smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000093320822 728475205 /nfs/dbraw/zinc/47/52/05/728475205.db2.gz NIBLBHZLWSCLSM-UHFFFAOYSA-N 0 1 367.559 2.779 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCc2[nH]ncc21 ZINC000134647184 728731715 /nfs/dbraw/zinc/73/17/15/728731715.db2.gz KYSHPMRGXHSPDY-INIZCTEOSA-N 0 1 356.495 2.699 20 10 FFCDMN COCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000778913804 738420652 /nfs/dbraw/zinc/42/06/52/738420652.db2.gz FRNCZANZPWZHFO-HNNXBMFYSA-N 0 1 352.862 2.553 20 10 FFCDMN C[C@@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000858090635 730416283 /nfs/dbraw/zinc/41/62/83/730416283.db2.gz PHIRRFKJQIOSCB-CHWSQXEVSA-N 0 1 357.292 2.744 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@]12CCCO2 ZINC000858156510 730418117 /nfs/dbraw/zinc/41/81/17/730418117.db2.gz JPHYLVQDMLKNJE-BZUAXINKSA-N 0 1 356.260 2.971 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858171310 730418615 /nfs/dbraw/zinc/41/86/15/730418615.db2.gz UUHNHZVGTGNJLK-ZDUSSCGKSA-N 0 1 366.433 2.692 20 10 FFCDMN CCO[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)[C@@H]1n1cccn1 ZINC000858171119 730418665 /nfs/dbraw/zinc/41/86/65/730418665.db2.gz UPAWGCWLOJMZBR-JQHSSLGASA-N 0 1 350.413 2.736 20 10 FFCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000858185220 730419074 /nfs/dbraw/zinc/41/90/74/730419074.db2.gz AJSZIBWFUUYQJQ-RWMBFGLXSA-N 0 1 357.292 2.742 20 10 FFCDMN CC[C@H](NCc1c(I)cnn1C)c1ccccc1O ZINC000866631831 731081710 /nfs/dbraw/zinc/08/17/10/731081710.db2.gz SCDCNJMCXGBFSU-LBPRGKRZSA-N 0 1 371.222 2.971 20 10 FFCDMN Cc1ccc(O)c([C@@H](C)NCc2c(I)cnn2C)c1 ZINC000866632495 731082146 /nfs/dbraw/zinc/08/21/46/731082146.db2.gz ZXWPOXDUBWIKDH-SNVBAGLBSA-N 0 1 371.222 2.890 20 10 FFCDMN CC(C)N(Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N(C)C)cc1 ZINC000876584476 732259316 /nfs/dbraw/zinc/25/93/16/732259316.db2.gz IALXSVUINCDQDU-UHFFFAOYSA-N 0 1 367.540 2.872 20 10 FFCDMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000876663210 732266875 /nfs/dbraw/zinc/26/68/75/732266875.db2.gz YAOCZCLBCDRSOT-DZGCQCFKSA-N 0 1 365.524 2.674 20 10 FFCDMN O=C([N-]CC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000877778858 732428892 /nfs/dbraw/zinc/42/88/92/732428892.db2.gz VJSUOMDWWZFEAS-UHFFFAOYSA-N 0 1 355.404 2.787 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000781907873 738670843 /nfs/dbraw/zinc/67/08/43/738670843.db2.gz GHUPBFSZKSUDKG-AWEZNQCLSA-N 0 1 369.303 2.617 20 10 FFCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Cl)cn3)cc2)C1 ZINC000885936002 733731302 /nfs/dbraw/zinc/73/13/02/733731302.db2.gz YSEZAMRTGYYCMI-HNNXBMFYSA-N 0 1 358.873 2.727 20 10 FFCDMN COc1ccc(CN2CCN(c3nc(C)c(C)s3)CC2)c(O)c1OC ZINC000892120068 734517366 /nfs/dbraw/zinc/51/73/66/734517366.db2.gz DSGXUFNTJBJIHU-UHFFFAOYSA-N 0 1 363.483 2.805 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CC(F)(F)C(F)(F)F)cc2)CC1 ZINC000893608443 734726047 /nfs/dbraw/zinc/72/60/47/734726047.db2.gz URYOSXWXWXIBHW-UHFFFAOYSA-N 0 1 365.346 2.642 20 10 FFCDMN O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000893953547 734777415 /nfs/dbraw/zinc/77/74/15/734777415.db2.gz DUJISDZCDZILOS-CYBMUJFWSA-N 0 1 357.223 2.537 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3CCSCC3)cc2F)CC1 ZINC000732936898 734777775 /nfs/dbraw/zinc/77/77/75/734777775.db2.gz XDTUVYXQAADEFI-UHFFFAOYSA-N 0 1 365.518 2.727 20 10 FFCDMN COC(=O)c1c(CNC[C@](C)(O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894361253 734845539 /nfs/dbraw/zinc/84/55/39/734845539.db2.gz FZHUQYVCBQDZCI-HNNXBMFYSA-N 0 1 362.323 2.507 20 10 FFCDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)C(F)(F)F ZINC000894795687 734918341 /nfs/dbraw/zinc/91/83/41/734918341.db2.gz SNHUCOOQDRGECH-SECBINFHSA-N 0 1 352.303 2.561 20 10 FFCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)C(F)(F)F ZINC000894795687 734918347 /nfs/dbraw/zinc/91/83/47/734918347.db2.gz SNHUCOOQDRGECH-SECBINFHSA-N 0 1 352.303 2.561 20 10 FFCDMN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756362261 736325491 /nfs/dbraw/zinc/32/54/91/736325491.db2.gz KISWGIRBXSRCOO-LBPRGKRZSA-N 0 1 368.748 2.878 20 10 FFCDMN Cc1nn2cc(S(=O)(=O)Nc3ccc(O)cc3C)cnc2c1Cl ZINC000766317273 737218862 /nfs/dbraw/zinc/21/88/62/737218862.db2.gz JKWFASCLRKIETD-UHFFFAOYSA-N 0 1 352.803 2.506 20 10 FFCDMN C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768077273 737395986 /nfs/dbraw/zinc/39/59/86/737395986.db2.gz GIARLXKCUPAHIZ-COXVUDFISA-N 0 1 366.889 2.799 20 10 FFCDMN CCOC(=O)[C@@H]1CSCCN1Cc1cccc(Br)c1O ZINC000768231366 737407875 /nfs/dbraw/zinc/40/78/75/737407875.db2.gz WDVHEOBVKYSUHW-LBPRGKRZSA-N 0 1 360.273 2.635 20 10 FFCDMN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000769428943 737529189 /nfs/dbraw/zinc/52/91/89/737529189.db2.gz XEQQHFVUHPOZKC-ZDUSSCGKSA-N 0 1 354.244 2.930 20 10 FFCDMN Oc1c(F)cc(Cl)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000775703053 738115041 /nfs/dbraw/zinc/11/50/41/738115041.db2.gz IWAUCRDHKVDWBH-UHFFFAOYSA-N 0 1 350.703 2.811 20 10 FFCDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776748752 738229280 /nfs/dbraw/zinc/22/92/80/738229280.db2.gz ZFJDSUPELRGBIB-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000776870501 738240190 /nfs/dbraw/zinc/24/01/90/738240190.db2.gz VHPBQPFWBFPFON-DJSGYFEHSA-N 0 1 374.275 2.626 20 10 FFCDMN CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000786944695 739091448 /nfs/dbraw/zinc/09/14/48/739091448.db2.gz GXECNXDWAHOTCN-ZDUSSCGKSA-N 0 1 362.289 2.630 20 10 FFCDMN CC(C)CN1C[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN2C1=O ZINC000787288832 739123523 /nfs/dbraw/zinc/12/35/23/739123523.db2.gz MUBOYQUXMAKLNH-AWEZNQCLSA-N 0 1 355.841 2.763 20 10 FFCDMN CCOC(=O)[C@H](NCc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000789581080 739369888 /nfs/dbraw/zinc/36/98/88/739369888.db2.gz OEMIOCCOXRHUKI-GXTWGEPZSA-N 0 1 372.259 2.603 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000790411958 739450434 /nfs/dbraw/zinc/45/04/34/739450434.db2.gz XJJASBKCRZGYAE-UHFFFAOYSA-N 0 1 368.798 2.843 20 10 FFCDMN CCCN(Cc1cccc(Br)c1O)[C@@H](COC)C(=O)OCC ZINC000792186454 739648785 /nfs/dbraw/zinc/64/87/85/739648785.db2.gz NZKYFAMYBKKVJO-AWEZNQCLSA-N 0 1 374.275 2.945 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2SC)cs1 ZINC000792701847 739695367 /nfs/dbraw/zinc/69/53/67/739695367.db2.gz DBBVZWBZVZSFCZ-UHFFFAOYSA-N 0 1 359.450 2.763 20 10 FFCDMN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000797112438 740213163 /nfs/dbraw/zinc/21/31/63/740213163.db2.gz QBKOIQGKCGHHGL-HZMBPMFUSA-N 0 1 352.784 2.959 20 10 FFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c(Cl)c1 ZINC000797819456 740275775 /nfs/dbraw/zinc/27/57/75/740275775.db2.gz JSELJMYHVXOYJT-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc1C ZINC000800478758 740527629 /nfs/dbraw/zinc/52/76/29/740527629.db2.gz QVQUTVHGQMZKGT-OAHLLOKOSA-N 0 1 362.495 2.982 20 10 FFCDMN COc1ccc(N2CCN(C(=O)CN[C@H](C)c3ccsc3)CC2)cc1 ZINC000801569094 740632640 /nfs/dbraw/zinc/63/26/40/740632640.db2.gz BNNDUYYPUVWWRJ-OAHLLOKOSA-N 0 1 359.495 2.756 20 10 FFCDMN CCNC(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805350546 740963193 /nfs/dbraw/zinc/96/31/93/740963193.db2.gz KJLHQPSLNAWSOY-UHFFFAOYSA-N 0 1 374.268 2.805 20 10 FFCDMN CCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837557 741162823 /nfs/dbraw/zinc/16/28/23/741162823.db2.gz VMMMJEBDISMSRZ-LLVKDONJSA-N 0 1 363.266 2.627 20 10 FFCDMN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000808065954 741182809 /nfs/dbraw/zinc/18/28/09/741182809.db2.gz CZMCEKDZOVLUJD-UHFFFAOYSA-N 0 1 370.814 2.813 20 10 FFCDMN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223889 741399484 /nfs/dbraw/zinc/39/94/84/741399484.db2.gz BQNYVTZLZLDZBA-ZDUSSCGKSA-N 0 1 368.421 2.780 20 10 FFCDMN CO[C@@](C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535860 741630499 /nfs/dbraw/zinc/63/04/99/741630499.db2.gz ISIDRFKJTPSUAA-QFBILLFUSA-N 0 1 366.889 2.941 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1 ZINC000824161178 743029630 /nfs/dbraw/zinc/02/96/30/743029630.db2.gz KVQSYYNDYBSDLR-LJQANCHMSA-N 0 1 357.523 2.901 20 10 FFCDMN CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824615548 743117223 /nfs/dbraw/zinc/11/72/23/743117223.db2.gz IOKZEMPECYHPNI-LBPRGKRZSA-N 0 1 357.794 2.616 20 10 FFCDMN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824615548 743117228 /nfs/dbraw/zinc/11/72/28/743117228.db2.gz IOKZEMPECYHPNI-LBPRGKRZSA-N 0 1 357.794 2.616 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000824654683 743123371 /nfs/dbraw/zinc/12/33/71/743123371.db2.gz QBDAPLBGNPZKFG-BJJXKVORSA-N 0 1 370.287 2.825 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124878 743214606 /nfs/dbraw/zinc/21/46/06/743214606.db2.gz ZZOUDRCZUDBZMJ-KRTXAFLBSA-N 0 1 354.712 2.699 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000825142737 743218199 /nfs/dbraw/zinc/21/81/99/743218199.db2.gz BNCJNBSELXZZID-CQSZACIVSA-N 0 1 370.218 2.823 20 10 FFCDMN COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825757891 743323610 /nfs/dbraw/zinc/32/36/10/743323610.db2.gz XYYOAKBAXMVQSL-UHFFFAOYSA-N 0 1 362.857 2.811 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000826539471 743393123 /nfs/dbraw/zinc/39/31/23/743393123.db2.gz ULDCSUCEYMMBEO-MRXNPFEDSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000826539471 743393132 /nfs/dbraw/zinc/39/31/32/743393132.db2.gz ULDCSUCEYMMBEO-MRXNPFEDSA-N 0 1 369.303 2.841 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000827633741 744951378 /nfs/dbraw/zinc/95/13/78/744951378.db2.gz CRUSMUSVTOKQOA-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1OCCN1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000827741742 744969122 /nfs/dbraw/zinc/96/91/22/744969122.db2.gz ZZTXITJERRRGBS-UHFFFAOYSA-N 0 1 355.232 2.571 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1[O-] ZINC000834850435 745913791 /nfs/dbraw/zinc/91/37/91/745913791.db2.gz MLDGNUCGVGNRPR-JSGCOSHPSA-N 0 1 357.292 2.652 20 10 FFCDMN COc1ccc(N2CCN(CCCCC3(C)OCCO3)CC2)cc1F ZINC000838867597 746725523 /nfs/dbraw/zinc/72/55/23/746725523.db2.gz ATRYREVSGFZROQ-UHFFFAOYSA-N 0 1 352.450 2.890 20 10 FFCDMN CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000839191666 746798898 /nfs/dbraw/zinc/79/88/98/746798898.db2.gz CIJZEBDAJAHCNN-ZDUSSCGKSA-N 0 1 360.376 2.747 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(Cl)c1 ZINC000840872688 747208680 /nfs/dbraw/zinc/20/86/80/747208680.db2.gz MKFZFBQBGPQJGS-UHFFFAOYSA-N 0 1 365.861 2.698 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC000840947454 747238475 /nfs/dbraw/zinc/23/84/75/747238475.db2.gz UFQLXCKPBVIEIN-AWEZNQCLSA-N 0 1 352.784 2.707 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC000842882566 747713084 /nfs/dbraw/zinc/71/30/84/747713084.db2.gz HFJNERNJDOYEQF-AAEUAGOBSA-N 0 1 367.854 2.931 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000843306496 747808790 /nfs/dbraw/zinc/80/87/90/747808790.db2.gz SGIKFPQFTODUDQ-LLVKDONJSA-N 0 1 365.430 2.668 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C1CC1 ZINC000846122932 748411889 /nfs/dbraw/zinc/41/18/89/748411889.db2.gz MAQYKFSOBKZGTG-QWHCGFSZSA-N 0 1 354.244 2.786 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1[O-] ZINC000848562477 748961598 /nfs/dbraw/zinc/96/15/98/748961598.db2.gz DQFLJXXHPHCEHN-YPMHNXCESA-N 0 1 365.275 2.881 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930233 749037613 /nfs/dbraw/zinc/03/76/13/749037613.db2.gz OYQBCPWXUBODNO-HNNXBMFYSA-N 0 1 369.303 2.841 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1[O-] ZINC000848930686 749037647 /nfs/dbraw/zinc/03/76/47/749037647.db2.gz VJEBGDKHBVVDHJ-HNNXBMFYSA-N 0 1 369.849 2.641 20 10 FFCDMN CCCn1nccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322617 749342604 /nfs/dbraw/zinc/34/26/04/749342604.db2.gz AKGRLNXIFHLQCF-UHFFFAOYSA-N 0 1 350.413 2.698 20 10 FFCDMN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000852469412 749869177 /nfs/dbraw/zinc/86/91/77/749869177.db2.gz VAVSYNVRAUFBPL-GFCCVEGCSA-N 0 1 370.291 2.827 20 10 FFCDMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000852469412 749869181 /nfs/dbraw/zinc/86/91/81/749869181.db2.gz VAVSYNVRAUFBPL-GFCCVEGCSA-N 0 1 370.291 2.827 20 10 FFCDMN COc1ccc(CN2CCN(CCCOC(C)(C)C)CC2)c(O)c1OC ZINC000896020706 971162123 /nfs/dbraw/zinc/16/21/23/971162123.db2.gz CLDAVJVPSLKMEX-UHFFFAOYSA-N 0 1 366.502 2.732 20 10 FFCDMN Cc1cc(CN2CCC[C@@]23CCN(CC(F)F)C3=O)ccc1N(C)C ZINC001275952673 1013222580 /nfs/dbraw/zinc/22/25/80/1013222580.db2.gz ZMTZZJMSXAZCTE-IBGZPJMESA-N 0 1 351.441 2.893 20 10 FFCDMN COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956708 1013227933 /nfs/dbraw/zinc/22/79/33/1013227933.db2.gz LAXWILZEHWFVKQ-LJQANCHMSA-N 0 1 368.424 2.664 20 10 FFCDMN C[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000825639152 1013304094 /nfs/dbraw/zinc/30/40/94/1013304094.db2.gz LKWUDRVILBOYLZ-CQSZACIVSA-N 0 1 353.470 2.947 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2coc3c2C(=O)CCC3)N(C)C)cc1 ZINC000891247916 962580941 /nfs/dbraw/zinc/58/09/41/962580941.db2.gz LHTVCSWSQAUPHG-QGZVFWFLSA-N 0 1 369.465 2.897 20 10 FFCDMN CCOC(=O)c1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001167422944 963010443 /nfs/dbraw/zinc/01/04/43/963010443.db2.gz HVHUZJRNGSZUPO-UHFFFAOYSA-N 0 1 368.481 2.931 20 10 FFCDMN COc1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1OC ZINC000894688409 965607193 /nfs/dbraw/zinc/60/71/93/965607193.db2.gz SDFLABWYWPSTIT-UZLBHIALSA-N 0 1 361.413 2.709 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894753242 965667595 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Cc1[nH]ncc1CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000045539734 506981438 /nfs/dbraw/zinc/98/14/38/506981438.db2.gz PZQFEHDPBQNCNP-GOSISDBHSA-N 0 1 372.469 2.747 20 10 FFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000111399333 508097019 /nfs/dbraw/zinc/09/70/19/508097019.db2.gz HQHPQNWUDREXBF-JTQLQIEISA-N 0 1 353.216 2.542 20 10 FFCDMN C[C@@H](O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000130739861 508839565 /nfs/dbraw/zinc/83/95/65/508839565.db2.gz WXAKSSOVOYGBLO-SSDOTTSWSA-N 0 1 353.054 2.730 20 10 FFCDMN COc1cc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)cc1OC ZINC000159963834 508918346 /nfs/dbraw/zinc/91/83/46/508918346.db2.gz MXZKUINQUINXPG-UHFFFAOYSA-N 0 1 363.845 2.780 20 10 FFCDMN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000186111070 509528764 /nfs/dbraw/zinc/52/87/64/509528764.db2.gz RXWYMEURRJHMCC-CMPLNLGQSA-N 0 1 356.264 2.609 20 10 FFCDMN O=C(Oc1ccccc1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000265751238 510209109 /nfs/dbraw/zinc/20/91/09/510209109.db2.gz XALLTLAHFGNFOD-UHFFFAOYSA-N 0 1 370.405 2.828 20 10 FFCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000282326167 510932494 /nfs/dbraw/zinc/93/24/94/510932494.db2.gz AJNUIZXOOXSXGG-INIZCTEOSA-N 0 1 354.516 2.666 20 10 FFCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000282326167 510932499 /nfs/dbraw/zinc/93/24/99/510932499.db2.gz AJNUIZXOOXSXGG-INIZCTEOSA-N 0 1 354.516 2.666 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000276779838 510947323 /nfs/dbraw/zinc/94/73/23/510947323.db2.gz BUERFWXJTNNIAH-UHFFFAOYSA-N 0 1 365.407 2.753 20 10 FFCDMN C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@@H+]1C1CC1 ZINC000277613655 510967093 /nfs/dbraw/zinc/96/70/93/510967093.db2.gz VWCLQSQGPXVKTG-CMPLNLGQSA-N 0 1 368.275 2.579 20 10 FFCDMN C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@H+]1C1CC1 ZINC000277613655 510967097 /nfs/dbraw/zinc/96/70/97/510967097.db2.gz VWCLQSQGPXVKTG-CMPLNLGQSA-N 0 1 368.275 2.579 20 10 FFCDMN COc1cccc(CNCc2c(C)nn(C)c2OCC(F)(F)F)c1O ZINC000289376469 511099725 /nfs/dbraw/zinc/09/97/25/511099725.db2.gz BTKUYCKVXRTDLP-UHFFFAOYSA-N 0 1 359.348 2.674 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000289780376 511115442 /nfs/dbraw/zinc/11/54/42/511115442.db2.gz ROOPFKYHARKYTP-CQSZACIVSA-N 0 1 364.320 2.588 20 10 FFCDMN CN(C)c1ccc(CNCc2cnc(N3CCOCC3)c(F)c2)cc1F ZINC000274082325 511714225 /nfs/dbraw/zinc/71/42/25/511714225.db2.gz NTDFLFMKZAAVON-UHFFFAOYSA-N 0 1 362.424 2.552 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ncnc(N)c3Cl)cc2F)CC1 ZINC000302874429 511718709 /nfs/dbraw/zinc/71/87/09/511718709.db2.gz DFQDCUWEDGVTDY-UHFFFAOYSA-N 0 1 364.856 2.605 20 10 FFCDMN CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483918 511762708 /nfs/dbraw/zinc/76/27/08/511762708.db2.gz OISNYXTUZDOKAO-ODCWNRFASA-N 0 1 367.511 2.846 20 10 FFCDMN CS(=O)(=O)N1CCN(Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000378442477 512761162 /nfs/dbraw/zinc/76/11/62/512761162.db2.gz ODYTUBMGRWGZLB-UHFFFAOYSA-N 0 1 366.870 2.827 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000372281911 512794589 /nfs/dbraw/zinc/79/45/89/512794589.db2.gz KRJQBLSZXLXZPD-KGLIPLIRSA-N 0 1 357.834 2.597 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000435810327 513689909 /nfs/dbraw/zinc/68/99/09/513689909.db2.gz SHZBQMOXPHNLGH-KRWDZBQOSA-N 0 1 369.509 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCOC2)C1 ZINC000435871797 513704681 /nfs/dbraw/zinc/70/46/81/513704681.db2.gz UZWPZYDVWNVTBQ-INIZCTEOSA-N 0 1 355.482 2.703 20 10 FFCDMN CO[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444271754 514175042 /nfs/dbraw/zinc/17/50/42/514175042.db2.gz TYUJUZMQHGGKEJ-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ncc[nH]2)C1 ZINC000555967282 517210638 /nfs/dbraw/zinc/21/06/38/517210638.db2.gz SRIUFAQZPACLRO-UHFFFAOYSA-N 0 1 365.481 2.790 20 10 FFCDMN C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1[O-] ZINC000527955418 518010547 /nfs/dbraw/zinc/01/05/47/518010547.db2.gz NZTVLXNQQVTXDF-AOMKIAJQSA-N 0 1 370.493 2.812 20 10 FFCDMN COC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737752721 600573848 /nfs/dbraw/zinc/57/38/48/600573848.db2.gz XHESFUXBAAVAQB-INIZCTEOSA-N 0 1 370.449 2.943 20 10 FFCDMN CCN(C)c1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000821165086 606171666 /nfs/dbraw/zinc/17/16/66/606171666.db2.gz OVGBQGRHGWQRBM-UHFFFAOYSA-N 0 1 360.421 2.686 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3cn4ccnc4s3)SC2=S)CC1 ZINC000899260379 735467432 /nfs/dbraw/zinc/46/74/32/735467432.db2.gz FESFLBWWXNRMRW-WQLSENKSSA-N 0 1 364.521 2.691 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000104192787 728500979 /nfs/dbraw/zinc/50/09/79/728500979.db2.gz FQCJIXQJSKIFRP-INIZCTEOSA-N 0 1 360.527 2.521 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000123871049 728663769 /nfs/dbraw/zinc/66/37/69/728663769.db2.gz OGDFZGNQRNEIOD-UHFFFAOYSA-N 0 1 352.450 2.524 20 10 FFCDMN CN(C)c1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)cc1F ZINC000132648570 728724976 /nfs/dbraw/zinc/72/49/76/728724976.db2.gz VNGQLAHGYMXILJ-UHFFFAOYSA-N 0 1 354.422 2.594 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000779460343 738466346 /nfs/dbraw/zinc/46/63/46/738466346.db2.gz OLHZLRSRHNITCU-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN CCO[C@H]1C[C@@](CO)([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000858158287 730418147 /nfs/dbraw/zinc/41/81/47/730418147.db2.gz DPSUXIKRFBLZGK-HOCLYGCPSA-N 0 1 358.276 2.810 20 10 FFCDMN CCn1nncc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000858440588 730425752 /nfs/dbraw/zinc/42/57/52/730425752.db2.gz YVAXKWWCZVCFQO-SECBINFHSA-N 0 1 355.236 2.626 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000862243581 730680699 /nfs/dbraw/zinc/68/06/99/730680699.db2.gz NNHBRLBJCUQQLP-AWEZNQCLSA-N 0 1 351.441 2.865 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781230 730996842 /nfs/dbraw/zinc/99/68/42/730996842.db2.gz JEDLDQUXKCBCOV-CQSZACIVSA-N 0 1 356.260 2.830 20 10 FFCDMN OC1CCN(c2ccc(CN3CCC(O)(C(F)(F)F)CC3)cc2)CC1 ZINC000877170119 732330874 /nfs/dbraw/zinc/33/08/74/732330874.db2.gz IUAWVWYOCJCGKQ-UHFFFAOYSA-N 0 1 358.404 2.537 20 10 FFCDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965209 732810905 /nfs/dbraw/zinc/81/09/05/732810905.db2.gz AJIVFFPNTIZOJZ-VFZGTOFNSA-N 0 1 364.243 2.860 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[O-] ZINC000880206577 732865574 /nfs/dbraw/zinc/86/55/74/732865574.db2.gz