXDDNMN-FZMZJTMJSA-N 1 0 334.376 2.532 10 5 EFBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595630939 478900504 /nfs/dbraw/zinc/90/05/04/478900504.db2.gz DHLYRRCTGQLXDK-IETSOEAISA-N 1 0 344.358 2.529 10 5 EFBERO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583689548 478918196 /nfs/dbraw/zinc/91/81/96/478918196.db2.gz XSXGALLTWBLDAK-JTQLQIEISA-N 1 0 336.310 2.513 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000592516979 478925563 /nfs/dbraw/zinc/92/55/63/478925563.db2.gz MNZOQSKAFDDWSZ-GDBMZVCRSA-N 1 0 348.399 2.772 10 5 EFBERO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595683614 478934506 /nfs/dbraw/zinc/93/45/06/478934506.db2.gz WTONESULEADHPH-ZDUSSCGKSA-N 1 0 347.415 2.875 10 5 EFBERO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000595689950 478939341 /nfs/dbraw/zinc/93/93/41/478939341.db2.gz GKVPFPKKXYYOPK-QGZVFWFLSA-N 1 0 333.363 2.883 10 5 EFBERO O=c1ccc([N+](=O)[O-])cn1CCN[C@H](C(F)F)C1CCCCC1 ZINC000598647876 478944537 /nfs/dbraw/zinc/94/45/37/478944537.db2.gz CPKXBXDBVNCJTA-AWEZNQCLSA-N 1 0 329.347 2.560 10 5 EFBERO C[N@@H+]1CCCC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601685368 478952197 /nfs/dbraw/zinc/95/21/97/478952197.db2.gz ZFOZROCONJGOCF-OAHLLOKOSA-N 1 0 345.443 2.865 10 5 EFBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000601743586 478980785 /nfs/dbraw/zinc/98/07/85/478980785.db2.gz BVSGQRHSPZJYBK-UHFFFAOYSA-N 1 0 346.431 2.658 10 5 EFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595761481 478982064 /nfs/dbraw/zinc/98/20/64/478982064.db2.gz XABNGNACGREXBQ-BTJLNZGRSA-N 1 0 344.371 2.674 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769063 478988105 /nfs/dbraw/zinc/98/81/05/478988105.db2.gz OSGKWOKFPGOOKN-WMLDXEAASA-N 1 0 344.415 2.838 10 5 EFBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769061 478988171 /nfs/dbraw/zinc/98/81/71/478988171.db2.gz OSGKWOKFPGOOKN-PBHICJAKSA-N 1 0 344.415 2.838 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595771483 478989153 /nfs/dbraw/zinc/98/91/53/478989153.db2.gz PRAHICZDDHYYMT-QAPCUYQASA-N 1 0 344.415 2.708 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595934575 479079196 /nfs/dbraw/zinc/07/91/96/479079196.db2.gz OUOJRLILDPRRLP-OAHLLOKOSA-N 1 0 331.416 2.755 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000598914366 479083877 /nfs/dbraw/zinc/08/38/77/479083877.db2.gz BNGPYWDHPZKJDP-XHDPSFHLSA-N 1 0 336.367 2.730 10 5 EFBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000598916508 479084680 /nfs/dbraw/zinc/08/46/80/479084680.db2.gz ZWIACCSFDIIBTK-DHHPTOIESA-N 1 0 338.795 2.995 10 5 EFBERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595987281 479089113 /nfs/dbraw/zinc/08/91/13/479089113.db2.gz LHMKSSWQHNRAJO-CMPLNLGQSA-N 1 0 343.811 2.505 10 5 EFBERO Cc1scc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000601969513 479101290 /nfs/dbraw/zinc/10/12/90/479101290.db2.gz UCBGMUZJQJANEE-CQSZACIVSA-N 1 0 336.413 2.803 10 5 EFBERO Cc1scc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000601969063 479101352 /nfs/dbraw/zinc/10/13/52/479101352.db2.gz SGOUZBXLYLKNJJ-OAHLLOKOSA-N 1 0 336.413 2.803 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000601975092 479105124 /nfs/dbraw/zinc/10/51/24/479105124.db2.gz LIAVTPMWMXAFGA-LBPRGKRZSA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601978300 479105770 /nfs/dbraw/zinc/10/57/70/479105770.db2.gz XKIITNBMFOBBNG-JTQLQIEISA-N 1 0 325.796 2.756 10 5 EFBERO CC1(C)C[NH2+]CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000601978645 479106579 /nfs/dbraw/zinc/10/65/79/479106579.db2.gz ZOBUXMMTHNRIRP-HNNXBMFYSA-N 1 0 348.447 2.681 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596049276 479106925 /nfs/dbraw/zinc/10/69/25/479106925.db2.gz IIZGTQUCCHIQIH-SNVBAGLBSA-N 1 0 341.795 2.931 10 5 EFBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000592953202 479108101 /nfs/dbraw/zinc/10/81/01/479108101.db2.gz RYZCVTGQBMQKLX-AWEZNQCLSA-N 1 0 335.429 2.721 10 5 EFBERO COc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596061595 479115415 /nfs/dbraw/zinc/11/54/15/479115415.db2.gz LNSIKETUNDVFCB-UHFFFAOYSA-N 1 0 348.790 2.978 10 5 EFBERO Cn1cc(C[NH2+]CC[C@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598985611 479115530 /nfs/dbraw/zinc/11/55/30/479115530.db2.gz WBTGITBPSNOLMZ-CQSZACIVSA-N 1 0 344.415 2.902 10 5 EFBERO C[C@H](O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066453 479116551 /nfs/dbraw/zinc/11/65/51/479116551.db2.gz DHHQDWUSQLJAMY-UGSOOPFHSA-N 1 0 343.383 2.635 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCCO3)s2)cc1 ZINC000598990160 479116701 /nfs/dbraw/zinc/11/67/01/479116701.db2.gz IHJLRDZKEYCEFB-HOTGVXAUSA-N 1 0 348.424 2.953 10 5 EFBERO C[C@@H](O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066449 479117378 /nfs/dbraw/zinc/11/73/78/479117378.db2.gz DHHQDWUSQLJAMY-FZKQIMNGSA-N 1 0 343.383 2.635 10 5 EFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599009308 479124779 /nfs/dbraw/zinc/12/47/79/479124779.db2.gz ZQNDGUNCOSUZAO-UHFFFAOYSA-N 1 0 349.431 2.732 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000593028408 479131994 /nfs/dbraw/zinc/13/19/94/479131994.db2.gz FMDRKQYBPTZBHM-IUODEOHRSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000593028409 479132069 /nfs/dbraw/zinc/13/20/69/479132069.db2.gz FMDRKQYBPTZBHM-SWLSCSKDSA-N 1 0 336.388 2.507 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000593029589 479133187 /nfs/dbraw/zinc/13/31/87/479133187.db2.gz CRAXJOTUGCXTNM-BMFZPTHFSA-N 1 0 348.399 2.675 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000593030915 479133389 /nfs/dbraw/zinc/13/33/89/479133389.db2.gz QEVNKMIOEPYILR-HNNXBMFYSA-N 1 0 336.388 2.508 10 5 EFBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040572 479135341 /nfs/dbraw/zinc/13/53/41/479135341.db2.gz KEKZSSQNKSJIRD-AWEZNQCLSA-N 1 0 330.388 2.666 10 5 EFBERO O=[N+]([O-])c1cccc(-c2nc(CNCC34CC(C3)C[NH2+]4)cs2)c1 ZINC000596111579 479145534 /nfs/dbraw/zinc/14/55/34/479145534.db2.gz YVKYRTNJQPRKNM-UHFFFAOYSA-N 1 0 330.413 2.560 10 5 EFBERO CC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000599085077 479155706 /nfs/dbraw/zinc/15/57/06/479155706.db2.gz LIYGKTMSMZNPRS-AAEUAGOBSA-N 1 0 349.412 2.545 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCOC1 ZINC000593068772 479156287 /nfs/dbraw/zinc/15/62/87/479156287.db2.gz OXDFDMXOLBGZOG-OAHLLOKOSA-N 1 0 335.404 2.733 10 5 EFBERO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCC1 ZINC000599093689 479158679 /nfs/dbraw/zinc/15/86/79/479158679.db2.gz PVHWAWPRESYMQJ-IAGOWNOFSA-N 1 0 329.400 2.715 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593078117 479161094 /nfs/dbraw/zinc/16/10/94/479161094.db2.gz UQVWOEGZPGLQLX-CQSZACIVSA-N 1 0 329.404 2.968 10 5 EFBERO CO[C@@H]1C[C@H](c2nc(C)no2)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870462 479162942 /nfs/dbraw/zinc/16/29/42/479162942.db2.gz WQIPKJGZRAKYIF-QAOXIVLQSA-N 1 0 344.371 2.761 10 5 EFBERO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCCC1 ZINC000555980211 479168122 /nfs/dbraw/zinc/16/81/22/479168122.db2.gz NPWVHSLHTFALDB-AWEZNQCLSA-N 1 0 349.434 2.895 10 5 EFBERO COc1cc(NCC[NH+]2CCC(OC)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596160467 479171431 /nfs/dbraw/zinc/17/14/31/479171431.db2.gz WRYUWAAEKAJRTC-UHFFFAOYSA-N 1 0 343.811 2.780 10 5 EFBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000569791258 479176759 /nfs/dbraw/zinc/17/67/59/479176759.db2.gz HHIYIAIGCGSMRV-UHFFFAOYSA-N 1 0 342.399 2.517 10 5 EFBERO COc1ccc(CN2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000599139937 479177512 /nfs/dbraw/zinc/17/75/12/479177512.db2.gz PITABBMLZSMJMJ-ZDUSSCGKSA-N 1 0 346.362 2.824 10 5 EFBERO COc1ccc(CN2CC[C@H]2CNc2cccnc2[N+](=O)[O-])cc1 ZINC000599139332 479177822 /nfs/dbraw/zinc/17/78/22/479177822.db2.gz KICCOYDUEZYDSA-AWEZNQCLSA-N 1 0 328.372 2.685 10 5 EFBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000596179229 479182602 /nfs/dbraw/zinc/18/26/02/479182602.db2.gz OPOISLJWYVPQCP-RDJZCZTQSA-N 1 0 340.383 2.551 10 5 EFBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000596179231 479182920 /nfs/dbraw/zinc/18/29/20/479182920.db2.gz OPOISLJWYVPQCP-WBVHZDCISA-N 1 0 340.383 2.551 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CCO)CCOCC2)o1 ZINC000610771619 479184190 /nfs/dbraw/zinc/18/41/90/479184190.db2.gz DTBMTJPIRNLZQE-UHFFFAOYSA-N 1 0 346.383 2.876 10 5 EFBERO O=C(CC[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593116293 479184451 /nfs/dbraw/zinc/18/44/51/479184451.db2.gz HFYQZBXFACGHTG-CQSZACIVSA-N 1 0 325.315 2.655 10 5 EFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593118909 479187241 /nfs/dbraw/zinc/18/72/41/479187241.db2.gz SXHXRUPHYQCHQZ-OAHLLOKOSA-N 1 0 339.342 2.963 10 5 EFBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@H](C)[NH2+]1 ZINC000599180730 479198515 /nfs/dbraw/zinc/19/85/15/479198515.db2.gz YFTHTRWXLUBVNU-VHSXEESVSA-N 1 0 341.795 2.612 10 5 EFBERO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000599187304 479201100 /nfs/dbraw/zinc/20/11/00/479201100.db2.gz QWBJVXJJHDLIID-UHFFFAOYSA-N 1 0 333.432 2.984 10 5 EFBERO COC[C@@]1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599202537 479207076 /nfs/dbraw/zinc/20/70/76/479207076.db2.gz PWRLDSPWFSOLKZ-QGZVFWFLSA-N 1 0 331.372 2.693 10 5 EFBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599207378 479210160 /nfs/dbraw/zinc/21/01/60/479210160.db2.gz ULOTWUXZTFNZDV-MRXNPFEDSA-N 1 0 346.431 2.753 10 5 EFBERO COC(=O)c1c(Cl)c(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596237881 479217237 /nfs/dbraw/zinc/21/72/37/479217237.db2.gz JDJBKIROAWUHJI-VIFPVBQESA-N 1 0 329.784 2.644 10 5 EFBERO C[NH+]1CCC2(CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000596238902 479217958 /nfs/dbraw/zinc/21/79/58/479217958.db2.gz RCYWQHRCUUWHJC-UHFFFAOYSA-N 1 0 333.417 2.522 10 5 EFBERO COc1ccc(NC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593178147 479222353 /nfs/dbraw/zinc/22/23/53/479222353.db2.gz RFWJUDDDPXOMCJ-UHFFFAOYSA-N 1 0 338.408 2.703 10 5 EFBERO COc1cc(SC[C@@H]2CN(C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284566 479237766 /nfs/dbraw/zinc/23/77/66/479237766.db2.gz APEOOBMEOCMJHV-VIFPVBQESA-N 1 0 332.809 2.680 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000593203246 479238205 /nfs/dbraw/zinc/23/82/05/479238205.db2.gz IYELOPHPWVFXTB-UHFFFAOYSA-N 1 0 344.415 2.851 10 5 EFBERO CCNc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593204761 479239459 /nfs/dbraw/zinc/23/94/59/479239459.db2.gz LRCCUOCHFHUZCL-UHFFFAOYSA-N 1 0 336.436 2.734 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000596307360 479248501 /nfs/dbraw/zinc/24/85/01/479248501.db2.gz LGALREDHUZKYDA-GFCCVEGCSA-N 1 0 335.404 2.914 10 5 EFBERO Cc1cnc(NCC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596314494 479250177 /nfs/dbraw/zinc/25/01/77/479250177.db2.gz HPJDTSJQWVWHFI-UHFFFAOYSA-N 1 0 334.420 2.601 10 5 EFBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596362923 479265615 /nfs/dbraw/zinc/26/56/15/479265615.db2.gz FLEZMBSTJWTQSZ-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000596422580 479288583 /nfs/dbraw/zinc/28/85/83/479288583.db2.gz FRDROQBTTYLXAW-GOSISDBHSA-N 1 0 327.384 2.774 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593314030 479288884 /nfs/dbraw/zinc/28/88/84/479288884.db2.gz FFKRKGVRHXBWBK-CQSZACIVSA-N 1 0 336.436 2.933 10 5 EFBERO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000596424607 479289211 /nfs/dbraw/zinc/28/92/11/479289211.db2.gz UAQRPXRAMKIVGC-MRXNPFEDSA-N 1 0 345.374 2.913 10 5 EFBERO CCO[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000593317736 479290982 /nfs/dbraw/zinc/29/09/82/479290982.db2.gz VUFRGKTYMSQEOI-RDTXWAMCSA-N 1 0 345.399 2.650 10 5 EFBERO COC(=O)c1c(Cl)c(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430167 479292691 /nfs/dbraw/zinc/29/26/91/479292691.db2.gz JTDPZDXXONYOGG-SECBINFHSA-N 1 0 329.784 2.787 10 5 EFBERO COc1cncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599433894 479296757 /nfs/dbraw/zinc/29/67/57/479296757.db2.gz MDQLLNHCDCPHES-CQSZACIVSA-N 1 0 328.372 2.773 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180627 479305495 /nfs/dbraw/zinc/30/54/95/479305495.db2.gz MSZIMSNMRBKSEB-UHFFFAOYSA-N 1 0 339.342 2.963 10 5 EFBERO CC(C)C[N@H+](C)CCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000593422171 479334334 /nfs/dbraw/zinc/33/43/34/479334334.db2.gz DSQMQZYONXSRBJ-UHFFFAOYSA-N 1 0 336.436 2.714 10 5 EFBERO CCOc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596568240 479342390 /nfs/dbraw/zinc/34/23/90/479342390.db2.gz