smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000216929977 241225208 /nfs/dbraw/zinc/22/52/08/241225208.db2.gz QMMVBQPAFXCZEE-UHFFFAOYSA-N 1 0 325.796 2.710 40 5 EFBBRO CC(=O)C(c1nc(-c2ccc([N+](=O)[O-])o2)no1)[n+]1cc(C)ccc1C ZINC000073372882 203265794 /nfs/dbraw/zinc/26/57/94/203265794.db2.gz YOZLPDXELXKNFE-UHFFFAOYSA-O 1 0 343.319 2.937 40 5 EFBBRO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000012349029 207112472 /nfs/dbraw/zinc/11/24/72/207112472.db2.gz JGNPLRLUOZAWJU-OAHLLOKOSA-N 1 0 333.413 2.997 40 5 EFBBRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000097380034 219021126 /nfs/dbraw/zinc/02/11/26/219021126.db2.gz KGHUTCYWNFYESR-UHFFFAOYSA-N 1 0 332.404 2.771 40 5 EFBBRO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000036395368 132392250 /nfs/dbraw/zinc/39/22/50/132392250.db2.gz TXOBRQFNHODQMI-UHFFFAOYSA-N 1 0 327.384 2.796 40 5 EFBBRO Cn1c2scc(-c3cccc([N+](=O)[O-])c3)[n+]2c2ccccc2c1=O ZINC000001636449 280180691 /nfs/dbraw/zinc/18/06/91/280180691.db2.gz TXIYIAJWROZSQJ-UHFFFAOYSA-N 1 0 338.368 2.914 40 5 EFBBRO Cc1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097370387 280563685 /nfs/dbraw/zinc/56/36/85/280563685.db2.gz BUZYLRFNOYXGTL-ZWKOTPCHSA-N 1 0 343.383 2.836 40 5 EFBBRO CC(=O)N1CCC2(CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000096157116 473316223 /nfs/dbraw/zinc/31/62/23/473316223.db2.gz RXTXQNZGISVYFD-UHFFFAOYSA-N 1 0 331.416 2.738 40 5 EFBBRO Cc1cc(=O)oc(C)c1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 ZINC000004028583 471458348 /nfs/dbraw/zinc/45/83/48/471458348.db2.gz VJGXIRQJQRPTAG-QRFGBVCESA-N 1 0 334.436 2.823 40 5 EFBBRO CC[NH2+]CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000005010730 471483175 /nfs/dbraw/zinc/48/31/75/471483175.db2.gz LHFGEJHYNJLFOV-UHFFFAOYSA-N 1 0 328.437 2.928 40 5 EFBBRO CCc1nc2ccc(NCC[NH+](C)C)c3c2n1c1ccccc1c3=O ZINC000005723878 471518590 /nfs/dbraw/zinc/51/85/90/471518590.db2.gz YUTJBINDHFWKND-UHFFFAOYSA-N 1 0 334.423 2.975 40 5 in-vivo EFBBRO C[C@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1O ZINC000007813423 471640336 /nfs/dbraw/zinc/64/03/36/471640336.db2.gz YDZMYTLDHBDZTG-SJCJKPOMSA-N 1 0 327.340 2.860 40 5 EFBBRO C[NH+](C)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000013674031 471837134 /nfs/dbraw/zinc/83/71/34/471837134.db2.gz XQBOSYLZNZEIBR-NBVRZTHBSA-N 1 0 339.395 2.813 40 5 EFBBRO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000020154208 471986364 /nfs/dbraw/zinc/98/63/64/471986364.db2.gz QBTBISYQENCEBV-UHFFFAOYSA-N 1 0 340.383 2.565 40 5 EFBBRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080255479 473005480 /nfs/dbraw/zinc/00/54/80/473005480.db2.gz MRXDINUJMUKNOE-VIFPVBQESA-N 1 0 333.310 2.684 40 5 EFBBRO Cc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000092978311 473016687 /nfs/dbraw/zinc/01/66/87/473016687.db2.gz KGPOSDMTSIMMGJ-UHFFFAOYSA-N 1 0 330.392 2.724 40 5 EFBBRO Clc1cc(Cl)c(C[N+]23CN4CN(CN(C4)C2)C3)cc1Cl ZINC000019319105 282499415 /nfs/dbraw/zinc/49/94/15/282499415.db2.gz PFKJLVPOGRJSLF-UHFFFAOYSA-N 1 0 334.658 2.655 40 5 EFBBRO [NH2+]=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500978 238774196 /nfs/dbraw/zinc/77/41/96/238774196.db2.gz JBYIGAYUMMJVFC-ZFWWWQNUSA-N 1 0 327.365 2.949 40 5 EFBBRO CC1=C(c2cccs2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000019325812 212016932 /nfs/dbraw/zinc/01/69/32/212016932.db2.gz GQMWHGXDZGVLBP-HNNXBMFYSA-N 1 0 331.353 2.813 40 5 EFBBRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017170 285159387 /nfs/dbraw/zinc/15/93/87/285159387.db2.gz BQJGZBZXJNBOMS-BBOMDTFKSA-N 1 0 345.443 2.652 40 5 EFBBRO COc1cc2c(cc1OC)C(Cc1ccc([N+](=O)[O-])cc1)=[N+](C)CC2 ZINC000001704424 277853035 /nfs/dbraw/zinc/85/30/35/277853035.db2.gz JZXLPYCALZPFRY-UHFFFAOYSA-N 1 0 341.387 2.842 40 5 EFBBRO C[C@H]1CCCC[N@@H+]1CCOC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000001670692 471396287 /nfs/dbraw/zinc/39/62/87/471396287.db2.gz GZHWXTPHNGXTBV-NSHDSACASA-N 1 0 333.344 2.767 40 5 EFBBRO CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000002002895 471400606 /nfs/dbraw/zinc/40/06/06/471400606.db2.gz XRJIGJFEKPXBTD-UHFFFAOYSA-N 1 0 328.432 2.562 40 5 in-man EFBBRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000090003903 472579185 /nfs/dbraw/zinc/57/91/85/472579185.db2.gz OIXKESJWSBWODS-CYBMUJFWSA-N 1 0 332.379 2.922 40 5 EFBBRO [NH2+]=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500976 472627146 /nfs/dbraw/zinc/62/71/46/472627146.db2.gz JBYIGAYUMMJVFC-DZGCQCFKSA-N 1 0 327.365 2.949 40 5 EFBBRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133513280 472812513 /nfs/dbraw/zinc/81/25/13/472812513.db2.gz BZSUCEKMSLOUSX-IRXDYDNUSA-N 1 0 327.384 2.682 40 5 EFBBRO COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000048353551 472862872 /nfs/dbraw/zinc/86/28/72/472862872.db2.gz KLNYXZZCCYHZFB-ZDUSSCGKSA-N 1 0 335.404 2.915 40 5 EFBBRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485586 473444529 /nfs/dbraw/zinc/44/45/29/473444529.db2.gz UVWUTAUHUQIJPG-OCCSQVGLSA-N 