CBAVEBOKBCJCSF-KRWDZBQOSA-N 0 1 366.889 2.981 20 10 FFCDMN Cc1nc(Cl)sc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881850657 733120331 /nfs/dbraw/zinc/12/03/31/733120331.db2.gz BDVMQHKTPRIHLB-UHFFFAOYSA-N 0 1 364.902 2.787 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1[O-] ZINC000927146418 738696218 /nfs/dbraw/zinc/69/62/18/738696218.db2.gz NTHOQTYIDGSIIA-WCQYABFASA-N 0 1 365.275 2.881 20 10 FFCDMN CSCCCCCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883628740 733414261 /nfs/dbraw/zinc/41/42/61/733414261.db2.gz WOZGSQWNRUIIHD-UHFFFAOYSA-N 0 1 364.559 2.771 20 10 FFCDMN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Br)ccc3[O-])O2)CO1 ZINC000886334631 733775090 /nfs/dbraw/zinc/77/50/90/733775090.db2.gz ZCMDSERGCHQWAY-XFJVYGCCSA-N 0 1 356.260 2.971 20 10 FFCDMN O=C(NCC[NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000731452499 734679344 /nfs/dbraw/zinc/67/93/44/734679344.db2.gz AZFGBWMLYGOYMK-UHFFFAOYSA-N 0 1 367.218 2.813 20 10 FFCDMN C[C@@H]1c2nncn2CCN1Cc1cc(Cl)cc(Br)c1O ZINC000894551673 734878263 /nfs/dbraw/zinc/87/82/63/734878263.db2.gz NUCABBYDAOKTFS-MRVPVSSYSA-N 0 1 357.639 2.976 20 10 FFCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)[S@@]1=O ZINC000894552823 734878543 /nfs/dbraw/zinc/87/85/43/734878543.db2.gz WZFKKRUGEJSSQN-MCCHPSBSSA-N 0 1 350.253 2.635 20 10 FFCDMN C[C@H]1OCC[C@@]12CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC000894603281 734886194 /nfs/dbraw/zinc/88/61/94/734886194.db2.gz UXUOUHAYFQLICK-MEBBXXQBSA-N 0 1 360.223 2.674 20 10 FFCDMN CCO/C=C/[C@](O)(CNCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708306 735044220 /nfs/dbraw/zinc/04/42/20/735044220.db2.gz QMCIDAODXSOQLE-KIUWMYQTSA-N 0 1 350.356 2.825 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722464 735047867 /nfs/dbraw/zinc/04/78/67/735047867.db2.gz WGPHXXCXTKIJHS-AWEZNQCLSA-N 0 1 356.260 2.518 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722464 735047870 /nfs/dbraw/zinc/04/78/70/735047870.db2.gz WGPHXXCXTKIJHS-AWEZNQCLSA-N 0 1 356.260 2.518 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc(Br)cc3[O-])O2)CO1 ZINC000895819651 735059715 /nfs/dbraw/zinc/05/97/15/735059715.db2.gz YRZWELWDXGJPOH-DIOULYMOSA-N 0 1 356.260 2.971 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc(Br)cc3[O-])O2)CO1 ZINC000895819653 735059763 /nfs/dbraw/zinc/05/97/63/735059763.db2.gz YRZWELWDXGJPOH-DJSGYFEHSA-N 0 1 356.260 2.971 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1[O-] ZINC000895846891 735063522 /nfs/dbraw/zinc/06/35/22/735063522.db2.gz RNYSUQNDOSOSMZ-GFCCVEGCSA-N 0 1 354.712 2.701 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)COC(=O)N1 ZINC000896394032 735152521 /nfs/dbraw/zinc/15/25/21/735152521.db2.gz CWBBZAOSDVJSPL-WBMJQRKESA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)COC(=O)N1 ZINC000896468060 735166215 /nfs/dbraw/zinc/16/62/15/735166215.db2.gz VUVBJYJXBKBRLF-MRXNPFEDSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443418 738891794 /nfs/dbraw/zinc/89/17/94/738891794.db2.gz SBGNWDWGGDZFRW-XNRPHZJLSA-N 0 1 352.862 2.551 20 10 FFCDMN CCN1CCC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392118 736086672 /nfs/dbraw/zinc/08/66/72/736086672.db2.gz MRTAJBWFNHGKKY-KBXCAEBGSA-N 0 1 365.905 2.838 20 10 FFCDMN CCOCCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000754726946 736191369 /nfs/dbraw/zinc/19/13/69/736191369.db2.gz YEIFTYIBPUOMBU-UHFFFAOYSA-N 0 1 350.503 2.852 20 10 FFCDMN C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766159 737047343 /nfs/dbraw/zinc/04/73/43/737047343.db2.gz YFCWZYOSDGKJPX-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766159 737047348 /nfs/dbraw/zinc/04/73/48/737047348.db2.gz YFCWZYOSDGKJPX-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN CC[N@H+](CCNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764777870 737048575 /nfs/dbraw/zinc/04/85/75/737048575.db2.gz HJRGCADSIGQZAX-UHFFFAOYSA-N 0 1 358.280 2.684 20 10 FFCDMN CC[N@@H+](CCNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764777870 737048580 /nfs/dbraw/zinc/04/85/80/737048580.db2.gz HJRGCADSIGQZAX-UHFFFAOYSA-N 0 1 358.280 2.684 20 10 FFCDMN CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781754 737048869 /nfs/dbraw/zinc/04/88/69/737048869.db2.gz XZMKKZLUWAPNFT-NSHDSACASA-N 0 1 358.280 2.684 20 10 FFCDMN CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781754 737048872 /nfs/dbraw/zinc/04/88/72/737048872.db2.gz XZMKKZLUWAPNFT-NSHDSACASA-N 0 1 358.280 2.684 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000768340606 737414978 /nfs/dbraw/zinc/41/49/78/737414978.db2.gz ABJWIQALFHDUAA-SFHVURJKSA-N 0 1 367.559 2.827 20 10 FFCDMN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514261 737537833 /nfs/dbraw/zinc/53/78/33/737537833.db2.gz ICPPFISKDPSNQQ-OAHLLOKOSA-N 0 1 371.865 2.887 20 10 FFCDMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921670855 738020602 /nfs/dbraw/zinc/02/06/02/738020602.db2.gz LMWQWINTQBGAIF-CQSZACIVSA-N 0 1 360.479 2.771 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000775286481 738078795 /nfs/dbraw/zinc/07/87/95/738078795.db2.gz JWKKFHSSDSAMBB-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776017625 738152591 /nfs/dbraw/zinc/15/25/91/738152591.db2.gz QGKDJRQZXXDJHJ-ZDUSSCGKSA-N 0 1 374.840 2.910 20 10 FFCDMN CC(C)(C)OCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000778390307 738379417 /nfs/dbraw/zinc/37/94/17/738379417.db2.gz NOGKTUZUHSUTAR-OAHLLOKOSA-N 0 1 354.878 2.941 20 10 FFCDMN COC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccsc1 ZINC000789580770 739369882 /nfs/dbraw/zinc/36/98/82/739369882.db2.gz KOEZHKRSVDTBHH-GOSISDBHSA-N 0 1 359.495 2.504 20 10 FFCDMN CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000792165827 739644969 /nfs/dbraw/zinc/64/49/69/739644969.db2.gz LFAAKPUJTZFWAL-SNVBAGLBSA-N 0 1 354.731 2.780 20 10 FFCDMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000795670092 740050673 /nfs/dbraw/zinc/05/06/73/740050673.db2.gz LHBVYZUETIWMMJ-UHFFFAOYSA-N 0 1 366.830 2.739 20 10 FFCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 ZINC000797820364 740276266 /nfs/dbraw/zinc/27/62/66/740276266.db2.gz UKJUXPHNBOLUIQ-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN COCCOC[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805188893 740948663 /nfs/dbraw/zinc/94/86/63/740948663.db2.gz KIYPJQWHQQYCPW-VIFPVBQESA-N 0 1 351.230 2.550 20 10 FFCDMN CC(C)n1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513116 741138115 /nfs/dbraw/zinc/13/81/15/741138115.db2.gz GIYUPZHYVZKTAM-UHFFFAOYSA-N 0 1 371.224 2.731 20 10 FFCDMN Oc1c(Cl)cc(Cl)cc1CNc1cc(N2CCOCC2)ncn1 ZINC000808090352 741185615 /nfs/dbraw/zinc/18/56/15/741185615.db2.gz ZXGWMRYYCCEKEM-UHFFFAOYSA-N 0 1 355.225 2.938 20 10 FFCDMN C[C@H](O)c1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000809610434 741321245 /nfs/dbraw/zinc/32/12/45/741321245.db2.gz ZWBXAZBSBXDODB-AWEZNQCLSA-N 0 1 361.511 2.695 20 10 FFCDMN CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809688238 741331535 /nfs/dbraw/zinc/33/15/35/741331535.db2.gz FOTPMBAGURIHJO-GFCCVEGCSA-N 0 1 367.298 2.555 20 10 FFCDMN CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809688238 741331539 /nfs/dbraw/zinc/33/15/39/741331539.db2.gz FOTPMBAGURIHJO-GFCCVEGCSA-N 0 1 367.298 2.555 20 10 FFCDMN CC[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C)S1(=O)=O ZINC000809725180 741337353 /nfs/dbraw/zinc/33/73/53/741337353.db2.gz KUVISXBSHYXQCA-ZYHUDNBSSA-N 0 1 362.289 2.552 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCSC3)cc2F)CC1 ZINC000810362116 741411440 /nfs/dbraw/zinc/41/14/40/741411440.db2.gz QFVSVJUIHZLTMH-INIZCTEOSA-N 0 1 365.518 2.727 20 10 FFCDMN CCOc1cccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811514722 741532818 /nfs/dbraw/zinc/53/28/18/741532818.db2.gz PIFALGIYKKFECE-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1cccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811514722 741532819 /nfs/dbraw/zinc/53/28/19/741532819.db2.gz PIFALGIYKKFECE-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816573849 742043179 /nfs/dbraw/zinc/04/31/79/742043179.db2.gz NIIUOQOZJAWMLA-GFCCVEGCSA-N 0 1 374.840 2.910 20 10 FFCDMN CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490145 743090965 /nfs/dbraw/zinc/09/09/65/743090965.db2.gz XPTLGRZNBRXVMG-LBPRGKRZSA-N 0 1 360.237 2.711 20 10 FFCDMN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824616496 743117439 /nfs/dbraw/zinc/11/74/39/743117439.db2.gz WQSCHQYNBUWQFW-GFCCVEGCSA-N 0 1 357.248 2.817 20 10 FFCDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000825104121 743210208 /nfs/dbraw/zinc/21/02/08/743210208.db2.gz OCWMHMIODOIRNY-RDDDGLTNSA-N 0 1 365.065 2.872 20 10 FFCDMN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825290889 743242971 /nfs/dbraw/zinc/24/29/71/743242971.db2.gz AMAMDKREZXJDSH-CHWSQXEVSA-N 0 1 362.289 2.600 20 10 FFCDMN Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825326223 743248297 /nfs/dbraw/zinc/24/82/97/743248297.db2.gz KLAFKFNEBHSADU-UKRRQHHQSA-N 0 1 366.259 2.898 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000826016742 743356410 /nfs/dbraw/zinc/35/64/10/743356410.db2.gz LHAVRYVTYJMKTA-MRXNPFEDSA-N 0 1 370.287 2.812 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827688059 744960467 /nfs/dbraw/zinc/96/04/67/744960467.db2.gz ZDNHYNSARCSDGG-NSHDSACASA-N 0 1 355.822 2.690 20 10 FFCDMN Cc1[nH]ncc1CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000828094340 745026710 /nfs/dbraw/zinc/02/67/10/745026710.db2.gz ORULVUCJUJISAU-UHFFFAOYSA-N 0 1 355.467 2.710 20 10 FFCDMN CO[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544638 745378087 /nfs/dbraw/zinc/37/80/87/745378087.db2.gz SDNYRYHXIIEFOA-KBRIMQKVSA-N 0 1 366.889 2.941 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000833566113 745788257 /nfs/dbraw/zinc/78/82/57/745788257.db2.gz QZMSNTDZMMNVND-MRXNPFEDSA-N 0 1 361.511 2.732 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(C)c3O)[C@H](C)C2)n[nH]1 ZINC000835072460 745945201 /nfs/dbraw/zinc/94/52/01/745945201.db2.gz AYEYLZXLEXBZEJ-CYBMUJFWSA-N 0 1 362.861 2.732 20 10 FFCDMN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1[O-] ZINC000839173606 746793269 /nfs/dbraw/zinc/79/32/69/746793269.db2.gz OMTYXVNZGWXJDW-HNNXBMFYSA-N 0 1 355.862 2.859 20 10 FFCDMN Cc1cc(N(C)C)ccc1CNCc1ccccc1S(=O)(=O)N(C)C ZINC000840929040 747230594 /nfs/dbraw/zinc/23/05/94/747230594.db2.gz LYLYNNHSSVJBQC-UHFFFAOYSA-N 0 1 361.511 2.601 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039196 747753796 /nfs/dbraw/zinc/75/37/96/747753796.db2.gz BOSBYUZUKRSTOP-JOYOIKCWSA-N 0 1 358.232 2.706 20 10 FFCDMN COc1cccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000846139556 748414722 /nfs/dbraw/zinc/41/47/22/748414722.db2.gz VMRGSMRHYCAJNR-CYBMUJFWSA-N 0 1 364.467 2.502 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(n2cnnn2)CCCCC1 ZINC000846159598 748417265 /nfs/dbraw/zinc/41/72/65/748417265.db2.gz ITQKJVBPMCQEKY-UHFFFAOYSA-N 0 1 370.240 2.661 20 10 FFCDMN COC(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000854473818 750314520 /nfs/dbraw/zinc/31/45/20/750314520.db2.gz FRFHUSGASFCHGR-UHFFFAOYSA-N 0 1 361.225 2.794 20 10 FFCDMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc3ccccc3c1O)C[C@@H]2C(=O)[O-] ZINC001593824596 955083443 /nfs/dbraw/zinc/08/34/43/955083443.db2.gz PJDLOYOMPALQGN-FIWNRLKKSA-N 0 1 369.417 2.631 20 10 FFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275895198 1013153752 /nfs/dbraw/zinc/15/37/52/1013153752.db2.gz YARGWOJKSPBNFN-LIRRHRJNSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275895198 1013153759 /nfs/dbraw/zinc/15/37/59/1013153759.db2.gz YARGWOJKSPBNFN-LIRRHRJNSA-N 0 1 366.889 2.895 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(F)ccc(F)c2[O-])N1CC(F)(F)F ZINC001275957035 1013233186 /nfs/dbraw/zinc/23/31/86/1013233186.db2.gz OUIPYYJJLWOFOS-CHWSQXEVSA-N 0 1 364.314 2.798 20 10 FFCDMN COc1cc(O)c(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000872660087 1013244629 /nfs/dbraw/zinc/24/46/29/1013244629.db2.gz VVWLXZSMOOGGSW-GXTWGEPZSA-N 0 1 366.458 2.897 20 10 FFCDMN CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000872821163 1013269190 /nfs/dbraw/zinc/26/91/90/1013269190.db2.gz SOXZQPRMZBWUNG-OAHLLOKOSA-N 0 1 356.378 2.578 20 10 FFCDMN CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)ccc1O ZINC001276063272 1013388949 /nfs/dbraw/zinc/38/89/49/1013388949.db2.gz CSGQMLNOOLACPR-HZPDHXFCSA-N 0 1 362.445 2.712 20 10 FFCDMN Cc1c(Cl)nc(N(C)C)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431141 963083386 /nfs/dbraw/zinc/08/33/86/963083386.db2.gz JDKJYKVAVOROMS-UHFFFAOYSA-N 0 1 374.920 2.868 20 10 FFCDMN O=C(Cc1[nH]nc2ccccc21)NCc1ccc(N2CCSCC2)cc1 ZINC000050585041 963314850 /nfs/dbraw/zinc/31/48/50/963314850.db2.gz LEOXAPDHOGWHIT-UHFFFAOYSA-N 0 1 366.490 2.975 20 10 FFCDMN O=C1C[C@@]2(CN1C1CCCC1)COCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085697 1013431303 /nfs/dbraw/zinc/43/13/03/1013431303.db2.gz JRPDLGOXJYEARF-HXUWFJFHSA-N 0 1 362.445 2.525 20 10 FFCDMN COc1ccc(N2CCN(C[C@@](C)(O)c3ccccc3)CC2)c(OC)c1 ZINC001175512286 1013497496 /nfs/dbraw/zinc/49/74/96/1013497496.db2.gz JHGKQYNDQMBOSC-OAQYLSRUSA-N 0 1 356.466 2.734 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(COC2)O1 ZINC001167513867 966042580 /nfs/dbraw/zinc/04/25/80/966042580.db2.gz YNWXJQUVLIPOHF-CQSZACIVSA-N 0 1 356.260 2.925 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(COC2)O1 ZINC001167513867 966042593 /nfs/dbraw/zinc/04/25/93/966042593.db2.gz YNWXJQUVLIPOHF-CQSZACIVSA-N 0 1 356.260 2.925 20 10 FFCDMN COc1ccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c(O)c1OC ZINC000892217491 966301269 /nfs/dbraw/zinc/30/12/69/966301269.db2.gz YPSMRXGZBOYYDA-UHFFFAOYSA-N 0 1 362.470 2.776 20 10 FFCDMN COC(=O)c1c(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c2cc(F)ccc2n1C ZINC000895011017 967158060 /nfs/dbraw/zinc/15/80/60/967158060.db2.gz DTQZPTFXLVYACP-GFCCVEGCSA-N 0 1 371.416 2.520 20 10 FFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000728559202 967366694 /nfs/dbraw/zinc/36/66/94/967366694.db2.gz CLHVUXAMYWOUCY-FQEVSTJZSA-N 0 1 358.482 2.801 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000728570043 967568003 /nfs/dbraw/zinc/56/80/03/967568003.db2.gz UXORJMHVRWTSFK-UHFFFAOYSA-N 0 1 367.493 2.517 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCc3ccc(O)cc3CC2)cc1 ZINC000728570043 967568009 /nfs/dbraw/zinc/56/80/09/967568009.db2.gz UXORJMHVRWTSFK-UHFFFAOYSA-N 0 1 367.493 2.517 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178108137 969449482 /nfs/dbraw/zinc/44/94/82/969449482.db2.gz UYNGPKQEEIKBNW-IBGZPJMESA-N 0 1 367.493 2.888 20 10 FFCDMN CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439577 970617361 /nfs/dbraw/zinc/61/73/61/970617361.db2.gz DHQJURMKEFNITF-CVEARBPZSA-N 0 1 361.392 2.675 20 10 FFCDMN CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000896980425 973114040 /nfs/dbraw/zinc/11/40/40/973114040.db2.gz RUJIESHGEZOORC-GOSISDBHSA-N 0 1 372.412 2.522 20 10 FFCDMN COc1ccc(C[N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000897409294 980425580 /nfs/dbraw/zinc/42/55/80/980425580.db2.gz JJZYFPJDLLUZQA-AWEZNQCLSA-N 0 1 366.458 2.851 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)NCCC(C)C)CC2)cc1 ZINC000045578717 984461010 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/nfs/dbraw/zinc/33/89/26/1049338926.db2.gz TXAVLKGMRKOPMY-UHFFFAOYSA-N 0 1 368.886 2.942 20 10 FFCDMN Cc1cc(Cl)cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1N ZINC001303085073 1051273372 /nfs/dbraw/zinc/27/33/72/1051273372.db2.gz MFEBNQKJWLSNSS-UHFFFAOYSA-N 0 1 372.900 2.912 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(O)Cc2ccccc2C1 ZINC001343748103 1052400731 /nfs/dbraw/zinc/40/07/31/1052400731.db2.gz IJTMWZYBJQCQKK-UHFFFAOYSA-N 0 1 352.217 2.845 20 10 FFCDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001308691274 1052487315 /nfs/dbraw/zinc/48/73/15/1052487315.db2.gz AKESTVIESOXXKC-QWRKXWFKSA-N 0 1 373.678 2.894 20 10 FFCDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001308691274 1052487317 /nfs/dbraw/zinc/48/73/17/1052487317.db2.gz AKESTVIESOXXKC-QWRKXWFKSA-N 0 1 373.678 2.894 20 10 FFCDMN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)OCc1ccccc1 ZINC000848921141 1055368497 /nfs/dbraw/zinc/36/84/97/1055368497.db2.gz OUZDMCWEYPKGSQ-GOSISDBHSA-N 0 1 367.493 2.660 20 10 FFCDMN C[C@@H](NC(=O)c1ccccc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC001338359655 1055445658 /nfs/dbraw/zinc/44/56/58/1055445658.db2.gz WGSJYRMLCSPBRR-QGZVFWFLSA-N 0 1 366.509 2.995 20 10 FFCDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC001445883398 1058452736 /nfs/dbraw/zinc/45/27/36/1058452736.db2.gz MXUSBXXQEUQYIK-QANKJYHBSA-N 0 1 366.889 2.941 20 10 FFCDMN Cc1cc(CC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001451750963 1059141948 /nfs/dbraw/zinc/14/19/48/1059141948.db2.gz WLYPIFSEFYANMU-ROUUACIJSA-N 0 1 369.509 2.550 20 10 FFCDMN Cc1nnc2c(N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4[O-])C3)nccn12 ZINC001458172854 1060531755 /nfs/dbraw/zinc/53/17/55/1060531755.db2.gz YJUWDBVXGSIXMZ-HNNXBMFYSA-N 0 1 372.860 2.868 20 10 FFCDMN Cc1nnc2c(N[C@H]3CCC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)nccn12 ZINC001458172854 1060531771 /nfs/dbraw/zinc/53/17/71/1060531771.db2.gz YJUWDBVXGSIXMZ-HNNXBMFYSA-N 0 1 372.860 2.868 20 10 FFCDMN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001462576541 1061679307 /nfs/dbraw/zinc/67/93/07/1061679307.db2.gz KEVFPQBZXUOFQX-MBNYWOFBSA-N 0 1 372.234 2.925 20 10 FFCDMN COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CCC1 ZINC001462610942 1061691422 /nfs/dbraw/zinc/69/14/22/1061691422.db2.gz IJJXNLXOAITSSC-GOSISDBHSA-N 0 1 371.836 2.855 20 10 FFCDMN CC(C)C[C@H]1CN(C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001477634963 1061760207 /nfs/dbraw/zinc/76/02/07/1061760207.db2.gz NBDADPAJQVYZMN-IBGZPJMESA-N 0 1 358.530 2.941 20 10 FFCDMN COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C[C@@H]3CC(C)C)C2)cc1 ZINC001478957747 1062161918 /nfs/dbraw/zinc/16/19/18/1062161918.db2.gz SDQFOKMBJWLKBJ-HKUYNNGSSA-N 0 1 374.529 2.646 20 10 FFCDMN CON(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471191025 1064597615 /nfs/dbraw/zinc/59/76/15/1064597615.db2.gz LRIZHTXAUWNWJQ-UHFFFAOYSA-N 0 1 368.481 2.712 20 10 FFCDMN C[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676487 1079248967 /nfs/dbraw/zinc/24/89/67/1079248967.db2.gz NVVSIRKKLWSXCD-CABCVRRESA-N 0 1 368.481 2.862 20 10 FFCDMN CCc1cccc(CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1O ZINC001560720829 1076294230 /nfs/dbraw/zinc/29/42/30/1076294230.db2.gz LCIVDFPIFXZIGL-HDICACEKSA-N 0 1 373.541 2.577 20 10 FFCDMN COCCCN(Cc1cc(C(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC001560726633 1076294553 /nfs/dbraw/zinc/29/45/53/1076294553.db2.gz YNZATZBEOOICSP-KRWDZBQOSA-N 0 1 355.500 2.541 20 10 FFCDMN C[C@](O)(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116899 512226614 /nfs/dbraw/zinc/22/66/14/512226614.db2.gz HJGPXRGUMKEGCW-LPHOPBHVSA-N 0 1 366.889 2.677 20 10 FFCDMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000054087059 506489031 /nfs/dbraw/zinc/48/90/31/506489031.db2.gz RTXJYSMCUUCJAB-UHFFFAOYSA-N 0 1 359.451 2.911 20 10 FFCDMN CN(C)c1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)cc1F ZINC000377690062 512399672 /nfs/dbraw/zinc/39/96/72/512399672.db2.gz CQIZSXPGXUREJU-UHFFFAOYSA-N 0 1 363.462 2.594 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000377691167 512400643 /nfs/dbraw/zinc/40/06/43/512400643.db2.gz HJTSXNKFCNMWJC-LLVKDONJSA-N 0 1 363.259 2.737 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000377691167 512400647 /nfs/dbraw/zinc/40/06/47/512400647.db2.gz HJTSXNKFCNMWJC-LLVKDONJSA-N 0 1 363.259 2.737 20 10 FFCDMN COc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128940644 508661611 /nfs/dbraw/zinc/66/16/11/508661611.db2.gz IOCSODPIUWVCAE-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN COc1cccc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128940644 508661616 /nfs/dbraw/zinc/66/16/16/508661616.db2.gz IOCSODPIUWVCAE-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182533631 509290680 /nfs/dbraw/zinc/29/06/80/509290680.db2.gz