RFPIFIUVYZPEQY-HNNXBMFYSA-N 1 0 337.420 2.541 10 5 EFBERO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](CC)C1 ZINC000596580351 479346786 /nfs/dbraw/zinc/34/67/86/479346786.db2.gz WEFJKNPLOKLFQO-HNNXBMFYSA-N 1 0 334.420 2.529 10 5 EFBERO CC[NH+]1CCN([C@@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455954 479348178 /nfs/dbraw/zinc/34/81/78/479348178.db2.gz WDQPKVOQTPYHGM-AWEZNQCLSA-N 1 0 343.431 2.581 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599626485 479358764 /nfs/dbraw/zinc/35/87/64/479358764.db2.gz WXVYUXPJKLQDRG-PYERRIOISA-N 1 0 335.404 2.633 10 5 EFBERO O=[N+]([O-])c1ccsc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000611413641 479371519 /nfs/dbraw/zinc/37/15/19/479371519.db2.gz JMDPKEUDXKSMKW-ZDUSSCGKSA-N 1 0 325.434 2.738 10 5 EFBERO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012602 479384257 /nfs/dbraw/zinc/38/42/57/479384257.db2.gz JANOXCBMNFCJOO-CYBMUJFWSA-N 1 0 344.415 2.602 10 5 EFBERO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681566 479388835 /nfs/dbraw/zinc/38/88/35/479388835.db2.gz GHSATKVVGDNSOZ-HNNXBMFYSA-N 1 0 338.358 2.990 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501904 479397528 /nfs/dbraw/zinc/39/75/28/479397528.db2.gz KJKWSRVIVARUIF-WCQYABFASA-N 1 0 339.367 2.612 10 5 EFBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCCC1 ZINC000611525528 479405773 /nfs/dbraw/zinc/40/57/73/479405773.db2.gz JJAGLFQJDGERCJ-INIZCTEOSA-N 1 0 336.436 2.592 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593652888 479413614 /nfs/dbraw/zinc/41/36/14/479413614.db2.gz OJABFLDKNLKPJV-IBGZPJMESA-N 1 0 326.396 2.869 10 5 EFBERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000593669695 479418006 /nfs/dbraw/zinc/41/80/06/479418006.db2.gz BIGKLYCUDVRHLF-AOOOYVTPSA-N 1 0 349.774 2.862 10 5 EFBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694951 479425008 /nfs/dbraw/zinc/42/50/08/479425008.db2.gz UWYUUEQPZCTUFT-WRLNGNIRSA-N 1 0 339.395 2.974 10 5 EFBERO COc1cc(CN2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609637 479428848 /nfs/dbraw/zinc/42/88/48/479428848.db2.gz VZQLNPZBYNHIPI-LLVKDONJSA-N 1 0 346.330 2.816 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000603833350 479433555 /nfs/dbraw/zinc/43/35/55/479433555.db2.gz HKYHUGNDQLMXAG-CQSZACIVSA-N 1 0 328.372 2.643 10 5 EFBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000603833349 479433787 /nfs/dbraw/zinc/43/37/87/479433787.db2.gz HKYHUGNDQLMXAG-AWEZNQCLSA-N 1 0 328.372 2.643 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611644659 479436085 /nfs/dbraw/zinc/43/60/85/479436085.db2.gz RIWIEOPSWORFPT-UHFFFAOYSA-N 1 0 345.346 2.610 10 5 EFBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725875 479436059 /nfs/dbraw/zinc/43/60/59/479436059.db2.gz ZXXGADGGUOFSLW-MOPGFXCFSA-N 1 0 342.395 2.815 10 5 EFBERO C[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829009 479441736 /nfs/dbraw/zinc/44/17/36/479441736.db2.gz BBLMYDRDBXIZIM-UHFFFAOYSA-N 1 0 343.387 2.606 10 5 EFBERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830652 479443013 /nfs/dbraw/zinc/44/30/13/479443013.db2.gz WFBSMGJOTDPSCL-GFCCVEGCSA-N 1 0 345.403 2.995 10 5 EFBERO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832611 479444778 /nfs/dbraw/zinc/44/47/78/479444778.db2.gz GFLHOZGUPPKFMK-UHFFFAOYSA-N 1 0 345.403 2.949 10 5 EFBERO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[NH+](C)C ZINC000599833874 479444925 /nfs/dbraw/zinc/44/49/25/479444925.db2.gz BKKRQHMQHYPXQQ-NSHDSACASA-N 1 0 331.376 2.605 10 5 EFBERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833738 479444969 /nfs/dbraw/zinc/44/49/69/479444969.db2.gz XVRLOPIZQQZOEY-RYUDHWBXSA-N 1 0 343.387 2.699 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596843866 479452868 /nfs/dbraw/zinc/45/28/68/479452868.db2.gz LJISHIZQKPMXCU-GFCCVEGCSA-N 1 0 336.392 2.598 10 5 EFBERO O=[N+]([O-])c1ccc2ncnc(Nc3cnn(-c4cc[nH+]cc4)c3)c2c1 ZINC000611711620 479453863 /nfs/dbraw/zinc/45/38/63/479453863.db2.gz XZXITPSAJWJFIY-UHFFFAOYSA-N 1 0 333.311 2.862 10 5 EFBERO CCC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000588933649 479460767 /nfs/dbraw/zinc/46/07/67/479460767.db2.gz QINCZFKETIQBNI-UHFFFAOYSA-N 1 0 344.415 2.609 10 5 EFBERO C[C@H]1CC[N@H+](CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000575745029 479466797 /nfs/dbraw/zinc/46/67/97/479466797.db2.gz NFASBYVDJDEFGL-AWEZNQCLSA-N 1 0 349.434 2.753 10 5 EFBERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599928474 479474122 /nfs/dbraw/zinc/47/41/22/479474122.db2.gz LJEVQIBDTVZWLR-MRXNPFEDSA-N 1 0 344.415 2.553 10 5 EFBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599941235 479476453 /nfs/dbraw/zinc/47/64/53/479476453.db2.gz SUIFRBMTBGJLPN-UKRRQHHQSA-N 1 0 334.420 2.655 10 5 EFBERO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])s3)cn2)CC1 ZINC000604409303 479516333 /nfs/dbraw/zinc/51/63/33/479516333.db2.gz UENPNXQBYYGHFF-UHFFFAOYSA-N 1 0 347.444 2.805 10 5 EFBERO CC[NH+]1CCN(c2ccc(CNc3ccsc3[N+](=O)[O-])cn2)CC1 ZINC000604433441 479518191 /nfs/dbraw/zinc/51/81/91/479518191.db2.gz BPNVCFMTEYZHKJ-UHFFFAOYSA-N 1 0 347.444 2.805 10 5 EFBERO C[C@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000600123902 479528878 /nfs/dbraw/zinc/52/88/78/479528878.db2.gz JSOCTQQQEAONMD-QGZVFWFLSA-N 1 0 349.456 2.638 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000589506110 479535157 /nfs/dbraw/zinc/53/51/57/479535157.db2.gz VTEOPNJSRJSOEJ-CABCVRRESA-N 1 0 348.399 2.630 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000589506881 479535324 /nfs/dbraw/zinc/53/53/24/479535324.db2.gz YVFMBLVGPBOEFM-YOEHRIQHSA-N 1 0 336.388 2.675 10 5 EFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(F)(F)CC1 ZINC000594041849 479562936 /nfs/dbraw/zinc/56/29/36/479562936.db2.gz JUMCCWQKKWWVFC-LLVKDONJSA-N 1 0 329.347 2.560 10 5 EFBERO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045221 479564503 /nfs/dbraw/zinc/56/45/03/479564503.db2.gz UHVKGLXATKOMHA-ZBFHGGJFSA-N 1 0 338.404 2.920 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094792 479570494 /nfs/dbraw/zinc/57/04/94/479570494.db2.gz RXMRDQCOQWXPNC-SECBINFHSA-N 1 0 343.815 2.682 10 5 EFBERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095546 479571725 /nfs/dbraw/zinc/57/17/25/479571725.db2.gz YDNBDQXALMXEDE-VIFPVBQESA-N 1 0 343.815 2.682 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2COCCOC2)s1 ZINC000589938332 479583811 /nfs/dbraw/zinc/58/38/11/479583811.db2.gz MRUMWCOMOCOJJR-UHFFFAOYSA-N 1 0 334.397 2.828 10 5 EFBERO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597188279 479611960 /nfs/dbraw/zinc/61/19/60/479611960.db2.gz SIOHLUCSWURSDP-SFHVURJKSA-N 1 0 346.383 2.828 10 5 EFBERO CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000597215107 479624964 /nfs/dbraw/zinc/62/49/64/479624964.db2.gz WMKSONONOIIGIH-UHFFFAOYSA-N 1 0 329.356 2.519 10 5 EFBERO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000578880803 479626658 /nfs/dbraw/zinc/62/66/58/479626658.db2.gz LEUUGYCUCUSFNL-CJNGLKHVSA-N 1 0 348.399 2.847 10 5 EFBERO C[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612286223 479633055 /nfs/dbraw/zinc/63/30/55/479633055.db2.gz KKIHWHMIZVOTRZ-NSHDSACASA-N 1 0 343.836 2.551 10 5 EFBERO CCc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000590375502 479636198 /nfs/dbraw/zinc/63/61/98/479636198.db2.gz COMUCCACXDHJEI-UHFFFAOYSA-N 1 0 331.416 2.715 10 5 EFBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCO[C@H](C(C)C)C2)c1 ZINC000590384871 479637139 /nfs/dbraw/zinc/63/71/39/479637139.db2.gz GSOYYRIRBKBVTM-INIZCTEOSA-N 1 0 336.388 2.628 10 5 EFBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000590442473 479648478 /nfs/dbraw/zinc/64/84/78/479648478.db2.gz HEQWABBEYIZQLN-ZWNOBZJWSA-N 1 0 331.397 2.586 10 5 EFBERO COC(=O)c1c(Cl)c(N[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000590582825 479662913 /nfs/dbraw/zinc/66/29/13/479662913.db2.gz GETFFEKPFLFMDT-JTQLQIEISA-N 1 0 341.795 2.929 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000615883824 479777810 /nfs/dbraw/zinc/77/78/10/479777810.db2.gz IHKOTWOQOFZXAQ-UHFFFAOYSA-N 1 0 343.305 2.534 10 5 EFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610002476 480227006 /nfs/dbraw/zinc/22/70/06/480227006.db2.gz MQTYGCDJWDZRQL-MAUKXSAKSA-N 1 0 333.432 2.843 10 5 EFBERO CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CC[N@H+](C)C1 ZINC000617552296 480271981 /nfs/dbraw/zinc/27/19/81/480271981.db2.gz LAMYTXWLWXHRRE-HNNXBMFYSA-N 1 0 349.434 2.848 10 5 EFBERO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420512 480301408 /nfs/dbraw/zinc/30/14/08/480301408.db2.gz DMOGHUWAIDIKGW-GDBMZVCRSA-N 1 0 333.432 2.889 10 5 EFBERO COc1cc(C[NH2+]C[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610517682 480327673 /nfs/dbraw/zinc/32/76/73/480327673.db2.gz DDAIQSGXSDNXKD-GFCCVEGCSA-N 1 0 331.372 2.900 10 5 EFBERO CC(C)[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[NH2+]1 ZINC000621157729 480364978 /nfs/dbraw/zinc/36/49/78/480364978.db2.gz BDFJUOOGAZGZNH-GOSISDBHSA-N 1 0 349.434 2.751 10 5 EFBERO COc1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1O ZINC000610717468 480373106 /nfs/dbraw/zinc/37/31/06/480373106.db2.gz ZMXJPQSJVRQVDQ-MRXNPFEDSA-N 1 0 338.404 2.994 10 5 EFBERO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000175013289 533767982 /nfs/dbraw/zinc/76/79/82/533767982.db2.gz CCQYWXKHFYRSJA-CABCVRRESA-N 1 0 331.416 2.991 10 5 EFBERO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000188012027 533794012 /nfs/dbraw/zinc/79/40/12/533794012.db2.gz OSDJNNGVMHIGST-ZBEGNZNMSA-N 1 0 326.368 2.725 10 5 EFBERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230118 533794394 /nfs/dbraw/zinc/79/43/94/533794394.db2.gz NESYONRCNIJBOP-AAEUAGOBSA-N 1 0 325.384 2.657 10 5 EFBERO COC(=O)c1cc(NC2CC[NH+](CC3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000177814367 533889427 /nfs/dbraw/zinc/88/94/27/533889427.db2.gz SMKRLTYQQUHCTR-UHFFFAOYSA-N 1 0 347.415 2.976 10 5 EFBERO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000155325518 534188418 /nfs/dbraw/zinc/18/84/18/534188418.db2.gz SNQFRDMFPXUULG-YPMHNXCESA-N 1 0 337.445 2.775 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175061063 534332882 /nfs/dbraw/zinc/33/28/82/534332882.db2.gz JXIFFDRXGIZSRF-ZBFHGGJFSA-N 1 0 331.416 2.991 10 5 EFBERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223506 519872328 /nfs/dbraw/zinc/87/23/28/519872328.db2.gz KXWGTODOPYQAAT-TZMCWYRMSA-N 1 0 329.404 2.975 10 5 EFBERO CCN(CC)C(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058524341 520442789 /nfs/dbraw/zinc/44/27/89/520442789.db2.gz CPRORBGKCKEEIA-UHFFFAOYSA-N 1 0 349.431 2.554 10 5 EFBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000076484893 521712681 /nfs/dbraw/zinc/71/26/81/521712681.db2.gz XVBCXFBVPKDCOD-ZYHUDNBSSA-N 1 0 325.434 2.767 10 5 EFBERO COc1cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1O ZINC000077455753 522458346 /nfs/dbraw/zinc/45/83/46/522458346.db2.gz YIKOADWXQNGQFS-INIZCTEOSA-N 1 0 326.393 2.586 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706115 522715582 /nfs/dbraw/zinc/71/55/82/522715582.db2.gz GCIKUZPBDUEFKG-DLBZAZTESA-N 1 0 346.431 2.926 10 5 EFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000245935712 523483852 /nfs/dbraw/zinc/48/38/52/523483852.db2.gz KVQHICAIYHALSV-CVEARBPZSA-N 1 0 331.416 2.531 10 5 EFBERO CN(c1ccccc1)c1ccc(C[NH2+]C2(CO)CC2)cc1[N+](=O)[O-] ZINC000120365158 523655206 /nfs/dbraw/zinc/65/52/06/523655206.db2.gz SCGCNPIMZRVCEG-UHFFFAOYSA-N 1 0 327.384 2.977 10 5 EFBERO COCCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180234787 524010484 /nfs/dbraw/zinc/01/04/84/524010484.db2.gz IXIFDESQJGSVNA-SFHVURJKSA-N 1 0 330.384 2.937 10 5 EFBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246102718 524334965 /nfs/dbraw/zinc/33/49/65/524334965.db2.gz JIVZOBBLRKUKOZ-HIFRSBDPSA-N 1 0 331.416 2.829 10 5 EFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291207 534779385 /nfs/dbraw/zinc/77/93/85/534779385.db2.gz KVPRLUFDAXLQMO-INIZCTEOSA-N 1 0 330.388 2.643 10 5 EFBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261638281 524761329 /nfs/dbraw/zinc/76/13/29/524761329.db2.gz FLTZJSPEPFPYPF-KRWDZBQOSA-N 1 0 327.384 2.750 10 5 EFBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077323049 524906893 /nfs/dbraw/zinc/90/68/93/524906893.db2.gz SQLVUDFZNIPARD-UHFFFAOYSA-N 1 0 335.404 2.731 10 5 EFBERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153710372 525174348 /nfs/dbraw/zinc/17/43/48/525174348.db2.gz XQNUPNVHGACYJT-UHFFFAOYSA-N 1 0 332.404 2.995 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658903 