1 0 333.413 2.696 40 5 EFBBRO Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000195531733 474090313 /nfs/dbraw/zinc/09/03/13/474090313.db2.gz SIHJJWKCFALFPP-WBVHZDCISA-N 1 0 342.399 2.518 40 5 EFBBRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000187478559 526646609 /nfs/dbraw/zinc/64/66/09/526646609.db2.gz MTHUYFIVXRFHSK-ZDUSSCGKSA-N 1 0 325.796 2.548 40 5 EFBBRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000004886669 210310969 /nfs/dbraw/zinc/31/09/69/210310969.db2.gz UPYFNUPMTMHMIG-VHRNVKJDSA-N 1 0 329.400 2.873 40 5 EFBBRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133513662 285221857 /nfs/dbraw/zinc/22/18/57/285221857.db2.gz BZSUCEKMSLOUSX-DLBZAZTESA-N 1 0 327.384 2.682 40 5 EFBBRO C[C@@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc([N+](=O)[O-])cc2)N1O ZINC000007813424 274281822 /nfs/dbraw/zinc/28/18/22/274281822.db2.gz YDZMYTLDHBDZTG-SJKOYZFVSA-N 1 0 327.340 2.860 40 5 EFBBRO CC[NH+](CC)CC[C@H]1SCC(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000000034644 279113606 /nfs/dbraw/zinc/11/36/06/279113606.db2.gz FNNIVQCCQKTSCF-MRXNPFEDSA-N 1 0 337.445 2.728 40 5 EFBBRO O=C(CC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001621251 471394517 /nfs/dbraw/zinc/39/45/17/471394517.db2.gz XVWIQINIWGDZPG-UHFFFAOYSA-N 1 0 330.340 2.760 40 5 EFBBRO COc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000007276042 471603683 /nfs/dbraw/zinc/60/36/83/471603683.db2.gz WZZXQJQKZZWRSW-UHFFFAOYSA-N 1 0 331.372 2.814 40 5 EFBBRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000253392777 474731608 /nfs/dbraw/zinc/73/16/08/474731608.db2.gz GHAOYIKVSHIVMY-ZDUSSCGKSA-N 1 0 335.404 2.598 40 5 EFBBRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)NCC1CCCC1 ZINC000253392398 474731892 /nfs/dbraw/zinc/73/18/92/474731892.db2.gz SDXUJSVTIPXZEA-UHFFFAOYSA-N 1 0 337.395 2.909 40 5 EFBBRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1cccs1 ZINC000245316726 536365047 /nfs/dbraw/zinc/36/50/47/536365047.db2.gz KIZGVNQVNBGSTA-GWCFXTLKSA-N 1 0 348.432 2.524 40 5 EFBBRO C[NH+]1CCC(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000216925911 241226104 /nfs/dbraw/zinc/22/61/04/241226104.db2.gz ARCKCKAQNNHIAJ-UHFFFAOYSA-N 1 0 325.796 2.710 40 5 EFBBRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2cccnc2)n1 ZINC000078552893 217073879 /nfs/dbraw/zinc/07/38/79/217073879.db2.gz HWBHNVGZKJQUEF-UHFFFAOYSA-N 1 0 337.383 2.723 40 5 EFBBRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC1 ZINC000078979793 217164325 /nfs/dbraw/zinc/16/43/25/217164325.db2.gz XZPAVVDPAVOIOS-UHFFFAOYSA-N 1 0 343.383 2.957 40 5 EFBBRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)nc1 ZINC000093534384 218230009 /nfs/dbraw/zinc/23/00/09/218230009.db2.gz HNGUAIRTKYQFPA-CQSZACIVSA-N 1 0 338.371 2.553 40 5 EFBBRO CC(C)[N+]1(C[C@@H](O)COc2cccc3ccccc32)CCOCC1 ZINC000000346504 471349949 /nfs/dbraw/zinc/34/99/49/471349949.db2.gz BUKSYDWFTGVIOV-GOSISDBHSA-N 1 0 330.448 2.835 40 5 EFBBRO O[C@H](COCc1ccccc1)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000002692840 471416190 /nfs/dbraw/zinc/41/61/90/471416190.db2.gz GRVFXJWWXLQHSN-NRFANRHFSA-N 1 0 342.459 2.611 40 5 EFBBRO CCc1[nH+]c(N)nc(N)c1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005386671 471502341 /nfs/dbraw/zinc/50/23/41/471502341.db2.gz SGWVNXVUSVARKJ-UHFFFAOYSA-N 1 0 342.403 2.769 40 5 EFBBRO C[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc([N+](=O)[O-])cc2)N1O ZINC000007813425 471639852 /nfs/dbraw/zinc/63/98/52/471639852.db2.gz YDZMYTLDHBDZTG-YVEFUNNKSA-N 1 0 327.340 2.860 40 5 EFBBRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1 ZINC000020154213 471986962 /nfs/dbraw/zinc/98/69/62/471986962.db2.gz GJSTXTXRYVMQBH-UHFFFAOYSA-N 1 0 340.383 2.565 40 5 EFBBRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(NC2CC2)n1)C1CCCCC1 ZINC000058913237 472611046 /nfs/dbraw/zinc/61/10/46/472611046.db2.gz VNVPUBDZYBMAMA-AWEZNQCLSA-N 1 0 348.451 2.882 40 5 EFBBRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000096454999 473430806 /nfs/dbraw/zinc/43/08/06/473430806.db2.gz CMACGTZYJSUJBS-ZDUSSCGKSA-N 1 0 346.431 2.890 40 5 EFBBRO COc1cc2c(cc1[N+](=O)[O-])[C@H]([NH2+]CCCc1cnn(C)c1)CCC2 ZINC000096476980 473440161 /nfs/dbraw/zinc/44/01/61/473440161.db2.gz GRLBENTWHKMQRB-MRXNPFEDSA-N 1 0 344.415 2.937 40 5 EFBBRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485587 473444698 /nfs/dbraw/zinc/44/46/98/473444698.db2.gz UVWUTAUHUQIJPG-JSGCOSHPSA-N 1 0 333.413 2.696 40 5 EFBBRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485588 473445179 /nfs/dbraw/zinc/44/51/79/473445179.db2.gz UVWUTAUHUQIJPG-TZMCWYRMSA-N 1 0 333.413 2.696 40 5 EFBBRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000040149916 213273148 /nfs/dbraw/zinc/27/31/48/213273148.db2.gz BMFCRKHYUUBBFH-GFCCVEGCSA-N 1 0 336.392 2.599 40 5 EFBBRO COc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000040105271 202169427 /nfs/dbraw/zinc/16/94/27/202169427.db2.gz NRGLWDFKOMRYCO-MRXNPFEDSA-N 1 0 349.431 2.844 40 5 