JEJWULBJLQLFAT-HNNXBMFYSA-N 0 1 368.481 2.678 20 10 FFCDMN COc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000179674635 509567564 /nfs/dbraw/zinc/56/75/64/509567564.db2.gz SIVZXLZZIPWLBZ-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN COc1ccc(N2CCN(C(=O)c3cccc4n[nH]cc43)CC2)cc1F ZINC000267964151 509691142 /nfs/dbraw/zinc/69/11/42/509691142.db2.gz MCOMTHLBPAXHDG-UHFFFAOYSA-N 0 1 354.385 2.673 20 10 FFCDMN COc1cc(O)c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000180065263 509733331 /nfs/dbraw/zinc/73/33/31/509733331.db2.gz WGSPGPFDWJPXQH-INIZCTEOSA-N 0 1 356.422 2.647 20 10 FFCDMN COCCN1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000265796765 510233345 /nfs/dbraw/zinc/23/33/45/510233345.db2.gz YDFBVADAGSUPBE-LJQANCHMSA-N 0 1 374.529 2.539 20 10 FFCDMN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000269242667 510304704 /nfs/dbraw/zinc/30/47/04/510304704.db2.gz BXMDSMZDVIIAHL-HNNXBMFYSA-N 0 1 370.472 2.580 20 10 FFCDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178097918 510431590 /nfs/dbraw/zinc/43/15/90/510431590.db2.gz MVILPXLQUYKYQO-KGLIPLIRSA-N 0 1 351.466 2.616 20 10 FFCDMN COCCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185145200 510710831 /nfs/dbraw/zinc/71/08/31/510710831.db2.gz QOBCTSPCIVKIFM-GFCCVEGCSA-N 0 1 357.292 2.916 20 10 FFCDMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024168 511255481 /nfs/dbraw/zinc/25/54/81/511255481.db2.gz HRJUJBKEIUHXGQ-KBPBESRZSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024168 511255484 /nfs/dbraw/zinc/25/54/84/511255484.db2.gz HRJUJBKEIUHXGQ-KBPBESRZSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024178 511255639 /nfs/dbraw/zinc/25/56/39/511255639.db2.gz HRJUJBKEIUHXGQ-ZIAGYGMSSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024178 511255644 /nfs/dbraw/zinc/25/56/44/511255644.db2.gz HRJUJBKEIUHXGQ-ZIAGYGMSSA-N 0 1 350.434 2.964 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000274877163 511972533 /nfs/dbraw/zinc/97/25/33/511972533.db2.gz GXIKPHLMMZFFLM-GDBMZVCRSA-N 0 1 358.276 2.983 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(OCC3CC3)CC2)cc1 ZINC000360017059 512062801 /nfs/dbraw/zinc/06/28/01/512062801.db2.gz CFJIULWAEFNOJD-UHFFFAOYSA-N 0 1 359.514 2.602 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717897 512470152 /nfs/dbraw/zinc/47/01/52/512470152.db2.gz IOCJYTDEMMTQKA-ZDUSSCGKSA-N 0 1 373.413 2.684 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2cnn(C)c2)C1 ZINC000435875466 513705980 /nfs/dbraw/zinc/70/59/80/513705980.db2.gz CWZUSIWLXDCSCI-UHFFFAOYSA-N 0 1 365.481 2.804 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H](C)C2)C1 ZINC000435908102 513712929 /nfs/dbraw/zinc/71/29/29/513712929.db2.gz NBKIZWVDLFUDFF-QGZVFWFLSA-N 0 1 369.509 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSCC2)C1 ZINC000444035973 514105521 /nfs/dbraw/zinc/10/55/21/514105521.db2.gz KSEFZVFRLMZUFX-UHFFFAOYSA-N 0 1 357.523 2.983 20 10 FFCDMN COC[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000498830682 515080496 /nfs/dbraw/zinc/08/04/96/515080496.db2.gz QFQKXLFUKBSNQT-MRXNPFEDSA-N 0 1 355.482 2.655 20 10 FFCDMN CCC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)COC1 ZINC000456486442 515214444 /nfs/dbraw/zinc/21/44/44/515214444.db2.gz MOKXCTZHNKNPQY-UHFFFAOYSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2CSC2)C1 ZINC000616050592 521611777 /nfs/dbraw/zinc/61/17/77/521611777.db2.gz CUCLPULJJZYZQB-UHFFFAOYSA-N 0 1 357.523 2.887 20 10 FFCDMN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714824 600986402 /nfs/dbraw/zinc/98/64/02/600986402.db2.gz ZDGNURKVAPTGNC-WRLNGNIRSA-N 0 1 359.426 2.861 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1O ZINC000833897409 605996357 /nfs/dbraw/zinc/99/63/57/605996357.db2.gz KEBLQMWGUXJOOI-GHMZBOCLSA-N 0 1 357.248 2.941 20 10 FFCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521548 /nfs/dbraw/zinc/52/15/48/608521548.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N 0 1 374.788 2.766 20 10 FFCDMN COc1ccc2ccc(O)c(CN(C)CC(C)(C)S(C)(=O)=O)c2c1 ZINC000161035181 728928379 /nfs/dbraw/zinc/92/83/79/728928379.db2.gz RJFUEAACKPZYFE-UHFFFAOYSA-N 0 1 351.468 2.809 20 10 FFCDMN Cn1cc([C@]2(C[NH2+]Cc3ccc(Br)cc3[O-])CCCO2)cn1 ZINC000898052540 735307510 /nfs/dbraw/zinc/30/75/10/735307510.db2.gz JEXOGRYCVRGPFL-MRXNPFEDSA-N 0 1 366.259 2.684 20 10 FFCDMN CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000036933203 727932279 /nfs/dbraw/zinc/93/22/79/727932279.db2.gz RIVDVTXRLKBLIJ-WFASDCNBSA-N 0 1 357.292 2.916 20 10 FFCDMN COc1ccccc1C[N@@H+](CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091790338 728462320 /nfs/dbraw/zinc/46/23/20/728462320.db2.gz STQZSSAFDRNSEL-UHFFFAOYSA-N 0 1 366.801 2.957 20 10 FFCDMN O=C(NCCCSc1nccs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000114139917 728559003 /nfs/dbraw/zinc/55/90/03/728559003.db2.gz NGMRLXBMRVTQGD-UHFFFAOYSA-N 0 1 363.424 2.840 20 10 FFCDMN CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000121153049 728621423 /nfs/dbraw/zinc/62/14/23/728621423.db2.gz BYHSUTQZTJYYQQ-UHFFFAOYSA-N 0 1 363.801 2.945 20 10 FFCDMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000184964917 729337914 /nfs/dbraw/zinc/33/79/14/729337914.db2.gz GYXPFNNFNYOBSQ-LBPRGKRZSA-N 0 1 352.431 2.632 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000382768194 729835337 /nfs/dbraw/zinc/83/53/37/729835337.db2.gz AKJKTASLWSEBAP-CQSZACIVSA-N 0 1 356.850 2.771 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@@H](O)COc2ccc(F)cc2)cc1F ZINC000858107750 730416802 /nfs/dbraw/zinc/41/68/02/730416802.db2.gz XFPOPBXHZOBXRN-CQSZACIVSA-N 0 1 354.372 2.699 20 10 FFCDMN CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858137955 730417585 /nfs/dbraw/zinc/41/75/85/730417585.db2.gz JGLFOEVPARRPJF-RYUDHWBXSA-N 0 1 355.276 2.891 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000858170185 730418580 /nfs/dbraw/zinc/41/85/80/730418580.db2.gz IUNCGEIGMPFLCH-ZDUSSCGKSA-N 0 1 354.219 2.987 20 10 FFCDMN FC(F)(F)[C@@H](CNCc1ccc(N2CCOCC2)cc1)n1cccn1 ZINC000858209559 730419783 /nfs/dbraw/zinc/41/97/83/730419783.db2.gz OFOLFNJLKHAZHR-MRXNPFEDSA-N 0 1 354.376 2.613 20 10 FFCDMN Cc1cc(Br)cc([C@H](C)N[C@H](CO)c2ccnn2C)c1O ZINC000858434320 730425687 /nfs/dbraw/zinc/42/56/87/730425687.db2.gz FANOMCOGZBAIOS-GXFFZTMASA-N 0 1 354.248 2.581 20 10 FFCDMN CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000858434659 730425702 /nfs/dbraw/zinc/42/57/02/730425702.db2.gz MIMXYIRFNQSCJF-STQMWFEESA-N 0 1 354.248 2.663 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000859042344 730440337 /nfs/dbraw/zinc/44/03/37/730440337.db2.gz HNXSPNSAQNEUNS-CYBMUJFWSA-N 0 1 372.252 2.652 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253061 730682685 /nfs/dbraw/zinc/68/26/85/730682685.db2.gz KPYHHMLHQAEWJS-SMDDNHRTSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253061 730682686 /nfs/dbraw/zinc/68/26/86/730682686.db2.gz KPYHHMLHQAEWJS-SMDDNHRTSA-N 0 1 353.260 2.645 20 10 FFCDMN CN(C)c1cc(F)c(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000862331830 730689026 /nfs/dbraw/zinc/68/90/26/730689026.db2.gz ATIWBBUTVOYVRG-SNVBAGLBSA-N 0 1 365.346 2.531 20 10 FFCDMN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(Br)cc2[O-])c[nH]1 ZINC000862527470 730706609 /nfs/dbraw/zinc/70/66/09/730706609.db2.gz OZKYOXNQHRJYMJ-CJNGLKHVSA-N 0 1 365.227 2.875 20 10 FFCDMN COCCc1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000865632938 730979741 /nfs/dbraw/zinc/97/97/41/730979741.db2.gz VQOGVWZICZPZCQ-UHFFFAOYSA-N 0 1 361.511 2.583 20 10 FFCDMN CCOC(=O)c1cc(CNCc2cc(Br)ccc2O)on1 ZINC000865764482 730994890 /nfs/dbraw/zinc/99/48/90/730994890.db2.gz BPLTZFQREAFKQM-UHFFFAOYSA-N 0 1 355.188 2.609 20 10 FFCDMN CN(C)S(=O)(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922158894 738099196 /nfs/dbraw/zinc/09/91/96/738099196.db2.gz LLVOVFNBXUYCDL-UHFFFAOYSA-N 0 1 360.479 2.552 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)CC1 ZINC000871602360 731649083 /nfs/dbraw/zinc/64/90/83/731649083.db2.gz RDDIVOXJZKIFKM-LFIBNONCSA-N 0 1 370.503 2.925 20 10 FFCDMN CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877496084 732372985 /nfs/dbraw/zinc/37/29/85/732372985.db2.gz MGZQTCPLUCJPAZ-CYBMUJFWSA-N 0 1 350.365 2.783 20 10 FFCDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798921 732434474 /nfs/dbraw/zinc/43/44/74/732434474.db2.gz GDZXAOMESKDNMR-BZUAXINKSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(Nc1nncs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731853241 734701264 /nfs/dbraw/zinc/70/12/64/734701264.db2.gz ZRTULKBBCQEDPD-LBPRGKRZSA-N 0 1 367.862 2.683 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3=CC(=O)CS3)cc2F)CC1 ZINC000732289485 734730825 /nfs/dbraw/zinc/73/08/25/734730825.db2.gz SDHKDXKASGQYJY-UHFFFAOYSA-N 0 1 363.458 2.665 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000894737970 734907702 /nfs/dbraw/zinc/90/77/02/734907702.db2.gz LSVUSOMPBFSOEB-HNNXBMFYSA-N 0 1 360.223 2.675 20 10 FFCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895228164 734976371 /nfs/dbraw/zinc/97/63/71/734976371.db2.gz JFBRSUALRVTPBK-SNVBAGLBSA-N 0 1 371.666 2.922 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677108 735039732 /nfs/dbraw/zinc/03/97/32/735039732.db2.gz HPCGACPDWNKUFQ-VIFPVBQESA-N 0 1 364.108 2.803 20 10 FFCDMN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825392 735996294 /nfs/dbraw/zinc/99/62/94/735996294.db2.gz MQMDEJIGVQMAGC-CHWSQXEVSA-N 0 1 351.401 2.736 20 10 FFCDMN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000754155591 736131333 /nfs/dbraw/zinc/13/13/33/736131333.db2.gz YKAUSPUTLFOYPS-BSEYFRJRSA-N 0 1 371.865 2.707 20 10 FFCDMN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000754152971 736131379 /nfs/dbraw/zinc/13/13/79/736131379.db2.gz BYGDSLHHJIWQCF-OWJWWREXSA-N 0 1 371.865 2.707 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(Br)cc1[O-] ZINC000756732054 736356354 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FFCDMN C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980912 742226691 /nfs/dbraw/zinc/22/66/91/742226691.db2.gz FPYQQJSZWJUXBR-ONGXEEELSA-N 0 1 363.683 2.837 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000790411741 739449772 /nfs/dbraw/zinc/44/97/72/739449772.db2.gz PZRHERIVMVYVRG-UHFFFAOYSA-N 0 1 368.367 2.509 20 10 FFCDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931298 739515577 /nfs/dbraw/zinc/51/55/77/739515577.db2.gz GGYZSOIRTRTDAX-OHUAYANFSA-N 0 1 356.806 2.722 20 10 FFCDMN CN(C)c1ccc(CNC(C)(C)CS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000793078172 739737724 /nfs/dbraw/zinc/73/77/24/739737724.db2.gz JGOKQBRWOVITMQ-UHFFFAOYSA-N 0 1 352.422 2.684 20 10 FFCDMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(F)cc1C ZINC000795275482 739994492 /nfs/dbraw/zinc/99/44/92/739994492.db2.gz FEFJBCPYGKSUSS-UHFFFAOYSA-N 0 1 353.371 2.817 20 10 FFCDMN O=S(=O)(CC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805136037 740944026 /nfs/dbraw/zinc/94/40/26/740944026.db2.gz ZICHYZNKXKMBCI-UHFFFAOYSA-N 0 1 354.255 2.545 20 10 FFCDMN O=S(=O)(CC[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805135976 740944044 /nfs/dbraw/zinc/94/40/44/740944044.db2.gz XTBKTBMIWPKCKS-LLVKDONJSA-N 0 1 354.255 2.688 20 10 FFCDMN NC(=O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806424049 741058593 /nfs/dbraw/zinc/05/85/93/741058593.db2.gz YTYWZWJEENPSIM-UHFFFAOYSA-N 0 1 368.220 2.797 20 10 FFCDMN Cn1[nH]cc2c(=NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccnc1-2 ZINC000806495209 741064528 /nfs/dbraw/zinc/06/45/28/741064528.db2.gz NLUZEKCGMDLQMA-UHFFFAOYSA-N 0 1 366.208 2.676 20 10 FFCDMN CC(C)[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCCC1=O ZINC000807837554 741162972 /nfs/dbraw/zinc/16/29/72/741162972.db2.gz VHBISZUIGFSUHU-CQSZACIVSA-N 0 1 359.253 2.962 20 10 FFCDMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113494 741187993 /nfs/dbraw/zinc/18/79/93/741187993.db2.gz AYBWLORAIBNSAL-UHFFFAOYSA-N 0 1 372.805 2.968 20 10 FFCDMN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809688633 741331614 /nfs/dbraw/zinc/33/16/14/741331614.db2.gz NLRAISQZHAEBER-IBGZPJMESA-N 0 1 365.543 2.533 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c[nH]1 ZINC000815835136 741964397 /nfs/dbraw/zinc/96/43/97/741964397.db2.gz KVVJZLNTVKNRGT-CQSZACIVSA-N 0 1 351.809 2.907 20 10 FFCDMN COc1ccc(N2CCCN(Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000816495407 742034510 /nfs/dbraw/zinc/03/45/10/742034510.db2.gz WEHVARHEXJQZGJ-UHFFFAOYSA-N 0 1 350.413 2.869 20 10 FFCDMN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816591838 742045301 /nfs/dbraw/zinc/04/53/01/742045301.db2.gz PINDEFNIHGBUMN-OWJWWREXSA-N 0 1 371.865 2.707 20 10 FFCDMN CN(C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1)S(C)(=O)=O ZINC000816607720 742046683 /nfs/dbraw/zinc/04/66/83/742046683.db2.gz CSORIDZJAHLDHM-OAHLLOKOSA-N 0 1 362.495 2.649 20 10 FFCDMN CN(C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1)S(C)(=O)=O ZINC000816607720 742046687 /nfs/dbraw/zinc/04/66/87/742046687.db2.gz CSORIDZJAHLDHM-OAHLLOKOSA-N 0 1 362.495 2.649 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000825391592 743261740 /nfs/dbraw/zinc/26/17/40/743261740.db2.gz YNRUUWCXFQJBGN-NVXWUHKLSA-N 0 1 366.255 2.729 20 10 FFCDMN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826083526 743366086 /nfs/dbraw/zinc/36/60/86/743366086.db2.gz IYDQVNUIAJFBPG-CJNGLKHVSA-N 0 1 366.259 2.898 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000826903336 743467347 /nfs/dbraw/zinc/46/73/47/743467347.db2.gz PJTMENVVURKSIF-GLQYFDAESA-N 0 1 358.276 2.810 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827132316 743515003 /nfs/dbraw/zinc/51/50/03/743515003.db2.gz KWVAVDGSXNIYLK-RISCZKNCSA-N 0 1 353.260 2.564 20 10 FFCDMN C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000834890777 745920505 /nfs/dbraw/zinc/92/05/05/745920505.db2.gz PRJNRPYNHQTYRJ-AWEZNQCLSA-N 0 1 363.479 2.790 20 10 FFCDMN C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000834891110 745920674 /nfs/dbraw/zinc/92/06/74/745920674.db2.gz PRJNRPYNHQTYRJ-CQSZACIVSA-N 0 1 363.479 2.790 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2Cl)C1 ZINC000839758761 746912816 /nfs/dbraw/zinc/91/28/16/746912816.db2.gz YOAFJIRTDKAWMH-AXAPSJFSSA-N 0 1 351.834 2.858 20 10 FFCDMN Cc1cc(O)c(CNCc2ccccc2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000840876285 747209187 /nfs/dbraw/zinc/20/91/87/747209187.db2.gz URQWJZYKBJSSBH-UHFFFAOYSA-N 0 1 368.886 2.894 20 10 FFCDMN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000840888145 747213036 /nfs/dbraw/zinc/21/30/36/747213036.db2.gz AIRZOBUPVGPIFN-JTQLQIEISA-N 0 1 350.278 2.630 20 10 FFCDMN COCCCNC(=O)C1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840912006 747222368 /nfs/dbraw/zinc/22/23/68/747222368.db2.gz WWYCUFFHHXEBLK-UHFFFAOYSA-N 0 1 354.878 2.719 20 10 FFCDMN Cc1cc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840943229 747236838 /nfs/dbraw/zinc/23/68/38/747236838.db2.gz XCQOALFOMMNWOB-UHFFFAOYSA-N 0 1 372.918 2.744 20 10 FFCDMN Cc1cc([O-])c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840943229 747236840 /nfs/dbraw/zinc/23/68/40/747236840.db2.gz XCQOALFOMMNWOB-UHFFFAOYSA-N 0 1 372.918 2.744 20 10 FFCDMN CCn1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000843832958 747906930 /nfs/dbraw/zinc/90/69/30/747906930.db2.gz ZDBKKYQOOVBXES-OAHLLOKOSA-N 0 1 362.861 2.656 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[O-] ZINC000848930689 749037345 /nfs/dbraw/zinc/03/73/45/749037345.db2.gz VJEBGDKHBVVDHJ-OAHLLOKOSA-N 0 1 369.849 2.641 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000850354100 749350419 /nfs/dbraw/zinc/35/04/19/749350419.db2.gz VOBLKBMLPQBIAE-NILFDRSVSA-N 0 1 358.276 2.810 20 10 FFCDMN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000850354097 749350560 /nfs/dbraw/zinc/35/05/60/749350560.db2.gz VOBLKBMLPQBIAE-DFBGVHRSSA-N 0 1 358.276 2.810 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FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333735422 1049090339 /nfs/dbraw/zinc/09/03/39/1049090339.db2.gz ZOEXMMHXWOUPKT-CQSZACIVSA-N 0 1 356.260 2.518 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333735422 1049090351 /nfs/dbraw/zinc/09/03/51/1049090351.db2.gz ZOEXMMHXWOUPKT-CQSZACIVSA-N 0 1 356.260 2.518 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC001293185860 1049507260 /nfs/dbraw/zinc/50/72/60/1049507260.db2.gz HDSLEUFIIJQJPA-UHFFFAOYSA-N 0 1 367.344 2.703 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC001293185860 1049507274 /nfs/dbraw/zinc/50/72/74/1049507274.db2.gz HDSLEUFIIJQJPA-UHFFFAOYSA-N 0 1 367.344 2.703 20 10 FFCDMN O=C(c1coc([C@@H]2CCCN2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001341690217 1050312248 /nfs/dbraw/zinc/31/22/48/1050312248.db2.gz VOUYMCXTIMGSPH-HOTGVXAUSA-N 0 1 371.437 2.626 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](N)Cc1ccccn1 ZINC001341225746 1051585372 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FFCDMN COC(=O)NCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001200499800 1058380384 /nfs/dbraw/zinc/38/03/84/1058380384.db2.gz IQVCNBGVRONFSO-UHFFFAOYSA-N 0 1 368.481 2.907 20 10 FFCDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC001445883371 1058452527 /nfs/dbraw/zinc/45/25/27/1058452527.db2.gz MXUSBXXQEUQYIK-FDQGKXFDSA-N 0 1 366.889 2.941 20 10 FFCDMN CS(=O)(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)co1 ZINC001450719839 1059045157 /nfs/dbraw/zinc/04/51/57/1059045157.db2.gz DAORNEDIGSNEEW-UHFFFAOYSA-N 0 1 364.206 2.626 20 10 FFCDMN COC(=O)/C=C\c1ccc(N2CCN(C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458558835 1060624150 /nfs/dbraw/zinc/62/41/50/1060624150.db2.gz YDFHBOBIBLLOHI-KMDWOBIYSA-N 0 1 361.442 2.948 20 10 FFCDMN CCN1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@@H]1C ZINC001476768230 1061475622 /nfs/dbraw/zinc/47/56/22/1061475622.db2.gz YTGDAQQALAQJHG-HNNXBMFYSA-N 0 1 364.453 2.954 20 10 FFCDMN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001462492868 1061644461 /nfs/dbraw/zinc/64/44/61/1061644461.db2.gz DBVOOMDCNXNIOE-UHFFFAOYSA-N 0 1 360.401 2.644 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(CC(C)C)CC1 ZINC001470555539 1064363109 /nfs/dbraw/zinc/36/31/09/1064363109.db2.gz GMSINZKWGXBFMG-SFHVURJKSA-N 0 1 360.546 2.975 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC001585443748 1079463999 /nfs/dbraw/zinc/46/39/99/1079463999.db2.gz FHGKTLNBUOJBOB-UHFFFAOYSA-N 0 1 365.433 2.745 20 10 FFCDMN C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693471 1076291908 /nfs/dbraw/zinc/29/19/08/1076291908.db2.gz JDZKQBNGXPGGHP-DTWKUNHWSA-N 0 1 361.667 2.894 20 10 FFCDMN O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560860005 1076304926 /nfs/dbraw/zinc/30/49/26/1076304926.db2.gz YTKKJOZPFPBLSX-UHFFFAOYSA-N 0 1 357.635 2.760 20 10 FFCDMN CCN(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000068420331 507223856 /nfs/dbraw/zinc/22/38/56/507223856.db2.gz JLOPHVFDWOSCIK-OAQYLSRUSA-N 0 1 367.493 2.832 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)c3occc3C)CC2)cc1 ZINC000028064923 507706499 /nfs/dbraw/zinc/70/64/99/507706499.db2.gz ZBFZZYFESFOTKM-UHFFFAOYSA-N 0 1 357.454 2.539 20 10 FFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(N2CCOCC2)CCCC1 ZINC000072540709 507804628 /nfs/dbraw/zinc/80/46/28/507804628.db2.gz VFYSCGWGQQJDRD-UHFFFAOYSA-N 0 1 373.497 2.513 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000367163610 512365670 /nfs/dbraw/zinc/36/56/70/512365670.db2.gz LARMIHRXCVNMAH-OAQYLSRUSA-N 0 1 357.450 2.936 20 10 FFCDMN COc1cccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000093359085 508142550 /nfs/dbraw/zinc/14/25/50/508142550.db2.gz BKODKTKEPABKKE-UHFFFAOYSA-N 0 1 367.449 2.640 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccco3)cc2F)CC1 ZINC000106506577 508401179 /nfs/dbraw/zinc/40/11/79/508401179.db2.gz DSQLSBHRMUJTRO-UHFFFAOYSA-N 0 1 360.433 2.560 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125788067 509029616 /nfs/dbraw/zinc/02/96/16/509029616.db2.gz ZHQRNVACAKVROQ-WBMJQRKESA-N 0 1 350.846 2.739 20 10 FFCDMN Cc1cc2c[nH]nc2c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000263994346 