525556789 /nfs/dbraw/zinc/55/67/89/525556789.db2.gz ZMZAXBQWCCQAFZ-DZGCQCFKSA-N 1 0 329.404 2.648 10 5 EFBERO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132978995 534879058 /nfs/dbraw/zinc/87/90/58/534879058.db2.gz ATVUZMGJHMTLHF-HZPDHXFCSA-N 1 0 337.395 2.914 10 5 EFBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152666380 525989850 /nfs/dbraw/zinc/98/98/50/525989850.db2.gz XHOYHIARSGKWEU-QWHCGFSZSA-N 1 0 337.445 2.581 10 5 EFBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154656420 526033192 /nfs/dbraw/zinc/03/31/92/526033192.db2.gz NIZHOWNXOMLXDV-XVGQJIODSA-N 1 0 342.395 2.952 10 5 EFBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178510862 526522510 /nfs/dbraw/zinc/52/25/10/526522510.db2.gz DCFNJIWEJDMFFY-ZDUSSCGKSA-N 1 0 336.388 2.637 10 5 EFBERO Cc1nc(C[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518233 526923377 /nfs/dbraw/zinc/92/33/77/526923377.db2.gz PIOTWPALZABBLS-OAHLLOKOSA-N 1 0 330.388 2.783 10 5 EFBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000143868969 527262422 /nfs/dbraw/zinc/26/24/22/527262422.db2.gz WGWWHOVDWWTLFU-UHFFFAOYSA-N 1 0 338.795 2.950 10 5 EFBERO O=[N+]([O-])c1ccc2oc(CN3CCC([NH+]4CCCC4)CC3)nc2c1 ZINC000083170787 527381263 /nfs/dbraw/zinc/38/12/63/527381263.db2.gz DABLUJVFOOPZMZ-UHFFFAOYSA-N 1 0 330.388 2.796 10 5 EFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000181889251 527404762 /nfs/dbraw/zinc/40/47/62/527404762.db2.gz PPXIOGPRNIJVAO-UONOGXRCSA-N 1 0 332.356 2.765 10 5 EFBERO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363154 528109848 /nfs/dbraw/zinc/10/98/48/528109848.db2.gz MCLIWDRVEOEQJA-SJORKVTESA-N 1 0 334.416 2.655 10 5 EFBERO CC[N@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000159388512 528607964 /nfs/dbraw/zinc/60/79/64/528607964.db2.gz YKEBTAHQDJSVSC-UHFFFAOYSA-N 1 0 349.412 2.982 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174533046 529066144 /nfs/dbraw/zinc/06/61/44/529066144.db2.gz DNGMJWUNMUJXKC-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174533503 529069078 /nfs/dbraw/zinc/06/90/78/529069078.db2.gz IVTKNYJVDHNNSA-GFCCVEGCSA-N 1 0 325.796 2.805 10 5 EFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174533516 529096692 /nfs/dbraw/zinc/09/66/92/529096692.db2.gz IVTKNYJVDHNNSA-LBPRGKRZSA-N 1 0 325.796 2.805 10 5 EFBERO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000425405105 535089053 /nfs/dbraw/zinc/08/90/53/535089053.db2.gz MZZYQLJFRUOSGH-SNVBAGLBSA-N 1 0 331.210 2.949 10 5 EFBERO CC1(C2CC2)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000352176617 535108414 /nfs/dbraw/zinc/10/84/14/535108414.db2.gz RNMIHBPEKINXSO-OAHLLOKOSA-N 1 0 334.416 2.847 10 5 EFBERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266211301 535450501 /nfs/dbraw/zinc/45/05/01/535450501.db2.gz JSTLBJDZEVGPPM-UHFFFAOYSA-N 1 0 344.415 2.928 10 5 EFBERO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000357000594 535898177 /nfs/dbraw/zinc/89/81/77/535898177.db2.gz WTCQAXHDOUIIGA-IIAWOOMASA-N 1 0 334.420 2.681 10 5 EFBERO COc1ccc(NC(=O)CC[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000411647095 536759040 /nfs/dbraw/zinc/75/90/40/536759040.db2.gz QSEWHBKGIQXILU-UHFFFAOYSA-N 1 0 333.388 2.951 10 5 EFBERO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000355791708 536770024 /nfs/dbraw/zinc/77/00/24/536770024.db2.gz XOUNYSRWFMPUQR-AGIUHOORSA-N 1 0 335.404 2.908 10 5 EFBERO CC(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000675057161 548198919 /nfs/dbraw/zinc/19/89/19/548198919.db2.gz WWGRBMXVJGSMOU-UHFFFAOYSA-N 1 0 342.237 2.883 10 5 EFBERO C[NH+]1CCC(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 ZINC000753985976 575370747 /nfs/dbraw/zinc/37/07/47/575370747.db2.gz TWSYSALGRVGNSO-UHFFFAOYSA-N 1 0 343.387 2.655 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000755009505 575529705 /nfs/dbraw/zinc/52/97/05/575529705.db2.gz CZIYGQCVAHMYIM-CCEZHUSRSA-N 1 0 331.416 2.990 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000755054842 575535441 /nfs/dbraw/zinc/53/54/41/575535441.db2.gz NMWQENNGDAHOEC-WEGGENQUSA-N 1 0 329.400 2.741 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000755188026 575558566 /nfs/dbraw/zinc/55/85/66/575558566.db2.gz FCZSQHUOXSHDSI-DNXIFWLFSA-N 1 0 331.416 2.845 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000755317751 575573694 /nfs/dbraw/zinc/57/36/94/575573694.db2.gz UBMXWHIEGXQFLI-OWBHPGMISA-N 1 0 331.416 2.798 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294606 576141932 /nfs/dbraw/zinc/14/19/32/576141932.db2.gz YFVNJAZXWGRXRH-CZUORRHYSA-N 1 0 330.388 2.711 10 5 EFBERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514938 576173700 /nfs/dbraw/zinc/17/37/00/576173700.db2.gz OGNVJKGWRUKKNO-TZMCWYRMSA-N 1 0 337.807 2.739 10 5 EFBERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844936 577082289 /nfs/dbraw/zinc/08/22/89/577082289.db2.gz LGVAVFHFHMAESP-PXAZEXFGSA-N 1 0 346.383 2.996 10 5 EFBERO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850344 577082904 /nfs/dbraw/zinc/08/29/04/577082904.db2.gz XLNGQOIDBDPLCQ-IAQYHMDHSA-N 1 0 330.340 2.708 10 5 EFBERO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850345 577082987 /nfs/dbraw/zinc/08/29/87/577082987.db2.gz XLNGQOIDBDPLCQ-NHYWBVRUSA-N 1 0 330.340 2.708 10 5 EFBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000765850377 577083046 /nfs/dbraw/zinc/08/30/46/577083046.db2.gz XXKRWAGXPQCMTM-IBGZPJMESA-N 1 0 341.411 2.887 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000768649712 577292079 /nfs/dbraw/zinc/29/20/79/577292079.db2.gz HMRXMIZILBQLQK-UHFFFAOYSA-N 1 0 346.836 2.553 10 5 EFBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000748281806 577417786 /nfs/dbraw/zinc/41/77/86/577417786.db2.gz HXEXPYFXVNTGCT-CQSZACIVSA-N 1 0 329.397 2.592 10 5 EFBERO C[NH+](C)C1CC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000773492068 581436810 /nfs/dbraw/zinc/43/68/10/581436810.db2.gz KXIZSMDEKHDAJJ-UHFFFAOYSA-N 1 0 343.836 2.549 10 5 EFBERO CC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691038998 1248036648 /nfs/dbraw/zinc/03/66/48/1248036648.db2.gz UHOVVHOIEKALSD-UHFFFAOYSA-N 1 0 331.416 2.889 10 5 EFBERO CC[N@H+](CCNC(=O)C1(CF)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001691040855 1248038765 /nfs/dbraw/zinc/03/87/65/1248038765.db2.gz UNMXEXYRLYBNOP-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO CCC[NH+]1CCC(NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785058023 1248284189 /nfs/dbraw/zinc/28/41/89/1248284189.db2.gz NCTGCEOSCRFAQJ-BUHFOSPRSA-N 1 0 331.416 2.989 10 5 EFBERO CCC[NH+]1CCC(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785058024 1248284511 /nfs/dbraw/zinc/28/45/11/1248284511.db2.gz NCTGCEOSCRFAQJ-YPKPFQOOSA-N 1 0 331.416 2.989 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1O ZINC001273274440 1265467650 /nfs/dbraw/zinc/46/76/50/1265467650.db2.gz MNQPXFXXYUBZRG-UHFFFAOYSA-N 1 0 343.383 2.552 10 5 EFBERO CCC[N@H+](CCNC(=O)c1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691193766 1248522716 /nfs/dbraw/zinc/52/27/16/1248522716.db2.gz FESNLTBGWYAKLX-UHFFFAOYSA-N 1 0 348.428 2.693 10 5 EFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850494261 1250506976 /nfs/dbraw/zinc/50/69/76/1250506976.db2.gz ZVKYCZNCJYALSO-ZQJOYCHOSA-N 1 0 338.351 2.865 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000850519729 1250523816 /nfs/dbraw/zinc/52/38/16/1250523816.db2.gz OZEHTAZXRJGWDP-OAHLLOKOSA-N 1 0 341.358 2.577 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCC(O)CC3)CC2)cc1 ZINC000850554298 1250533360 /nfs/dbraw/zinc/53/33/60/1250533360.db2.gz ITFQPAIMFVBSST-UHFFFAOYSA-N 1 0 333.432 2.704 10 5 EFBERO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850567271 1250538762 /nfs/dbraw/zinc/53/87/62/1250538762.db2.gz ZKXKHZZLVDHSNO-JTQLQIEISA-N 1 0 329.347 2.768 10 5 EFBERO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000851715491 1251218023 /nfs/dbraw/zinc/21/80/23/1251218023.db2.gz WJYXBQIWZXBTGE-AWEZNQCLSA-N 1 0 346.320 2.611 10 5 EFBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001493553763 1252181788 /nfs/dbraw/zinc/18/17/88/1252181788.db2.gz FDPBRBXWTYINHX-UHFFFAOYSA-N 1 0 345.374 2.904 10 5 EFBERO CC/C(C)=C\C(=O)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001484406480 1252534900 /nfs/dbraw/zinc/53/49/00/1252534900.db2.gz QEIYNXLQKAIRFH-GPYPFEAASA-N 1 0 349.456 2.903 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccco1 ZINC001484762629 1252892047 /nfs/dbraw/zinc/89/20/47/1252892047.db2.gz JMKMRFDHFNABRC-UHFFFAOYSA-N 1 0 345.399 2.711 10 5 EFBERO Cc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000922421731 1265979243 /nfs/dbraw/zinc/97/92/43/1265979243.db2.gz KVHJEFDMGGNGCD-UHFFFAOYSA-N 1 0 340.445 2.596 10 5 EFBERO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001168570844 1257746993 /nfs/dbraw/zinc/74/69/93/1257746993.db2.gz TYLGSICCHPTWIW-CQSZACIVSA-N 1 0 346.387 2.940 10 5 EFBERO C[C@@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000922557330 1266253828 /nfs/dbraw/zinc/25/38/28/1266253828.db2.gz OEHUDWNIUGSRKS-IAQYHMDHSA-N 1 0 332.429 2.901 10 5 EFBERO O=[N+]([O-])c1ccc(Br)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000923399393 1261609584 /nfs/dbraw/zinc/60/95/84/1261609584.db2.gz PDAIGUSBNCXZLI-ZDUSSCGKSA-N 1 0 340.221 2.732 10 5 EFBERO [NH3+]CCN(Cc1cccc(Cl)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923427929 1261635504 /nfs/dbraw/zinc/63/55/04/1261635504.db2.gz MJMHGMNBZCDQEF-KRWDZBQOSA-N 1 0 349.818 2.743 10 5 EFBERO [NH3+]C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923427727 1261635610 /nfs/dbraw/zinc/63/56/10/1261635610.db2.gz VCJRMAVNHXDWDQ-KSSFIOAISA-N 1 0 327.384 2.581 10 5 EFBERO [NH3+]C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923427726 1261635685 /nfs/dbraw/zinc/63/56/85/1261635685.db2.gz VCJRMAVNHXDWDQ-KDOFPFPSSA-N 1 0 327.384 2.581 10 5 EFBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923493140 1261777112 /nfs/dbraw/zinc/77/71/12/1261777112.db2.gz DUFYIVFCOBLOSV-JQWIXIFHSA-N 1 0 342.237 2.774 10 5 EFBERO [NH3+]CC[C@@H]1Cc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923546530 1261884052 /nfs/dbraw/zinc/88/40/52/1261884052.db2.gz VRGAYJPANLHVCS-KUHUBIRLSA-N 1 0 341.411 2.656 10 5 EFBERO Cn1ccc(-c2nc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000921939762 1263602913 /nfs/dbraw/zinc/60/29/13/1263602913.db2.gz GRTCROYQLQYVFO-UHFFFAOYSA-N 1 0 343.412 2.784 10 5 EFBERO COc1ccc(C[NH2+]CCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000730106659 1264185713 /nfs/dbraw/zinc/18/57/13/1264185713.db2.gz GBYUQIKXYCDBHD-UHFFFAOYSA-N 1 0 327.384 2.756 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001273256921 1265014941 /nfs/dbraw/zinc/01/49/41/1265014941.db2.gz YRBYTTOSQMUNIA-UHFFFAOYSA-N 1 0 339.442 2.970 10 5 EFBERO CCO[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000922757949 1266743236 /nfs/dbraw/zinc/74/32/36/1266743236.db2.gz XXUBDKIDRCZJFY-OAHLLOKOSA-N 1 0 347.415 2.911 10 5 EFBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000734552740 1267015450 /nfs/dbraw/zinc/01/54/50/1267015450.db2.gz NJFRSHLFPXEMOI-LLVKDONJSA-N 1 0 325.796 2.662 10 5 EFBERO CCc1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000825078900 1278406337 /nfs/dbraw/zinc/40/63/37/1278406337.db2.gz FCTKVPWSLZNDNB-UHFFFAOYSA-N 1 0 330.388 2.904 10 5 EFBERO COC(=O)/C=C\c1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000742571990 1270115796 /nfs/dbraw/zinc/11/57/96/1270115796.db2.gz JWCOMNCXLJYGDF-ZQMJAJRESA-N 1 0 347.415 2.923 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000843875420 1278626775 /nfs/dbraw/zinc/62/67/75/1278626775.db2.gz JZHNXVMDUHADPF-UHFFFAOYSA-N 1 0 335.379 2.789 10 5 EFBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000844403608 1278953674 /nfs/dbraw/zinc/95/36/74/1278953674.db2.gz HOXSVIXTXJFKNC-ZDUSSCGKSA-N 1 0 339.367 2.563 10 5 EFBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608610 1276223987 /nfs/dbraw/zinc/22/39/87/1276223987.db2.gz GWKTUMHCYJNFKY-QWRGUYRKSA-N 1 0 331.420 2.809 10 5 EFBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788802044 1276317308 /nfs/dbraw/zinc/31/73/08/1276317308.db2.gz NRYMLDNUQQKDCY-BLLLJJGKSA-N 1 0 342.399 2.705 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000817908669 1276370836 /nfs/dbraw/zinc/37/08/36/1276370836.db2.gz HIDAOCKGQJAQEG-AWEZNQCLSA-N 1 0 339.823 2.985 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000788981824 1276427574 /nfs/dbraw/zinc/42/75/74/1276427574.db2.gz MROCXCDJZRNSQM-JKOKRWQUSA-N 1 0 332.322 2.819 10 5 EFBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000788981827 