EFBBRO Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665078 202365112 /nfs/dbraw/zinc/36/51/12/202365112.db2.gz SIHJJWKCFALFPP-DOTOQJQBSA-N 1 0 342.399 2.518 40 5 EFBBRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000095401834 218336400 /nfs/dbraw/zinc/33/64/00/218336400.db2.gz OWSZLZASBGCEQS-UHFFFAOYSA-N 1 0 345.443 2.908 40 5 EFBBRO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000012349023 207112008 /nfs/dbraw/zinc/11/20/08/207112008.db2.gz JGNPLRLUOZAWJU-HNNXBMFYSA-N 1 0 333.413 2.997 40 5 EFBBRO C[C@@H]1CCCC[N@@H+]1CCOC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000004783489 471475387 /nfs/dbraw/zinc/47/53/87/471475387.db2.gz GZHWXTPHNGXTBV-LLVKDONJSA-N 1 0 333.344 2.767 40 5 EFBBRO C[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1O ZINC000007813422 471640385 /nfs/dbraw/zinc/64/03/85/471640385.db2.gz YDZMYTLDHBDZTG-PXAZEXFGSA-N 1 0 327.340 2.860 40 5 EFBBRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000090003902 472579313 /nfs/dbraw/zinc/57/93/13/472579313.db2.gz OIXKESJWSBWODS-ZDUSSCGKSA-N 1 0 332.379 2.922 40 5 EFBBRO [NH2+]=C1N[C@H](c2ccccc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500975 472627441 /nfs/dbraw/zinc/62/74/41/472627441.db2.gz JBYIGAYUMMJVFC-UKRRQHHQSA-N 1 0 327.365 2.949 40 5 EFBBRO COc1ccc([C@H](CO)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000079091269 472817626 /nfs/dbraw/zinc/81/76/26/472817626.db2.gz MGMNILXDTGSTHT-SFHVURJKSA-N 1 0 330.384 2.811 40 5 EFBBRO COc1cc2c(cc1[N+](=O)[O-])[C@@H]([NH2+]CCCc1cnn(C)c1)CCC2 ZINC000096476982 473440173 /nfs/dbraw/zinc/44/01/73/473440173.db2.gz GRLBENTWHKMQRB-INIZCTEOSA-N 1 0 344.415 2.937 40 5 EFBBRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096499931 473451318 /nfs/dbraw/zinc/45/13/18/473451318.db2.gz XCCMHNKKMYWRGS-BLLLJJGKSA-N 1 0 331.372 2.985 40 5 EFBBRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180457017 473881739 /nfs/dbraw/zinc/88/17/39/473881739.db2.gz APRBRRQGYSAQBM-JTQLQIEISA-N 1 0 334.763 2.933 40 5 EFBBRO Cc1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000253369379 474728165 /nfs/dbraw/zinc/72/81/65/474728165.db2.gz BUZYLRFNOYXGTL-QZTJIDSGSA-N 1 0 343.383 2.836 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004700303 210252214 /nfs/dbraw/zinc/25/22/14/210252214.db2.gz CGJACONVLRMRBF-PVAVHDDUSA-N 1 0 341.411 2.565 40 5 EFBBRO Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665079 216289604 /nfs/dbraw/zinc/28/96/04/216289604.db2.gz SIHJJWKCFALFPP-RDJZCZTQSA-N 1 0 342.399 2.518 40 5 EFBBRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000023076361 212346982 /nfs/dbraw/zinc/34/69/82/212346982.db2.gz YBZPPFFYXNTLKH-UHFFFAOYSA-N 1 0 342.399 2.711 40 5 EFBBRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000222549398 241526482 /nfs/dbraw/zinc/52/64/82/241526482.db2.gz QZAURYGXHHNEGE-AWEZNQCLSA-N 1 0 342.355 2.836 40 5 EFBBRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1 ZINC000078552766 217074290 /nfs/dbraw/zinc/07/42/90/217074290.db2.gz XLNRREPGAPBJSF-UHFFFAOYSA-N 1 0 332.331 2.933 40 5 EFBBRO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000079050189 217181771 /nfs/dbraw/zinc/18/17/71/217181771.db2.gz LSMDKZFEFGTWAX-UHFFFAOYSA-N 1 0 348.428 2.564 40 5 EFBBRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112114926 220245739 /nfs/dbraw/zinc/24/57/39/220245739.db2.gz ZAZMICDWLJUABA-UHFFFAOYSA-N 1 0 325.796 2.710 40 5 EFBBRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000004886672 210311787 /nfs/dbraw/zinc/31/17/87/210311787.db2.gz ICOCVFFDYRVXGD-FUCXHRTASA-N 1 0 329.400 2.873 40 5 EFBBRO C[NH+]1CCN(Cc2nc3ccccc3c3nc4ccccc4n32)CC1 ZINC000031848076 277109708 /nfs/dbraw/zinc/10/97/08/277109708.db2.gz WJDCTCYUIHIINM-UHFFFAOYSA-N 1 0 331.423 2.783 40 5 EFBBRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000097238683 323214406 /nfs/dbraw/zinc/21/44/06/323214406.db2.gz YBNVFVIZIUXLDO-GFCCVEGCSA-N 1 0 325.796 2.548 40 5 EFBBRO COc1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000095534924 473223993 /nfs/dbraw/zinc/22/39/93/473223993.db2.gz LGSQEJXCYTVTRV-CYBMUJFWSA-N 1 0 339.355 2.631 40 5 EFBBRO CC1CC[NH+](CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000010540229 471737673 /nfs/dbraw/zinc/73/76/73/471737673.db2.gz UIPXFTNXCXRMMM-VOTSOKGWSA-N 1 0 331.416 2.846 40 5 EFBBRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000032398857 472428177 /nfs/dbraw/zinc/42/81/77/472428177.db2.gz SNJJVVJOENPSPL-UHFFFAOYSA-N 1 0 339.395 2.773 40 5 EFBBRO [NH3+][C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000195554931 474094047 /nfs/dbraw/zinc/09/40/47/474094047.db2.gz OHTXUJOZZABIFO-QGZVFWFLSA-N 1 0 325.368 2.786 40 5 EFBBRO O=[N+]([O-])c1ccccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000217501248 474142297 /nfs/dbraw/zinc/14/22/97/474142297.db2.gz OJTJELPFVWZRIG-INIZCTEOSA-N 1 0 328.368 2.875 40 5 EFBBRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1cccs1 ZINC000245316727 536386842 /nfs/dbraw/zinc/38/68/42/536386842.db2.gz KIZGVNQVNBGSTA-MFKMUULPSA-N 1 0 348.432 2.524 40 5 EFBBRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004170501 210137879 /nfs/dbraw/zinc/13/78/79/210137879.db2.gz WRESZNUCZXPYJA-RYRKJORJSA-N 1 0 327.428 2.925 40 5 EFBBRO CCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 ZINC000005297448 282650833 /nfs/dbraw/zinc/65/08/33/282650833.db2.gz XXOLEKKYAAPSAA-KRWDZBQOSA-N 1 0 339.500 2.731 40 5 EFBBRO CC1CC[NH+](C[C@H](O)Cn2ccnc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079077109 217188441 /nfs/dbraw/zinc/18/84/41/217188441.db2.gz COGPLKQXQFDAIL-KRWDZBQOSA-N 1 0 344.415 2.551 40 5 EFBBRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080255481 217293076 /nfs/dbraw/zinc/29/30/76/217293076.db2.gz MRXDINUJMUKNOE-SECBINFHSA-N 1 0 333.310 2.684 40 5 EFBBRO CC[NH+](CC)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000005520729 544421575 /nfs/dbraw/zinc/42/15/75/544421575.db2.gz DBNAILSOGASZLR-UHFFFAOYSA-N 1 0 341.367 2.686 40 5 EFBBRO C/C=C1/C[N@@+]2(C)[C@@H]3Cc4c5cc(O)ccc5[nH]c4[C@@H]2C[C@H]1[C@@H]3CO ZINC000252077959 275404091 /nfs/dbraw/zinc/40/40/91/275404091.db2.gz DOTYYDUNWITJSJ-WBRJUDHJSA-O 1 0 325.432 2.874 40 5 biogenic,in-vitro EFBBRO Cc1n[n+]2c(ncc3c2/C(=C/c2ccc([N+](=O)[O-])cc2)CC3)s1 ZINC000025513917 279052935 /nfs/dbraw/zinc/05/29/35/279052935.db2.gz PBDTVGDPVRLUDZ-XYOKQWHBSA-N 1 0 325.373 2.980 40 5 EFBBRO Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000073314442 280916647 /nfs/dbraw/zinc/91/66/47/280916647.db2.gz BFZWEJRAMIQOMT-UHFFFAOYSA-N 1 0 349.412 2.766 40 5 EFBBRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000001177722 471382897 /nfs/dbraw/zinc/38/28/97/471382897.db2.gz XGWPXXNQWMMZDI-FGTMMUONSA-N 1 0 327.428 2.925 40 5 EFBBRO C[NH+](C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12 ZINC000005392992 471503144 /nfs/dbraw/zinc/50/31/44/471503144.db2.gz YDQFGJFCLNZQJY-UHFFFAOYSA-N 1 0 344.436 2.586 40 5 EFBBRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000013671592 471836888 /nfs/dbraw/zinc/83/68/88/471836888.db2.gz ZCSFMDWGRZOIEK-UHFFFAOYSA-N 1 0 325.796 2.854 40 5 EFBBRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3ncccn3)CC2)ccc1Cl ZINC000078394103 472710322 /nfs/dbraw/zinc/71/03/22/472710322.db2.gz LLFQSOYSWUGNBY-UHFFFAOYSA-N 1 0 347.806 2.797 40 5 EFBBRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000096429611 473409663 /nfs/dbraw/zinc/40/96/63/473409663.db2.gz KIZGVNQVNBGSTA-ZWNOBZJWSA-N 1 0 348.432 2.524 40 5 EFBBRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096499932 473451748 /nfs/dbraw/zinc/45/17/48/473451748.db2.gz XCCMHNKKMYWRGS-WBMJQRKESA-N 1 0 331.372 2.985 40 5 EFBBRO CC(=O)N1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192837057 473736089 /nfs/dbraw/zinc/73/60/89/473736089.db2.gz QZIZOFCBBJLMAR-SFHVURJKSA-N 1 0 331.416 2.820 40 5 EFBBRO Cc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cc1 ZINC000302004364 476184734 /nfs/dbraw/zinc/18/47/34/476184734.db2.gz RYLZWDJDFVOZRY-CQSZACIVSA-N 1 0 340.387 2.661 40 5 EFBBRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000187478541 526661552 /nfs/dbraw/zinc/66/15/52/526661552.db2.gz MTHUYFIVXRFHSK-CYBMUJFWSA-N 1 0 325.796 2.548 40 5 EFBBRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000004170528 210138295 /nfs/dbraw/zinc/13/82/95/210138295.db2.gz XGWPXXNQWMMZDI-SQNIBIBYSA-N 1 0 327.428 2.925 40 5 EFBBRO CCOC(=O)C(C[C@@H]1CCC[N+]2(C)CCCC[C@H]12)C(=O)OCC ZINC000004026646 210103628 /nfs/dbraw/zinc/10/36/28/210103628.db2.gz NONZADLMFDYBRU-FSGMKPHLSA-N 1 0 326.457 2.528 40 5 EFBBRO Cc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000096501512 274854122 /nfs/dbraw/zinc/85/41/22/274854122.db2.gz UOKBGKIOJFGVSR-LBPRGKRZSA-N 1 0 338.371 2.778 40 5 EFBBRO C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c2cc(O)ccc2[nH]c13 ZINC000035465620 276839430 /nfs/dbraw/zinc/83/94/30/276839430.db2.gz DOTYYDUNWITJSJ-YOWPQAFGSA-O 1 0 325.432 2.874 40 5 biogenic,in-vitro EFBBRO COc1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000095534925 473223047 /nfs/dbraw/zinc/22/30/47/473223047.db2.gz LGSQEJXCYTVTRV-ZDUSSCGKSA-N 1 0 339.355 2.631 40 5 EFBBRO C[N+]12CCCC[C@H]1[C@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000000519081 471367358 /nfs/dbraw/zinc/36/73/58/471367358.db2.gz CZOWFUDDKUCISC-GLBCWIETSA-N 1 0 332.420 2.981 40 5 EFBBRO CC[C@]1(c2ccccc2)CCC(=O)N(CC[N+](C)(CC)CC)C1=O ZINC000005468329 471508248 /nfs/dbraw/zinc/50/82/48/471508248.db2.gz DCHGHTDHYBQDDY-HXUWFJFHSA-N 1 0 331.480 2.970 40 5 EFBBRO CC[NH+](CC)CCn1c2ccccc2c(=O)c2c(O)ccc(O)c21 ZINC000033849421 471986310 /nfs/dbraw/zinc/98/63/10/471986310.db2.gz FGMCSSRWWVDXPV-UHFFFAOYSA-N 1 0 326.396 2.908 40 5 EFBBRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000029838543 472299758 /nfs/dbraw/zinc/29/97/58/472299758.db2.gz IZRWMIHJVMZJKY-UHFFFAOYSA-N 1 0 339.395 2.773 40 5 EFBBRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133513864 472812863 /nfs/dbraw/zinc/81/28/63/472812863.db2.gz BZSUCEKMSLOUSX-IAGOWNOFSA-N 1 0 327.384 2.682 40 5 EFBBRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000096429612 473409056 /nfs/dbraw/zinc/40/90/56/473409056.db2.gz KIZGVNQVNBGSTA-GXFFZTMASA-N 1 0 348.432 2.524 40 5 EFBBRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000240471601 474548985 /nfs/dbraw/zinc/54/89/85/474548985.db2.gz GDAKYCAPBVNTTP-WCQYABFASA-N 1 0 333.417 2.769 40 5 EFBBRO C/C=C1/C[N@@+]2(C)[C@@H]3Cc4c5cc(O)ccc5[nH]c4[C@@H]2C[C@H]1[C@H]3CO ZINC000252077957 474657404 /nfs/dbraw/zinc/65/74/04/474657404.db2.gz DOTYYDUNWITJSJ-SCCCUKHHSA-O 1 0 325.432 2.874 40 5 biogenic,in-vitro EFBBRO COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(OC)cc3C[N@+]1(C)CC2 ZINC000247962292 1249264830 /nfs/dbraw/zinc/26/48/30/1249264830.db2.gz RBBVPNQTBKHOEQ-IERDGZPVSA-O 1 0 342.415 2.915 40 5 EFBBRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047416360 204338431 /nfs/dbraw/zinc/33/84/31/204338431.db2.gz FBEAVSVLQVWKJR-GASCZTMLSA-N 1 0 333.432 2.622 40 5 EFBBRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)cc1 ZINC000078552772 285114159 /nfs/dbraw/zinc/11/41/59/285114159.db2.gz MNCBCZHQFNZLIY-UHFFFAOYSA-N 1 0 332.331 2.933 40 5 EFBBRO O=CNc1ccc2nc3ccc(NC=O)cc3[n+](-c3ccccc3)c2c1 ZINC000017289662 275031605 /nfs/dbraw/zinc/03/16/05/275031605.db2.gz VSGSMAMJPXOFLI-UHFFFAOYSA-O 1 0 343.366 2.801 40 5 EFBBRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000012348657 280349642 /nfs/dbraw/zinc/34/96/42/280349642.db2.gz JCIONXPNRANHCW-HNNXBMFYSA-N 1 0 333.413 2.997 40 5 EFBBRO CN1c2ccccc2C(=O)N(CC[N+](C)(C)C)c2ccccc2C1=O ZINC000005510346 290319687 /nfs/dbraw/zinc/31/96/87/290319687.db2.gz PGBACULLILRLDR-UHFFFAOYSA-N 1 0 338.431 2.630 40 5 EFBBRO CC[NH+](CC)CCCCNC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000001670685 471396401 /nfs/dbraw/zinc/39/64/01/471396401.db2.gz VQGRYOGVXZJZSC-UHFFFAOYSA-N 1 0 334.376 2.588 40 5 EFBBRO CC[NH+](CC)CCOc1ccc2nc3ccc(Cl)cc3c(=O)n2n1 ZINC000005453541 471506503 /nfs/dbraw/zinc/50/65/03/471506503.db2.gz MVZKVIXFMJEUAJ-UHFFFAOYSA-N 1 0 346.818 2.617 40 5 EFBBRO C/C=C1/C[N+]2(C)[C@@H]3Cc4c5cc(O)ccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3CO ZINC000035465618 471996291 /nfs/dbraw/zinc/99/62/91/471996291.db2.gz DOTYYDUNWITJSJ-NIFIAVBPSA-O 1 0 325.432 2.874 40 5 biogenic,in-vitro EFBBRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000060063796 472634572 /nfs/dbraw/zinc/63/45/72/472634572.db2.gz WUHVWBYKHNQYSW-UHFFFAOYSA-N 1 0 349.431 2.988 40 5 EFBBRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096499933 473451848 /nfs/dbraw/zinc/45/18/48/473451848.db2.gz XCCMHNKKMYWRGS-LRDDRELGSA-N 1 0 331.372 2.985 40 5 EFBBRO C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000180411291 473870366 /nfs/dbraw/zinc/87/03/66/473870366.db2.gz TYLKHGVMBGJFDL-ZDUSSCGKSA-N 1 0 338.367 2.656 40 5 EFBBRO Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000195531734 474089933 /nfs/dbraw/zinc/08/99/33/474089933.db2.gz SIHJJWKCFALFPP-NVXWUHKLSA-N 1 0 342.399 2.518 40 5 EFBBRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC)c1 ZINC000253392774 474732207 /nfs/dbraw/zinc/73/22/07/474732207.db2.gz GHAOYIKVSHIVMY-CYBMUJFWSA-N 1 0 335.404 2.598 40 5 EFBBRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047416364 213848524 /nfs/dbraw/zinc/84/85/24/213848524.db2.gz FBEAVSVLQVWKJR-HUUCEWRRSA-N 1 0 333.432 2.622 40 5 EFBBRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072630332 216284147 /nfs/dbraw/zinc/28/41/47/216284147.db2.gz XSBQSOSOJMLDPJ-UHFFFAOYSA-N 1 0 348.447 2.648 40 5 EFBBRO CC1=C(c2cccs2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O ZINC000019325809 212016027 /nfs/dbraw/zinc/01/60/27/212016027.db2.gz GQMWHGXDZGVLBP-OAHLLOKOSA-N 1 0 331.353 2.813 40 5 EFBBRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2C1 ZINC000092407999 218139293 /nfs/dbraw/zinc/13/92/93/218139293.db2.gz QOLDERGXMZNAGO-UHFFFAOYSA-N 1 0 343.387 2.552 40 5 EFBBRO Cc1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097370383 219015532 /nfs/dbraw/zinc/01/55/32/219015532.db2.gz BUZYLRFNOYXGTL-ROUUACIJSA-N 1 0 343.383 2.836 40 5 EFBBRO CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000097370368 219015910 /nfs/dbraw/zinc/01/59/10/219015910.db2.gz GLBWVPPJSLPYAM-GFCCVEGCSA-N 1 0 328.372 2.874 40 5 EFBBRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133513478 285221821 /nfs/dbraw/zinc/22/18/21/285221821.db2.gz BZSUCEKMSLOUSX-SJORKVTESA-N 1 0 327.384 2.682 40 5 EFBBRO CC[NH+](CC)CC[C@@H]1SCC(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000000034643 471319125 /nfs/dbraw/zinc/31/91/25/471319125.db2.gz FNNIVQCCQKTSCF-INIZCTEOSA-N 1 0 337.445 2.728 40 5 EFBBRO CC(C)[N+]1(C[C@H](O)COc2cccc3ccccc32)CCOCC1 ZINC000000346502 471349507 /nfs/dbraw/zinc/34/95/07/471349507.db2.gz BUKSYDWFTGVIOV-SFHVURJKSA-N 1 0 330.448 2.835 40 5 EFBBRO CCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 ZINC000005297451 471497450 /nfs/dbraw/zinc/49/74/50/471497450.db2.gz XXOLEKKYAAPSAA-QGZVFWFLSA-N 1 0 339.500 2.731 40 5 EFBBRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000096418711 473398182 /nfs/dbraw/zinc/39/81/82/473398182.db2.gz FECKPDBGIWOGLL-UHFFFAOYSA-N 1 0 342.399 2.627 40 