509269968 /nfs/dbraw/zinc/26/99/68/509269968.db2.gz PBJKOQNHYFEBFB-UHFFFAOYSA-N 0 1 364.449 2.980 20 10 FFCDMN COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000264604570 509618928 /nfs/dbraw/zinc/61/89/28/509618928.db2.gz LEMAZCUAHIJVFM-AWEZNQCLSA-N 0 1 358.438 2.719 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000186374991 509678122 /nfs/dbraw/zinc/67/81/22/509678122.db2.gz CJRTUTFOKYELDC-DGCLKSJQSA-N 0 1 372.259 2.727 20 10 FFCDMN Cc1cccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000180206970 509811687 /nfs/dbraw/zinc/81/16/87/509811687.db2.gz HYINVSZNBDBLFT-UHFFFAOYSA-N 0 1 351.450 2.940 20 10 FFCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393591 509901090 /nfs/dbraw/zinc/90/10/90/509901090.db2.gz KYIUTBHQIGFBPP-OAHLLOKOSA-N 0 1 370.453 2.970 20 10 FFCDMN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393576 509901866 /nfs/dbraw/zinc/90/18/66/509901866.db2.gz KYIUTBHQIGFBPP-HNNXBMFYSA-N 0 1 370.453 2.970 20 10 FFCDMN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000185318174 510802779 /nfs/dbraw/zinc/80/27/79/510802779.db2.gz MNQUQRAQRZQHRN-SKDRFNHKSA-N 0 1 351.248 2.720 20 10 FFCDMN CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277590126 510967599 /nfs/dbraw/zinc/96/75/99/510967599.db2.gz UCNDIYRIPGZOPD-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277590126 510967603 /nfs/dbraw/zinc/96/76/03/510967603.db2.gz UCNDIYRIPGZOPD-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN COc1c([O-])c(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278539842 510997341 /nfs/dbraw/zinc/99/73/41/510997341.db2.gz WZVXNGLZBMPINX-UHFFFAOYSA-N 0 1 373.409 2.963 20 10 FFCDMN O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000278781398 511007686 /nfs/dbraw/zinc/00/76/86/511007686.db2.gz OIDKGAROJVRLBP-INIZCTEOSA-N 0 1 360.479 2.545 20 10 FFCDMN COc1cc(O)c(CNCc2ccncc2OC[C@H]2CCOC2)cc1OC ZINC000289222621 511095661 /nfs/dbraw/zinc/09/56/61/511095661.db2.gz ADAAZIGZLZJPAJ-AWEZNQCLSA-N 0 1 374.437 2.510 20 10 FFCDMN Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000280031851 511311888 /nfs/dbraw/zinc/31/18/88/511311888.db2.gz VZUSIGMTIMLOOA-HOCLYGCPSA-N 0 1 366.868 2.824 20 10 FFCDMN CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)ccc1[O-] ZINC000280832690 511621054 /nfs/dbraw/zinc/62/10/54/511621054.db2.gz LDPOLFPVHZUICW-SNVBAGLBSA-N 0 1 351.191 2.577 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162957 511640458 /nfs/dbraw/zinc/64/04/58/511640458.db2.gz YWMXSJYFKOZQJW-UWJYYQICSA-N 0 1 360.498 2.682 20 10 FFCDMN COC1CCN(c2ccc(CN3CCO[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162957 511640464 /nfs/dbraw/zinc/64/04/64/511640464.db2.gz YWMXSJYFKOZQJW-UWJYYQICSA-N 0 1 360.498 2.682 20 10 FFCDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000299454348 511641957 /nfs/dbraw/zinc/64/19/57/511641957.db2.gz UPDDEKQREHWFMK-UHFFFAOYSA-N 0 1 357.414 2.889 20 10 FFCDMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120867 512027728 /nfs/dbraw/zinc/02/77/28/512027728.db2.gz YNEPZUWGTCYHMZ-QZTJIDSGSA-N 0 1 351.450 2.941 20 10 FFCDMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120867 512027732 /nfs/dbraw/zinc/02/77/32/512027732.db2.gz YNEPZUWGTCYHMZ-QZTJIDSGSA-N 0 1 351.450 2.941 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680466 512612501 /nfs/dbraw/zinc/61/25/01/512612501.db2.gz AJLFQXZEOUZIAB-KBPBESRZSA-N 0 1 350.415 2.948 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CCOCC2)C1 ZINC000435496809 513604593 /nfs/dbraw/zinc/60/45/93/513604593.db2.gz UTASAQNCTKDMKG-UHFFFAOYSA-N 0 1 355.482 2.703 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COCC2(C)C)C1 ZINC000456532748 515239919 /nfs/dbraw/zinc/23/99/19/515239919.db2.gz FHCVERUUCHEDFJ-HXUWFJFHSA-N 0 1 369.509 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOCC23CC3)C1 ZINC000554974296 516728989 /nfs/dbraw/zinc/72/89/89/516728989.db2.gz LEFGUZQQGCHGSA-UHFFFAOYSA-N 0 1 367.493 2.799 20 10 FFCDMN CC[C@@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)OC ZINC000570490639 518631741 /nfs/dbraw/zinc/63/17/41/518631741.db2.gz IIOCTMFANOHJFD-INIZCTEOSA-N 0 1 357.498 2.949 20 10 FFCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825966320 607482453 /nfs/dbraw/zinc/48/24/53/607482453.db2.gz XXAFMOQJPNYVEF-UHFFFAOYSA-N 0 1 363.469 2.884 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825966320 607482455 /nfs/dbraw/zinc/48/24/55/607482455.db2.gz XXAFMOQJPNYVEF-UHFFFAOYSA-N 0 1 363.469 2.884 20 10 FFCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825966320 607482457 /nfs/dbraw/zinc/48/24/57/607482457.db2.gz XXAFMOQJPNYVEF-UHFFFAOYSA-N 0 1 363.469 2.884 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825966320 607482459 /nfs/dbraw/zinc/48/24/59/607482459.db2.gz XXAFMOQJPNYVEF-UHFFFAOYSA-N 0 1 363.469 2.884 20 10 FFCDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000827948803 601762115 /nfs/dbraw/zinc/76/21/15/601762115.db2.gz DXZYTLSADQRQKD-OAHLLOKOSA-N 0 1 356.422 2.546 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1O ZINC000833896943 605655287 /nfs/dbraw/zinc/65/52/87/605655287.db2.gz BRYMMHIUTKPBRL-MNOVXSKESA-N 0 1 357.248 2.941 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1[O-] ZINC000824010358 608533045 /nfs/dbraw/zinc/53/30/45/608533045.db2.gz KGLUEGWIKQSGEZ-UHFFFAOYSA-N 0 1 367.384 2.693 20 10 FFCDMN Cn1cc([C@]2(C[NH2+]Cc3c([O-])cccc3Br)CCCO2)cn1 ZINC000898051295 735307398 /nfs/dbraw/zinc/30/73/98/735307398.db2.gz BGOZWFKQFHLDRP-MRXNPFEDSA-N 0 1 366.259 2.684 20 10 FFCDMN CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CC(F)F ZINC000093767110 728477643 /nfs/dbraw/zinc/47/76/43/728477643.db2.gz QQOSOPBEONOYNT-KRWDZBQOSA-N 0 1 353.457 2.685 20 10 FFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000121323065 728624507 /nfs/dbraw/zinc/62/45/07/728624507.db2.gz OMPOKKZZRYSJJZ-RUZDIDTESA-N 0 1 358.507 2.893 20 10 FFCDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(F)ccc2O)s1 ZINC000779060346 738432844 /nfs/dbraw/zinc/43/28/44/738432844.db2.gz LCOXBDNJKPFJTP-UHFFFAOYSA-N 0 1 372.487 2.913 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000856592553 730346751 /nfs/dbraw/zinc/34/67/51/730346751.db2.gz KBVSGXKJOIIIGZ-QGZVFWFLSA-N 0 1 351.834 2.561 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000856592553 730346753 /nfs/dbraw/zinc/34/67/53/730346753.db2.gz KBVSGXKJOIIIGZ-QGZVFWFLSA-N 0 1 351.834 2.561 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000856596201 730346911 /nfs/dbraw/zinc/34/69/11/730346911.db2.gz AFDXMOSCEBFVSX-SFHVURJKSA-N 0 1 365.861 2.869 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000856596201 730346912 /nfs/dbraw/zinc/34/69/12/730346912.db2.gz AFDXMOSCEBFVSX-SFHVURJKSA-N 0 1 365.861 2.869 20 10 FFCDMN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858137956 730417510 /nfs/dbraw/zinc/41/75/10/730417510.db2.gz JGLFOEVPARRPJF-VXGBXAGGSA-N 0 1 355.276 2.891 20 10 FFCDMN CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000858434656 730425676 /nfs/dbraw/zinc/42/56/76/730425676.db2.gz MIMXYIRFNQSCJF-CHWSQXEVSA-N 0 1 354.248 2.663 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603951 730429738 /nfs/dbraw/zinc/42/97/38/730429738.db2.gz YIJCFMPQAJOFBO-QMTHXVAHSA-N 0 1 353.260 2.959 20 10 FFCDMN O=C(NC1CC[NH+](Cc2c([O-])cccc2Br)CC1)C1CC1 ZINC000862215572 730676917 /nfs/dbraw/zinc/67/69/17/730676917.db2.gz LKWMJKPBBVRXSA-UHFFFAOYSA-N 0 1 353.260 2.645 20 10 FFCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC000862249231 730681662 /nfs/dbraw/zinc/68/16/62/730681662.db2.gz IQLXTFRVFBEWFH-UHFFFAOYSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC000862249231 730681663 /nfs/dbraw/zinc/68/16/63/730681663.db2.gz IQLXTFRVFBEWFH-UHFFFAOYSA-N 0 1 372.259 2.699 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048063 732001239 /nfs/dbraw/zinc/00/12/39/732001239.db2.gz IBQWREKBWHMJQJ-WDEREUQCSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048063 732001242 /nfs/dbraw/zinc/00/12/42/732001242.db2.gz IBQWREKBWHMJQJ-WDEREUQCSA-N 0 1 367.808 2.609 20 10 FFCDMN CCOC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])[nH]1 ZINC000877520713 732379249 /nfs/dbraw/zinc/37/92/49/732379249.db2.gz GCRBLLHSTQZWJA-UHFFFAOYSA-N 0 1 353.216 2.949 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877674844 732409979 /nfs/dbraw/zinc/40/99/79/732409979.db2.gz NLPPMFFNIZWORH-LLVKDONJSA-N 0 1 365.153 2.639 20 10 FFCDMN C[N@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(Br)cc1[O-] ZINC000877766931 732426327 /nfs/dbraw/zinc/42/63/27/732426327.db2.gz PUKUXQBWWLGREM-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(Br)cc1[O-] ZINC000877766931 732426330 /nfs/dbraw/zinc/42/63/30/732426330.db2.gz PUKUXQBWWLGREM-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000926953960 738672693 /nfs/dbraw/zinc/67/26/93/738672693.db2.gz RIYPOXCRGJMAOC-JTQLQIEISA-N 0 1 364.305 2.876 20 10 FFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Br)cc1[O-] ZINC000927038856 738684734 /nfs/dbraw/zinc/68/47/34/738684734.db2.gz GZTQBHSBPPOTSS-NSNUZPRRSA-N 0 1 374.300 2.914 20 10 FFCDMN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3c([O-])cccc3Br)O2)CO1 ZINC000886329295 733774263 /nfs/dbraw/zinc/77/42/63/733774263.db2.gz CBAOOPRWDYXLLL-WQGACYEGSA-N 0 1 356.260 2.971 20 10 FFCDMN CC[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074798 734362531 /nfs/dbraw/zinc/36/25/31/734362531.db2.gz GGURMUUWXKJRSU-UHFFFAOYSA-N 0 1 370.696 2.675 20 10 FFCDMN CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074798 734362535 /nfs/dbraw/zinc/36/25/35/734362535.db2.gz GGURMUUWXKJRSU-UHFFFAOYSA-N 0 1 370.696 2.675 20 10 FFCDMN CC[C@@H](C)NC(=S)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730156793 734618710 /nfs/dbraw/zinc/61/87/10/734618710.db2.gz NBQKTLLLNAYQRR-CQSZACIVSA-N 0 1 352.523 2.730 20 10 FFCDMN COc1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1OC ZINC000893641298 734731116 /nfs/dbraw/zinc/73/11/16/734731116.db2.gz TZGDWSJSRAXJIC-MRXNPFEDSA-N 0 1 363.376 2.935 20 10 FFCDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893865139 734764022 /nfs/dbraw/zinc/76/40/22/734764022.db2.gz HYKBRJLCLBGKQZ-LLVKDONJSA-N 0 1 359.239 2.642 20 10 FFCDMN Oc1c(Br)cc(Cl)cc1CN1CCOC[C@@]12CCOC2 ZINC000894661967 734897628 /nfs/dbraw/zinc/89/76/28/734897628.db2.gz HLUKADSZVQANKT-AWEZNQCLSA-N 0 1 362.651 2.799 20 10 FFCDMN Cn1nccc1[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000895149504 734968675 /nfs/dbraw/zinc/96/86/75/734968675.db2.gz JDMKTTIFGWDRAW-AWEZNQCLSA-N 0 1 370.222 2.601 20 10 FFCDMN C[C@@H]1CN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)O1 ZINC000895568432 735024824 /nfs/dbraw/zinc/02/48/24/735024824.db2.gz UWOLDAXEXHEIST-VXGBXAGGSA-N 0 1 364.467 2.542 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2n[nH]cc2Br)c1[O-] ZINC000738431363 735033152 /nfs/dbraw/zinc/03/31/52/735033152.db2.gz PICKWCLSZVOOGH-UHFFFAOYSA-N 0 1 361.583 2.729 20 10 FFCDMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000740701129 735081627 /nfs/dbraw/zinc/08/16/27/735081627.db2.gz TWQJDBHVVZQSJX-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)no1 ZINC000896229350 735122118 /nfs/dbraw/zinc/12/21/18/735122118.db2.gz BSYFPHLFBRXKAB-SECBINFHSA-N 0 1 356.195 2.975 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395421 735152797 /nfs/dbraw/zinc/15/27/97/735152797.db2.gz IRXFJTCPLAPVIT-WBMJQRKESA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395421 735152802 /nfs/dbraw/zinc/15/28/02/735152802.db2.gz IRXFJTCPLAPVIT-WBMJQRKESA-N 0 1 369.259 2.865 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896568465 735175052 /nfs/dbraw/zinc/17/50/52/735175052.db2.gz NFWWOTCEILSYGP-DOTOQJQBSA-N 0 1 360.527 2.520 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896568465 735175053 /nfs/dbraw/zinc/17/50/53/735175053.db2.gz NFWWOTCEILSYGP-DOTOQJQBSA-N 0 1 360.527 2.520 20 10 FFCDMN COc1cc(Cl)cc(CN2CCC(N3CCCOC3=O)CC2)c1O ZINC000897591158 735252686 /nfs/dbraw/zinc/25/26/86/735252686.db2.gz AJIBEMJCENUHES-UHFFFAOYSA-N 0 1 354.834 2.861 20 10 FFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756445788 736331987 /nfs/dbraw/zinc/33/19/87/736331987.db2.gz PRHULQDAPSLFNV-CYBMUJFWSA-N 0 1 368.886 2.816 20 10 FFCDMN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000756482829 736335338 /nfs/dbraw/zinc/33/53/38/736335338.db2.gz JBOGVMOBACUWNF-ZDUSSCGKSA-N 0 1 350.484 2.914 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000756733110 736356727 /nfs/dbraw/zinc/35/67/27/736356727.db2.gz OQNLYBUUBUJVEX-JCRCQARHSA-N 0 1 353.260 2.815 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000757654706 736416454 /nfs/dbraw/zinc/41/64/54/736416454.db2.gz NHSQYGJYVOQPGM-PWSUYJOCSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@H](NC1COC(C)(C)OC1)c1ccc(N2CCOCC2)cc1Cl ZINC000757698798 736420402 /nfs/dbraw/zinc/42/04/02/736420402.db2.gz RRZZJCIZTMMXQI-ZDUSSCGKSA-N 0 1 354.878 2.979 20 10 FFCDMN Cc1cc(C)c(O)c(CN2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000763327254 736927907 /nfs/dbraw/zinc/92/79/07/736927907.db2.gz MXMJTTRRRGIWDZ-UHFFFAOYSA-N 0 1 360.479 2.791 20 10 FFCDMN COc1ccc(N2CC[C@@H](NCc3nc(Br)c[nH]3)C2)cc1 ZINC000922238063 738110639 /nfs/dbraw/zinc/11/06/39/738110639.db2.gz PVTBNAYSLQKDMF-LLVKDONJSA-N 0 1 351.248 2.549 20 10 FFCDMN CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007353 738252907 /nfs/dbraw/zinc/25/29/07/738252907.db2.gz LWPSGXUKSKEQFC-IAQYHMDHSA-N 0 1 350.356 2.890 20 10 FFCDMN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1c(F)ccc(O)c1O ZINC000790070625 739416767 /nfs/dbraw/zinc/41/67/67/739416767.db2.gz WRRSHICHNITIOI-UHFFFAOYSA-N 0 1 362.338 2.870 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000790410038 739449888 /nfs/dbraw/zinc/44/98/88/739449888.db2.gz YTJSOVDEJPAMAF-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930626 739515046 /nfs/dbraw/zinc/51/50/46/739515046.db2.gz BETHSBFCZJFEBG-HSMVNMDESA-N 0 1 356.260 2.923 20 10 FFCDMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792702915 739695923 /nfs/dbraw/zinc/69/59/23/739695923.db2.gz IVCAISPSYQDAJJ-UHFFFAOYSA-N 0 1 371.411 2.841 20 10 FFCDMN CC(C)c1n[nH]c(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000795527393 740032958 /nfs/dbraw/zinc/03/29/58/740032958.db2.gz VVJPOICZIPHGKX-UHFFFAOYSA-N 0 1 357.439 2.915 20 10 FFCDMN CC(C)c1nc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n[nH]1 ZINC000795527393 740032962 /nfs/dbraw/zinc/03/29/62/740032962.db2.gz VVJPOICZIPHGKX-UHFFFAOYSA-N 0 1 357.439 2.915 20 10 FFCDMN C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000797112439 740213320 /nfs/dbraw/zinc/21/33/20/740213320.db2.gz QBKOIQGKCGHHGL-IINYFYTJSA-N 0 1 352.784 2.959 20 10 FFCDMN O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000800899342 740562409 /nfs/dbraw/zinc/56/24/09/740562409.db2.gz KVNBXLGECHLZQF-MRXNPFEDSA-N 0 1 360.841 2.815 20 10 FFCDMN COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805135514 740943771 /nfs/dbraw/zinc/94/37/71/740943771.db2.gz MUJRNMAMGBCDEM-UHFFFAOYSA-N 0 1 363.222 2.581 20 10 FFCDMN CCO[C@@H]1COCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805280596 740956437 /nfs/dbraw/zinc/95/64/37/740956437.db2.gz KSPRJMJCZRGLAU-CHWSQXEVSA-N 0 1 363.241 2.692 20 10 FFCDMN COC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000806508432 741065290 /nfs/dbraw/zinc/06/52/90/741065290.db2.gz KNMOWIHMDISEOU-UHFFFAOYSA-N 0 1 371.180 2.597 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000807837790 741162838 /nfs/dbraw/zinc/16/28/38/741162838.db2.gz CIIKWDOUINMZPG-UHFFFAOYSA-N 0 1 358.137 2.638 20 10 FFCDMN CCC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837558 741162975 /nfs/dbraw/zinc/16/29/75/741162975.db2.gz VMMMJEBDISMSRZ-NSHDSACASA-N 0 1 363.266 2.627 20 10 FFCDMN Cc1occc1C(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839912 741163311 /nfs/dbraw/zinc/16/33/11/741163311.db2.gz UOBCNRHFBBRVBC-UHFFFAOYSA-N 0 1 357.193 2.647 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1-n1cnnn1 ZINC000807839046 741163417 /nfs/dbraw/zinc/16/34/17/741163417.db2.gz VJVCHOVVLJIMPS-UHFFFAOYSA-N 0 1 364.192 2.605 20 10 FFCDMN COc1cc(Br)cc(CN(C)C[C@H](O)C(F)(F)F)c1O ZINC000809751310 741340004 /nfs/dbraw/zinc/34/00/04/741340004.db2.gz QNCDSMNWVFRCLY-JTQLQIEISA-N 0 1 358.154 2.518 20 10 FFCDMN CCN(CC)CCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000810050715 741377313 /nfs/dbraw/zinc/37/73/13/741377313.db2.gz MDDNCUQUTRSNIJ-UHFFFAOYSA-N 0 1 354.516 2.808 20 10 FFCDMN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000811459491 741525675 /nfs/dbraw/zinc/52/56/75/741525675.db2.gz FWONIKLXNTYKAM-MRXNPFEDSA-N 0 1 373.266 2.983 20 10 FFCDMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000811459491 741525678 /nfs/dbraw/zinc/52/56/78/741525678.db2.gz FWONIKLXNTYKAM-MRXNPFEDSA-N 0 1 373.266 2.983 20 10 FFCDMN CCOc1cccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811514723 741532637 /nfs/dbraw/zinc/53/26/37/741532637.db2.gz PIFALGIYKKFECE-LBPRGKRZSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811514723 741532641 /nfs/dbraw/zinc/53/26/41/741532641.db2.gz PIFALGIYKKFECE-LBPRGKRZSA-N 0 1 360.376 2.681 20 10 FFCDMN CC(C)n1cncc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000818215192 742250724 /nfs/dbraw/zinc/25/07/24/742250724.db2.gz BPNMSLMZLWTYOZ-UHFFFAOYSA-N 0 1 350.413 2.869 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1 ZINC000824454940 743081847 /nfs/dbraw/zinc/08/18/47/743081847.db2.gz LRRNQOPBINHNGS-LBPRGKRZSA-N 0 1 369.259 2.737 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000824913655 743177402 /nfs/dbraw/zinc/17/74/02/743177402.db2.gz WCFIDZFHTMGJKX-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000824913655 743177405 /nfs/dbraw/zinc/17/74/05/743177405.db2.gz WCFIDZFHTMGJKX-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000825138446 743217060 /nfs/dbraw/zinc/21/70/60/743217060.db2.gz MDIPSQHOXLOJLU-CQSZACIVSA-N 0 1 366.259 2.511 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000825892463 743339610 /nfs/dbraw/zinc/33/96/10/743339610.db2.gz GACCDKWTHBKUOG-AWEZNQCLSA-N 0 1 352.784 2.707 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1[O-] ZINC000834851264 745914585 /nfs/dbraw/zinc/91/45/85/745914585.db2.gz WBIKJKSNVZJIMZ-GXTWGEPZSA-N 0 1 357.292 2.652 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834913944 745923231 /nfs/dbraw/zinc/92/32/31/745923231.db2.gz JORVFAJHUPEOPA-SUHUHFCYSA-N 0 1 353.260 2.959 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000840885626 747212574 /nfs/dbraw/zinc/21/25/74/747212574.db2.gz YMRGBTFONORSAK-UHFFFAOYSA-N 0 1 368.886 2.693 20 10 FFCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000840974397 747247697 /nfs/dbraw/zinc/24/76/97/747247697.db2.gz IWHRRLPTWVJXMF-CQSZACIVSA-N 0 1 367.833 2.931 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1[O-] ZINC000844335878 748008023 /nfs/dbraw/zinc/00/80/23/748008023.db2.gz UKNGITLBQSQCMH-UHFFFAOYSA-N 0 1 366.889 2.575 20 10 FFCDMN C[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)c(F)cc1O ZINC000848560616 748961028 /nfs/dbraw/zinc/96/10/28/748961028.db2.gz HWYACSHBJDZBAA-QMMMGPOBSA-N 0 1 372.242 2.886 20 10 FFCDMN CCc1nn(C)c(Cl)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406214 749360773 /nfs/dbraw/zinc/36/07/73/749360773.db2.gz XPWMEJJWWKSNLW-UHFFFAOYSA-N 0 1 362.905 2.887 20 10 FFCDMN CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000850554952 749386760 /nfs/dbraw/zinc/38/67/60/749386760.db2.gz FSRFONCZWOVSBM-JTQLQIEISA-N 0 1 362.289 2.773 20 10 FFCDMN CO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 ZINC000852437495 749859802 /nfs/dbraw/zinc/85/98/02/749859802.db2.gz YLHATPGCVROSLO-NOZJJQNGSA-N 0 1 363.241 2.550 20 10 FFCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000185157439 971249469 /nfs/dbraw/zinc/24/94/69/971249469.db2.gz MHZYLWHPJZBPCU-UHFFFAOYSA-N 0 1 370.478 2.501 20 10 FFCDMN CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275840807 1013069636 /nfs/dbraw/zinc/06/96/36/1013069636.db2.gz SBWQSEJKCITWJW-LJQANCHMSA-N 0 1 366.889 2.753 20 10 FFCDMN CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275840807 1013069654 /nfs/dbraw/zinc/06/96/54/1013069654.db2.gz SBWQSEJKCITWJW-LJQANCHMSA-N 0 1 366.889 2.753 20 10 