1276427675 /nfs/dbraw/zinc/42/76/75/1276427675.db2.gz MROCXCDJZRNSQM-SUHUHFCYSA-N 1 0 332.322 2.819 10 5 EFBERO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819046823 1276580063 /nfs/dbraw/zinc/58/00/63/1276580063.db2.gz UIDIKZQJDPPWCW-INIZCTEOSA-N 1 0 336.775 2.950 10 5 EFBERO COc1cccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819058704 1276584856 /nfs/dbraw/zinc/58/48/56/1276584856.db2.gz GHGOPDXVXAXBOW-UGSOOPFHSA-N 1 0 330.384 2.858 10 5 EFBERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013611 1276587705 /nfs/dbraw/zinc/58/77/05/1276587705.db2.gz DUJIFSHONSMQON-IRXDYDNUSA-N 1 0 328.368 2.968 10 5 EFBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819211885 1276690727 /nfs/dbraw/zinc/69/07/27/1276690727.db2.gz GGTYNUMSTXUENM-OAHLLOKOSA-N 1 0 339.754 2.648 10 5 EFBERO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819261477 1276716818 /nfs/dbraw/zinc/71/68/18/1276716818.db2.gz KQLCHPMJKXTAJR-QAPCUYQASA-N 1 0 344.415 2.553 10 5 EFBERO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2)cc1 ZINC000789538965 1276793962 /nfs/dbraw/zinc/79/39/62/1276793962.db2.gz CUXUWGNLWMMTCM-GOSISDBHSA-N 1 0 342.399 2.918 10 5 EFBERO C/C(=C/C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000819718881 1276892881 /nfs/dbraw/zinc/89/28/81/1276892881.db2.gz JTQPFFKUHXTNIX-GDKQZQJFSA-N 1 0 329.400 2.551 10 5 EFBERO O=C(CC[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000844471063 1279025611 /nfs/dbraw/zinc/02/56/11/1279025611.db2.gz NKRVSEFJISAIAL-AWEZNQCLSA-N 1 0 343.305 2.794 10 5 EFBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763653 1287275450 /nfs/dbraw/zinc/27/54/50/1287275450.db2.gz NDNNXXTVCCZHCY-UONOGXRCSA-N 1 0 338.795 2.949 10 5 EFBERO C[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923288678 1277501349 /nfs/dbraw/zinc/50/13/49/1277501349.db2.gz ZHHGMLFRZMFWOH-UHFFFAOYSA-N 1 0 328.210 2.541 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)CC(C)C)c1F ZINC000844655327 1279140006 /nfs/dbraw/zinc/14/00/06/1279140006.db2.gz VJBUFLLAHUVXIO-UHFFFAOYSA-N 1 0 325.384 2.750 10 5 EFBERO COCC[N@H+]1[C@H](C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000845579517 1279726989 /nfs/dbraw/zinc/72/69/89/1279726989.db2.gz UJPRPIXTIIQFQT-OKILXGFUSA-N 1 0 344.415 2.688 10 5 EFBERO CN(CC1CC[NH+](C)CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001144519975 1279762668 /nfs/dbraw/zinc/76/26/68/1279762668.db2.gz NQXYZPWDMVXGBY-UHFFFAOYSA-N 1 0 325.796 2.662 10 5 EFBERO CCON(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000846063137 1280016307 /nfs/dbraw/zinc/01/63/07/1280016307.db2.gz SQPMSNIWUJCJAQ-UHFFFAOYSA-N 1 0 349.412 2.823 10 5 EFBERO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846216661 1280072482 /nfs/dbraw/zinc/07/24/82/1280072482.db2.gz SSPAOECXGMEKDM-IAQYHMDHSA-N 1 0 342.399 2.604 10 5 EFBERO CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017815 1287400464 /nfs/dbraw/zinc/40/04/64/1287400464.db2.gz FHYSWOTYYNFRBZ-KBPBESRZSA-N 1 0 339.411 2.741 10 5 EFBERO Cc1ncsc1CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323339 1287401102 /nfs/dbraw/zinc/40/11/02/1287401102.db2.gz LRYPFGPQOSHQTI-MRXNPFEDSA-N 1 0 335.429 2.790 10 5 EFBERO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1c(F)cccc1[N+](=O)[O-] ZINC000872018467 1287401728 /nfs/dbraw/zinc/40/17/28/1287401728.db2.gz LTQJFCHEJBIKQU-LLVKDONJSA-N 1 0 329.335 2.670 10 5 EFBERO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872020884 1287402627 /nfs/dbraw/zinc/40/26/27/1287402627.db2.gz MDQOIKOYZYGQBY-LBPRGKRZSA-N 1 0 347.394 2.945 10 5 EFBERO O=C(NCc1ccc2c[nH+]cn2c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001129553740 1280249916 /nfs/dbraw/zinc/24/99/16/1280249916.db2.gz HXOYYGPXDATOJP-UHFFFAOYSA-N 1 0 346.293 2.651 10 5 EFBERO Nc1cc(NC2CCC([NH+]3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804538714 1280278746 /nfs/dbraw/zinc/27/87/46/1280278746.db2.gz UEIATIVYUSSVHV-UHFFFAOYSA-N 1 0 348.447 2.878 10 5 EFBERO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048602 1287411683 /nfs/dbraw/zinc/41/16/83/1287411683.db2.gz KFKLBCUNMPWULF-QJPTWQEYSA-N 1 0 344.408 2.740 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846614396 1280319952 /nfs/dbraw/zinc/31/99/52/1280319952.db2.gz NJFGTRNDGZWBEK-PFONDFGASA-N 1 0 331.416 2.942 10 5 EFBERO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872062685 1287416397 /nfs/dbraw/zinc/41/63/97/1287416397.db2.gz JEIXSMMYBLXQDR-SNVBAGLBSA-N 1 0 336.392 2.929 10 5 EFBERO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080212 1287422850 /nfs/dbraw/zinc/42/28/50/1287422850.db2.gz OTWJBAHIUXHJQA-GFCCVEGCSA-N 1 0 340.395 2.952 10 5 EFBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872108471 1287430519 /nfs/dbraw/zinc/43/05/19/1287430519.db2.gz ZPCBTRMIWYKVIN-DOMZBBRYSA-N 1 0 335.404 2.717 10 5 EFBERO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC001175490570 1287438009 /nfs/dbraw/zinc/43/80/09/1287438009.db2.gz DQXLJVRBIWVVAT-UHFFFAOYSA-N 1 0 343.387 2.865 10 5 EFBERO CC(=O)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000846950220 1280654028 /nfs/dbraw/zinc/65/40/28/1280654028.db2.gz NATRRSIBNWGIGI-UHFFFAOYSA-N 1 0 333.388 2.533 10 5 EFBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000846988512 1280675520 /nfs/dbraw/zinc/67/55/20/1280675520.db2.gz MHVQWFVVXVZMKD-GRNBYLDVSA-N 1 0 331.416 2.941 10 5 EFBERO Cc1cc(Cc2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000872174886 1287461940 /nfs/dbraw/zinc/46/19/40/1287461940.db2.gz GWIZKMGEFLMOKD-VUDGCMKMSA-N 1 0 328.372 2.890 10 5 EFBERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001137931383 1280979342 /nfs/dbraw/zinc/97/93/42/1280979342.db2.gz PBWHLCOIMJWNJL-RYUDHWBXSA-N 1 0 339.823 2.732 10 5 EFBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000872224093 1287485454 /nfs/dbraw/zinc/48/54/54/1287485454.db2.gz UUOXQOLSVGWMLZ-SJORKVTESA-N 1 0 334.416 2.957 10 5 EFBERO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231387 1287488425 /nfs/dbraw/zinc/48/84/25/1287488425.db2.gz JPYBWWGLHAXNGA-MRXNPFEDSA-N 1 0 330.384 2.741 10 5 EFBERO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231776 1287488479 /nfs/dbraw/zinc/48/84/79/1287488479.db2.gz RMMHHUJMGOLEHQ-CQSZACIVSA-N 1 0 334.347 2.572 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001170548975 1281664148 /nfs/dbraw/zinc/66/41/48/1281664148.db2.gz UAAVSPNUWFABAY-INIZCTEOSA-N 1 0 339.395 2.560 10 5 EFBERO C[C@@H](O)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000809792068 1282490168 /nfs/dbraw/zinc/49/01/68/1282490168.db2.gz GQMMGKOTEDPGSQ-SNVBAGLBSA-N 1 0 346.412 2.918 10 5 EFBERO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000810006004 1282753172 /nfs/dbraw/zinc/75/31/72/1282753172.db2.gz FDYKUPHLHZACFP-IPMKNSEASA-N 1 0 341.411 2.663 10 5 EFBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601195 1287626294 /nfs/dbraw/zinc/62/62/94/1287626294.db2.gz PWJDYPVACZMJJJ-NSHDSACASA-N 1 0 331.420 2.811 10 5 EFBERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574499 1287629553 /nfs/dbraw/zinc/62/95/53/1287629553.db2.gz RWACAUIPNPWCJR-NSHDSACASA-N 1 0 333.392 2.967 10 5 EFBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000810537976 1283360968 /nfs/dbraw/zinc/36/09/68/1283360968.db2.gz PEZOVHBQJAEFJJ-OAHLLOKOSA-N 1 0 327.331 2.885 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C2CC2)CC1 ZINC001273441861 1284073753 /nfs/dbraw/zinc/07/37/53/1284073753.db2.gz WWLOBVDRHLAWOH-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO C[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176051088 1287686719 /nfs/dbraw/zinc/68/67/19/1287686719.db2.gz BNRLVGODLVKIGC-ZDUSSCGKSA-N 1 0 347.415 2.597 10 5 EFBERO COC(=O)/C=C/c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000811859118 1284700475 /nfs/dbraw/zinc/70/04/75/1284700475.db2.gz NUCPTBXYNPOOSH-BUUCAEBMSA-N 1 0 335.404 2.922 10 5 EFBERO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747828704 1285553106 /nfs/dbraw/zinc/55/31/06/1285553106.db2.gz HPGFWKCZLQXIGS-HUUCEWRRSA-N 1 0 330.388 2.651 10 5 EFBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831284 1285578754 /nfs/dbraw/zinc/57/87/54/1285578754.db2.gz LVICILGUUVPLQV-CABCVRRESA-N 1 0 344.415 2.959 10 5 EFBERO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000814172866 1286357302 /nfs/dbraw/zinc/35/73/02/1286357302.db2.gz CACIHXJYYVIUKV-QLPKVWCKSA-N 1 0 342.351 2.706 10 5 EFBERO Nc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635032 1289074842 /nfs/dbraw/zinc/07/48/42/1289074842.db2.gz OAUBTKLUXOUGDG-XDTLVQLUSA-N 1 0 329.360 2.820 10 5 EFBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134555991 1286911661 /nfs/dbraw/zinc/91/16/61/1286911661.db2.gz KBKFJYXAYHIPDL-CYBMUJFWSA-N 1 0 342.399 2.544 10 5 EFBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC001176965207 1288197374 /nfs/dbraw/zinc/19/73/74/1288197374.db2.gz JJAQDOKQJCZFBU-OAHLLOKOSA-N 1 0 335.360 2.942 10 5 EFBERO O=C(NCCC[NH+]1CCCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001135670098 1288252711 /nfs/dbraw/zinc/25/27/11/1288252711.db2.gz MAXVVCRWWJOVJC-UHFFFAOYSA-N 1 0 343.786 2.993 10 5 EFBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000824634880 1289734008 /nfs/dbraw/zinc/73/40/08/1289734008.db2.gz CJUGNNJGESJZSQ-GXFFZTMASA-N 1 0 343.221 2.950 10 5 EFBERO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc2ccccn21 ZINC001185555721 1290707078 /nfs/dbraw/zinc/70/70/78/1290707078.db2.gz XGCHTPVHXNPICN-AWEZNQCLSA-N 1 0 329.404 2.919 10 5 EFBERO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c(F)c1 ZINC001187870832 1291257914 /nfs/dbraw/zinc/25/79/14/1291257914.db2.gz FWXROHRKTZPLHL-UHFFFAOYSA-N 1 0 337.395 2.551 10 5 EFBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(F)F ZINC001273597796 1292081755 /nfs/dbraw/zinc/08/17/55/1292081755.db2.gz QWIAQOJJNVNGED-UHFFFAOYSA-N 1 0 329.347 2.578 10 5 EFBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001192313274 1292863627 /nfs/dbraw/zinc/86/36/27/1292863627.db2.gz CCMYGQAWKVOFBV-GHMZBOCLSA-N 1 0 342.237 2.882 10 5 EFBERO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000775547810 1293051234 /nfs/dbraw/zinc/05/12/34/1293051234.db2.gz DSVASAMQMRZEIN-HZPDHXFCSA-N 1 0 332.404 2.739 10 5 EFBERO O=C(CC1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691698870 1293058453 /nfs/dbraw/zinc/05/84/53/1293058453.db2.gz ZSUHIHMTXBSDDA-FZNQNYSPSA-N 1 0 331.416 2.769 10 5 EFBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000882055618 1293085670 /nfs/dbraw/zinc/08/56/70/1293085670.db2.gz RBYGJVVWPLQKHS-UHFFFAOYSA-N 1 0 349.431 2.735 10 5 EFBERO COC1([C@H](C)[NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC001195196401 1293843807 /nfs/dbraw/zinc/84/38/07/1293843807.db2.gz SFSFMSQKRCHJSR-NSHDSACASA-N 1 0 332.360 2.692 10 5 EFBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C(F)F)CC1 ZINC001273729500 1294380249 /nfs/dbraw/zinc/38/02/49/1294380249.db2.gz SZLISYDFIIJDQF-UHFFFAOYSA-N 1 0 341.358 2.721 10 5 EFBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334231 1294867726 /nfs/dbraw/zinc/86/77/26/1294867726.db2.gz SMAVHQASOBOTFU-FJXWQQLRSA-N 1 0 332.400 2.924 10 5 EFBERO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001198791557 1295231773 /nfs/dbraw/zinc/23/17/73/1295231773.db2.gz WLXXBWGUMVNQDR-NVXWUHKLSA-N 1 0 330.388 2.862 10 5 EFBERO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887095415 1295275560 /nfs/dbraw/zinc/27/55/60/1295275560.db2.gz LFZUBYGVIYAXGK-INIZCTEOSA-N 1 0 344.367 2.531 10 5 EFBERO O=C(/C=C/c1ccco1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273804824 1295919356 /nfs/dbraw/zinc/91/93/56/1295919356.db2.gz KVRINSKVQSHAMY-LLGXEZKASA-N 1 0 341.367 2.663 10 5 EFBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1occc1Cl ZINC001274338835 1296069821 /nfs/dbraw/zinc/06/98/21/1296069821.db2.gz IUUAEMRZCXUXCI-ARJAWSKDSA-N 1 0 349.774 2.917 10 5 EFBERO O=C(Cc1ccsc1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001273823291 1296125178 /nfs/dbraw/zinc/12/51/78/1296125178.db2.gz PKBPGANRVNHYAG-UPHRSURJSA-N 1 0 345.424 2.661 10 5 EFBERO Cc1cncc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001275930568 1296457417 /nfs/dbraw/zinc/45/74/17/1296457417.db2.gz OPOMODGBSREEAL-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO COc1ccc(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000803856210 1313259151 /nfs/dbraw/zinc/25/91/51/1313259151.db2.gz MVAJZZUNXMWWOX-AWEZNQCLSA-N 1 0 336.388 2.911 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001280787656 1296646023 /nfs/dbraw/zinc/64/60/23/1296646023.db2.gz OJLVFVWWFPOOBT-UHFFFAOYSA-N 1 0 331.372 2.782 