5 EFBBRO C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000180411305 473871554 /nfs/dbraw/zinc/87/15/54/473871554.db2.gz TYLKHGVMBGJFDL-CYBMUJFWSA-N 1 0 338.367 2.656 40 5 EFBBRO Cc1ccc([N+](=O)[O-])c(N(C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000241515580 474556223 /nfs/dbraw/zinc/55/62/23/474556223.db2.gz OGIJGACZOIWFLB-UHFFFAOYSA-N 1 0 343.431 2.701 40 5 EFBBRO C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000245231461 474572722 /nfs/dbraw/zinc/57/27/22/474572722.db2.gz CZOWFUDDKUCISC-JXXFODFXSA-N 1 0 332.420 2.981 40 5 EFBBRO COc1cccc(C(=O)Nc2cccc3c2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000252490410 474674692 /nfs/dbraw/zinc/67/46/92/474674692.db2.gz KSVXYHSAMFZIEV-UHFFFAOYSA-N 1 0 341.367 2.844 40 5 EFBBRO COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(OC)cc3C[N@@+]1(C)CC2 ZINC000247962295 1249264914 /nfs/dbraw/zinc/26/49/14/1249264914.db2.gz RBBVPNQTBKHOEQ-IIBYNOLFSA-O 1 0 342.415 2.915 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004700662 210251577 /nfs/dbraw/zinc/25/15/77/210251577.db2.gz FAPKDRKTVSYZEC-LXZKKBNFSA-N 1 0 329.400 2.541 40 5 EFBBRO COC(=O)CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 ZINC000004028448 210103570 /nfs/dbraw/zinc/10/35/70/210103570.db2.gz DQPCKZZXKTTXKQ-GWFKTICUSA-N 1 0 326.457 2.672 40 5 EFBBRO C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000000343980 209543597 /nfs/dbraw/zinc/54/35/97/209543597.db2.gz CZOWFUDDKUCISC-QRFGBVCESA-N 1 0 332.420 2.981 40 5 EFBBRO CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000097370363 219015656 /nfs/dbraw/zinc/01/56/56/219015656.db2.gz GLBWVPPJSLPYAM-LBPRGKRZSA-N 1 0 328.372 2.874 40 5 EFBBRO [NH3+][C@H](Cc1ccccc1)c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000095534879 473223982 /nfs/dbraw/zinc/22/39/82/473223982.db2.gz IHDNUSUOGXZYKH-OAHLLOKOSA-N 1 0 339.355 2.534 40 5 EFBBRO CC[C@@]1(c2ccccc2)CCC(=O)N(CC[N+](C)(CC)CC)C1=O ZINC000005469139 471507865 /nfs/dbraw/zinc/50/78/65/471507865.db2.gz DCHGHTDHYBQDDY-FQEVSTJZSA-N 1 0 331.480 2.970 40 5 EFBBRO [NH3+][C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000097234109 472485267 /nfs/dbraw/zinc/48/52/67/472485267.db2.gz LHUHNIFVBGHTPD-KRWDZBQOSA-N 1 0 325.368 2.786 40 5 EFBBRO [NH2+]=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500977 472627643 /nfs/dbraw/zinc/62/76/43/472627643.db2.gz JBYIGAYUMMJVFC-HIFRSBDPSA-N 1 0 327.365 2.949 40 5 EFBBRO CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000063527739 472786744 /nfs/dbraw/zinc/78/67/44/472786744.db2.gz YDVGNXYGKJJQDO-GOSISDBHSA-N 1 0 331.416 2.738 40 5 EFBBRO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000063527738 472786898 /nfs/dbraw/zinc/78/68/98/472786898.db2.gz YDVGNXYGKJJQDO-SFHVURJKSA-N 1 0 331.416 2.738 40 5 EFBBRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017168 473028721 /nfs/dbraw/zinc/02/87/21/473028721.db2.gz BQJGZBZXJNBOMS-PFWMLDTASA-N 1 0 345.443 2.652 40 5 EFBBRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000096412873 473392387 /nfs/dbraw/zinc/39/23/87/473392387.db2.gz UHULYOUKWIATOO-UHFFFAOYSA-N 1 0 328.800 2.556 40 5 EFBBRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096499930 473452008 /nfs/dbraw/zinc/45/20/08/473452008.db2.gz XCCMHNKKMYWRGS-MLGOLLRUSA-N 1 0 331.372 2.985 40 5 EFBBRO Cc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000096501511 473453869 /nfs/dbraw/zinc/45/38/69/473453869.db2.gz UOKBGKIOJFGVSR-GFCCVEGCSA-N 1 0 338.371 2.778 40 5 EFBBRO O=[N+]([O-])c1ccccc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000217501340 474141732 /nfs/dbraw/zinc/14/17/32/474141732.db2.gz OJTJELPFVWZRIG-MRXNPFEDSA-N 1 0 328.368 2.875 40 5 EFBBRO O[C@@H](COCc1ccccc1)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000002692841 209891956 /nfs/dbraw/zinc/89/19/56/209891956.db2.gz GRVFXJWWXLQHSN-OAQYLSRUSA-N 1 0 342.459 2.611 40 5 EFBBRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000040149917 213273355 /nfs/dbraw/zinc/27/33/55/213273355.db2.gz BMFCRKHYUUBBFH-LBPRGKRZSA-N 1 0 336.392 2.599 40 5 EFBBRO COc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000040105270 213264820 /nfs/dbraw/zinc/26/48/20/213264820.db2.gz NRGLWDFKOMRYCO-INIZCTEOSA-N 1 0 349.431 2.844 40 5 EFBBRO COc1ccc(C[N@@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000011172875 211206765 /nfs/dbraw/zinc/20/67/65/211206765.db2.gz GJMKCPPGSZPJMF-UHFFFAOYSA-N 1 0 342.399 2.711 40 5 EFBBRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007923167 210864998 /nfs/dbraw/zinc/86/49/98/210864998.db2.gz VDVVFSRNJQDZMR-UHFFFAOYSA-N 1 0 325.796 2.854 40 5 EFBBRO CC[NH+](CC)CCOCCOC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004792438 210278388 /nfs/dbraw/zinc/27/83/88/210278388.db2.gz MPCIUPFTCOFRFO-UHFFFAOYSA-N 1 0 325.365 2.502 40 5 EFBBRO COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534928 473223937 /nfs/dbraw/zinc/22/39/37/473223937.db2.gz ZOLHDUAYJVJXIO-CQSZACIVSA-N 1 0 339.355 2.631 40 5 EFBBRO O=C(OCCC[NH+]1CCCCC1)c1noc2cc([N+](=O)[O-])ccc21 ZINC000001670691 