FFCDMN CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001603106940 972181800 /nfs/dbraw/zinc/18/18/00/972181800.db2.gz JSGUNOABLPZTHV-WBVHZDCISA-N 0 1 357.454 2.939 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@]3(CCN(Cc4cscn4)C3)C2=O)cc1 ZINC001275969822 1013243270 /nfs/dbraw/zinc/24/32/70/1013243270.db2.gz MPXWYQUGOKJLTE-FQEVSTJZSA-N 0 1 370.522 2.834 20 10 FFCDMN CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1F ZINC001276031327 1013297904 /nfs/dbraw/zinc/29/79/04/1013297904.db2.gz ITUSONWWBAJQAK-IBGZPJMESA-N 0 1 350.434 2.525 20 10 FFCDMN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891257494 962619847 /nfs/dbraw/zinc/61/98/47/962619847.db2.gz HOETVUOUKJMCTJ-GOSISDBHSA-N 0 1 370.497 2.933 20 10 FFCDMN COc1ccc(CNCc2ccc(NC(C)=O)nc2)cc1Cn1cccn1 ZINC000873115574 1013390887 /nfs/dbraw/zinc/39/08/87/1013390887.db2.gz KOUNOWAJYQIZMK-UHFFFAOYSA-N 0 1 365.437 2.583 20 10 FFCDMN COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3[O-])(C1)CCC2 ZINC001279108650 963971242 /nfs/dbraw/zinc/97/12/42/963971242.db2.gz UWFYFZNYHAZFCT-MOPGFXCFSA-N 0 1 370.440 2.816 20 10 FFCDMN COc1ccc(OC)c(CN2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000161045295 964485250 /nfs/dbraw/zinc/48/52/50/964485250.db2.gz JDHNDIICFCXFHY-UHFFFAOYSA-N 0 1 372.465 2.736 20 10 FFCDMN COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891631143 964656251 /nfs/dbraw/zinc/65/62/51/964656251.db2.gz NWXAUCSNACMZNH-AWEZNQCLSA-N 0 1 366.458 2.899 20 10 FFCDMN COC1CCN(c2ccc(CN3CCOC[C@@H]3C[C@H]3CCOC3)cc2)CC1 ZINC000933664925 965048776 /nfs/dbraw/zinc/04/87/76/965048776.db2.gz HWTHZZRARYHETQ-CTNGQTDRSA-N 0 1 374.525 2.929 20 10 FFCDMN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000780376002 965698227 /nfs/dbraw/zinc/69/82/27/965698227.db2.gz YXMKCUIYQGJRGI-LJQANCHMSA-N 0 1 367.493 2.770 20 10 FFCDMN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc2nn[nH]c2c1 ZINC001176004401 1013608278 /nfs/dbraw/zinc/60/82/78/1013608278.db2.gz MCSQPZBCUKERSL-UHFFFAOYSA-N 0 1 371.400 2.960 20 10 FFCDMN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc2n[nH]nc2c1 ZINC001176004401 1013608281 /nfs/dbraw/zinc/60/82/81/1013608281.db2.gz MCSQPZBCUKERSL-UHFFFAOYSA-N 0 1 371.400 2.960 20 10 FFCDMN C[C@H](c1ccccc1)N(CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000176673610 966545136 /nfs/dbraw/zinc/54/51/36/966545136.db2.gz DESCGSHHLMKKTN-QGZVFWFLSA-N 0 1 354.450 2.814 20 10 FFCDMN COc1ccc(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000007489677 967600709 /nfs/dbraw/zinc/60/07/09/967600709.db2.gz GDLQEBYWLHBCPH-UHFFFAOYSA-N 0 1 370.478 2.779 20 10 FFCDMN CCCc1[nH]nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000161853964 967672037 /nfs/dbraw/zinc/67/20/37/967672037.db2.gz JCQTWVCSQPOTNY-UHFFFAOYSA-N 0 1 359.430 2.999 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000124864230 1013778546 /nfs/dbraw/zinc/77/85/46/1013778546.db2.gz YGDPKDWPGQDHOT-CQSZACIVSA-N 0 1 371.485 2.626 20 10 FFCDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001591711789 975598034 /nfs/dbraw/zinc/59/80/34/975598034.db2.gz NIAFTVKSWQCWGB-GFCCVEGCSA-N 0 1 364.211 2.604 20 10 FFCDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001591711789 975598042 /nfs/dbraw/zinc/59/80/42/975598042.db2.gz NIAFTVKSWQCWGB-GFCCVEGCSA-N 0 1 364.211 2.604 20 10 FFCDMN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608111 975914266 /nfs/dbraw/zinc/91/42/66/975914266.db2.gz PDWVFHHSZLBOEN-VKAVYKQESA-N 0 1 350.466 2.553 20 10 FFCDMN CC[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1c(C)noc1C ZINC000893608064 975914504 /nfs/dbraw/zinc/91/45/04/975914504.db2.gz OHEYSPHKQRSTBE-LJQANCHMSA-N 0 1 370.497 2.853 20 10 FFCDMN Oc1cccc(N2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC000876552776 1014300699 /nfs/dbraw/zinc/30/06/99/1014300699.db2.gz CVXVSOHEZCENBA-UHFFFAOYSA-N 0 1 367.493 2.676 20 10 FFCDMN COc1ccccc1CN(CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876609577 1014321776 /nfs/dbraw/zinc/32/17/76/1014321776.db2.gz OQGGAPMTONGRDX-UHFFFAOYSA-N 0 1 370.493 2.651 20 10 FFCDMN CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000876832988 1014403154 /nfs/dbraw/zinc/40/31/54/1014403154.db2.gz KGODYWPNWOJQJH-CQSZACIVSA-N 0 1 364.392 2.712 20 10 FFCDMN O=C(c1ccc(O)c(O)c1)N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001272003217 979515834 /nfs/dbraw/zinc/51/58/34/979515834.db2.gz VNPUOBXKENIUKE-UHFFFAOYSA-N 0 1 372.387 2.978 20 10 FFCDMN CC[C@H](F)CN1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623292 979726134 /nfs/dbraw/zinc/72/61/34/979726134.db2.gz OXMCJICAQZORIB-OFQRWUPVSA-N 0 1 361.421 2.743 20 10 FFCDMN CC[C@@]1(O)CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC001595396611 980962502 /nfs/dbraw/zinc/96/25/02/980962502.db2.gz ZSFOZBWHHLJXSD-OAQYLSRUSA-N 0 1 370.449 2.822 20 10 FFCDMN CC[C@@]1(O)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC001595396611 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CCCn1cc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000180947504 991579625 /nfs/dbraw/zinc/57/96/25/991579625.db2.gz JGSREAKVJURNLF-UHFFFAOYSA-N 0 1 373.476 2.504 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000809567569 994540640 /nfs/dbraw/zinc/54/06/40/994540640.db2.gz JZIZLVYTOJKVSV-FQEVSTJZSA-N 0 1 366.509 2.986 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593303595 994735699 /nfs/dbraw/zinc/73/56/99/994735699.db2.gz HIBUHPVSERCUJB-OAHLLOKOSA-N 0 1 369.465 2.693 20 10 FFCDMN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001133123383 995333244 /nfs/dbraw/zinc/33/32/44/995333244.db2.gz JLRLPUJXPDNTAZ-UHFFFAOYSA-N 0 1 365.477 2.879 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ncnc4c3CCC4)cc2F)CC1 ZINC000730108585 996836568 /nfs/dbraw/zinc/83/65/68/996836568.db2.gz RHNCRGJIRPUJME-UHFFFAOYSA-N 0 1 355.461 2.858 20 10 FFCDMN Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874825 996935649 /nfs/dbraw/zinc/93/56/49/996935649.db2.gz 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Cc1cc(C(=O)OC[C@H]2CN(C(C)C)CCO2)c(C)n1-c1ccccn1 ZINC000789770809 1002185170 /nfs/dbraw/zinc/18/51/70/1002185170.db2.gz FYNRJWZDEULHNE-QGZVFWFLSA-N 0 1 357.454 2.755 20 10 FFCDMN CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Cc1ccccc1 ZINC000789953072 1002237204 /nfs/dbraw/zinc/23/72/04/1002237204.db2.gz MASUJELSLNWSDC-HNNXBMFYSA-N 0 1 360.429 2.920 20 10 FFCDMN CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])Cc1ccccc1 ZINC000789953073 1002237624 /nfs/dbraw/zinc/23/76/24/1002237624.db2.gz MASUJELSLNWSDC-OAHLLOKOSA-N 0 1 360.429 2.920 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000791475129 1002722886 /nfs/dbraw/zinc/72/28/86/1002722886.db2.gz KPARFCRFHOUAAZ-UHFFFAOYSA-N 0 1 369.456 2.615 20 10 FFCDMN C[C@@H]1C[C@H](C)N1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000791567162 1002743315 /nfs/dbraw/zinc/74/33/15/1002743315.db2.gz HEQLAOFUCZJMHC-GEEKYZPCSA-N 0 1 363.477 2.538 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NOC3CCCC3)cc2F)CC1 ZINC000774808647 1002789680 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CCCCO[C@H](C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702019 1005356574 /nfs/dbraw/zinc/35/65/74/1005356574.db2.gz FIDBUJDEUZAMFY-MRXNPFEDSA-N 0 1 365.493 2.789 20 10 FFCDMN Fc1cc(CNCc2ccnn2CC2CC2)cc(F)c1N1CCOCC1 ZINC000850324151 1005806103 /nfs/dbraw/zinc/80/61/03/1005806103.db2.gz YJHDLVQHPJKWQS-UHFFFAOYSA-N 0 1 362.424 2.698 20 10 FFCDMN OC1CCN(c2ccc(CNCc3cnnn3-c3ccccc3)cc2)CC1 ZINC000850406423 1005813764 /nfs/dbraw/zinc/81/37/64/1005813764.db2.gz GLINURDLXVFZAF-UHFFFAOYSA-N 0 1 363.465 2.518 20 10 FFCDMN COc1ccc(N2CC[C@@H](N[C@H](c3c[nH]nn3)c3ccc(F)cc3)C2)cc1 ZINC000850489749 1005818424 /nfs/dbraw/zinc/81/84/24/1005818424.db2.gz WSEFWXVDLZKGAE-UZLBHIALSA-N 0 1 367.428 2.910 20 10 FFCDMN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000852654607 1006126910 /nfs/dbraw/zinc/12/69/10/1006126910.db2.gz LFZJRGVYRNMCLB-OAQYLSRUSA-N 0 1 366.509 2.580 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000881850891 1006241969 /nfs/dbraw/zinc/24/19/69/1006241969.db2.gz JOGOMMZBCSTNSX-UHFFFAOYSA-N 0 1 359.420 2.576 20 10 FFCDMN CN(CC(=O)N(C)CCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000111235992 1006362648 /nfs/dbraw/zinc/36/26/48/1006362648.db2.gz LNHKBHJAHZGXGP-UHFFFAOYSA-N 0 1 360.429 2.891 20 10 FFCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000131214533 1006703041 /nfs/dbraw/zinc/70/30/41/1006703041.db2.gz NHSACOQAPLDDOX-MRXNPFEDSA-N 0 1 364.453 2.935 20 10 FFCDMN O=C(CCc1cncnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000815835361 1006802214 /nfs/dbraw/zinc/80/22/14/1006802214.db2.gz QMWFHBNNLGLZGY-KRWDZBQOSA-N 0 1 374.872 2.549 20 10 FFCDMN N[C@]1(C(F)(F)F)CCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001206237615 1032195666 /nfs/dbraw/zinc/19/56/66/1032195666.db2.gz KMGOARXMFKAQGS-LLVKDONJSA-N 0 1 357.145 2.759 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)ccc2ncccc21 ZINC000775287084 1007237370 /nfs/dbraw/zinc/23/73/70/1007237370.db2.gz JBOUQGLJIULXTE-UHFFFAOYSA-N 0 1 372.402 2.836 20 10 FFCDMN COc1ccc(N2CC[C@H](CNCc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000818222297 1007887616 /nfs/dbraw/zinc/88/76/16/1007887616.db2.gz WIHITGLQZGPBLL-QGZVFWFLSA-N 0 1 363.465 2.892 20 10 FFCDMN CN(C)Cc1cc(CN2C(=O)CN(Cc3ccccc3O)C2=O)ccc1F ZINC000819167857 1008055232 /nfs/dbraw/zinc/05/52/32/1008055232.db2.gz ILSAKKFWZJXRIE-UHFFFAOYSA-N 0 1 371.412 2.557 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc(F)c3)CC2)cc1 ZINC000011853415 1008180315 /nfs/dbraw/zinc/18/03/15/1008180315.db2.gz OOMVFPFGXMDTPU-UHFFFAOYSA-N 0 1 371.456 2.776 20 10 FFCDMN Cn1cc([C@@H](NCc2ccc(N3CCN(C)CC3)cc2)C(F)(F)F)cn1 ZINC000858164040 1008315883 /nfs/dbraw/zinc/31/58/83/1008315883.db2.gz OICRFMZYRHUQPM-QGZVFWFLSA-N 0 1 367.419 2.565 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC000858179661 1008318556 /nfs/dbraw/zinc/31/85/56/1008318556.db2.gz DNRJIGFPAGQRJP-FQEVSTJZSA-N 0 1 371.525 2.904 20 10 FFCDMN COc1ccc(N2CCN(CCN[C@H]3CCCc4scnc43)CC2)cc1 ZINC000858358172 1008350051 /nfs/dbraw/zinc/35/00/51/1008350051.db2.gz AKVPOVSNDQZMGW-SFHVURJKSA-N 0 1 372.538 2.941 20 10 FFCDMN 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20 10 FFCDMN COc1cc(CN2CCc3cc(OC)c(OC)cc3C2)c(O)c(OC)c1 ZINC001237675186 1043303291 /nfs/dbraw/zinc/30/32/91/1043303291.db2.gz BDILHLMXDSSFRK-UHFFFAOYSA-N 0 1 359.422 2.985 20 10 FFCDMN COC(=O)c1cccc2c1CCN(Cc1cc(OC)cc(OC)c1O)C2 ZINC001237683062 1043309306 /nfs/dbraw/zinc/30/93/06/1043309306.db2.gz DVXFVNHFKQTYPM-UHFFFAOYSA-N 0 1 357.406 2.754 20 10 FFCDMN Cc1cc(O)c(CN2CCC(N3CCOC3=O)CC2)cc1Br ZINC001237683134 1043309688 /nfs/dbraw/zinc/30/96/88/1043309688.db2.gz WTGHISPERFMBDH-UHFFFAOYSA-N 0 1 369.259 2.880 20 10 FFCDMN CC[N@@H+]1CCCN(Cc2cccc(I)c2[O-])CC1 ZINC001237782025 1043355230 /nfs/dbraw/zinc/35/52/30/1043355230.db2.gz DMBSLQBSYBGEEA-UHFFFAOYSA-N 0 1 360.239 2.524 20 10 FFCDMN CC[N@H+]1CCCN(Cc2cccc(I)c2[O-])CC1 ZINC001237782025 1043355238 /nfs/dbraw/zinc/35/52/38/1043355238.db2.gz DMBSLQBSYBGEEA-UHFFFAOYSA-N 0 1 360.239 2.524 20 10 FFCDMN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(Cl)c2O)[C@H](CO)C1 ZINC001237801954 1043365866 /nfs/dbraw/zinc/36/58/66/1043365866.db2.gz 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001309654160 1043470709 /nfs/dbraw/zinc/47/07/09/1043470709.db2.gz JVQIHMFYTCZMKY-UHFFFAOYSA-N 0 1 360.750 2.571 20 10 FFCDMN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001238061454 1043509265 /nfs/dbraw/zinc/50/92/65/1043509265.db2.gz NDVRVBXXFFWMFN-FQEVSTJZSA-N 0 1 355.413 2.864 20 10 FFCDMN CCN(CC)c1ccc(CN2CC3(C[C@@H]3C(=O)NCC(F)F)C2)cc1 ZINC001279743499 1043572833 /nfs/dbraw/zinc/57/28/33/1043572833.db2.gz LTIXHNFOWJDOJQ-MRXNPFEDSA-N 0 1 351.441 2.736 20 10 FFCDMN O=C(Nc1ccc(O)cc1O)[C@H]1CC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001279982003 1044031424 /nfs/dbraw/zinc/03/14/24/1044031424.db2.gz LQQBWIMALDXGAU-CQSZACIVSA-N 0 1 374.824 2.917 20 10 FFCDMN CC[N@H+]1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@H]1C ZINC001313930782 1044444568 /nfs/dbraw/zinc/44/45/68/1044444568.db2.gz BUHMOIKRFQGANU-CYBMUJFWSA-N 0 1 366.560 2.756 20 10 FFCDMN CCN1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@H]1C ZINC001313930782 1044444571 /nfs/dbraw/zinc/44/45/71/1044444571.db2.gz BUHMOIKRFQGANU-CYBMUJFWSA-N 0 1 366.560 2.756 20 10 FFCDMN O=C(NC1CCC(F)CC1)[C@@H]1CC12CN(Cc1cc(F)ccc1O)C2 ZINC001280292929 1044561589 /nfs/dbraw/zinc/56/15/89/1044561589.db2.gz PIHMRQSVAJPIIL-BCLQGDPASA-N 0 1 350.409 2.750 20 10 FFCDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850252 1044674315 /nfs/dbraw/zinc/67/43/15/1044674315.db2.gz UURIKAQRSYDXGS-LSDHHAIUSA-N 0 1 362.474 2.978 20 10 FFCDMN CCOC(=O)c1cc2c(cc(C)nc2-c2cncc(C(=O)OC)c2)n1C ZINC001243142668 1044881180 /nfs/dbraw/zinc/88/11/80/1044881180.db2.gz AKZKKGOLUBXSJR-UHFFFAOYSA-N 0 1 353.378 2.907 20 10 FFCDMN CCCc1n[nH]cc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001320379980 1045399015 /nfs/dbraw/zinc/39/90/15/1045399015.db2.gz IGNHGOZSTJCMGI-UHFFFAOYSA-N 0 1 373.476 2.573 20 10 FFCDMN C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC001321979960 1045900895 /nfs/dbraw/zinc/90/08/95/1045900895.db2.gz MXMSWTKBHXMXHE-KBPBESRZSA-N 0 1 370.291 2.827 20 10 FFCDMN CCO[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC001288334587 1047449086 /nfs/dbraw/zinc/44/90/86/1047449086.db2.gz LEMUNSYWSHXHML-NRFANRHFSA-N 0 1 367.493 2.832 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+]Cc3cccc(CCC(=O)[O-])c3)cc2)CC1 ZINC001331844960 1048138025 /nfs/dbraw/zinc/13/80/25/1048138025.db2.gz DNTVEPIESZNHNW-UHFFFAOYSA-N 0 1 367.493 2.745 20 10 FFCDMN COc1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)cc1Cn1cccn1 ZINC001308298280 1052443279 /nfs/dbraw/zinc/44/32/79/1052443279.db2.gz QKPVYNFKMZREDS-UHFFFAOYSA-N 0 1 372.469 2.649 20 10 FFCDMN C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001308765562 1052496844 /nfs/dbraw/zinc/49/68/44/1052496844.db2.gz OCWMHMIODOIRNY-CPCISQLKSA-N 0 1 365.065 2.872 20 10 FFCDMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)s1 ZINC001308962437 1052526945 /nfs/dbraw/zinc/52/69/45/1052526945.db2.gz JGZMMOLDSGJBMX-VIFPVBQESA-N 0 1 354.378 2.903 20 10 FFCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cc2F)CC1 ZINC001344074107 1052580284 /nfs/dbraw/zinc/58/02/84/1052580284.db2.gz BCTCKLXIVYUQNK-LJQANCHMSA-N 0 1 370.472 2.626 20 10 FFCDMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363316 1055603307 /nfs/dbraw/zinc/60/33/07/1055603307.db2.gz XQNWHOOJTLBNAL-KFWWJZLASA-N 0 1 374.460 2.657 20 10 FFCDMN CC[C@@H](C)N1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001338750877 1055782695 /nfs/dbraw/zinc/78/26/95/1055782695.db2.gz ZSMXQHMWWMFFNU-GFCCVEGCSA-N 0 1 372.498 2.718 20 10 FFCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2CCCCC2)N(C)C)cc1 ZINC001475765657 1061260303 /nfs/dbraw/zinc/26/03/03/1061260303.db2.gz ABGQYNVYHQZQJR-LJQANCHMSA-N 0 1 367.559 2.855 20 10 FFCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnncc2O)cc1 ZINC001441142915 1063403489 /nfs/dbraw/zinc/40/34/89/1063403489.db2.gz AIQYMFATWXNFSK-UHFFFAOYSA-N 0 1 352.394 2.684 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCC3)cc2)CC1 ZINC001471189777 1064596010 /nfs/dbraw/zinc/59/60/10/1064596010.db2.gz AWOQRKHFTUROKU-HXUWFJFHSA-N 0 1 356.514 2.913 20 10 FFCDMN OCC1CCN(c2ccc(CNCc3cn4ccccc4n3)cc2)CC1 ZINC001473956853 1065427973 /nfs/dbraw/zinc/42/79/73/1065427973.db2.gz BDRCWHUEBNEBHE-UHFFFAOYSA-N 0 1 350.466 2.833 20 10 FFCDMN Cc1cc(Br)cc(CN[C@H](C)c2nnc3n2CCC3)c1O ZINC001474392395 1065509706 /nfs/dbraw/zinc/50/97/06/1065509706.db2.gz WUTWVIPUOMWPAZ-SNVBAGLBSA-N 0 1 351.248 2.852 20 10 FFCDMN COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CCC1 ZINC001474723506 1065589760 /nfs/dbraw/zinc/58/97/60/1065589760.db2.gz DFDDUXMRCXIGDS-SFHVURJKSA-N 0 1 353.846 2.716 20 10 FFCDMN COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CCC1 ZINC001474723506 1065589766 /nfs/dbraw/zinc/58/97/66/1065589766.db2.gz DFDDUXMRCXIGDS-SFHVURJKSA-N 0 1 353.846 2.716 20 10 FFCDMN CN1CCN(c2ccccc2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001587927441 1079892231 /nfs/dbraw/zinc/89/22/31/1079892231.db2.gz HAHOPQGZOGSMTL-UHFFFAOYSA-N 0 1 366.425 2.853 20 10 FFCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000010907939 506758873 /nfs/dbraw/zinc/75/88/73/506758873.db2.gz YXFGFPKKRFQORU-UHFFFAOYSA-N 0 1 350.422 2.672 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000133597886 508422361 /nfs/dbraw/zinc/42/23/61/508422361.db2.gz URCBZEKCJCTOQA-HXUWFJFHSA-N 0 1 367.497 2.648 20 10 FFCDMN C[C@@H](C(=O)N1CCCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153363385 508576293 /nfs/dbraw/zinc/57/62/93/508576293.db2.gz BBPICZNHCLYXOI-SFHVURJKSA-N 0 1 359.514 2.746 20 10 FFCDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000157768212 508609034 /nfs/dbraw/zinc/60/90/34/508609034.db2.gz RKTDZBWCDUHMGN-OAHLLOKOSA-N 0 1 371.529 2.980 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186054496 509501752 /nfs/dbraw/zinc/50/17/52/509501752.db2.gz SLZFGFTWZJLSAE-UGSOOPFHSA-N 0 1 350.422 2.735 20 10 FFCDMN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000186109037 509525864 /nfs/dbraw/zinc/52/58/64/509525864.db2.gz TWFGAACLBOOIQI-CMPLNLGQSA-N 0 1 356.264 2.609 20 10 FFCDMN CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269443760 510409786 /nfs/dbraw/zinc/40/97/86/510409786.db2.gz GCLKAZOZGIHHRN-MRXNPFEDSA-N 0 1 374.506 2.820 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)CSC(F)F)cc2F)CC1 ZINC000294745905 511164305 /nfs/dbraw/zinc/16/43/05/511164305.db2.gz WYZCKHSCBNIDRM-UHFFFAOYSA-N 0 1 361.433 2.540 20 10 FFCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2[nH]1 ZINC000283507953 511394051 /nfs/dbraw/zinc/39/40/51/511394051.db2.gz PPCRHHOVCZZCKN-UHFFFAOYSA-N 0 1 368.412 2.777 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN(Cc1ccco1)C(C)C)cc2=O ZINC000299365394 511608031 /nfs/dbraw/zinc/60/80/31/511608031.db2.gz JUMDRDCHGVPDGX-UHFFFAOYSA-N 0 1 358.398 2.615 20 10 FFCDMN CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2ccc(C)cc2O)CC1 ZINC000296510646 511774374 /nfs/dbraw/zinc/77/43/74/511774374.db2.gz PMOVRIZMQPSQKF-JBEBIEQOSA-N 0 1 353.484 2.538 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1[O-] ZINC000363868497 511819679 /nfs/dbraw/zinc/81/96/79/511819679.db2.gz NJXIMQRITMRWBG-WCQYABFASA-N 0 1 365.275 2.818 20 10 FFCDMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120871 512027794 /nfs/dbraw/zinc/02/77/94/512027794.db2.gz YNEPZUWGTCYHMZ-ROUUACIJSA-N 0 1 351.450 2.941 20 10 FFCDMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120871 512027796 /nfs/dbraw/zinc/02/77/96/512027796.db2.gz YNEPZUWGTCYHMZ-ROUUACIJSA-N 0 1 351.450 2.941 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCc2c[nH]nc2C1 ZINC000367761621 512651507 /nfs/dbraw/zinc/65/15/07/512651507.db2.gz SRJWRBKNPHHIIP-NSHDSACASA-N 0 1 355.225 2.779 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000372281912 512794192 /nfs/dbraw/zinc/79/41/92/512794192.db2.gz KRJQBLSZXLXZPD-UONOGXRCSA-N 0 1 357.834 2.597 20 10 FFCDMN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000376827481 513004209 /nfs/dbraw/zinc/00/42/09/513004209.db2.gz IVAFEPCWNQJMLO-WNBZUOHFSA-N 0 1 356.397 2.812 20 10 FFCDMN CCO[C@@H]1C[C@@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000514708041 517014764 /nfs/dbraw/zinc/01/47/64/517014764.db2.gz LIDMSGZSYDRUJV-FXAWDEMLSA-N 0 1 355.482 2.701 20 10 FFCDMN Cc1ccn(-c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)n1 ZINC000560000975 517526827 /nfs/dbraw/zinc/52/68/27/517526827.db2.gz JXMNYDAONFPYDO-UHFFFAOYSA-N 0 1 371.447 2.986 20 10 FFCDMN C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1[O-] ZINC000527955428 518009789 /nfs/dbraw/zinc/00/97/89/518009789.db2.gz NZTVLXNQQVTXDF-OPAMFIHVSA-N 0 1 370.493 2.812 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C2(CO)CC2)C1 ZINC000617899142 520772454 /nfs/dbraw/zinc/77/24/54/520772454.db2.gz QXFRDWDYGGALPO-MRXNPFEDSA-N 0 1 369.509 2.685 20 10 FFCDMN O=C([O-])/C=C\c1ccc(N2CCC(Cc3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000739625317 600223354 /nfs/dbraw/zinc/22/33/54/600223354.db2.gz OOPPWBBLVUXTIL-RQOWECAXSA-N 0 1 356.382 2.875 20 10 FFCDMN Cn1cc([C@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043662 601342879 /nfs/dbraw/zinc/34/28/79/601342879.db2.gz DUZQKABBLCJICV-GOSISDBHSA-N 0 1 367.405 2.551 20 10 FFCDMN Cc1cc(C(=O)C[N@H+](CCO)CC2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858087 601594988 /nfs/dbraw/zinc/59/49/88/601594988.db2.gz GYYRYOUWIQBMMF-UHFFFAOYSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+](CCO)CC2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858087 601594990 /nfs/dbraw/zinc/59/49/90/601594990.db2.gz GYYRYOUWIQBMMF-UHFFFAOYSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899151 605913014 /nfs/dbraw/zinc/91/30/14/605913014.db2.gz ZFEFLFPFGGQATM-LLVKDONJSA-N 0 1 357.248 2.895 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899151 605913015 /nfs/dbraw/zinc/91/30/15/605913015.db2.gz ZFEFLFPFGGQATM-LLVKDONJSA-N 0 1 357.248 2.895 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899151 605913016 /nfs/dbraw/zinc/91/30/16/605913016.db2.gz ZFEFLFPFGGQATM-LLVKDONJSA-N 0 1 357.248 2.895 20 10 FFCDMN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Br)ccc1[O-] ZINC000825976571 608521525 /nfs/dbraw/zinc/52/15/25/608521525.db2.gz LVACBRNWFOTZRM-UHFFFAOYSA-N 0 1 374.242 2.967 20 10 FFCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Br)ccc1[O-] ZINC000825976571 608521526 /nfs/dbraw/zinc/52/15/26/608521526.db2.gz LVACBRNWFOTZRM-UHFFFAOYSA-N 0 1 374.242 2.967 20 10 FFCDMN CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000153974821 728793100 /nfs/dbraw/zinc/79/31/00/728793100.db2.gz IMEUMDYNEWGKFS-GFCCVEGCSA-N 0 1 357.794 2.664 20 10 FFCDMN CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000153974821 728793105 /nfs/dbraw/zinc/79/31/05/728793105.db2.gz IMEUMDYNEWGKFS-GFCCVEGCSA-N 0 1 357.794 2.664 20 10 FFCDMN Cn1nc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(F)(F)F ZINC000898022196 735304090 /nfs/dbraw/zinc/30/40/90/735304090.db2.gz DXMYWSAXRFWXPQ-UHFFFAOYSA-N 0 1 364.711 2.996 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092734160 728470648 /nfs/dbraw/zinc/47/06/48/728470648.db2.gz JOTAUHVGSSGGRX-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000093011393 728473046 /nfs/dbraw/zinc/47/30/46/728473046.db2.gz VBQBJPYXRFIPPR-OAHLLOKOSA-N 0 1 369.849 2.641 20 10 FFCDMN CCS(=O)(=O)NCCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000119278263 728590851 /nfs/dbraw/zinc/59/08/51/728590851.db2.gz MOMJOYKDRITKAK-INIZCTEOSA-N 0 1 362.495 2.895 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123686090 728661438 /nfs/dbraw/zinc/66/14/38/728661438.db2.gz NVIJECYTWBELHR-CABZTGNLSA-N 0 1 354.712 2.841 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)CC1 ZINC000255193297 729633986 /nfs/dbraw/zinc/63/39/86/729633986.db2.gz YFVFVDDOOPYAEU-GDNBJRDFSA-N 0 1 358.492 2.630 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1[O-] ZINC000858564297 730428959 /nfs/dbraw/zinc/42/89/59/730428959.db2.gz KBCWSRCHKJHBGA-PBHICJAKSA-N 0 1 361.873 2.992 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000858602678 730429743 /nfs/dbraw/zinc/42/97/43/730429743.db2.gz GIFZPKFMFCYNFU-HZMBPMFUSA-N 0 1 353.260 2.959 20 10 FFCDMN C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858767007 730433217 /nfs/dbraw/zinc/43/32/17/730433217.db2.gz YUBJHZAEOVRFTI-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN C[N@H+]1CCCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858767007 730433218 /nfs/dbraw/zinc/43/32/18/730433218.db2.gz YUBJHZAEOVRFTI-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN COc1ccc(COCC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000861729494 730637197 /nfs/dbraw/zinc/63/71/97/730637197.db2.gz XWEVOQVWWKXCST-UHFFFAOYSA-N 0 1 371.220 2.936 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)cn1 ZINC000862252789 730682662 /nfs/dbraw/zinc/68/26/62/730682662.db2.gz XGLNKTHDLWKMHC-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)cn1 ZINC000862252789 730682664 /nfs/dbraw/zinc/68/26/64/730682664.db2.gz XGLNKTHDLWKMHC-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000865532319 730966844 /nfs/dbraw/zinc/96/68/44/730966844.db2.gz YPQBETZLVAEDQZ-GFCCVEGCSA-N 0 1 367.902 2.904 20 10 FFCDMN CCOCc1cc(CNC[C@@H](n2cncn2)C(F)(F)F)ccc1OC ZINC000865682413 730985328 /nfs/dbraw/zinc/98/53/28/730985328.db2.gz FLDAGZGDBHQRMF-OAHLLOKOSA-N 0 1 358.364 2.716 20 10 FFCDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000874042451 732000252 /nfs/dbraw/zinc/00/02/52/732000252.db2.gz HOVUIHXVXOTOOA-INIZCTEOSA-N 0 1 360.376 2.695 20 10 FFCDMN COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(F)c(F)c1O ZINC000877514019 732377736 /nfs/dbraw/zinc/37/77/36/732377736.db2.gz GLRKAMYKKYPZCP-UHFFFAOYSA-N 0 1 372.393 2.541 20 10 FFCDMN COC(=O)c1[nH]c(C[NH2+]Cc2cc(Br)ccc2[O-])cc1C ZINC000877520883 732379372 /nfs/dbraw/zinc/37/93/72/732379372.db2.gz JSBUDYLMEGZCCD-UHFFFAOYSA-N 0 1 353.216 2.868 20 10 FFCDMN C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000883308457 733366545 /nfs/dbraw/zinc/36/65/45/733366545.db2.gz POWSSCQMQJNBTI-ZYHUDNBSSA-N 0 1 362.289 2.773 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCCC12OCCO2 ZINC000889527863 734187627 /nfs/dbraw/zinc/18/76/27/734187627.db2.gz SZCCROIHUQHKNY-GFCCVEGCSA-N 0 1 361.225 2.794 20 10 FFCDMN CN(C)Cc1csc(CNCc2ccc(Br)cc2O)n1 ZINC000722380628 734383962 /nfs/dbraw/zinc/38/39/62/734383962.db2.gz RJFFLBXKLMARJL-UHFFFAOYSA-N 0 1 356.289 2.963 20 10 FFCDMN Cc1cc(C)nc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000783602007 738818596 /nfs/dbraw/zinc/81/85/96/738818596.db2.gz BXTUXVGILXZXES-UHFFFAOYSA-N 0 1 350.825 2.914 20 10 FFCDMN COC(=O)c1c(CNC[C@@](C)(O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894361254 734845458 /nfs/dbraw/zinc/84/54/58/734845458.db2.gz FZHUQYVCBQDZCI-OAHLLOKOSA-N 0 1 362.323 2.507 20 10 FFCDMN CCOCCOCC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894536809 734875627 /nfs/dbraw/zinc/87/56/27/734875627.db2.gz DHUIXZISOMJKQH-UHFFFAOYSA-N 0 1 350.228 2.779 20 10 FFCDMN CN(C)C(=O)N[C@H]1CCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894939541 734940306 /nfs/dbraw/zinc/94/03/06/734940306.db2.gz IKGFVTVWGKRNHF-LBPRGKRZSA-N 0 1 374.254 2.529 20 10 FFCDMN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894991777 734949202 /nfs/dbraw/zinc/94/92/02/734949202.db2.gz GBEYDWFNXJIHPX-SECBINFHSA-N 0 1 361.667 2.718 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895334610 734992271 /nfs/dbraw/zinc/99/22/71/734992271.db2.gz JWLWVMREICPQNZ-NSHDSACASA-N 0 1 371.250 2.738 20 10 FFCDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1O ZINC000895864359 735066723 /nfs/dbraw/zinc/06/67/23/735066723.db2.gz ODBPTDNJKGLVFU-GXTWGEPZSA-N 0 1 372.259 2.745 20 10 FFCDMN CCOc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1 ZINC000743049511 735274794 /nfs/dbraw/zinc/27/47/94/735274794.db2.gz HWZCPSOZTKHITC-UHFFFAOYSA-N 0 1 364.452 2.743 20 10 FFCDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000753773605 736093179 /nfs/dbraw/zinc/09/31/79/736093179.db2.gz YKDJQNJVCPCDEG-UHFFFAOYSA-N 0 1 369.782 2.656 20 10 FFCDMN CC[C@@](O)(CNCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905282906 736322374 /nfs/dbraw/zinc/32/23/74/736322374.db2.gz BRLUFXXRQHKAKQ-OAHLLOKOSA-N 0 1 368.346 2.594 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000761982479 736778998 /nfs/dbraw/zinc/77/89/98/736778998.db2.gz MFTITOLRAFBGNE-SSDOTTSWSA-N 0 1 357.482 2.511 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000769403992 737525318 /nfs/dbraw/zinc/52/53/18/737525318.db2.gz GSJKTHAHPMQSPE-LBPRGKRZSA-N 0 1 367.833 2.788 20 10 FFCDMN CC(C)N1C(=O)CN(Cc2cccc(Br)c2O)CC1(C)C ZINC000769459828 737531988 /nfs/dbraw/zinc/53/19/88/737531988.db2.gz GUKKQTCZEUQODT-UHFFFAOYSA-N 0 1 355.276 2.986 20 10 FFCDMN Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)[nH]1 ZINC000770348193 737617830 /nfs/dbraw/zinc/61/78/30/737617830.db2.gz HJCDQUZGFKCZJB-LBPRGKRZSA-N 0 1 351.248 2.961 20 10 FFCDMN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000770348193 737617832 /nfs/dbraw/zinc/61/78/32/737617832.db2.gz HJCDQUZGFKCZJB-LBPRGKRZSA-N 0 1 351.248 2.961 20 10 FFCDMN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000770348193 737617836 /nfs/dbraw/zinc/61/78/36/737617836.db2.gz HJCDQUZGFKCZJB-LBPRGKRZSA-N 0 1 351.248 2.961 20 10 FFCDMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291732 738079737 /nfs/dbraw/zinc/07/97/37/738079737.db2.gz OIPYHODDGLIRDE-UHFFFAOYSA-N 0 1 351.472 2.977 20 10 FFCDMN CCn1nccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000775880970 738135464 /nfs/dbraw/zinc/13/54/64/738135464.db2.gz UTPQNWMVEUOEOQ-OAHLLOKOSA-N 0 1 362.861 2.656 20 10 FFCDMN CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000922403298 738138711 /nfs/dbraw/zinc/13/87/11/738138711.db2.gz KFKPDFYPUPTHAL-UKRRQHHQSA-N 0 1 366.259 2.991 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1noc2c1COCC2 ZINC000923017583 738230936 /nfs/dbraw/zinc/23/09/36/738230936.db2.gz 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10 FFCDMN Cc1n[nH]cc1C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000375375507 512291479 /nfs/dbraw/zinc/29/14/79/512291479.db2.gz DNWNYQOORFJUGK-UHFFFAOYSA-N 0 1 369.513 2.622 20 10 FFCDMN C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387290 507086100 /nfs/dbraw/zinc/08/61/00/507086100.db2.gz KOXXMZMUEYMLET-INIZCTEOSA-N 0 1 373.522 2.721 20 10 FFCDMN CCN(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000068420329 507224340 /nfs/dbraw/zinc/22/43/40/507224340.db2.gz JLOPHVFDWOSCIK-NRFANRHFSA-N 0 1 367.493 2.832 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2nccn2C)C1 ZINC000410767142 512363376 /nfs/dbraw/zinc/36/33/76/512363376.db2.gz NKOPRMCSDNCACP-UHFFFAOYSA-N 0 1 365.481 2.804 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1O ZINC000077208612 508287698 /nfs/dbraw/zinc/28/76/98/508287698.db2.gz ZJUVMKROBJSSOD-HNNXBMFYSA-N 0 1 359.426 2.630 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000158062356 508652014 /nfs/dbraw/zinc/65/20/14/508652014.db2.gz YQDYKDGZCKUNCA-CZUORRHYSA-N 0 1 352.862 2.553 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155583621 509031321 /nfs/dbraw/zinc/03/13/21/509031321.db2.gz LUJJNQUQYTXASN-ZDUSSCGKSA-N 0 1 356.455 2.689 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000155583621 509031326 /nfs/dbraw/zinc/03/13/26/509031326.db2.gz LUJJNQUQYTXASN-ZDUSSCGKSA-N 0 1 356.455 2.689 20 10 FFCDMN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Br)cc1[O-] ZINC000185450102 509183470 /nfs/dbraw/zinc/18/34/70/509183470.db2.gz IOVRAUMNZUPUGC-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186030375 509489470 /nfs/dbraw/zinc/48/94/70/509489470.db2.gz YISOODCKGMBPJI-NXEZZACHSA-N 0 1 350.278 2.629 20 10 FFCDMN COc1cccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)c1 ZINC000180605524 510009490 /nfs/dbraw/zinc/00/94/90/510009490.db2.gz ULBUTROBPXAZEQ-VMSUTVGLSA-N 0 1 356.422 2.539 20 10 FFCDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269131067 510249795 /nfs/dbraw/zinc/24/97/95/510249795.db2.gz BDWNDMPKKFFZIF-KRWDZBQOSA-N 0 1 372.377 2.827 20 10 FFCDMN O=C(c1cccc(O)c1O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000187684550 510387362 /nfs/dbraw/zinc/38/73/62/510387362.db2.gz NBEPOZIIMKXHDT-AWEZNQCLSA-N 0 1 364.405 2.903 20 10 FFCDMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1O ZINC000171926976 510456568 /nfs/dbraw/zinc/45/65/68/510456568.db2.gz QQWSPMBUKRREIS-INIZCTEOSA-N 0 1 369.465 2.688 20 10 FFCDMN CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000275644207 510908595 /nfs/dbraw/zinc/90/85/95/510908595.db2.gz TXCVQRLLBJJXIF-INIZCTEOSA-N 0 1 364.449 2.939 20 10 FFCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000278450972 510994533 /nfs/dbraw/zinc/99/45/33/510994533.db2.gz LNQNXSXSOUXSJI-GFCCVEGCSA-N 0 1 355.276 2.670 20 10 FFCDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000288224720 511068027 /nfs/dbraw/zinc/06/80/27/511068027.db2.gz NTLGCAXGAPZWNP-UHFFFAOYSA-N 0 1 357.410 2.630 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000289350160 511099111 /nfs/dbraw/zinc/09/91/11/511099111.db2.gz IZEIMJSLRCRNNA-UHFFFAOYSA-N 0 1 361.354 2.892 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289866910 511117616 /nfs/dbraw/zinc/11/76/16/511117616.db2.gz VQDVDPUFIZLHOD-ONGXEEELSA-N 0 1 368.739 2.947 20 10 FFCDMN Cn1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(C(F)F)n1 ZINC000291102243 511158832 /nfs/dbraw/zinc/15/88/32/511158832.db2.gz AYITVFJNYLTVSS-UHFFFAOYSA-N 0 1 354.376 2.623 20 10 FFCDMN CN(C)c1ccc(CN2CCC(N3CCNC3=O)CC2)c(C(F)(F)F)c1 ZINC000279730503 511191874 /nfs/dbraw/zinc/19/18/74/511191874.db2.gz VYNAHTQPHXHQME-UHFFFAOYSA-N 0 1 370.419 2.761 20 10 FFCDMN C[NH+]1CCC(Oc2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000296060010 511607182 /nfs/dbraw/zinc/60/71/82/511607182.db2.gz OYWKBDOVKSVTGL-UHFFFAOYSA-N 0 1 374.412 2.640 20 10 FFCDMN CC[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)ccc1[O-] ZINC000280832689 511620806 /nfs/dbraw/zinc/62/08/06/511620806.db2.gz LDPOLFPVHZUICW-JTQLQIEISA-N 0 1 351.191 2.577 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274228124 511760660 /nfs/dbraw/zinc/76/06/60/511760660.db2.gz DKHCHJVLCQICQR-UHFFFAOYSA-N 0 1 354.273 2.789 20 10 FFCDMN CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccc(C)cc2O)CC1 ZINC000296510648 511774563 /nfs/dbraw/zinc/77/45/63/511774563.db2.gz PMOVRIZMQPSQKF-LFPIHBKWSA-N 0 1 353.484 2.538 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000317817310 511805238 /nfs/dbraw/zinc/80/52/38/511805238.db2.gz NTNLJECAOSVDDR-AWEZNQCLSA-N 0 1 366.259 2.511 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000274877165 511973249 /nfs/dbraw/zinc/97/32/49/511973249.db2.gz GXIKPHLMMZFFLM-HOCLYGCPSA-N 0 1 358.276 2.983 20 10 FFCDMN CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CCN1CCOC ZINC000472237995 515180535 /nfs/dbraw/zinc/18/05/35/515180535.db2.gz FHWHOWSOKVBOCJ-QGZVFWFLSA-N 0 1 372.513 2.739 20 10 FFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000579838239 518880870 /nfs/dbraw/zinc/88/08/70/518880870.db2.gz NSGAHZOGKZYODJ-KRWDZBQOSA-N 0 1 364.449 2.529 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC3(CN(C)C3)C2)CCCC1 ZINC000614033418 520773078 /nfs/dbraw/zinc/77/30/78/520773078.db2.gz JWMLMRPPPADKBM-UHFFFAOYSA-N 0 1 367.493 2.693 20 10 FFCDMN Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859093 601384423 /nfs/dbraw/zinc/38/44/23/601384423.db2.gz KYBPADVCUHBFMS-MRXNPFEDSA-N 0 1 370.449 2.943 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859093 601384424 /nfs/dbraw/zinc/38/44/24/601384424.db2.gz KYBPADVCUHBFMS-MRXNPFEDSA-N 0 1 370.449 2.943 20 10 FFCDMN C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Br)c1[O-] ZINC000825962132 608526384 /nfs/dbraw/zinc/52/63/84/608526384.db2.gz RTIYCJSPTVCEFA-UHFFFAOYSA-N 0 1 374.242 2.967 20 10 FFCDMN O=C([C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000093014538 728473313 /nfs/dbraw/zinc/47/33/13/728473313.db2.gz DITKSPPTWOPVSP-OAHLLOKOSA-N 0 1 373.280 2.912 20 10 FFCDMN O=C([C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000093014538 728473315 /nfs/dbraw/zinc/47/33/15/728473315.db2.gz DITKSPPTWOPVSP-OAHLLOKOSA-N 0 1 373.280 2.912 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000104192784 728501026 /nfs/dbraw/zinc/50/10/26/728501026.db2.gz FQCJIXQJSKIFRP-MRXNPFEDSA-N 0 1 360.527 2.521 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)SC)cc2F)CC1 ZINC000119179432 728589423 /nfs/dbraw/zinc/58/94/23/728589423.db2.gz UOGSQEBIJXRNAW-CQSZACIVSA-N 0 1 353.507 2.725 20 10 FFCDMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129887005 728713893 /nfs/dbraw/zinc/71/38/93/728713893.db2.gz FOZHEBNVOADKAT-HNNXBMFYSA-N 0 1 361.511 2.854 20 10 FFCDMN Cc1nccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000134264468 728729319 /nfs/dbraw/zinc/72/93/19/728729319.db2.gz VJMAXXRPONRUFV-HNNXBMFYSA-N 0 1 360.845 2.538 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnc[nH]1 ZINC000189284085 729398183 /nfs/dbraw/zinc/39/81/83/729398183.db2.gz RYBOCQKVELONAN-UHFFFAOYSA-N 0 1 352.232 2.859 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000858164960 730418373 /nfs/dbraw/zinc/41/83/73/730418373.db2.gz JOHGYSUBRNEZOP-CJNGLKHVSA-N 0 1 350.212 2.739 20 10 FFCDMN CCO[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)[C@H]1n1cccn1 ZINC000858171120 730418639 /nfs/dbraw/zinc/41/86/39/730418639.db2.gz UPAWGCWLOJMZBR-KBAYOESNSA-N 0 1 350.413 2.736 20 10 FFCDMN CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000858434657 730425724 /nfs/dbraw/zinc/42/57/24/730425724.db2.gz MIMXYIRFNQSCJF-OLZOCXBDSA-N 0 1 354.248 2.663 20 10 FFCDMN COC(=O)C1=CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858732649 730432433 /nfs/dbraw/zinc/43/24/33/730432433.db2.gz RXVJPJYDMWUYQR-LLVKDONJSA-N 0 1 359.209 2.760 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000862417568 730699795 /nfs/dbraw/zinc/69/97/95/730699795.db2.gz AQICVCJCJRHKMY-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000862417568 730699797 /nfs/dbraw/zinc/69/97/97/730699797.db2.gz AQICVCJCJRHKMY-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN O=C1CN(Cc2cccc(Br)c2O)CN1Cc1ccccc1 ZINC000770377505 737620034 /nfs/dbraw/zinc/62/00/34/737620034.db2.gz ADNJKMMIDXVAPM-UHFFFAOYSA-N 0 1 361.239 2.957 20 10 FFCDMN CN1CCN(c2ccc(CNc3nnc([C@@H]4CCCO4)s3)cc2)CC1 ZINC000865295420 730936135 /nfs/dbraw/zinc/93/61/35/730936135.db2.gz DYKKHZVELGCDRL-INIZCTEOSA-N 0 1 359.499 2.754 20 10 FFCDMN Cc1ccc([C@H](C)NCc2c(I)cnn2C)c(O)c1 ZINC000866631070 731081939 /nfs/dbraw/zinc/08/19/39/731081939.db2.gz DHHSFLDUWATKLX-JTQLQIEISA-N 0 1 371.222 2.890 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780398241 738539971 /nfs/dbraw/zinc/53/99/71/738539971.db2.gz SYSFSSAFGFEDBN-UHFFFAOYSA-N 0 1 357.334 2.917 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876642871 732264481 /nfs/dbraw/zinc/26/44/81/732264481.db2.gz OFEWXBILFJEAAD-SNVBAGLBSA-N 0 1 356.394 2.511 20 10 FFCDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538976 732384070 /nfs/dbraw/zinc/38/40/70/732384070.db2.gz HPZNLTUCMNSNFV-VIFPVBQESA-N 0 1 352.303 2.561 20 10 FFCDMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538976 732384073 /nfs/dbraw/zinc/38/40/73/732384073.db2.gz HPZNLTUCMNSNFV-VIFPVBQESA-N 0 1 352.303 2.561 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693704 732414966 /nfs/dbraw/zinc/41/49/66/732414966.db2.gz OGMZUWMAWHWGFF-WCBMZHEXSA-N 0 1 354.166 2.757 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693704 732414967 /nfs/dbraw/zinc/41/49/67/732414967.db2.gz OGMZUWMAWHWGFF-WCBMZHEXSA-N 0 1 354.166 2.757 20 10 FFCDMN OC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1C(F)(F)F ZINC000877693704 732414968 /nfs/dbraw/zinc/41/49/68/732414968.db2.gz OGMZUWMAWHWGFF-WCBMZHEXSA-N 0 1 354.166 2.757 20 10 FFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774994 732427760 /nfs/dbraw/zinc/42/77/60/732427760.db2.gz IERSZHZGVQIENR-CQSZACIVSA-N 0 1 366.767 2.697 20 10 FFCDMN C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000883308456 733366382 /nfs/dbraw/zinc/36/63/82/733366382.db2.gz POWSSCQMQJNBTI-PWSUYJOCSA-N 0 1 362.289 2.773 20 10 FFCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000715783424 734372319 /nfs/dbraw/zinc/37/23/19/734372319.db2.gz AQZRXPOUGMRQIR-UHFFFAOYSA-N 0 1 368.268 2.549 20 10 FFCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000715783424 734372321 /nfs/dbraw/zinc/37/23/21/734372321.db2.gz AQZRXPOUGMRQIR-UHFFFAOYSA-N 0 1 368.268 2.549 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)N1CCc2sc(CN)nc2C1 ZINC000892882380 734617909 /nfs/dbraw/zinc/61/79/09/734617909.db2.gz KFUZULCPALTPFD-UHFFFAOYSA-N 0 1 360.483 2.698 20 10 FFCDMN Oc1c(Br)cc(Cl)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000894429612 734856749 /nfs/dbraw/zinc/85/67/49/734856749.db2.gz VXHXXSKQBBCENJ-LLVKDONJSA-N 0 1 374.622 2.765 20 10 FFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000740700947 735081705 /nfs/dbraw/zinc/08/17/05/735081705.db2.gz MUXGZTDVOVTZLY-UHFFFAOYSA-N 0 1 350.371 2.525 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896568466 