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927051786 1296983131 /nfs/dbraw/zinc/98/31/31/1296983131.db2.gz JFNDUCIZUOSFOP-KUDNYVPYSA-N 1 0 336.388 2.937 10 5 EFBERO CC(C)(F)C(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001490362076 1298850816 /nfs/dbraw/zinc/85/08/16/1298850816.db2.gz QYJWRTROWYPJPF-UHFFFAOYSA-N 1 0 337.395 2.814 10 5 EFBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC001490362914 1298854814 /nfs/dbraw/zinc/85/48/14/1298854814.db2.gz CTEILMATSPVRNS-UHFFFAOYSA-N 1 0 343.383 2.972 10 5 EFBERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851951619 1299482193 /nfs/dbraw/zinc/48/21/93/1299482193.db2.gz ZFPRNDZYJAZGHU-AAEUAGOBSA-N 1 0 339.367 2.690 10 5 EFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000852086963 1299542770 /nfs/dbraw/zinc/54/27/70/1299542770.db2.gz YNLAYWHOICTEEL-MAUKXSAKSA-N 1 0 327.384 2.903 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000852561619 1299757687 /nfs/dbraw/zinc/75/76/87/1299757687.db2.gz QOFGCRVXXCTLEA-HOCLYGCPSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000852563368 1299759103 /nfs/dbraw/zinc/75/91/03/1299759103.db2.gz RPRIVMFEAOTNMR-XJKSGUPXSA-N 1 0 332.379 2.968 10 5 EFBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000852563366 1299759454 /nfs/dbraw/zinc/75/94/54/1299759454.db2.gz RPRIVMFEAOTNMR-CJNGLKHVSA-N 1 0 332.379 2.968 10 5 EFBERO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1Br ZINC000852581544 1299769225 /nfs/dbraw/zinc/76/92/25/1299769225.db2.gz LJOXIZNJOPTRFP-RYUDHWBXSA-N 1 0 341.205 2.750 10 5 EFBERO Cc1nn(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853542851 1300158067 /nfs/dbraw/zinc/15/80/67/1300158067.db2.gz JPPVVHFLGIOQOP-CALCHBBNSA-N 1 0 330.388 2.569 10 5 EFBERO C[NH+](C)CCC[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000853990177 1300378850 /nfs/dbraw/zinc/37/88/50/1300378850.db2.gz JTJHSDZXWJJORK-LLVKDONJSA-N 1 0 345.802 2.934 10 5 EFBERO CCC(=O)c1ccc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853990732 1300379019 /nfs/dbraw/zinc/37/90/19/1300379019.db2.gz UFPUJMQBAIRJGM-OAHLLOKOSA-N 1 0 349.431 2.735 10 5 EFBERO CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490761 1300978048 /nfs/dbraw/zinc/97/80/48/1300978048.db2.gz LARFXCXIWURHPJ-CQSZACIVSA-N 1 0 341.358 2.629 10 5 EFBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826015 1301589841 /nfs/dbraw/zinc/58/98/41/1301589841.db2.gz UHOXXMCAQVKDES-VGAUDOQQSA-N 1 0 341.795 2.588 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862141179 1302295300 /nfs/dbraw/zinc/29/53/00/1302295300.db2.gz IDZTWVXHKCRSOS-XBXGTLAGSA-N 1 0 327.384 2.818 10 5 EFBERO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862221035 1302310722 /nfs/dbraw/zinc/31/07/22/1302310722.db2.gz QBDSGBDOEMVICJ-AWEZNQCLSA-N 1 0 327.384 2.962 10 5 EFBERO O=[N+]([O-])c1cn(CN2CC[C@H]3CC[C@@H](C2)S3)nc1-c1ccncc1 ZINC000863295327 1302578748 /nfs/dbraw/zinc/57/87/48/1302578748.db2.gz XPBJZEHIOANUPF-KGLIPLIRSA-N 1 0 345.428 2.781 10 5 EFBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)c1 ZINC000863295594 1302580577 /nfs/dbraw/zinc/58/05/77/1302580577.db2.gz ZYKHONXVTIGCEE-CABCVRRESA-N 1 0 345.428 2.781 10 5 EFBERO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000863481539 1302628390 /nfs/dbraw/zinc/62/83/90/1302628390.db2.gz GTHYPUPFYQOZLT-CYBMUJFWSA-N 1 0 340.221 2.732 10 5 EFBERO C[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000865021530 1303124146 /nfs/dbraw/zinc/12/41/46/1303124146.db2.gz GVFUIQSPDVUBDW-UHFFFAOYSA-N 1 0 337.395 2.657 10 5 EFBERO COc1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1[N+](=O)[O-] ZINC000865812282 1303413413 /nfs/dbraw/zinc/41/34/13/1303413413.db2.gz MJPCIPSNDWWSMG-UHFFFAOYSA-N 1 0 340.383 2.822 10 5 EFBERO CC(C)c1ccc(CNc2cc3n(n2)CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000865844289 1303426055 /nfs/dbraw/zinc/42/60/55/1303426055.db2.gz HXEQAZSQFFKDTM-UHFFFAOYSA-N 1 0 329.404 2.972 10 5 EFBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000865998509 1303482929 /nfs/dbraw/zinc/48/29/29/1303482929.db2.gz KYERRKJQMJPBHI-NSHDSACASA-N 1 0 347.337 2.871 10 5 EFBERO CCC1([NH+](C)C)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000866060708 1303507843 /nfs/dbraw/zinc/50/78/43/1303507843.db2.gz HTGVWJSDXGHTDY-UHFFFAOYSA-N 1 0 325.384 2.537 10 5 EFBERO C[NH+]1CCC2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000866076159 1303515340 /nfs/dbraw/zinc/51/53/40/1303515340.db2.gz KEQZAWXEGRYFSC-UHFFFAOYSA-N 1 0 332.404 2.935 10 5 EFBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@@H]21 ZINC000866208856 1303563820 /nfs/dbraw/zinc/56/38/20/1303563820.db2.gz OZBHALXOJMAWPP-PWSUYJOCSA-N 1 0 327.331 2.727 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866209638 1303564077 /nfs/dbraw/zinc/56/40/77/1303564077.db2.gz SSBYXARNHALLSY-JQWIXIFHSA-N 1 0 340.221 2.888 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208362 1303564084 /nfs/dbraw/zinc/56/40/84/1303564084.db2.gz UCGKHVNGYPCHLL-CMPLNLGQSA-N 1 0 340.221 2.888 10 5 EFBERO O=[N+]([O-])c1cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866724282 1303767026 /nfs/dbraw/zinc/76/70/26/1303767026.db2.gz MRAPOYFECHVAKP-QWHCGFSZSA-N 1 0 340.221 2.684 10 5 EFBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000867989993 1304062097 /nfs/dbraw/zinc/06/20/97/1304062097.db2.gz RMBYKQDESDCVIU-KRWDZBQOSA-N 1 0 341.367 2.799 10 5 EFBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868342060 1304253217 /nfs/dbraw/zinc/25/32/17/1304253217.db2.gz VJXQDJUUKDITBQ-IMJJTQAJSA-N 1 0 346.431 2.700 10 5 EFBERO Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000868430157 1304292334 /nfs/dbraw/zinc/29/23/34/1304292334.db2.gz MSBZZWPNSAFJBE-UHFFFAOYSA-N 1 0 348.447 2.823 10 5 EFBERO Cc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000868716791 1304438597 /nfs/dbraw/zinc/43/85/97/1304438597.db2.gz ILLFEPVHHLLAFY-UHFFFAOYSA-N 1 0 334.420 2.575 10 5 EFBERO Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000868755521 1304457607 /nfs/dbraw/zinc/45/76/07/1304457607.db2.gz ISGCIHGUODFPHS-JKSUJKDBSA-N 1 0 346.431 2.719 10 5 EFBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053148 1304591554 /nfs/dbraw/zinc/59/15/54/1304591554.db2.gz IVXIYOLWPFOEHT-INIZCTEOSA-N 1 0 348.447 2.777 10 5 EFBERO Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000869055751 1304593793 /nfs/dbraw/zinc/59/37/93/1304593793.db2.gz WQLRXUDGQXDKIB-ZBFHGGJFSA-N 1 0 346.431 2.671 10 5 EFBERO C[N@@H+]1CC[C@@H](CCOC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870456976 1305332841 /nfs/dbraw/zinc/33/28/41/1305332841.db2.gz DFHKQPLINNTYRO-AWEZNQCLSA-N 1 0 332.400 2.902 10 5 EFBERO O=C(CCC12CC(C1)C[NH2+]2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000870909745 1305676280 /nfs/dbraw/zinc/67/62/80/1305676280.db2.gz AJJDSFZGZBRZPC-UHFFFAOYSA-N 1 0 329.400 2.618 10 5 EFBERO Cc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000870962060 1305713420 /nfs/dbraw/zinc/71/34/20/1305713420.db2.gz LOJAUAQPSLPZBS-UHFFFAOYSA-N 1 0 339.395 2.521 10 5 EFBERO C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000871156278 1305849622 /nfs/dbraw/zinc/84/96/22/1305849622.db2.gz VADMHSYKYKSSOZ-LBPRGKRZSA-N 1 0 337.395 2.780 10 5 EFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156383 1305849766 /nfs/dbraw/zinc/84/97/66/1305849766.db2.gz YSCAREBJZAKLBT-BUHFOSPRSA-N 1 0 331.416 2.941 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156384 1305850723 /nfs/dbraw/zinc/85/07/23/1305850723.db2.gz YSCAREBJZAKLBT-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO C[NH+](C)C1(C)CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000871358842 1306019273 /nfs/dbraw/zinc/01/92/73/1306019273.db2.gz IYOIRSGMDSOYON-UHFFFAOYSA-N 1 0 333.432 2.907 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000748775824 1314127075 /nfs/dbraw/zinc/12/70/75/1314127075.db2.gz ZQBXWVXUCPXRCF-UHFFFAOYSA-N 1 0 348.447 2.513 10 5 EFBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC000901317382 1310129051 /nfs/dbraw/zinc/12/90/51/1310129051.db2.gz JCIVNMVGQUCPET-GJZGRUSLSA-N 1 0 329.400 2.809 10 5 EFBERO O=[N+]([O-])c1cc2c(cc1-c1cc(C[C@@H]3CCC[NH2+]C3)on1)OCO2 ZINC000901398666 1310341010 /nfs/dbraw/zinc/34/10/10/1310341010.db2.gz YDJRADUIXIFOHO-JTQLQIEISA-N 1 0 331.328 2.521 10 5 EFBERO O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCCC1 ZINC000801516980 1310432437 /nfs/dbraw/zinc/43/24/37/1310432437.db2.gz HKOOKOZLRPCRPZ-AWEZNQCLSA-N 1 0 335.379 2.568 10 5 EFBERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801544977 1310496089 /nfs/dbraw/zinc/49/60/89/1310496089.db2.gz XIMOEPNAJJUZEM-AAEUAGOBSA-N 1 0 339.367 2.690 10 5 EFBERO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751672722 1311130582 /nfs/dbraw/zinc/13/05/82/1311130582.db2.gz IFPWAJBXRZKLEY-IPJDOKCGSA-N 1 0 331.416 2.845 10 5 EFBERO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751672723 1311130719 /nfs/dbraw/zinc/13/07/19/1311130719.db2.gz IFPWAJBXRZKLEY-LTBFUDJGSA-N 1 0 331.416 2.845 10 5 EFBERO C/C(=C\C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752123863 1311146124 /nfs/dbraw/zinc/14/61/24/1311146124.db2.gz QJCFKGOUTOLXKW-QSOAKEGCSA-N 1 0 329.400 2.599 10 5 EFBERO C/C(=C/C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752388333 1311154394 /nfs/dbraw/zinc/15/43/94/1311154394.db2.gz FSORGPCSDDZIOD-QKXCFHHRSA-N 1 0 331.416 2.798 10 5 EFBERO O=C(CC(F)(F)F)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001276946250 1311342737 /nfs/dbraw/zinc/34/27/37/1311342737.db2.gz HSNZYXILQNDAGN-HAQNSBGRSA-N 1 0 345.321 2.532 10 5 EFBERO C/C(=C/C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000802135621 1311381633 /nfs/dbraw/zinc/38/16/33/1311381633.db2.gz ZSUJNANCMBXFAH-QXSWTLKVSA-N 1 0 348.399 2.651 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cccs1 ZINC001276997920 1311436476 /nfs/dbraw/zinc/43/64/76/1311436476.db2.gz UZCFGPUQLJHCEP-UHFFFAOYSA-N 1 0 331.397 2.709 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccoc1Cl ZINC001277042593 1311521651 /nfs/dbraw/zinc/52/16/51/1311521651.db2.gz CHOJYGVPIQREAD-UHFFFAOYSA-N 1 0 349.774 2.893 10 5 EFBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001160160864 1311656942 /nfs/dbraw/zinc/65/69/42/1311656942.db2.gz SDYQUZYAMGLPDD-DOTOQJQBSA-N 1 0 333.432 2.716 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001230515622 1312251413 /nfs/dbraw/zinc/25/14/13/1312251413.db2.gz WRZWCLKIFYDPOC-IXDOHACOSA-N 1 0 346.431 2.924 10 5 EFBERO CC[C@@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001230515623 1312251491 /nfs/dbraw/zinc/25/14/91/1312251491.db2.gz WRZWCLKIFYDPOC-ZACQAIPSSA-N 1 0 346.431 2.924 10 5 EFBERO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1(C)C ZINC001163571325 1312340225 /nfs/dbraw/zinc/34/02/25/1312340225.db2.gz JYYPHMVLXICDKY-JKSUJKDBSA-N 1 0 346.431 2.628 10 5 EFBERO COc1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1OC ZINC001163721675 1312371971 /nfs/dbraw/zinc/37/19/71/1312371971.db2.gz NFRIBGYNTVXRHI-JKSUJKDBSA-N 1 0 335.404 2.897 10 5 EFBERO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163900998 1312404950 /nfs/dbraw/zinc/40/49/50/1312404950.db2.gz HNGCGBVAASTMCJ-XJKSGUPXSA-N 1 0 341.415 2.873 10 5 EFBERO C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC001163926056 1312408718 /nfs/dbraw/zinc/40/87/18/1312408718.db2.gz YWLRZBWPZXREJW-BSDKJSHOSA-N 1 0 331.416 2.797 10 5 EFBERO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001164155027 1312458388 /nfs/dbraw/zinc/45/83/88/1312458388.db2.gz JHUPVEDQMIVVCV-UHFFFAOYSA-N 1 0 339.823 2.735 10 5 EFBERO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164176774 1312462340 /nfs/dbraw/zinc/46/23/40/1312462340.db2.gz FRTLRRMVBIFLIF-LBPRGKRZSA-N 1 0 343.343 2.613 10 5 EFBERO CC[N@H+](C)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001164400607 1312509005 /nfs/dbraw/zinc/50/90/05/1312509005.db2.gz GDAJCCDDZPHZMA-JTQLQIEISA-N 1 0 341.795 2.565 10 5 EFBERO NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000903260261 1312515584 /nfs/dbraw/zinc/51/55/84/1312515584.db2.gz MZVYYRGLJJFFPG-QFXNTCPOSA-N 1 0 331.416 2.550 10 5 EFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CCC2 ZINC000903348209 1312587596 /nfs/dbraw/zinc/58/75/96/1312587596.db2.gz WZDVTOLRZFCHRT-QGZVFWFLSA-N 1 0 346.427 2.884 10 5 EFBERO CC[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903350711 1312590257 /nfs/dbraw/zinc/59/02/57/1312590257.db2.gz XZNFWAVPVNWDAC-MRXNPFEDSA-N 1 0 334.416 2.957 10 5 EFBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000903357356 1312595176 /nfs/dbraw/zinc/59/51/76/1312595176.db2.gz LQXKJIGGZMJKQS-DYVFJYSZSA-N 