471396247 /nfs/dbraw/zinc/39/62/47/471396247.db2.gz DKXPAQLNJFTZDM-UHFFFAOYSA-N 1 0 333.344 2.769 40 5 EFBBRO COc1cc(NC(=O)C[NH2+]Cc2ccc(C)cc2)c(C)cc1[N+](=O)[O-] ZINC000006300135 471539777 /nfs/dbraw/zinc/53/97/77/471539777.db2.gz MZODDBLCMOORMA-UHFFFAOYSA-N 1 0 343.383 2.949 40 5 EFBBRO COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1OC ZINC000007276362 471604011 /nfs/dbraw/zinc/60/40/11/471604011.db2.gz DBVPMQCXCZYMEC-UHFFFAOYSA-N 1 0 331.372 2.814 40 5 EFBBRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010540232 471737537 /nfs/dbraw/zinc/73/75/37/471737537.db2.gz CUZFOAULMKLQTC-VMPITWQZSA-N 1 0 331.416 2.846 40 5 EFBBRO O=C(CC[N@@H+]1CCCSCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103493 472448507 /nfs/dbraw/zinc/44/85/07/472448507.db2.gz FYHURYHAZJYYQB-UHFFFAOYSA-N 1 0 327.381 2.501 40 5 EFBBRO O=[N+]([O-])c1cnccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000077209670 472475289 /nfs/dbraw/zinc/47/52/89/472475289.db2.gz SELXIAXEFHGPEJ-UHFFFAOYSA-N 1 0 342.399 2.627 40 5 EFBBRO [NH3+][C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000097234111 472484780 /nfs/dbraw/zinc/48/47/80/472484780.db2.gz LHUHNIFVBGHTPD-QGZVFWFLSA-N 1 0 325.368 2.786 40 5 EFBBRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000096454998 473431311 /nfs/dbraw/zinc/43/13/11/473431311.db2.gz CMACGTZYJSUJBS-CYBMUJFWSA-N 1 0 346.431 2.890 40 5 EFBBRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485589 473444349 /nfs/dbraw/zinc/44/43/49/473444349.db2.gz UVWUTAUHUQIJPG-GXTWGEPZSA-N 1 0 333.413 2.696 40 5 EFBBRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000192551247 473691586 /nfs/dbraw/zinc/69/15/86/473691586.db2.gz DZFOIHDYRJGASL-CQSZACIVSA-N 1 0 344.419 2.761 40 5 EFBBRO CC(=O)N1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192837040 473735293 /nfs/dbraw/zinc/73/52/93/473735293.db2.gz QZIZOFCBBJLMAR-GOSISDBHSA-N 1 0 331.416 2.820 40 5 EFBBRO COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000048353552 213927221 /nfs/dbraw/zinc/92/72/21/213927221.db2.gz KLNYXZZCCYHZFB-CYBMUJFWSA-N 1 0 335.404 2.915 40 5 EFBBRO C[n+]1cc(Br)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000226777931 280181246 /nfs/dbraw/zinc/18/12/46/280181246.db2.gz MQCLCVOKPFCYHE-UHFFFAOYSA-N 1 0 335.137 2.990 40 5 EFBBRO Cc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cc1 ZINC000302004363 323717263 /nfs/dbraw/zinc/71/72/63/323717263.db2.gz RYLZWDJDFVOZRY-AWEZNQCLSA-N 1 0 340.387 2.661 40 5 EFBBRO COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534929 473223212 /nfs/dbraw/zinc/22/32/12/473223212.db2.gz ZOLHDUAYJVJXIO-AWEZNQCLSA-N 1 0 339.355 2.631 40 5 EFBBRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000000178656 471331958 /nfs/dbraw/zinc/33/19/58/471331958.db2.gz WRESZNUCZXPYJA-SOLBZPMBSA-N 1 0 327.428 2.925 40 5 EFBBRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000097095971 472444089 /nfs/dbraw/zinc/44/40/89/472444089.db2.gz AREIDCJEQWEFAK-CABCVRRESA-N 1 0 332.404 2.994 40 5 EFBBRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000192551267 473691419 /nfs/dbraw/zinc/69/14/19/473691419.db2.gz DZFOIHDYRJGASL-AWEZNQCLSA-N 1 0 344.419 2.761 40 5 EFBBRO [NH3+][C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000195554932 474094231 /nfs/dbraw/zinc/09/42/31/474094231.db2.gz OHTXUJOZZABIFO-KRWDZBQOSA-N 1 0 325.368 2.786 40 5 EFBBRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000247342166 474124893 /nfs/dbraw/zinc/12/48/93/474124893.db2.gz XQBBZFKZMUSCNQ-ZIAGYGMSSA-N 1 0 328.821 2.955 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222203509 474166273 /nfs/dbraw/zinc/16/62/73/474166273.db2.gz CGJACONVLRMRBF-UAGQMJEPSA-N 1 0 341.411 2.565 40 5 EFBBRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047416362 213848420 /nfs/dbraw/zinc/84/84/20/213848420.db2.gz FBEAVSVLQVWKJR-GJZGRUSLSA-N 1 0 333.432 2.622 40 5 EFBBRO CC1CC[NH+](C[C@@H](O)Cn2ccnc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079077110 217187531 /nfs/dbraw/zinc/18/75/31/217187531.db2.gz COGPLKQXQFDAIL-QGZVFWFLSA-N 1 0 344.415 2.551 40 5 EFBBRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)nc1 ZINC000093534383 218229668 /nfs/dbraw/zinc/22/96/68/218229668.db2.gz HNGUAIRTKYQFPA-AWEZNQCLSA-N 1 0 338.371 2.553 40 5 EFBBRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)cc1OC(F)F ZINC000092686248 258066550 /nfs/dbraw/zinc/06/65/50/258066550.db2.gz FZISTAWYVPWBEX-UHFFFAOYSA-N 1 0 327.331 2.917 40 5 EFBBRO [NH3+][C@@H](Cc1ccccc1)c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000095534900 473223297 /nfs/dbraw/zinc/22/32/97/473223297.db2.gz JDSAXIHFMKNANA-HNNXBMFYSA-N 1 0 339.355 2.534 40 5 EFBBRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000096268664 473368898 /nfs/dbraw/zinc/36/88/98/473368898.db2.gz YKQFKVLSOIYVNT-UHFFFAOYSA-N 1 0 331.416 2.738 40 5 EFBBRO CCCCNc1ccc(-c2c(N)nc(N)[nH+]c2CC)cc1[N+](=O)[O-] ZINC000005479323 471508586 /nfs/dbraw/zinc/50/85/86/471508586.db2.gz SFRBAHTXVPYXJU-UHFFFAOYSA-N 1 0 330.392 2.991 40 5 EFBBRO