735175157 /nfs/dbraw/zinc/17/51/57/735175157.db2.gz NFWWOTCEILSYGP-NVXWUHKLSA-N 0 1 360.527 2.520 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896568466 735175158 /nfs/dbraw/zinc/17/51/58/735175158.db2.gz NFWWOTCEILSYGP-NVXWUHKLSA-N 0 1 360.527 2.520 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897257897 735211715 /nfs/dbraw/zinc/21/17/15/735211715.db2.gz CTDQMQUCEFDABG-CQSZACIVSA-N 0 1 356.260 2.661 20 10 FFCDMN Cn1nccc1[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC000897567495 735249267 /nfs/dbraw/zinc/24/92/67/735249267.db2.gz KEIGBEAQAMVKRO-AWEZNQCLSA-N 0 1 370.222 2.601 20 10 FFCDMN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825395 735996375 /nfs/dbraw/zinc/99/63/75/735996375.db2.gz MQMDEJIGVQMAGC-STQMWFEESA-N 0 1 351.401 2.736 20 10 FFCDMN O=[N+]([O-])c1cc(CN[C@H](CO)CC(F)(F)F)ccc1N1CCCCC1 ZINC000756994440 736382089 /nfs/dbraw/zinc/38/20/89/736382089.db2.gz RDXQKNRFJKMSHM-ZDUSSCGKSA-N 0 1 361.364 2.988 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000757654710 736416506 /nfs/dbraw/zinc/41/65/06/736416506.db2.gz NHSQYGJYVOQPGM-ZYHUDNBSSA-N 0 1 362.289 2.773 20 10 FFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000766368020 737223319 /nfs/dbraw/zinc/22/33/19/737223319.db2.gz CWCPQZXYTLHXBU-UHFFFAOYSA-N 0 1 359.363 2.958 20 10 FFCDMN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054983 737690017 /nfs/dbraw/zinc/69/00/17/737690017.db2.gz ASGXYEDUFBCOGD-YQQAZPJKSA-N 0 1 352.862 2.551 20 10 FFCDMN CN1CCN(c2ccc([C@@H]3Nc4cc(Cl)ccc4C(=O)N3)cc2)CC1 ZINC000771520610 737732071 /nfs/dbraw/zinc/73/20/71/737732071.db2.gz LIXHSAXWDGWDNY-GOSISDBHSA-N 0 1 356.857 2.946 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000775286479 738078551 /nfs/dbraw/zinc/07/85/51/738078551.db2.gz JUXWRBBOSOCULG-UHFFFAOYSA-N 0 1 358.375 2.528 20 10 FFCDMN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775493406 738096849 /nfs/dbraw/zinc/09/68/49/738096849.db2.gz ZSUBPGYRVLNVQA-HNNXBMFYSA-N 0 1 360.907 2.900 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cc(Br)ccc1[O-] ZINC000775503134 738097918 /nfs/dbraw/zinc/09/79/18/738097918.db2.gz BYSHFGOWZBXBBK-UKRRQHHQSA-N 0 1 357.292 2.916 20 10 FFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741739 738120335 /nfs/dbraw/zinc/12/03/35/738120335.db2.gz PZANGJMADPRIBT-ZBEGNZNMSA-N 0 1 353.825 2.864 20 10 FFCDMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2SC)cnc1Cl ZINC000792702656 739695394 /nfs/dbraw/zinc/69/53/94/739695394.db2.gz 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20 10 FFCDMN O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001279981468 1044029138 /nfs/dbraw/zinc/02/91/38/1044029138.db2.gz AMRLWJXIRBXTKP-CWTRNNRKSA-N 0 1 374.824 2.917 20 10 FFCDMN O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001279981468 1044029148 /nfs/dbraw/zinc/02/91/48/1044029148.db2.gz AMRLWJXIRBXTKP-CWTRNNRKSA-N 0 1 374.824 2.917 20 10 FFCDMN C[C@@H]1CN(C(=O)[C@@H]2CC23CN(Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 ZINC001279983155 1044034828 /nfs/dbraw/zinc/03/48/28/1044034828.db2.gz FEOJQPILEOOKOZ-IOASZLSFSA-N 0 1 364.873 2.503 20 10 FFCDMN Cc1ccccc1CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001312218136 1044070850 /nfs/dbraw/zinc/07/08/50/1044070850.db2.gz DRENSVSBLGKKJD-UHFFFAOYSA-N 0 1 366.509 2.789 20 10 FFCDMN Cc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]n1 ZINC001318418612 1045296584 /nfs/dbraw/zinc/29/65/84/1045296584.db2.gz HCTBELQFEBDZPK-UHFFFAOYSA-N 0 1 354.376 2.863 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC001321839867 1045829752 /nfs/dbraw/zinc/82/97/52/1045829752.db2.gz QLSQIASCBRSGEF-UHFFFAOYSA-N 0 1 374.554 2.911 20 10 FFCDMN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc2cncn21 ZINC001324978696 1046318196 /nfs/dbraw/zinc/31/81/96/1046318196.db2.gz YCUCTSNCGOSDEG-UHFFFAOYSA-N 0 1 364.449 2.752 20 10 FFCDMN COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Br)cc(F)c1O ZINC001331546318 1047994938 /nfs/dbraw/zinc/99/49/38/1047994938.db2.gz DBTNHBAQBMLXBR-SECBINFHSA-N 0 1 374.128 2.877 20 10 FFCDMN CN(C)c1cc(F)c(CNCCn2cc(Br)cn2)cc1F ZINC001328702548 1048428128 /nfs/dbraw/zinc/42/81/28/1048428128.db2.gz IXTZLFCUQFDYNA-UHFFFAOYSA-N 0 1 359.218 2.780 20 10 FFCDMN CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737782620 1048657473 /nfs/dbraw/zinc/65/74/73/1048657473.db2.gz RRPMQYWFEMYLCK-ZDUSSCGKSA-N 0 1 354.410 2.934 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001330213866 1049084791 /nfs/dbraw/zinc/08/47/91/1049084791.db2.gz LAZKGOKLVQMWBQ-MSOLQXFVSA-N 0 1 368.481 2.711 20 10 FFCDMN CN1CCN(c2ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc2F)CC1 ZINC001330709812 1049286162 /nfs/dbraw/zinc/28/61/62/1049286162.db2.gz MIZWJABLOWTXNM-UHFFFAOYSA-N 0 1 351.466 2.510 20 10 FFCDMN Cc1cc(Br)cc(CNCc2nc(-c3ccccn3)n[nH]2)c1O ZINC001308767759 1052497694 /nfs/dbraw/zinc/49/76/94/1052497694.db2.gz WZRHCSSCYGBHSO-UHFFFAOYSA-N 0 1 374.242 2.933 20 10 FFCDMN CC[C@H](C)N1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001338750878 1055782769 /nfs/dbraw/zinc/78/27/69/1055782769.db2.gz ZSMXQHMWWMFFNU-LBPRGKRZSA-N 0 1 372.498 2.718 20 10 FFCDMN Cc1cc(CC(=O)N2CCN(CCO)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC001447791499 1058705791 /nfs/dbraw/zinc/70/57/91/1058705791.db2.gz LYZLRALARQUNGQ-UHFFFAOYSA-N 0 1 369.509 2.552 20 10 FFCDMN O=C(c1c([O-])c(O)ccc1F)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001457810514 1060448373 /nfs/dbraw/zinc/44/83/73/1060448373.db2.gz ORPKGKRDUZKIAU-UHFFFAOYSA-N 0 1 367.380 2.748 20 10 FFCDMN C[C@@H](NCc1c(O)cccc1Br)C(=O)NCc1ccccc1 ZINC001461109707 1061214907 /nfs/dbraw/zinc/21/49/07/1061214907.db2.gz KZXMNQPTZBORMA-GFCCVEGCSA-N 0 1 363.255 2.949 20 10 FFCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NCc1ccccc1 ZINC001461109707 1061214928 /nfs/dbraw/zinc/21/49/28/1061214928.db2.gz KZXMNQPTZBORMA-GFCCVEGCSA-N 0 1 363.255 2.949 20 10 FFCDMN O=C(c1cccc(F)c1)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC001461856183 1061428470 /nfs/dbraw/zinc/42/84/70/1061428470.db2.gz ZGALFLLHJWTSNZ-UHFFFAOYSA-N 0 1 350.340 2.768 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN(CC(C)C)CC1 ZINC001470555538 1064362683 /nfs/dbraw/zinc/36/26/83/1064362683.db2.gz GMSINZKWGXBFMG-GOSISDBHSA-N 0 1 360.546 2.975 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CCOc3ccccc3F)cc2)CC1 ZINC001471563513 1064716139 /nfs/dbraw/zinc/71/61/39/1064716139.db2.gz FWOLFQXOZDPEEH-UHFFFAOYSA-N 0 1 371.456 2.663 20 10 FFCDMN O=C(NCc1cc(O)ccc1O)c1cc(Br)cc2nc[nH]c21 ZINC001471662277 1064751668 /nfs/dbraw/zinc/75/16/68/1064751668.db2.gz XDSKMSHUWBGAKR-UHFFFAOYSA-N 0 1 362.183 2.667 20 10 FFCDMN CCOCc1cc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1OC ZINC001474286040 1065484942 /nfs/dbraw/zinc/48/49/42/1065484942.db2.gz DIQNGDMTWUDUEM-INIZCTEOSA-N 0 1 366.458 2.872 20 10 FFCDMN CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001588946431 1080277122 /nfs/dbraw/zinc/27/71/22/1080277122.db2.gz GPIXNFGYDNODHA-HXUWFJFHSA-N 0 1 371.481 2.633 20 10 FFCDMN C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277322507 510961039 /nfs/dbraw/zinc/96/10/39/510961039.db2.gz DPFOINIFWHVHJT-STQMWFEESA-N 0 1 370.291 2.827 20 10 FFCDMN Cc1nnc(SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000073476513 507923130 /nfs/dbraw/zinc/92/31/30/507923130.db2.gz WVYVNJDLCFEWAM-UHFFFAOYSA-N 0 1 359.499 2.758 20 10 FFCDMN Cc1n[nH]c(SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000073476513 507923133 /nfs/dbraw/zinc/92/31/33/507923133.db2.gz WVYVNJDLCFEWAM-UHFFFAOYSA-N 0 1 359.499 2.758 20 10 FFCDMN Oc1ccc(Br)cc1CN1CCCN(c2ncccn2)CC1 ZINC000093056342 508117809 /nfs/dbraw/zinc/11/78/09/508117809.db2.gz LZYRSAVCHVQXEH-UHFFFAOYSA-N 0 1 363.259 2.657 20 10 FFCDMN CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000155365070 508986270 /nfs/dbraw/zinc/98/62/70/508986270.db2.gz BFQAHOMBHNLAGL-JTQLQIEISA-N 0 1 369.181 2.874 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)[C@](C)(N)c3ccccc3)CC2)cc1 ZINC000192521677 509546086 /nfs/dbraw/zinc/54/60/86/509546086.db2.gz PJYMOIPZCPCEEI-OAQYLSRUSA-N 0 1 353.466 2.608 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179882718 509659897 /nfs/dbraw/zinc/65/98/97/509659897.db2.gz HUJWNQZQTYJAGB-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN COc1ccc(N2CCN(CCN[C@@H](C)c3csc(C)n3)CC2)cc1 ZINC000269384909 510375740 /nfs/dbraw/zinc/37/57/40/510375740.db2.gz ARCMSXCWIHYNQR-HNNXBMFYSA-N 0 1 360.527 2.933 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191206095 510547391 /nfs/dbraw/zinc/54/73/91/510547391.db2.gz DCIRUPSOXTVUIC-CYBMUJFWSA-N 0 1 362.424 2.668 20 10 FFCDMN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000184916746 510581424 /nfs/dbraw/zinc/58/14/24/510581424.db2.gz SKTRLTTUJGHXQJ-JTQLQIEISA-N 0 1 353.216 2.828 20 10 FFCDMN CCCOc1ccc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c(O)c1 ZINC000285485962 510926618 /nfs/dbraw/zinc/92/66/18/510926618.db2.gz LYAHIGMXFIYCEZ-QGZVFWFLSA-N 0 1 372.469 2.930 20 10 FFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247243 510986348 /nfs/dbraw/zinc/98/63/48/510986348.db2.gz OULFVKPSDIGNFX-CYBMUJFWSA-N 0 1 374.397 2.949 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247243 510986353 /nfs/dbraw/zinc/98/63/53/510986353.db2.gz OULFVKPSDIGNFX-CYBMUJFWSA-N 0 1 374.397 2.949 20 10 FFCDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000286013655 511017848 /nfs/dbraw/zinc/01/78/48/511017848.db2.gz ZSRGBWOBSDCJMG-AEFFLSMTSA-N 0 1 365.437 2.814 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCCO)Cc2ccccn2)c1[O-] ZINC000289441838 511101784 /nfs/dbraw/zinc/10/17/84/511101784.db2.gz MBBTVUDIQGJXAS-UHFFFAOYSA-N 0 1 351.790 2.733 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291356002 511165065 /nfs/dbraw/zinc/16/50/65/511165065.db2.gz XTRIWJNNLUUZJH-LLVKDONJSA-N 0 1 350.203 2.913 20 10 FFCDMN CN(Cc1cnn(CC(F)F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000294776938 511174388 /nfs/dbraw/zinc/17/43/88/511174388.db2.gz BJPJGDMOUXZCDD-UHFFFAOYSA-N 0 1 350.413 2.617 20 10 FFCDMN COc1cc(N2CCN(CCOCC(C)C)CC2)cc(OC)c1OC ZINC000283240464 511290685 /nfs/dbraw/zinc/29/06/85/511290685.db2.gz JHZAOEYPPNMCMD-UHFFFAOYSA-N 0 1 352.475 2.507 20 10 FFCDMN C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439973 511526610 /nfs/dbraw/zinc/52/66/10/511526610.db2.gz MPWSWBSCARVTJP-YMTOWFKASA-N 0 1 363.767 2.880 20 10 FFCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000284251866 511657099 /nfs/dbraw/zinc/65/70/99/511657099.db2.gz INKCUEJYIZHBHU-ITDIGPHOSA-N 0 1 360.292 2.963 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000365845405 511683182 /nfs/dbraw/zinc/68/31/82/511683182.db2.gz CWCGMIKOJPIIPE-CYBMUJFWSA-N 0 1 352.232 2.807 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000365845406 511683892 /nfs/dbraw/zinc/68/38/92/511683892.db2.gz CWCGMIKOJPIIPE-ZDUSSCGKSA-N 0 1 352.232 2.807 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000284944218 511939912 /nfs/dbraw/zinc/93/99/12/511939912.db2.gz VPIGGPVHXBLGDJ-UCMVZMLTSA-N 0 1 362.861 2.792 20 10 FFCDMN COC1CCN(c2ccc(CN(CCO)Cc3cccnc3)cc2)CC1 ZINC000296903740 511943122 /nfs/dbraw/zinc/94/31/22/511943122.db2.gz ZKVPPUWWPIKIMP-UHFFFAOYSA-N 0 1 355.482 2.691 20 10 FFCDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=C2C(=C1)CCc1ccccc12 ZINC000521076612 517605528 /nfs/dbraw/zinc/60/55/28/517605528.db2.gz VJPKKDHNUWJWDN-UHFFFAOYSA-N 0 1 373.441 2.818 20 10 FFCDMN Cn1cc([C@H]2CC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)cn1 ZINC000739026060 600214495 /nfs/dbraw/zinc/21/44/95/600214495.db2.gz IMFDLZUHPSZDGP-AWEZNQCLSA-N 0 1 351.406 2.967 20 10 FFCDMN COC(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000737708466 600314919 /nfs/dbraw/zinc/31/49/19/600314919.db2.gz MIJUGGRWARKFPE-UHFFFAOYSA-N 0 1 363.797 2.919 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694958 604644813 /nfs/dbraw/zinc/64/48/13/604644813.db2.gz GAGGBLHEUUSVID-IBGZPJMESA-N 0 1 358.413 2.920 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000833695604 605041330 /nfs/dbraw/zinc/04/13/30/605041330.db2.gz TUTZRKRSLXJNNF-LJQANCHMSA-N 0 1 358.413 2.920 20 10 FFCDMN COc1ccc(O)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000833733417 605239065 /nfs/dbraw/zinc/23/90/65/605239065.db2.gz HHPMHFRHUVWSEK-AWEZNQCLSA-N 0 1 356.422 2.810 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899153 605912877 /nfs/dbraw/zinc/91/28/77/605912877.db2.gz ZFEFLFPFGGQATM-NSHDSACASA-N 0 1 357.248 2.895 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899153 605912881 /nfs/dbraw/zinc/91/28/81/605912881.db2.gz ZFEFLFPFGGQATM-NSHDSACASA-N 0 1 357.248 2.895 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899153 605912884 /nfs/dbraw/zinc/91/28/84/605912884.db2.gz ZFEFLFPFGGQATM-NSHDSACASA-N 0 1 357.248 2.895 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c1O ZINC000833897410 605996129 /nfs/dbraw/zinc/99/61/29/605996129.db2.gz KEBLQMWGUXJOOI-MNOVXSKESA-N 0 1 357.248 2.941 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CN(CC)C1CC1 ZINC000153745959 728787292 /nfs/dbraw/zinc/78/72/92/728787292.db2.gz CEUGYKSRYGGHNP-UHFFFAOYSA-N 0 1 355.276 2.988 20 10 FFCDMN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Cl)C2)c1Cl ZINC000898363899 735346078 /nfs/dbraw/zinc/34/60/78/735346078.db2.gz FSZCGXXBXRGYKQ-VIFPVBQESA-N 0 1 355.225 2.563 20 10 FFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(O)ccc1Br ZINC000005450620 727781017 /nfs/dbraw/zinc/78/10/17/727781017.db2.gz WBGZIMNWKHTCOV-UKTHLTGXSA-N 0 1 359.179 2.616 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017717 728473380 /nfs/dbraw/zinc/47/33/80/728473380.db2.gz CWQPGLAZEXQEPH-CQSZACIVSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@@H]1CN=C(N2CCN(Cc3cccc(Br)c3O)CC2)S1 ZINC000093663088 728477050 /nfs/dbraw/zinc/47/70/50/728477050.db2.gz PHUGGXDRSXNLQX-LLVKDONJSA-N 0 1 370.316 2.764 20 10 FFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000093769503 728477752 /nfs/dbraw/zinc/47/77/52/728477752.db2.gz PKMQTKYEWNTDFD-UHFFFAOYSA-N 0 1 371.319 2.945 20 10 FFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000093769503 728477753 /nfs/dbraw/zinc/47/77/53/728477753.db2.gz PKMQTKYEWNTDFD-UHFFFAOYSA-N 0 1 371.319 2.945 20 10 FFCDMN CN(Cc1cc(Br)cn1C)Cc1cc2c(cc1O)OCO2 ZINC000122781373 728651593 /nfs/dbraw/zinc/65/15/93/728651593.db2.gz CAHXVIOOAXZMOS-UHFFFAOYSA-N 0 1 353.216 2.854 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CSC)cc2F)CC1 ZINC000133478038 728727067 /nfs/dbraw/zinc/72/70/67/728727067.db2.gz AWNQFMCEMLUPAH-CQSZACIVSA-N 0 1 368.522 2.518 20 10 FFCDMN C[C@H](OCC1CC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262426 728729280 /nfs/dbraw/zinc/72/92/80/728729280.db2.gz QHRGJXFYBBPJJJ-SUMWQHHRSA-N 0 1 366.889 2.941 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000856595268 730346599 /nfs/dbraw/zinc/34/65/99/730346599.db2.gz RWPLCBLKLMOICP-KRWDZBQOSA-N 0 1 369.824 2.700 20 10 FFCDMN COc1cccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858133784 730417444 /nfs/dbraw/zinc/41/74/44/730417444.db2.gz XXSKPKRZBRLGQO-MRXNPFEDSA-N 0 1 352.228 2.987 20 10 FFCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862240418 730680287 /nfs/dbraw/zinc/68/02/87/730680287.db2.gz PLMIHZBPROOFFP-GFCCVEGCSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240418 730680291 /nfs/dbraw/zinc/68/02/91/730680291.db2.gz PLMIHZBPROOFFP-GFCCVEGCSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240418 730680292 /nfs/dbraw/zinc/68/02/92/730680292.db2.gz PLMIHZBPROOFFP-GFCCVEGCSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862240418 730680293 /nfs/dbraw/zinc/68/02/93/730680293.db2.gz PLMIHZBPROOFFP-GFCCVEGCSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862418476 730699807 /nfs/dbraw/zinc/69/98/07/730699807.db2.gz JWMDTGXYOWKKFW-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862418476 730699809 /nfs/dbraw/zinc/69/98/09/730699809.db2.gz JWMDTGXYOWKKFW-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN CCCN(Cc1ccccc1O)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876654322 732266054 /nfs/dbraw/zinc/26/60/54/732266054.db2.gz CDQQWVZBYGEGFJ-UHFFFAOYSA-N 0 1 352.431 2.591 20 10 FFCDMN c1cc(N2CCSCC2)ccc1CNCc1cc2c(cn1)OCCO2 ZINC000876942799 732300364 /nfs/dbraw/zinc/30/03/64/732300364.db2.gz FXAVHXMKPINZHS-UHFFFAOYSA-N 0 1 357.479 2.696 20 10 FFCDMN COc1nsc(CNCc2cc(OC)ccc2O)c1Br ZINC000877035284 732316011 /nfs/dbraw/zinc/31/60/11/732316011.db2.gz DJBAJFSUGKLHCA-UHFFFAOYSA-N 0 1 359.245 2.918 20 10 FFCDMN O=C1N[C@@H](c2cccc(Br)c2O)N2Cc3ccccc3C[C@@H]12 ZINC000877866059 732446334 /nfs/dbraw/zinc/44/63/34/732446334.db2.gz DCBRZAPJMTXPCF-GOEBONIOSA-N 0 1 359.223 2.710 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000781911919 738671550 /nfs/dbraw/zinc/67/15/50/738671550.db2.gz UZKDVNYSORNFHQ-IUODEOHRSA-N 0 1 367.287 2.954 20 10 FFCDMN NC(=O)C1CCN(c2ccc(CNCc3cccnc3Cl)cc2)CC1 ZINC000886325077 733773656 /nfs/dbraw/zinc/77/36/56/733773656.db2.gz SNRONOCKLOOILM-UHFFFAOYSA-N 0 1 358.873 2.727 20 10 FFCDMN CCC(=O)N1CCCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893967783 734779067 /nfs/dbraw/zinc/77/90/67/734779067.db2.gz SMQPVGFPKQGHIA-UHFFFAOYSA-N 0 1 359.239 2.738 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000893995360 734784078 /nfs/dbraw/zinc/78/40/78/734784078.db2.gz VLGTVFVHIUCVQI-JTQLQIEISA-N 0 1 360.223 2.879 20 10 FFCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894014555 734786741 /nfs/dbraw/zinc/78/67/41/734786741.db2.gz MQLUVBJZCQBXGT-ZDUSSCGKSA-N 0 1 371.250 2.881 20 10 FFCDMN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cccc(Br)c1O ZINC000895864362 735066603 /nfs/dbraw/zinc/06/66/03/735066603.db2.gz ODBPTDNJKGLVFU-TZMCWYRMSA-N 0 1 372.259 2.745 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000740900028 735097469 /nfs/dbraw/zinc/09/74/69/735097469.db2.gz IWTRBRIFELYZLU-OLZOCXBDSA-N 0 1 362.289 2.600 20 10 FFCDMN O=C1NCCC2(CC[NH+](Cc3ccc(Br)cc3[O-])CC2)O1 ZINC000897010769 735191761 /nfs/dbraw/zinc/19/17/61/735191761.db2.gz RTIRQJHHKLAMHO-UHFFFAOYSA-N 0 1 355.232 2.619 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897257896 735211658 /nfs/dbraw/zinc/21/16/58/735211658.db2.gz CTDQMQUCEFDABG-AWEZNQCLSA-N 0 1 356.260 2.661 20 10 FFCDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000742373670 735234528 /nfs/dbraw/zinc/23/45/28/735234528.db2.gz AXYYOZYAGBWQMO-KRWDZBQOSA-N 0 1 357.841 2.974 20 10 FFCDMN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756523631 736338612 /nfs/dbraw/zinc/33/86/12/736338612.db2.gz CYHGDQMLZMPTAJ-CZUORRHYSA-N 0 1 353.894 2.639 20 10 FFCDMN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)ccc1[O-] ZINC000756758100 736359492 /nfs/dbraw/zinc/35/94/92/736359492.db2.gz HBONIXRAFNZEIV-JTQLQIEISA-N 0 1 362.289 2.630 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2n(n1)CCCC2=O ZINC000908210326 736740797 /nfs/dbraw/zinc/74/07/97/736740797.db2.gz ANLNWCGZRZUZTE-UHFFFAOYSA-N 0 1 354.193 2.802 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000761497850 736740963 /nfs/dbraw/zinc/74/09/63/736740963.db2.gz BUTGCAODKXLVEZ-DZGCQCFKSA-N 0 1 358.276 2.983 20 10 FFCDMN Cn1nnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(F)(F)F ZINC000908210746 736740999 /nfs/dbraw/zinc/74/09/99/736740999.db2.gz CNHFCPMNYVPUDW-UHFFFAOYSA-N 0 1 369.130 2.776 20 10 FFCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1 ZINC000761994655 736780795 /nfs/dbraw/zinc/78/07/95/736780795.db2.gz BBNGGQALUJEIAK-UHFFFAOYSA-N 0 1 364.423 2.939 20 10 FFCDMN CCOC(=O)[C@H]1CSCCN1Cc1cccc(Br)c1O ZINC000768231363 737407819 /nfs/dbraw/zinc/40/78/19/737407819.db2.gz WDVHEOBVKYSUHW-GFCCVEGCSA-N 0 1 360.273 2.635 20 10 FFCDMN CN(Cc1ccc(Br)o1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441155 737423169 /nfs/dbraw/zinc/42/31/69/737423169.db2.gz WKEJIORXWVOSIC-CYBMUJFWSA-N 0 1 354.200 2.806 20 10 FFCDMN O=C(C[C@@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915982 737476887 /nfs/dbraw/zinc/47/68/87/737476887.db2.gz OOMMOSTVMQWMNO-HOTGVXAUSA-N 0 1 352.862 2.695 20 10 FFCDMN O=C(CCOCC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771056692 737689923 /nfs/dbraw/zinc/68/99/23/737689923.db2.gz