1 0 338.404 2.838 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](CCF)C1 ZINC001261655407 1316423198 /nfs/dbraw/zinc/42/31/98/1316423198.db2.gz VSEGNBKPUNCFPD-RHSMWYFYSA-N 1 0 349.406 2.940 10 5 EFBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262376999 1316464841 /nfs/dbraw/zinc/46/48/41/1316464841.db2.gz JCKRQRUMTVJJLD-RRFJBIMHSA-N 1 0 331.416 2.964 10 5 EFBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccc[nH]1 ZINC001318613298 1328653184 /nfs/dbraw/zinc/65/31/84/1328653184.db2.gz LFKMMDBVANVOIW-UHFFFAOYSA-N 1 0 342.399 2.755 10 5 EFBERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001265245529 1316764200 /nfs/dbraw/zinc/76/42/00/1316764200.db2.gz NUUOIPPJLWFVMZ-JKSUJKDBSA-N 1 0 349.350 2.918 10 5 EFBERO Cc1ccoc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001280465679 1317574945 /nfs/dbraw/zinc/57/49/45/1317574945.db2.gz NMIABSWHUFEKCZ-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001318814129 1328708887 /nfs/dbraw/zinc/70/88/87/1328708887.db2.gz ORGOWFXQDLTABE-HIFRSBDPSA-N 1 0 346.431 2.724 10 5 EFBERO O=C(C1CC1)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001318858681 1328724980 /nfs/dbraw/zinc/72/49/80/1328724980.db2.gz DALODAJQTWQPCU-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(F)F ZINC001282280254 1318823377 /nfs/dbraw/zinc/82/33/77/1318823377.db2.gz MKZOUAMPYTVLNO-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001290242067 1321890367 /nfs/dbraw/zinc/89/03/67/1321890367.db2.gz UOPNFKLDOSLVEY-CQSZACIVSA-N 1 0 349.431 2.988 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001290713224 1321944458 /nfs/dbraw/zinc/94/44/58/1321944458.db2.gz XSLLMZKVVXICKU-UHFFFAOYSA-N 1 0 333.432 2.921 10 5 EFBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001293327168 1322230234 /nfs/dbraw/zinc/23/02/34/1322230234.db2.gz CFMLZJGJNCXIMS-LLVKDONJSA-N 1 0 343.786 2.992 10 5 EFBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001294266465 1322441556 /nfs/dbraw/zinc/44/15/56/1322441556.db2.gz XRAPIINWTZVZBP-UHFFFAOYSA-N 1 0 346.431 2.704 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001295041365 1322623304 /nfs/dbraw/zinc/62/33/04/1322623304.db2.gz INWWCZDBTQBSRD-ZDUSSCGKSA-N 1 0 337.395 2.750 10 5 EFBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001296125530 1322856189 /nfs/dbraw/zinc/85/61/89/1322856189.db2.gz BVKXEULVJIPZOX-ZDUSSCGKSA-N 1 0 325.796 2.851 10 5 EFBERO CCOc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320208713 1329104598 /nfs/dbraw/zinc/10/45/98/1329104598.db2.gz ZKQKZWHYZGXFQH-ZDUSSCGKSA-N 1 0 344.371 2.853 10 5 EFBERO C[N@H+](CCNC(=O)c1cc(F)ccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001492280205 1324397816 /nfs/dbraw/zinc/39/78/16/1324397816.db2.gz SCDJFZULRAYVKE-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC[NH+](C)C)C2)cc1Cl ZINC001303479267 1324608186 /nfs/dbraw/zinc/60/81/86/1324608186.db2.gz WMYRNXLNVJDZCZ-LBPRGKRZSA-N 1 0 339.823 2.970 10 5 EFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001303540496 1324610150 /nfs/dbraw/zinc/61/01/50/1324610150.db2.gz REXHRNHUWDGPEU-AWEZNQCLSA-N 1 0 331.416 2.992 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043841 1324634044 /nfs/dbraw/zinc/63/40/44/1324634044.db2.gz ZQYPBTCJARMAOE-XHDPSFHLSA-N 1 0 337.395 2.684 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC001304042548 1324634188 /nfs/dbraw/zinc/63/41/88/1324634188.db2.gz JVKFONOAEVEPQG-CQSZACIVSA-N 1 0 330.388 2.536 10 5 EFBERO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043839 1324634263 /nfs/dbraw/zinc/63/42/63/1324634263.db2.gz ZQYPBTCJARMAOE-IAQYHMDHSA-N 1 0 337.395 2.684 10 5 EFBERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840678 1324723782 /nfs/dbraw/zinc/72/37/82/1324723782.db2.gz TZZSTUQBXAYTHV-ABAIWWIYSA-N 1 0 346.387 2.750 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](CC)CC2)cc1C ZINC001306958158 1324734895 /nfs/dbraw/zinc/73/48/95/1324734895.db2.gz ITOADXDBYVKQBE-UHFFFAOYSA-N 1 0 335.404 2.612 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)cc1C ZINC001306970177 1324735897 /nfs/dbraw/zinc/73/58/97/1324735897.db2.gz LDHSXRXFQLHZFF-UHFFFAOYSA-N 1 0 347.415 2.754 10 5 EFBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@H+](CC)[C@@H](C)C2)cc1C ZINC001307071090 1324738383 /nfs/dbraw/zinc/73/83/83/1324738383.db2.gz APGZCIGNDYHKGK-ZDUSSCGKSA-N 1 0 335.404 2.610 10 5 EFBERO C[C@H]([C@H](C)O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001307454383 1324769353 /nfs/dbraw/zinc/76/93/53/1324769353.db2.gz SKZOVLSHEPTBGA-MNOVXSKESA-N 1 0 347.337 2.505 10 5 EFBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001307893617 1324785137 /nfs/dbraw/zinc/78/51/37/1324785137.db2.gz UJAGMMCZQSZXHD-KZNAEPCWSA-N 1 0 342.399 2.786 10 5 EFBERO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001308026060 1324790121 /nfs/dbraw/zinc/79/01/21/1324790121.db2.gz HSBZDBRLRSEUDP-CQSZACIVSA-N 1 0 343.387 2.553 10 5 EFBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001308168618 1324798208 /nfs/dbraw/zinc/79/82/08/1324798208.db2.gz LKQGDBGQGNJNTP-MZMPZRCHSA-N 1 0 347.415 2.813 10 5 EFBERO CC[C@@H](NC(=O)N1CC[N@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312315439 1324983543 /nfs/dbraw/zinc/98/35/43/1324983543.db2.gz ZODPEIWJARHHOH-XJKSGUPXSA-N 1 0 334.420 2.782 10 5 EFBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cc[nH]c1 ZINC001316916906 1325344689 /nfs/dbraw/zinc/34/46/89/1325344689.db2.gz WGTHPEPYINZMCI-UHFFFAOYSA-N 1 0 342.399 2.707 10 5 EFBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(CF)CCC1 ZINC001320845446 1329309412 /nfs/dbraw/zinc/30/94/12/1329309412.db2.gz APCWNFAOQPJBCK-UHFFFAOYSA-N 1 0 337.395 2.673 10 5 EFBERO CC1(C)CC(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001321043271 1329335726 /nfs/dbraw/zinc/33/57/26/1329335726.db2.gz CQUBGLYAACQQKO-ARJAWSKDSA-N 1 0 331.416 2.793 10 5 EFBERO CCC(=O)NCc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001317364634 1327901866 /nfs/dbraw/zinc/90/18/66/1327901866.db2.gz BTBMMIJVRQTTLO-UHFFFAOYSA-N 1 0 341.411 2.953 10 5 EFBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(F)(F)F ZINC001317652370 1328239320 /nfs/dbraw/zinc/23/93/20/1328239320.db2.gz KLPCHSBRNWHPRG-UHFFFAOYSA-N 1 0 347.337 2.731 10 5 EFBERO Cc1coc(C)c1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323434303 1329543012 /nfs/dbraw/zinc/54/30/12/1329543012.db2.gz ALNUOGRJSZSINY-UHFFFAOYSA-N 1 0 343.383 2.857 10 5 EFBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001326246628 1329741686 /nfs/dbraw/zinc/74/16/86/1329741686.db2.gz YQGKWJDKUFFJDH-GXTWGEPZSA-N 1 0 325.796 2.724 10 5 EFBERO C/C(=C/C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571747 1330319366 /nfs/dbraw/zinc/31/93/66/1330319366.db2.gz AQUXSOQUPYHNNW-XFNCEPBJSA-N 1 0 343.427 2.941 10 5 EFBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326808731 1330367694 /nfs/dbraw/zinc/36/76/94/1330367694.db2.gz HLJZFSCNOSKNNY-UHFFFAOYSA-N 1 0 349.431 2.538 10 5 EFBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001329348371 1330697382 /nfs/dbraw/zinc/69/73/82/1330697382.db2.gz FARIKJIHEAGRQE-BDAKNGLRSA-N 1 0 335.330 2.632 10 5 EFBERO C[N@@H+]1CC[C@H]2CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001329748435 1330733182 /nfs/dbraw/zinc/73/31/82/1330733182.db2.gz KGFFUJNMDIAPTP-HZMBPMFUSA-N 1 0 347.806 2.722 10 5 EFBERO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC001331531874 1330848992 /nfs/dbraw/zinc/84/89/92/1330848992.db2.gz IOJOUXITVYRFAC-GFCCVEGCSA-N 1 0 331.372 2.900 10 5 EFBERO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001331579978 1330855925 /nfs/dbraw/zinc/85/59/25/1330855925.db2.gz BXGDMZBOTUGKSG-UHFFFAOYSA-N 1 0 343.383 2.955 10 5 EFBERO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[N@H+](C)C1CC1 ZINC001331865461 1330882913 /nfs/dbraw/zinc/88/29/13/1330882913.db2.gz GINMGHRJLYSTNE-LBPRGKRZSA-N 1 0 327.384 2.961 10 5 EFBERO CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]1 ZINC001332688421 1331001814 /nfs/dbraw/zinc/00/18/14/1331001814.db2.gz IXECCTUFSOHMQN-UHFFFAOYSA-N 1 0 344.415 2.906 10 5 EFBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340992773 1332225690 /nfs/dbraw/zinc/22/56/90/1332225690.db2.gz VZNBBKQVWKYUMA-KBRIMQKVSA-N 1 0 331.416 2.689 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001344932687 1332495782 /nfs/dbraw/zinc/49/57/82/1332495782.db2.gz VLIQSRTXSDIJRX-HNNXBMFYSA-N 1 0 348.399 2.622 10 5 EFBERO CC[C@H](C[N+](=O)[O-])OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001346198205 1332610497 /nfs/dbraw/zinc/61/04/97/1332610497.db2.gz SXTQWJYQKHYRCJ-MRXNPFEDSA-N 1 0 334.416 2.887 10 5 EFBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001346868033 1332698748 /nfs/dbraw/zinc/69/87/48/1332698748.db2.gz KREWIQJLXBBPFU-VMXABPDPSA-N 1 0 339.342 2.945 10 5 EFBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001347662486 1332764404 /nfs/dbraw/zinc/76/44/04/1332764404.db2.gz WXCIVLZBIZPZFU-ZDUSSCGKSA-N 1 0 336.436 2.511 10 5 EFBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001347718227 1332768692 /nfs/dbraw/zinc/76/86/92/1332768692.db2.gz YFPQUGGHMVZCKF-HZSPNIEDSA-N 1 0 332.404 2.673 10 5 EFBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001348738247 1332864278 /nfs/dbraw/zinc/86/42/78/1332864278.db2.gz VCAOEIAUEGVDCC-UHFFFAOYSA-N 1 0 348.447 2.654 10 5 EFBERO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001349859993 1333006055 /nfs/dbraw/zinc/00/60/55/1333006055.db2.gz PBVVQAOWSOSXET-NWDGAFQWSA-N 1 0 336.392 2.550 10 5 EFBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+](CCC2)C3)c1C ZINC001350110823 1333036320 /nfs/dbraw/zinc/03/63/20/1333036320.db2.gz FTIJDAXDKQOADB-UHFFFAOYSA-N 1 0 331.416 2.817 10 5 EFBERO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@@H]2C1 ZINC001350245708 1333053315 /nfs/dbraw/zinc/05/33/15/1333053315.db2.gz KPKVQIVOZCZDOC-YVEFUNNKSA-N 1 0 340.383 2.916 10 5 EFBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001350740818 1333124340 /nfs/dbraw/zinc/12/43/40/1333124340.db2.gz JNPVTIPWGSOQAS-UHFFFAOYSA-N 1 0 347.459 2.964 10 5 EFBERO COc1c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC001352035316 1333361510 /nfs/dbraw/zinc/36/15/10/1333361510.db2.gz PVFOWOAAOHOKRJ-UHFFFAOYSA-N 1 0 347.415 2.551 10 5 EFBERO CC(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001352097210 1333385319 /nfs/dbraw/zinc/38/53/19/1333385319.db2.gz BJQWKKNPGPQINK-JYJNAYRXSA-N 1 0 331.416 2.964 10 5 EFBERO C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001352968921 1333836898 /nfs/dbraw/zinc/83/68/98/1333836898.db2.gz KIAXRIUUDYVAPO-GKLJAUDBSA-N 1 0 331.416 2.892 10 5 EFBERO CC1(C)CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848482395 1334738515 /nfs/dbraw/zinc/73/85/15/1334738515.db2.gz OMOVBVJAQVMMOG-OAHLLOKOSA-N 1 0 349.456 2.696 10 5 EFBERO CC[C@@]1(C)CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848482992 1334739526 /nfs/dbraw/zinc/73/95/26/1334739526.db2.gz XARIXBHHIQRXFX-AEFFLSMTSA-N 1 0 331.416 2.990 10 5 EFBERO CSC[C@@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482659 1334740104 /nfs/dbraw/zinc/74/01/04/1334740104.db2.gz SRMMWVJXTIWZLD-HOTGVXAUSA-N 1 0 349.456 2.696 10 5 EFBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000848482671 1334740158 /nfs/dbraw/zinc/74/01/58/1334740158.db2.gz SSYGXKHNZDQUDB-YOEHRIQHSA-N 1 0 342.399 2.917 10 5 EFBERO C[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C ZINC000848483560 1334741052 /nfs/dbraw/zinc/74/10/52/1334741052.db2.gz JWGPCIVQOWUJFY-KEYYUXOJSA-N 1 0 331.416 2.846 10 5 EFBERO C[C@H]1CSCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485843 1334742366 /nfs/dbraw/zinc/74/23/66/1334742366.db2.gz YTLWWNNWBFKUKL-CJNGLKHVSA-N 1 0 349.456 2.553 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000848487004 1334742969 /nfs/dbraw/zinc/74/29/69/1334742969.db2.gz PDHXXZUZUSVSOM-FUHWJXTLSA-N 1 0 343.427 2.990 10 5 EFBERO CC(C)[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000848488126 1334744487 /nfs/dbraw/zinc/74/44/87/1334744487.db2.gz BHUAGBLVJBAJTJ-OAHLLOKOSA-N 1 0 330.388 2.915 10 5 EFBERO C[C@H]1[C@@H](C)[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848489095 1334745444 /nfs/dbraw/zinc/74/54/44/1334745444.db2.gz PZYBNLSACXAENN-VMUDFCTBSA-N 1 0 331.416 2.845 10 5 EFBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000848489647 1334746402 /nfs/dbraw/zinc/74/64/02/1334746402.db2.gz WYYNPFIOHWEXQO-SOLBZPMBSA-N 1 0 343.427 2.990 10 5 EFBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578724 1334805958 /nfs/dbraw/zinc/80/59/58/1334805958.db2.gz ZSDLRTHVYPXIJG-MZTACXPWSA-N 1 0 331.372 2.571 