COc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000007275239 471603030 /nfs/dbraw/zinc/60/30/30/471603030.db2.gz HDIAKGRDHKSMSA-UHFFFAOYSA-N 1 0 331.372 2.814 40 5 EFBBRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)c1 ZINC000020154210 471986799 /nfs/dbraw/zinc/98/67/99/471986799.db2.gz DNHUAYHWYZLUGP-UHFFFAOYSA-N 1 0 340.383 2.565 40 5 EFBBRO C[NH+](C)Cc1cccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000033083776 472496125 /nfs/dbraw/zinc/49/61/25/472496125.db2.gz MKSOIQOZRNXEON-ZHACJKMWSA-N 1 0 339.395 2.986 40 5 EFBBRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(NC2CC2)n1)C1CCCCC1 ZINC000058913240 472611073 /nfs/dbraw/zinc/61/10/73/472611073.db2.gz VNVPUBDZYBMAMA-CQSZACIVSA-N 1 0 348.451 2.882 40 5 EFBBRO C[n+]1cc(Br)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000226778042 474244356 /nfs/dbraw/zinc/24/43/56/474244356.db2.gz HNRXCRMRFQCIPR-UHFFFAOYSA-N 1 0 335.137 2.990 40 5 EFBBRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000240471600 474549470 /nfs/dbraw/zinc/54/94/70/474549470.db2.gz GDAKYCAPBVNTTP-DGCLKSJQSA-N 1 0 333.417 2.769 40 5 EFBBRO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000245231460 474572690 /nfs/dbraw/zinc/57/26/90/474572690.db2.gz CZOWFUDDKUCISC-GQIGUUNPSA-N 1 0 332.420 2.981 40 5 EFBBRO C[N@+]12CCCC[C@H]1[C@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000245231463 474572818 /nfs/dbraw/zinc/57/28/18/474572818.db2.gz CZOWFUDDKUCISC-TWOQFEAHSA-N 1 0 332.420 2.981 40 5 EFBBRO COc1ccc([C@@H](CO)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000079091274 217190409 /nfs/dbraw/zinc/19/04/09/217190409.db2.gz MGMNILXDTGSTHT-GOSISDBHSA-N 1 0 330.384 2.811 40 5 EFBBRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000092627956 218154246 /nfs/dbraw/zinc/15/42/46/218154246.db2.gz DAAYYFNOPCEYAG-UHFFFAOYSA-N 1 0 326.360 2.645 40 5 EFBBRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007923174 210864641 /nfs/dbraw/zinc/86/46/41/210864641.db2.gz XGJJPPSITHQWCO-UHFFFAOYSA-N 1 0 325.796 2.854 40 5 EFBBRO [NH3+][C@H](Cc1ccccc1)c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000095534901 473223171 /nfs/dbraw/zinc/22/31/71/473223171.db2.gz JDSAXIHFMKNANA-OAHLLOKOSA-N 1 0 339.355 2.534 40 5 EFBBRO [NH3+][C@@H](Cc1ccccc1)c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000095534878 473223502 /nfs/dbraw/zinc/22/35/02/473223502.db2.gz IHDNUSUOGXZYKH-HNNXBMFYSA-N 1 0 339.355 2.534 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000000285080 471344108 /nfs/dbraw/zinc/34/41/08/471344108.db2.gz CGJACONVLRMRBF-HYVNUMGLSA-N 1 0 341.411 2.565 40 5 EFBBRO O=C(NCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000058440386 472570140 /nfs/dbraw/zinc/57/01/40/472570140.db2.gz NWWNJNHGGUKRJQ-UHFFFAOYSA-N 1 0 339.804 2.829 40 5 EFBBRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000222549471 474171021 /nfs/dbraw/zinc/17/10/21/474171021.db2.gz QZAURYGXHHNEGE-CQSZACIVSA-N 1 0 342.355 2.836 40 5 EFBBRO Cc1cnc(COC(=O)c2ccn3c[nH+]cc3c2)c(C)c1[N+](=O)[O-] ZINC000225600177 474228989 /nfs/dbraw/zinc/22/89/89/474228989.db2.gz LZAYXWTWMXMBLA-UHFFFAOYSA-N 1 0 326.312 2.611 40 5 EFBBRO Cc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000253369378 474727350 /nfs/dbraw/zinc/72/73/50/474727350.db2.gz BUZYLRFNOYXGTL-MSOLQXFVSA-N 1 0 343.383 2.836 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004700661 210252187 /nfs/dbraw/zinc/25/21/87/210252187.db2.gz FAPKDRKTVSYZEC-YSVLISHTSA-N 1 0 329.400 2.541 40 5 EFBBRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000183331999 235012444 /nfs/dbraw/zinc/01/24/44/235012444.db2.gz ZWENZAOXURMSDL-UHFFFAOYSA-N 1 0 327.388 2.770 40 5 EFBBRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004746025 210268685 /nfs/dbraw/zinc/26/86/85/210268685.db2.gz YWVMVXLEDAROOQ-NJAFHUGGSA-N 1 0 327.428 2.925 40 5 EFBBRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000057547676 132200906 /nfs/dbraw/zinc/20/09/06/132200906.db2.gz HOPZQKSIERKYJI-UHFFFAOYSA-N 1 0 349.394 2.860 40 5 EFBBRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000097238685 323214362 /nfs/dbraw/zinc/21/43/62/323214362.db2.gz YBNVFVIZIUXLDO-LBPRGKRZSA-N 1 0 325.796 2.548 40 5 EFBBRO CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001636925 471394421 /nfs/dbraw/zinc/39/44/21/471394421.db2.gz RERISHFHDQIJKF-UHFFFAOYSA-O 1 0 341.475 2.525 40 5 EFBBRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000002734889 471418948 /nfs/dbraw/zinc/41/89/48/471418948.db2.gz YWVMVXLEDAROOQ-BPQIPLTHSA-N 1 0 327.428 2.925 40 5 EFBBRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000012348664 471773655 /nfs/dbraw/zinc/77/36/55/471773655.db2.gz JCIONXPNRANHCW-OAHLLOKOSA-N 1 0 333.413 2.997 40 5 EFBBRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180457037 473882320 /nfs/dbraw/zinc/88/23/20/473882320.db2.gz APRBRRQGYSAQBM-SNVBAGLBSA-N 1 0 334.763 2.933 40 5 EFBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222203562 474166881 /nfs/dbraw/zinc/16/68/81/474166881.db2.gz CGJACONVLRMRBF-USXIJHARSA-N 1 0 341.411 2.565 40 5 EFBBRO