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC001437360840 1387580729 /nfs/dbraw/zinc/58/07/29/1387580729.db2.gz HOZPRZZGRBCPFY-UHFFFAOYSA-N 1 0 325.384 2.750 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC2CC[NH+](C(C)C)CC2)n1 ZINC001438122341 1388365399 /nfs/dbraw/zinc/36/53/99/1388365399.db2.gz ITRJWBAOPRRVGL-UHFFFAOYSA-N 1 0 334.420 2.539 10 5 EFBERO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001440586986 1389760260 /nfs/dbraw/zinc/76/02/60/1389760260.db2.gz CYBJOJUBVKICPI-OAHLLOKOSA-N 1 0 331.347 2.767 10 5 EFBERO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001440586985 1389760292 /nfs/dbraw/zinc/76/02/92/1389760292.db2.gz CYBJOJUBVKICPI-HNNXBMFYSA-N 1 0 331.347 2.767 10 5 EFBERO Cc1cc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001454576732 1393062873 /nfs/dbraw/zinc/06/28/73/1393062873.db2.gz JODRQAPCWDKBEI-QGZVFWFLSA-N 1 0 339.395 2.560 10 5 EFBERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001457038730 1394935232 /nfs/dbraw/zinc/93/52/32/1394935232.db2.gz NLFAKETUQFQWHZ-QWRGUYRKSA-N 1 0 325.796 2.851 10 5 EFBERO CC[N@H+](CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])C(C)C ZINC001458161567 1395417918 /nfs/dbraw/zinc/41/79/18/1395417918.db2.gz JVQCZYCDWIIEBT-UHFFFAOYSA-N 1 0 332.404 2.716 10 5 EFBERO C[N@H+](CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C1CCCC1 ZINC001458165264 1395418766 /nfs/dbraw/zinc/41/87/66/1395418766.db2.gz HFTQPMHQUNQMGU-UHFFFAOYSA-N 1 0 332.379 2.990 10 5 EFBERO CC[C@H](CO)[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001458218975 1395426362 /nfs/dbraw/zinc/42/63/62/1395426362.db2.gz LHXVGVBPPFTVJI-LLVKDONJSA-N 1 0 347.337 2.507 10 5 EFBERO CN(C)CC[N@H+](C)CCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458411716 1395462459 /nfs/dbraw/zinc/46/24/59/1395462459.db2.gz BRXCEVCYFNAEIP-UHFFFAOYSA-N 1 0 348.369 2.909 10 5 EFBERO CCc1cc(NC(=O)CC[NH2+]C(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001458424893 1395464732 /nfs/dbraw/zinc/46/47/32/1395464732.db2.gz YJRSSSUWTCABAO-UHFFFAOYSA-N 1 0 344.415 2.844 10 5 EFBERO Cn1cc([N+](=O)[O-])c(NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC001458470275 1395475137 /nfs/dbraw/zinc/47/51/37/1395475137.db2.gz UGDMANLGKGJTPB-GFCCVEGCSA-N 1 0 337.811 2.739 10 5 EFBERO O=[N+]([O-])c1ncccc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001458466433 1395475498 /nfs/dbraw/zinc/47/54/98/1395475498.db2.gz BPELEVSSVPORLV-UHFFFAOYSA-N 1 0 335.367 2.865 10 5 EFBERO C[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460128214 1396006207 /nfs/dbraw/zinc/00/62/07/1396006207.db2.gz INHKBKQUGZZIIP-WMZOPIPTSA-N 1 0 347.459 2.743 10 5 EFBERO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001460620113 1396238271 /nfs/dbraw/zinc/23/82/71/1396238271.db2.gz DQCOPYDWQWSYJI-BONVTDFDSA-N 1 0 326.780 2.879 10 5 EFBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC001462242356 1396428683 /nfs/dbraw/zinc/42/86/83/1396428683.db2.gz IONZOVBXZPQPCL-HNNXBMFYSA-N 1 0 346.431 2.825 10 5 EFBERO CC(C)C[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001465767443 1396710355 /nfs/dbraw/zinc/71/03/55/1396710355.db2.gz MSWIEDSNZDCZDA-UHFFFAOYSA-N 1 0 345.443 2.848 10 5 EFBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001466716542 1396776827 /nfs/dbraw/zinc/77/68/27/1396776827.db2.gz KGZMIBAKHJXLLI-OAHLLOKOSA-N 1 0 333.432 2.861 10 5 EFBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1(C)C ZINC001469333472 1397025050 /nfs/dbraw/zinc/02/50/50/1397025050.db2.gz SLRXDRSDTDSASG-KGLIPLIRSA-N 1 0 330.388 2.535 10 5 EFBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001471236703 1397152530 /nfs/dbraw/zinc/15/25/30/1397152530.db2.gz WDOUSUOVAPPUBQ-HNNXBMFYSA-N 1 0 346.431 2.704 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001472350301 1397256479 /nfs/dbraw/zinc/25/64/79/1397256479.db2.gz USRKQHWCIQHIMD-IHRRRGAJSA-N 1 0 349.406 2.845 10 5 EFBERO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001473325005 1397295629 /nfs/dbraw/zinc/29/56/29/1397295629.db2.gz NDUPBDWLYLPROQ-NSHDSACASA-N 1 0 332.360 2.550 10 5 EFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ncco2)CC1 ZINC001473703345 1397323276 /nfs/dbraw/zinc/32/32/76/1397323276.db2.gz IXHFKJUZHPORMS-LBPRGKRZSA-N 1 0 344.371 2.789 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001478367644 1397576954 /nfs/dbraw/zinc/57/69/54/1397576954.db2.gz JUACUNRPHAGEGV-CVEARBPZSA-N 1 0 334.420 2.782 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H]([N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001478367645 1397577698 /nfs/dbraw/zinc/57/76/98/1397577698.db2.gz JUACUNRPHAGEGV-HOTGVXAUSA-N 1 0 334.420 2.782 10 5 EFBERO C/C(=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479353473 1397701543 /nfs/dbraw/zinc/70/15/43/1397701543.db2.gz HQMPPQJJSJKDDU-JOOMYZJBSA-N 1 0 343.427 2.936 10 5 EFBERO CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C3)CCC1 ZINC001479761222 1397823650 /nfs/dbraw/zinc/82/36/50/1397823650.db2.gz ZMEPHWKNQHGMMH-UHFFFAOYSA-N 1 0 343.427 2.819 10 5 EFBERO CC[N@H+](CCCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479831797 1397927085 /nfs/dbraw/zinc/92/70/85/1397927085.db2.gz QSWPMDIVFAVTCP-UHFFFAOYSA-N 1 0 342.399 2.632 10 5 EFBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480152296 1398128723 /nfs/dbraw/zinc/12/87/23/1398128723.db2.gz RNUSNNXZBKTPAI-JOIZTSGUSA-N 1 0 329.400 2.854 10 5 EFBERO CCC[N@H+](CCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001493269909 1398576728 /nfs/dbraw/zinc/57/67/28/1398576728.db2.gz MEYRGWCEQYGOBR-UHFFFAOYSA-N 1 0 331.372 2.830 10 5 EFBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1F ZINC001493778498 1398879010 /nfs/dbraw/zinc/87/90/10/1398879010.db2.gz ABROYFJRSFWSAY-UHFFFAOYSA-N 1 0 349.337 2.735 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001497341525 1401315307 /nfs/dbraw/zinc/31/53/07/1401315307.db2.gz OHWNAMITVWPYDF-WAYWQWQTSA-N 1 0 349.412 2.901 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)/C=C(/C)C1CC1 ZINC001497359769 1401325932 /nfs/dbraw/zinc/32/59/32/1401325932.db2.gz TUWDGKHKRFHMCE-WQLSENKSSA-N 1 0 337.445 2.951 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(C)co1 ZINC001497439647 1401375300 /nfs/dbraw/zinc/37/53/00/1401375300.db2.gz SQTSUXRCNBLUST-UHFFFAOYSA-N 1 0 337.401 2.810 10 5 EFBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccnc1C ZINC001497442037 1401376817 /nfs/dbraw/zinc/37/68/17/1401376817.db2.gz OHRUGSJUWJFDON-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO Cc1cccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001497521669 1401433957 /nfs/dbraw/zinc/43/39/57/1401433957.db2.gz OUEVLLZCBSVMAE-IHWYPQMZSA-N 1 0 339.395 2.979 10 5 EFBERO C/C(=C/C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534401 1401441226 /nfs/dbraw/zinc/44/12/26/1401441226.db2.gz ATKVFXXVRCOQMC-SYJYLZRKSA-N 1 0 329.400 2.713 10 5 EFBERO Cc1coc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001497658530 1401528258 /nfs/dbraw/zinc/52/82/58/1401528258.db2.gz YHPLXGAMLNHANN-IHWYPQMZSA-N 1 0 329.356 2.572 10 5 EFBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC001497675860 1401541647 /nfs/dbraw/zinc/54/16/47/1401541647.db2.gz UJUDXSSJTYXQGR-SNAWJCMRSA-N 1 0 329.400 2.713 10 5 EFBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001498509827 1402152913 /nfs/dbraw/zinc/15/29/13/1402152913.db2.gz JDNAXWQHBPAHJM-UHFFFAOYSA-N 1 0 339.442 2.970 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001498567531 1402178852 /nfs/dbraw/zinc/17/88/52/1402178852.db2.gz HMBPAMAHZQYKOO-UHFFFAOYSA-N 1 0 341.411 2.776 10 5 EFBERO O=C(NCC[N@H+](C/C=C\Cl)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001499518056 1402655392 /nfs/dbraw/zinc/65/53/92/1402655392.db2.gz UQMMAVUUVHTVAG-OVUXIIJLSA-N 1 0 343.855 2.545 10 5 EFBERO Cc1occc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001501909531 1403870734 /nfs/dbraw/zinc/87/07/34/1403870734.db2.gz AIHMWJOMSCQZBW-UHFFFAOYSA-N 1 0 343.383 2.939 10 5 EFBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001501993134 1403932685 /nfs/dbraw/zinc/93/26/85/1403932685.db2.gz PVVNRMVJYMNGDA-ZSHCYNCHSA-N 1 0 343.427 2.769 10 5 EFBERO C[NH+](C)CCc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001556066142 1415051227 /nfs/dbraw/zinc/05/12/27/1415051227.db2.gz BWGRPNHKMSJQTP-UHFFFAOYSA-N 1 0 341.411 2.671 10 5 EFBERO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)o1 ZINC001556439295 1415070035 /nfs/dbraw/zinc/07/00/35/1415070035.db2.gz KJECEAUIFJAUCU-UHFFFAOYSA-N 1 0 343.383 2.756 10 5 EFBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556475913 1415071126 /nfs/dbraw/zinc/07/11/26/1415071126.db2.gz JFRGYDHERMJCOV-LLVKDONJSA-N 1 0 327.812 2.637 10 5 EFBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001556549958 1415075692 /nfs/dbraw/zinc/07/56/92/1415075692.db2.gz FXIZVGUNLZQFJZ-QWHCGFSZSA-N 1 0 335.379 2.741 10 5 EFBERO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001557675335 1415137253 /nfs/dbraw/zinc/13/72/53/1415137253.db2.gz BFVLLMBTSQHVRL-HOCLYGCPSA-N 1 0 348.447 2.586 10 5 EFBERO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001557675337 1415137334 /nfs/dbraw/zinc/13/73/34/1415137334.db2.gz BFVLLMBTSQHVRL-ZBFHGGJFSA-N 1 0 348.447 2.586 10 5 EFBERO CC[N@@H+]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001558527602 1415186514 /nfs/dbraw/zinc/18/65/14/1415186514.db2.gz RPXGSOBVQOWYBM-AWEZNQCLSA-N 1 0 337.445 2.533 10 5 EFBERO CCCN(CC[NH+]1CCCCC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001559188539 1415228819 /nfs/dbraw/zinc/22/88/19/1415228819.db2.gz FUKSAIFDYTUCRV-UHFFFAOYSA-N 1 0 331.420 2.945 10 5 EFBERO C[N@@H+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559194206 1415228906 /nfs/dbraw/zinc/22/89/06/1415228906.db2.gz HVZVKWQGFVWELQ-UHFFFAOYSA-N 1 0 334.376 2.958 10 5 EFBERO CCC[N@@H+]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001559244703 1415233465 /nfs/dbraw/zinc/23/34/65/1415233465.db2.gz ZDPQNXYICBAXQG-SNVBAGLBSA-N 1 0 341.795 2.931 10 5 EFBERO Cn1c2ccccc2c(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1=O ZINC001559300549 1415237918 /nfs/dbraw/zinc/23/79/18/1415237918.db2.gz VKLPJSIWQMEZOG-UHFFFAOYSA-N 1 0 344.415 2.591 10 5 EFBERO C[C@@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001559595147 1415251673 /nfs/dbraw/zinc/25/16/73/1415251673.db2.gz ZONRCJZNHUIHOJ-GOSISDBHSA-N 1 0 330.359 3.000 10 5 EFBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC001565956285 1415267059 /nfs/dbraw/zinc/26/70/59/1415267059.db2.gz SAOIUHJMDBPHHN-OLZOCXBDSA-N 1 0 337.395 2.987 10 5 EFBERO CC[N@H+](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC001565614830 1415407638 /nfs/dbraw/zinc/40/76/38/1415407638.db2.gz CRLLUVFBYMOQGN-UHFFFAOYSA-N 1 0 327.812 2.637 10 5 EFBERO C[N@H+](CCCNC(=O)C(C)(C)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001566489896 1415582424 /nfs/dbraw/zinc/58/24/24/1415582424.db2.gz BHLVTARXXFUCMO-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO O=C(CCc1ccoc1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001566787512 1415775216 /nfs/dbraw/zinc/77/52/16/1415775216.db2.gz GZIGCOYQLBDZOU-WKILWMFISA-N 1 0 343.383 2.557 10 5 EFBERO CC[N@H+](CCNC(=O)c1cncc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001567329289 1416076492 /nfs/dbraw/zinc/07/64/92/1416076492.db2.gz ATODYNJUTWHONZ-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO CC[N@H+](CCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567331956 1416076974 /nfs/dbraw/zinc/07/69/74/1416076974.db2.gz PMOQIXJFYKTYRH-UHFFFAOYSA-N 1 0 333.432 2.969 10 5 EFBERO CC[N@H+](CCNC(=O)C1C=CC=CC=C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567333886 1416078228 /nfs/dbraw/zinc/07/82/28/1416078228.db2.gz LPZBAZOKAZGIGR-UHFFFAOYSA-N 1 0 341.411 2.831 10 5 EFBERO CCC[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567427843 1416133321 /nfs/dbraw/zinc/13/33/21/1416133321.db2.gz GRADBTPWFFOKCH-UHFFFAOYSA-N 1 0 348.378 2.704 10 5 EFBERO CC(C)c1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001567539297 1416181191 /nfs/dbraw/zinc/18/11/91/1416181191.db2.gz VRKWPSIVFMHQLA-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CC(C)c1oncc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001567584494 1416197773 /nfs/dbraw/zinc/19/77/73/1416197773.db2.gz WHKKCFMNAWRJJZ-UHFFFAOYSA-N 1 0 346.387 2.568 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cn1 ZINC001567592725 1416201279 /nfs/dbraw/zinc/20/12/79/1416201279.db2.gz AJQVWIBVTMOXES-UHFFFAOYSA-N 1 0 348.790 2.505 10 5 EFBERO C[C@@H](NC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001684042892 1416691646 /nfs/dbraw/zinc/69/16/46/1416691646.db2.gz LURFLEUYDYIEEY-GFCCVEGCSA-N 1 0 339.355 2.803 10 5 EFBERO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2=CCCCC2)CC1 ZINC001690134021 1417162003 /nfs/dbraw/zinc/16/20/03/1417162003.db2.gz CAKDCKOOJYDZBV-QZTJIDSGSA-N 1 0 349.475 2.855 10 5 EFBERO CCC(=CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)CC ZINC001690511545 1417220289 /nfs/dbraw/zinc/22/02/89/1417220289.db2.gz JDUNMLHSQFCHGD-DZFIZOCASA-N 1 0 343.427 2.888 10 5 EFBERO CCC1(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001699296519 1417417874 /nfs/dbraw/zinc/41/78/74/1417417874.db2.gz ZXVXDCZOQHTAOS-ARJAWSKDSA-N 1 0 331.416 2.937 10 5 EFBERO CC(F)(F)CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001700137320 1417580277 /nfs/dbraw/zinc/58/02/77/1417580277.db2.gz XAXVCYVGIGHVMR-UHFFFAOYSA-N 1 0 347.387 2.830 10 5 EFBERO Cc1cncc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001707369775 1418234618 /nfs/dbraw/zinc/23/46/18/1418234618.db2.gz YNGBZTVBJMXALT-UHFFFAOYSA-N 1 0 342.399 2.550 10 5 EFBERO Cc1ccoc1CC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001712971207 1418310517 /nfs/dbraw/zinc/31/05/17/1418310517.db2.gz RIBOQYMJBXGRFS-UHFFFAOYSA-N 1 0 345.399 2.677 10 5 EFBERO CC1(CCC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CC1 ZINC001713283376 1418453248 /nfs/dbraw/zinc/45/32/48/1418453248.db2.gz DJTAUUDJYYKYEC-HWWDLCQESA-N 1 0 343.427 2.722 10 5 EFBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C12CCC(CC1)C2 ZINC001714722573 1418614891 /nfs/dbraw/zinc/61/48/91/1418614891.db2.gz GPUMDXKOJMBZQH-UHFFFAOYSA-N 1 0 331.416 2.723 10 5 EFBERO CCC(CC)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001715482830 1418676983 /nfs/dbraw/zinc/67/69/83/1418676983.db2.gz PLXRRWHMCXXDNC-IAGOWNOFSA-N 1 0 339.480 2.648 10 5 EFBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001716202690 1418722870 /nfs/dbraw/zinc/72/28/70/1418722870.db2.gz CCZIIJAVZBEPMV-UHFFFAOYSA-N 1 0 345.374 2.986 10 5 EFBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001716287638 1418753164 /nfs/dbraw/zinc/75/31/64/1418753164.db2.gz UNQAXWVUUDDHTQ-PLNGDYQASA-N 1 0 329.356 2.572 10 5 EFBERO Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001716310390 1418765761 /nfs/dbraw/zinc/76/57/61/1418765761.db2.gz FETNUACLGCXOSR-ARJAWSKDSA-N 1 0 342.399 2.616 10 5 EFBERO O=C(/C=C\c1ccco1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716674011 1418954784 /nfs/dbraw/zinc/95/47/84/1418954784.db2.gz JGAPJNRDWFQCTD-FPLPWBNLSA-N 1 0 341.367 2.640 10 5 EFBERO O=C(Cc1ccoc1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717151149 1419239702 /nfs/dbraw/zinc/23/97/02/1419239702.db2.gz VUVRUSPLIVOODM-UHFFFAOYSA-N 1 0 343.383 2.559 10 5 EFBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1(CF)CCC1 ZINC001717157007 1419241957 /nfs/dbraw/zinc/24/19/57/1419241957.db2.gz AMCMNOIZNYVFGK-UHFFFAOYSA-N 1 0 349.406 2.863 10 5 EFBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001717205484 1419265664 /nfs/dbraw/zinc/26/56/64/1419265664.db2.gz KEXKVPNFOIKLRJ-UHFFFAOYSA-N 1 0 331.416 2.841 10 5 EFBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001717448665 1419398764 /nfs/dbraw/zinc/39/87/64/1419398764.db2.gz CDBVBZYXQOQCGY-UHFFFAOYSA-N 1 0 343.374 2.824 10 5 EFBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 ZINC001722970579 1424390461 /nfs/dbraw/zinc/39/04/61/1424390461.db2.gz WZZHKSFQEYRLIK-UHFFFAOYSA-N 1 0 333.413 2.908 10 5 EFBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001722975781 1424390981 /nfs/dbraw/zinc/39/09/81/1424390981.db2.gz BNVBVXTZUOIMMP-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO Cc1ncc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001722985169 1424394724 /nfs/dbraw/zinc/39/47/24/1424394724.db2.gz OQYDJVZUXGLTNY-UHFFFAOYSA-N 1 0 348.428 2.612 10 5 EFBERO CC(C)(C)/C=C\C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001723501375 1424513994 /nfs/dbraw/zinc/51/39/94/1424513994.db2.gz VPVWVJJPDKUTLJ-FPLPWBNLSA-N 1 0 331.416 2.936 10 5 EFBERO CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724285375 1424722393 /nfs/dbraw/zinc/72/23/93/1424722393.db2.gz JLXPCXNSAIBOEF-DOOVEFGSSA-N 1 0 337.464 2.616 10 5 EFBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C=C1CCC1 ZINC001724848773 1425065991 /nfs/dbraw/zinc/06/59/91/1425065991.db2.gz VBNOTCMSDYCYMB-UHFFFAOYSA-N 1 0 331.416 2.985 10 5 EFBERO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+](C)C ZINC000300487079 713408276 /nfs/dbraw/zinc/40/82/76/713408276.db2.gz KMQYZACFZRUWMT-GXFFZTMASA-N 1 0 342.237 2.739 10 5 EFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083671 715050161 /nfs/dbraw/zinc/05/01/61/715050161.db2.gz ORPUPYGKFQSZOR-INIZCTEOSA-N 1 0 340.387 2.572 10 5 EFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075775 715112620 /nfs/dbraw/zinc/11/26/20/715112620.db2.gz ADROXIBNIQFMDJ-INIZCTEOSA-N 1 0 340.387 2.572 10 5 EFBERO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3C[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000176193239 715179765 /nfs/dbraw/zinc/17/97/65/715179765.db2.gz ZSRKDSPDLYHPFY-HUUCEWRRSA-N 1 0 327.388 2.933 10 5 EFBERO CCC[NH+]1CCC(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176213652 715194562 /nfs/dbraw/zinc/19/45/62/715194562.db2.gz NZJBRCQNEZHSMV-UHFFFAOYSA-N 1 0 337.395 2.894 10 5 EFBERO CC[C@@H](NC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449130 715519549 /nfs/dbraw/zinc/51/95/49/715519549.db2.gz FMWXASHASQZIMG-JKSUJKDBSA-N 1 0 334.420 2.782 10 5 EFBERO CC[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000893449882 715527276 /nfs/dbraw/zinc/52/72/76/715527276.db2.gz KBHAGSFAWMSATR-CZUORRHYSA-N 1 0 334.420 2.829 10 5 EFBERO CC[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000893452680 715560934 /nfs/dbraw/zinc/56/09/34/715560934.db2.gz WRZWCLKIFYDPOC-ULQDDVLXSA-N 1 0 346.431 2.924 10 5 EFBERO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762616 717348903 /nfs/dbraw/zinc/34/89/03/717348903.db2.gz MHURVECZVJFJKM-ZWNOBZJWSA-N 1 0 342.237 2.835 10 5 EFBERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000311541570 718756442 /nfs/dbraw/zinc/75/64/42/718756442.db2.gz NMXGKBZCGAUXFS-PTOFAABTSA-N 1 0 326.194 2.531 10 5 EFBERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000311541568 718756805 /nfs/dbraw/zinc/75/68/05/718756805.db2.gz NMXGKBZCGAUXFS-HLUHBDAQSA-N 1 0 326.194 2.531 10 5 EFBERO C[C@H]([NH2+]CCn1cccn1)c1ccc([N+](=O)[O-])cc1Br ZINC000888098237 718838902 /nfs/dbraw/zinc/83/89/02/718838902.db2.gz DRQCSMJVMPTGHK-JTQLQIEISA-N 1 0 339.193 2.905 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000311733853 718844016 /nfs/dbraw/zinc/84/40/16/718844016.db2.gz ROJLRTRLZTVYRD-BXKDBHETSA-N 1 0 326.194 2.546 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000311733856 718844149 /nfs/dbraw/zinc/84/41/49/718844149.db2.gz ROJLRTRLZTVYRD-SKDRFNHKSA-N 1 0 326.194 2.546 10 5 EFBERO Cc1cc(Cl)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892767730 719145971 /nfs/dbraw/zinc/14/59/71/719145971.db2.gz ZMKBAHXJBZRQOT-INIZCTEOSA-N 1 0 337.807 2.771 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892775917 719156620 /nfs/dbraw/zinc/15/66/20/719156620.db2.gz DUCJCXLNASWLKA-LVWOJMJRSA-N 1 0 329.400 2.599 10 5 EFBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893025463 719477489 /nfs/dbraw/zinc/47/74/89/719477489.db2.gz KTOQIRHKSFKGJE-CABCVRRESA-N 1 0 349.431 2.695 10 5 EFBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000925515639 719823944 /nfs/dbraw/zinc/82/39/44/719823944.db2.gz VHSPRNMRIZHVGV-CQSZACIVSA-N 1 0 326.780 2.676 10 5 EFBERO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000312648410 720750083 /nfs/dbraw/zinc/75/00/83/720750083.db2.gz FCMCJNCLKPVCFV-PHIMTYICSA-N 1 0 340.221 2.793 10 5 EFBERO CCC[N@@H+]1CC[C@H](CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000053583381 720854550 /nfs/dbraw/zinc/85/45/50/720854550.db2.gz YBJIUTRWFRVDBQ-ZQMJAJRESA-N 1 0 347.415 2.925 10 5 EFBERO CC1(CCCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000788012168 721234141 /nfs/dbraw/zinc/23/41/41/721234141.db2.gz QZZPIOAWJPYEPY-UHFFFAOYSA-N 1 0 349.431 2.650 10 5 EFBERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000894297879 721996126 /nfs/dbraw/zinc/99/61/26/721996126.db2.gz GLQRMPKNZGKSLJ-UHFFFAOYSA-N 1 0 335.404 2.594 10 5 EFBERO COC(=O)[C@H]1[C@@H](C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894314697 722073023 /nfs/dbraw/zinc/07/30/23/722073023.db2.gz IREAATMMHDNIDR-ZIAGYGMSSA-N 1 0 342.342 2.561 10 5 EFBERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000894365242 722618838 /nfs/dbraw/zinc/61/88/38/722618838.db2.gz APIDVUOYPBXEGB-UHFFFAOYSA-N 1 0 335.404 2.594 10 5 EFBERO [NH3+]CCN(Cc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000894762714 722841381 /nfs/dbraw/zinc/84/13/81/722841381.db2.gz YBGKZMIIOIXTPK-UHFFFAOYSA-N 1 0 327.384 2.633 10 5 EFBERO C[C@H]1[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435120 722862457 /nfs/dbraw/zinc/86/24/57/722862457.db2.gz RAKLCNAUDILTST-CPCISQLKSA-N 1 0 332.187 2.724 10 5 EFBERO C[C@@H]1[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434947 722862607 /nfs/dbraw/zinc/86/26/07/722862607.db2.gz FQVVRWWUUVCLCC-KOLCDFICSA-N 1 0 343.836 2.549 10 5 EFBERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895785640 724312686 /nfs/dbraw/zinc/31/26/86/724312686.db2.gz ZMTKRKSHANTIGQ-OQUILHJVSA-N 1 0 330.432 2.840 10 5 EFBERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)CO1 ZINC000895819378 724331352 /nfs/dbraw/zinc/33/13/52/724331352.db2.gz XDDPSZVHJAXNGS-NDGTYSDOSA-N 1 0 347.371 2.552 10 5 EFBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000895854889 724353809 /nfs/dbraw/zinc/35/38/09/724353809.db2.gz NJEBVELUAAZGRP-TZMCWYRMSA-N 1 0 328.796 2.779 10 5 EFBERO C[C@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000906797366 726799956 /nfs/dbraw/zinc/79/99/56/726799956.db2.gz HWDZEVCGZYXJPU-WCQYABFASA-N 1 0 339.823 2.780 10 5 EFBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000732578160 727163690 /nfs/dbraw/zinc/16/36/90/727163690.db2.gz HXOIRWNGEKPRJA-ZDUSSCGKSA-N 1 0 337.807 2.949 10 5 EFBERO C[NH+]1CCC2(CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000908501820 727204009 /nfs/dbraw/zinc/20/40/09/727204009.db2.gz OHGJFYWROKQECS-UHFFFAOYSA-N 1 0 331.416 2.979 10 5 EFBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000911471971 727543241 /nfs/dbraw/zinc/54/32/41/727543241.db2.gz AJSIURZMSBWLEF-FZMZJTMJSA-N 1 0 339.342 2.506 10 5 EFBERO O=C(CCCC[NH+]1CCCC1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478668 727551071 /nfs/dbraw/zinc/55/10/71/727551071.db2.gz QOXOIZKCWUKDSN-UHFFFAOYSA-N 1 0 341.358 2.755 10 5 EFBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000912027988 727637089 /nfs/dbraw/zinc/63/70/89/727637089.db2.gz YWZYTXBBQKROSY-AOOOYVTPSA-N 1 0 343.786 2.942 10 5 EFBERO C[C@H]1CCCN(c2ccc(C(=O)OCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000912594181 727727818 /nfs/dbraw/zinc/72/78/18/727727818.db2.gz NEQMFFRZCJHUKQ-AWEZNQCLSA-N 1 0 349.431 2.940 10 5 EFBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912603378 727729373 /nfs/dbraw/zinc/72/93/73/727729373.db2.gz ZFUSFZHUPQXDKZ-UONOGXRCSA-N 1 0 335.379 2.645 10 5 EFBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000912649917 727732176 /nfs/dbraw/zinc/73/21/76/727732176.db2.gz GAGSAAZWGGSOLN-STQMWFEESA-N 1 0 334.420 2.512 10 5 EFBERO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652214 727732701 /nfs/dbraw/zinc/73/27/01/727732701.db2.gz CNIJDWOKJVGRAX-ZIAGYGMSSA-N 1 0 326.356 2.791 10 5 EFBERO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916606 727758440 /nfs/dbraw/zinc/75/84/40/727758440.db2.gz ZHKMUWXGCOSQGJ-NSHDSACASA-N 1 0 343.305 2.534 10 5 EFBERO CCc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913282914 727815244 /nfs/dbraw/zinc/81/52/44/727815244.db2.gz KQYWJZDIGUMGFQ-QZTJIDSGSA-N 1 0 331.416 2.571 10 5 EFBERO C[NH+]1C[C@]2(C)CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913285728 727816235 /nfs/dbraw/zinc/81/62/35/727816235.db2.gz VKLHPTJWLSRLOA-HZPDHXFCSA-N 1 0 337.807 2.662 10 5 EFBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913285727 727816247 /nfs/dbraw/zinc/81/62/47/727816247.db2.gz VKLHPTJWLSRLOA-HOTGVXAUSA-N 1 0 337.807 2.662 10 5 EFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393604 727833850 /nfs/dbraw/zinc/83/38/50/727833850.db2.gz UNNGKUMEDGTHTM-YPKPFQOOSA-N 1 0 331.416 2.941 10 5 EFBERO CC1(C)OC[C@H](C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000230211196 728568994 /nfs/dbraw/zinc/56/89/94/728568994.db2.gz URJPXSCESIPEER-NSHDSACASA-N 1 0 345.193 2.598 10 5 EFBERO