GOBYBXMEFOTAPN-KRWDZBQOSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=O ZINC000771058863 737690428 /nfs/dbraw/zinc/69/04/28/737690428.db2.gz OINMAEQUGUWPPM-CQSZACIVSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=O ZINC000771058863 737690429 /nfs/dbraw/zinc/69/04/29/737690429.db2.gz OINMAEQUGUWPPM-CQSZACIVSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=O ZINC000771058863 737690430 /nfs/dbraw/zinc/69/04/30/737690430.db2.gz OINMAEQUGUWPPM-CQSZACIVSA-N 0 1 361.829 2.541 20 10 FFCDMN CN1CCN(c2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2)CC1 ZINC000771514923 737732066 /nfs/dbraw/zinc/73/20/66/737732066.db2.gz WSCGBPYYLYEZPB-FOWTUZBSSA-N 0 1 359.520 2.802 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000775288051 738079113 /nfs/dbraw/zinc/07/91/13/738079113.db2.gz SSXIXKJMTCXOBA-UHFFFAOYSA-N 0 1 364.404 2.589 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775663584 738110217 /nfs/dbraw/zinc/11/02/17/738110217.db2.gz OGYWIASKKRUXPV-VXGBXAGGSA-N 0 1 358.841 2.548 20 10 FFCDMN CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000788524797 739254329 /nfs/dbraw/zinc/25/43/29/739254329.db2.gz UXZSDRACKZSDQK-UHFFFAOYSA-N 0 1 350.216 2.798 20 10 FFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)[nH]n1 ZINC000791338349 739549573 /nfs/dbraw/zinc/54/95/73/739549573.db2.gz CJCWNOYGLJFYNH-UHFFFAOYSA-N 0 1 351.248 2.901 20 10 FFCDMN CN(C)Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804736392 740901193 /nfs/dbraw/zinc/90/11/93/740901193.db2.gz UTNYVMSTSYCUBE-UHFFFAOYSA-N 0 1 364.243 2.541 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000805136389 740944211 /nfs/dbraw/zinc/94/42/11/740944211.db2.gz DQGBRLITBNJNKO-CYBMUJFWSA-N 0 1 358.269 2.983 20 10 FFCDMN CCC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805207785 740950066 /nfs/dbraw/zinc/95/00/66/740950066.db2.gz ZEANWOPZROKYHX-LLVKDONJSA-N 0 1 360.241 2.509 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000807093887 741109993 /nfs/dbraw/zinc/10/99/93/741109993.db2.gz WAXSXMPHZFBXHU-VIFPVBQESA-N 0 1 372.252 2.509 20 10 FFCDMN COc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513473 741138106 /nfs/dbraw/zinc/13/81/06/741138106.db2.gz OMTYLUCIGGMBQI-UHFFFAOYSA-N 0 1 369.204 2.963 20 10 FFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808113691 741188018 /nfs/dbraw/zinc/18/80/18/741188018.db2.gz GGLBFGMMPHTNGV-UHFFFAOYSA-N 0 1 359.762 2.772 20 10 FFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000808711341 741254727 /nfs/dbraw/zinc/25/47/27/741254727.db2.gz CJKVFTYWIARSKB-PZROIBLQSA-N 0 1 365.861 2.725 20 10 FFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223888 741399490 /nfs/dbraw/zinc/39/94/90/741399490.db2.gz BQNYVTZLZLDZBA-CYBMUJFWSA-N 0 1 368.421 2.780 20 10 FFCDMN CO[C@@](C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535861 741630644 /nfs/dbraw/zinc/63/06/44/741630644.db2.gz ISIDRFKJTPSUAA-VQIMIIECSA-N 0 1 366.889 2.941 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816495180 742034379 /nfs/dbraw/zinc/03/43/79/742034379.db2.gz NBYVIHLDBCVWMT-NWDGAFQWSA-N 0 1 358.841 2.548 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816573850 742043416 /nfs/dbraw/zinc/04/34/16/742043416.db2.gz NIIUOQOZJAWMLA-LBPRGKRZSA-N 0 1 374.840 2.910 20 10 FFCDMN O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1cc(Cl)cc(Cl)c1O ZINC000816681773 742053025 /nfs/dbraw/zinc/05/30/25/742053025.db2.gz GTVJIKNIPZEQDY-SECBINFHSA-N 0 1 366.266 2.530 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000817881472 742220383 /nfs/dbraw/zinc/22/03/83/742220383.db2.gz UONFTXXCQGCPKA-NXEZZACHSA-N 0 1 358.232 2.848 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000824576011 743109480 /nfs/dbraw/zinc/10/94/80/743109480.db2.gz XEJJEWJTLFTBIC-CQSZACIVSA-N 0 1 360.907 2.648 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000824576011 743109484 /nfs/dbraw/zinc/10/94/84/743109484.db2.gz XEJJEWJTLFTBIC-CQSZACIVSA-N 0 1 360.907 2.648 20 10 FFCDMN COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824606213 743114288 /nfs/dbraw/zinc/11/42/88/743114288.db2.gz POSNVFUVUSBBGV-UHFFFAOYSA-N 0 1 354.878 2.719 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000824696562 743129718 /nfs/dbraw/zinc/12/97/18/743129718.db2.gz PCLNFUARKIAWLH-LZWOXQAQSA-N 0 1 350.415 2.825 20 10 FFCDMN CCOC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825090543 743208800 /nfs/dbraw/zinc/20/88/00/743208800.db2.gz XLQLDWJMARXRCZ-UHFFFAOYSA-N 0 1 357.248 2.865 20 10 FFCDMN Oc1ccc(Cl)cc1CN(CCN1CCOCC1)Cc1ccco1 ZINC000825305033 743245016 /nfs/dbraw/zinc/24/50/16/743245016.db2.gz AHSYGIVTRYEZFA-UHFFFAOYSA-N 0 1 350.846 2.973 20 10 FFCDMN [O-]c1c(Cl)cccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825306053 743246112 /nfs/dbraw/zinc/24/61/12/743246112.db2.gz ZADPBWJRDBULHW-UHFFFAOYSA-N 0 1 350.846 2.973 20 10 FFCDMN CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825405218 743264487 /nfs/dbraw/zinc/26/44/87/743264487.db2.gz DMAYKJTTWGSNIS-UHFFFAOYSA-N 0 1 354.248 2.749 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000825773785 743325580 /nfs/dbraw/zinc/32/55/80/743325580.db2.gz PLJDMAZCIGLNNS-QGZVFWFLSA-N 0 1 364.239 2.915 20 10 FFCDMN Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826083527 743365815 /nfs/dbraw/zinc/36/58/15/743365815.db2.gz IYDQVNUIAJFBPG-CZUORRHYSA-N 0 1 366.259 2.898 20 10 FFCDMN Cc1cc(CN2CC[C@@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830002531 745291954 /nfs/dbraw/zinc/29/19/54/745291954.db2.gz LSGINKOVBIIESF-GOSISDBHSA-N 0 1 350.528 2.852 20 10 FFCDMN C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000838771297 746710259 /nfs/dbraw/zinc/71/02/59/746710259.db2.gz KYGYQQMWOOOJTL-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[N@H+]1CCC[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000838771297 746710262 /nfs/dbraw/zinc/71/02/62/746710262.db2.gz KYGYQQMWOOOJTL-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN[C@@H](CO)c2ccnn2C)cc1 ZINC000839183898 746797187 /nfs/dbraw/zinc/79/71/87/746797187.db2.gz PYOOWYYLEHRCNC-SFHVURJKSA-N 0 1 356.495 2.941 20 10 FFCDMN COCC(COC)N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000840171305 747026508 /nfs/dbraw/zinc/02/65/08/747026508.db2.gz JMRPEBCGUXYUNX-UHFFFAOYSA-N 0 1 350.503 2.603 20 10 FFCDMN CCn1cc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000840761661 747175829 /nfs/dbraw/zinc/17/58/29/747175829.db2.gz ZPNHVALILAZXIW-CYBMUJFWSA-N 0 1 350.413 2.869 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840884493 747212591 /nfs/dbraw/zinc/21/25/91/747212591.db2.gz NWICERDISUOHEL-UHFFFAOYSA-N 0 1 368.886 2.563 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(Cl)c1 ZINC000840937424 747234743 /nfs/dbraw/zinc/23/47/43/747234743.db2.gz STCFAPPRCUDECA-UHFFFAOYSA-N 0 1 374.934 2.894 20 10 FFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840951110 747239855 /nfs/dbraw/zinc/23/98/55/747239855.db2.gz SLCRMUXXNQKGRU-LBPRGKRZSA-N 0 1 358.866 2.671 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840951110 747239857 /nfs/dbraw/zinc/23/98/57/747239857.db2.gz SLCRMUXXNQKGRU-LBPRGKRZSA-N 0 1 358.866 2.671 20 10 FFCDMN Cc1cc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840951110 747239859 /nfs/dbraw/zinc/23/98/59/747239859.db2.gz SLCRMUXXNQKGRU-LBPRGKRZSA-N 0 1 358.866 2.671 20 10 FFCDMN CNC(=O)NC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000840974461 747247966 /nfs/dbraw/zinc/24/79/66/747247966.db2.gz JDUHVGSGAQSGTP-UHFFFAOYSA-N 0 1 358.408 2.665 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC000840975509 747249035 /nfs/dbraw/zinc/24/90/35/747249035.db2.gz HAWKTKFANDTHSH-ZDUSSCGKSA-N 0 1 355.276 2.952 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1[O-] ZINC000841754021 747449505 /nfs/dbraw/zinc/44/95/05/747449505.db2.gz OYZHYNWINSOBNE-WFASDCNBSA-N 0 1 362.861 2.621 20 10 FFCDMN [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843121701 747776928 /nfs/dbraw/zinc/77/69/28/747776928.db2.gz HQWJLLKWIYRNAO-ZDUSSCGKSA-N 0 1 360.285 2.519 20 10 FFCDMN CCC[N@@H+](CCc1cccs1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846257256 748442679 /nfs/dbraw/zinc/44/26/79/748442679.db2.gz XDBYMBPADQTWNL-UHFFFAOYSA-N 0 1 360.439 2.649 20 10 FFCDMN COc1ccc(N2CC[C@@H](NCc3c(Br)cnn3C)C2)cc1 ZINC000850347547 749346873 /nfs/dbraw/zinc/34/68/73/749346873.db2.gz SXKCUZWULFLRSS-GFCCVEGCSA-N 0 1 365.275 2.560 20 10 FFCDMN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C2=CC(=O)CS2)CC1 ZINC000854334786 750285166 /nfs/dbraw/zinc/28/51/66/750285166.db2.gz RAZBATLISPAGSB-OAHLLOKOSA-N 0 1 354.516 2.787 20 10 FFCDMN CCc1onc(C)c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054707 971190722 /nfs/dbraw/zinc/19/07/22/971190722.db2.gz YQLUSKJQLMFOFY-UHFFFAOYSA-N 0 1 356.470 2.537 20 10 FFCDMN O=C1N(C2COC2)CC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001275843211 1013077307 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Cc1cc2[nH]ncc2cc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001211572649 967381690 /nfs/dbraw/zinc/38/16/90/967381690.db2.gz OOAVRLXMLVJICT-ZDUSSCGKSA-N 0 1 358.467 2.977 20 10 FFCDMN COc1cccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N(C)C)c1 ZINC000126865934 967701328 /nfs/dbraw/zinc/70/13/28/967701328.db2.gz DSDLDDWQZMJOIR-GOSISDBHSA-N 0 1 357.454 2.845 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178123747 969454652 /nfs/dbraw/zinc/45/46/52/969454652.db2.gz SVIWWSRLASGKIQ-KRWDZBQOSA-N 0 1 373.522 2.950 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3O)C2)cn1 ZINC001605487921 973612274 /nfs/dbraw/zinc/61/22/74/973612274.db2.gz AYMSOILJXSAZPO-IAGOWNOFSA-N 0 1 365.433 2.969 20 10 FFCDMN Oc1ccccc1CN(Cc1cc2c(cn1)OCCO2)C[C@H]1CCCO1 ZINC000876531763 1014294215 /nfs/dbraw/zinc/29/42/15/1014294215.db2.gz ODRRNPVPZYOMSX-QGZVFWFLSA-N 0 1 356.422 2.740 20 10 FFCDMN COC(=O)c1c(CNCc2cccc(CO)c2)c2cc(F)ccc2n1C ZINC000894239630 978379160 /nfs/dbraw/zinc/37/91/60/978379160.db2.gz LBSMPUKBHFEQRR-UHFFFAOYSA-N 0 1 356.397 2.886 20 10 FFCDMN COC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 ZINC000783697676 980127912 /nfs/dbraw/zinc/12/79/12/980127912.db2.gz PYCAOLYMZQELJY-UHFFFAOYSA-N 0 1 369.465 2.846 20 10 FFCDMN C[C@@H](O)[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877611783 1014645840 /nfs/dbraw/zinc/64/58/40/1014645840.db2.gz ZTUQSKHSHHQGNS-QVKFZJNVSA-N 0 1 358.457 2.999 20 10 FFCDMN CO[C@@H]1C[C@H]2CN(Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688868 1014683802 /nfs/dbraw/zinc/68/38/02/1014683802.db2.gz WIISUWIELCXIQZ-VQTJNVASSA-N 0 1 352.482 2.757 20 10 FFCDMN CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000051688418 980824609 /nfs/dbraw/zinc/82/46/09/980824609.db2.gz MDMDSZYNPHOFRO-GASCZTMLSA-N 0 1 363.477 2.540 20 10 FFCDMN C[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000907493789 981257753 /nfs/dbraw/zinc/25/77/53/981257753.db2.gz SSKZVMMUVSYZRJ-VQSBYGRUSA-N 0 1 359.514 2.821 20 10 FFCDMN COCc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000878230385 1014931720 /nfs/dbraw/zinc/93/17/20/1014931720.db2.gz KENVXLTVDLHRIK-UHFFFAOYSA-N 0 1 368.481 2.907 20 10 FFCDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000878292087 1014970193 /nfs/dbraw/zinc/97/01/93/1014970193.db2.gz FWTRYAVYDDNZBO-IFXJQAMLSA-N 0 1 370.522 2.945 20 10 FFCDMN CCOc1cccc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)n1 ZINC000164306627 984349282 /nfs/dbraw/zinc/34/92/82/984349282.db2.gz JXXRAPLILSMSER-UHFFFAOYSA-N 0 1 357.454 2.825 20 10 FFCDMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090649 989841596 /nfs/dbraw/zinc/84/15/96/989841596.db2.gz CJXXYQGVOLWWPM-RXVVDRJESA-N 0 1 373.541 2.992 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCCCC(=O)C3)cc2)CC1 ZINC000918844235 990510822 /nfs/dbraw/zinc/51/08/22/990510822.db2.gz BTMCWRSHQDKVMS-GOSISDBHSA-N 0 1 357.498 2.594 20 10 FFCDMN CN(C)c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)[O-] ZINC001598328500 991351518 /nfs/dbraw/zinc/35/15/18/991351518.db2.gz 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Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000158434869 508703587 /nfs/dbraw/zinc/70/35/87/508703587.db2.gz BLMJECWBDMEKSL-KDOFPFPSSA-N 0 1 372.469 2.746 20 10 FFCDMN COc1ccccc1N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159457638 508844664 /nfs/dbraw/zinc/84/46/64/508844664.db2.gz NNSUGUSTWKNHML-UHFFFAOYSA-N 0 1 358.438 2.740 20 10 FFCDMN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000185317042 510803114 /nfs/dbraw/zinc/80/31/14/510803114.db2.gz XXABVLKBICALQC-CABZTGNLSA-N 0 1 351.248 2.720 20 10 FFCDMN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277322502 510960164 /nfs/dbraw/zinc/96/01/64/510960164.db2.gz DPFOINIFWHVHJT-OLZOCXBDSA-N 0 1 370.291 2.827 20 10 FFCDMN COc1c([O-])c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225543 510984839 /nfs/dbraw/zinc/98/48/39/510984839.db2.gz MDCKQLLAIWXZHZ-MRXNPFEDSA-N 0 1 358.394 2.791 20 10 FFCDMN COc1c([O-])c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225543 510984844 /nfs/dbraw/zinc/98/48/44/510984844.db2.gz MDCKQLLAIWXZHZ-MRXNPFEDSA-N 0 1 358.394 2.791 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289866906 511117917 /nfs/dbraw/zinc/11/79/17/511117917.db2.gz VQDVDPUFIZLHOD-MWLCHTKSSA-N 0 1 368.739 2.947 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000280470594 511478135 /nfs/dbraw/zinc/47/81/35/511478135.db2.gz YOVPDFRVUUKTIE-HNNXBMFYSA-N 0 1 370.449 2.894 20 10 FFCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000280578704 511518315 /nfs/dbraw/zinc/51/83/15/511518315.db2.gz MILADWIASNPDJD-HNNXBMFYSA-N 0 1 355.404 2.968 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000280578704 511518318 /nfs/dbraw/zinc/51/83/18/511518318.db2.gz MILADWIASNPDJD-HNNXBMFYSA-N 0 1 355.404 2.968 20 10 FFCDMN C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439969 511526582 /nfs/dbraw/zinc/52/65/82/511526582.db2.gz MPWSWBSCARVTJP-OTYXRUKQSA-N 0 1 363.767 2.880 20 10 FFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000274086501 511714821 /nfs/dbraw/zinc/71/48/21/511714821.db2.gz OTIQDRIUKMEBAF-UHFFFAOYSA-N 0 1 351.809 2.706 20 10 FFCDMN CN(Cc1cn(C)nc1C(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000274517323 511861292 /nfs/dbraw/zinc/86/12/92/511861292.db2.gz XGOUEMDISQWLHX-UHFFFAOYSA-N 0 1 350.413 2.826 20 10 FFCDMN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000376827478 513004591 /nfs/dbraw/zinc/00/45/91/513004591.db2.gz IVAFEPCWNQJMLO-AXGZHGFKSA-N 0 1 356.397 2.812 20 10 FFCDMN CC[C@H](COC)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435870389 513704864 /nfs/dbraw/zinc/70/48/64/513704864.db2.gz FQUWGUYDTFPQJZ-MRXNPFEDSA-N 0 1 357.498 2.949 20 10 FFCDMN C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1[O-] ZINC000527955432 518010447 /nfs/dbraw/zinc/01/04/47/518010447.db2.gz NZTVLXNQQVTXDF-ZHRRBRCNSA-N 0 1 370.493 2.812 20 10 FFCDMN C[C@H](c1ccccc1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000833549233 605077293 /nfs/dbraw/zinc/07/72/93/605077293.db2.gz PLBAUQQWGFOGQP-OAHLLOKOSA-N 0 1 356.422 2.546 20 10 FFCDMN Cc1cc(O)c(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C ZINC000826271070 608054871 /nfs/dbraw/zinc/05/48/71/608054871.db2.gz AQGKUSMZAQPISP-LJQANCHMSA-N 0 1 365.437 2.763 20 10 FFCDMN Cc1cc(O)c(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C ZINC000826271069 608054972 /nfs/dbraw/zinc/05/49/72/608054972.db2.gz AQGKUSMZAQPISP-IBGZPJMESA-N 0 1 365.437 2.763 20 10 FFCDMN CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000153193860 728773852 /nfs/dbraw/zinc/77/38/52/728773852.db2.gz FHEQGQSNMJVACM-UHFFFAOYSA-N 0 1 354.878 2.800 20 10 FFCDMN CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H]1CCSC1 ZINC000160978154 728927708 /nfs/dbraw/zinc/92/77/08/728927708.db2.gz IZAONBFYIHMBIT-INIZCTEOSA-N 0 1 360.479 2.951 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccsc3)CC2)cc1 ZINC000032764197 727925173 /nfs/dbraw/zinc/92/51/73/727925173.db2.gz HOKHTTBLXAQIEK-UHFFFAOYSA-N 0 1 359.495 2.699 20 10 FFCDMN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079406648 728312608 /nfs/dbraw/zinc/31/26/08/728312608.db2.gz WDUUPUJSGAKZKH-CQSZACIVSA-N 0 1 350.434 2.862 20 10 FFCDMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079406648 728312614 /nfs/dbraw/zinc/31/26/14/728312614.db2.gz WDUUPUJSGAKZKH-CQSZACIVSA-N 0 1 350.434 2.862 20 10 FFCDMN CCCCNC(=O)[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079406648 728312618 /nfs/dbraw/zinc/31/26/18/728312618.db2.gz WDUUPUJSGAKZKH-CQSZACIVSA-N 0 1 350.434 2.862 20 10 FFCDMN CCN(Cc1cnn(C)c1)Cc1cc(Br)cc(OC)c1O ZINC000092437671 728467198 /nfs/dbraw/zinc/46/71/98/728467198.db2.gz JADBPRMYZHEJFL-UHFFFAOYSA-N 0 1 354.248 2.919 20 10 FFCDMN COc1cc(Br)cc(CN2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538180 728468385 /nfs/dbraw/zinc/46/83/85/728468385.db2.gz PXPBDRTVFHODTC-UHFFFAOYSA-N 0 1 371.275 2.606 20 10 FFCDMN COCC[N@@H+]1[C@H](C)CN(Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000093479055 728476391 /nfs/dbraw/zinc/47/63/91/728476391.db2.gz NPQWYZZQAGSXMN-BETUJISGSA-N 0 1 357.292 2.696 20 10 FFCDMN Cc1cc(C(=O)NCc2nnc[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000171266486 729001006 /nfs/dbraw/zinc/00/10/06/729001006.db2.gz YFCAQJYCTKAZNQ-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN O=C(CN1CCN(Cc2ccccc2O)CC1)Nc1ccc(Cl)cc1 ZINC000179587571 729189809 /nfs/dbraw/zinc/18/98/09/729189809.db2.gz DFBRJIDXDPOFLU-UHFFFAOYSA-N 0 1 359.857 2.802 20 10 FFCDMN Cc1cc(Br)cc([C@@H](C)N[C@H](CO)c2ccnn2C)c1O ZINC000858434323 730425739 /nfs/dbraw/zinc/42/57/39/730425739.db2.gz FANOMCOGZBAIOS-ZWNOBZJWSA-N 0 1 354.248 2.581 20 10 FFCDMN CCO[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241192 730492913 /nfs/dbraw/zinc/49/29/13/730492913.db2.gz GPTPQQFYHZIAMO-WMZOPIPTSA-N 0 1 366.889 2.941 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000862243582 730680719 /nfs/dbraw/zinc/68/07/19/730680719.db2.gz NNHBRLBJCUQQLP-CQSZACIVSA-N 0 1 351.441 2.865 20 10 FFCDMN C[C@](CO)([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000862433612 730702335 /nfs/dbraw/zinc/70/23/35/730702335.db2.gz ZKCCONFGAIANGK-MRXNPFEDSA-N 0 1 352.228 2.858 20 10 FFCDMN CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000866571275 731075473 /nfs/dbraw/zinc/07/54/73/731075473.db2.gz CIBISJQLPQYYLJ-GFCCVEGCSA-N 0 1 368.421 2.766 20 10 FFCDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000874042452 732000266 /nfs/dbraw/zinc/00/02/66/732000266.db2.gz HOVUIHXVXOTOOA-MRXNPFEDSA-N 0 1 360.376 2.695 20 10 FFCDMN CCc1ncsc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000878995968 732628844 /nfs/dbraw/zinc/62/88/44/732628844.db2.gz KLMRSSLERFCPOG-UHFFFAOYSA-N 0 1 359.499 2.779 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3CC34CCSCC4)cc2)CC1 ZINC000881853152 733120614 /nfs/dbraw/zinc/12/06/14/733120614.db2.gz LCUZBFCEPJYSKL-GOSISDBHSA-N 0 1 359.539 2.588 20 10 FFCDMN CCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O ZINC000727830837 734502758 /nfs/dbraw/zinc/50/27/58/734502758.db2.gz QGASLIWBUDXQDS-UHFFFAOYSA-N 0 1 352.456 2.648 20 10 FFCDMN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000731903298 734704556 /nfs/dbraw/zinc/70/45/56/734704556.db2.gz ICAPJYYMMFHYRY-ZDUSSCGKSA-N 0 1 365.821 2.764 20 10 FFCDMN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000731903298 734704558 /nfs/dbraw/zinc/70/45/58/734704558.db2.gz ICAPJYYMMFHYRY-ZDUSSCGKSA-N 0 1 365.821 2.764 20 10 FFCDMN C[C@H]([C@H](C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-])S(C)(=O)=O ZINC000894025747 734788553 /nfs/dbraw/zinc/78/85/53/734788553.db2.gz GAEVRTLTWNZXDE-DTWKUNHWSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@H]([C@H](C)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-])S(C)(=O)=O ZINC000894025747 734788556 /nfs/dbraw/zinc/78/85/56/734788556.db2.gz GAEVRTLTWNZXDE-DTWKUNHWSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[S@]1=O ZINC000894565198 734880478 /nfs/dbraw/zinc/88/04/78/734880478.db2.gz DSJYXNLPHSPFGL-AYLIAGHASA-N 0 1 350.253 2.637 20 10 FFCDMN C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[S@]1=O ZINC000894565200 734880602 /nfs/dbraw/zinc/88/06/02/734880602.db2.gz DSJYXNLPHSPFGL-ZRNGKTOUSA-N 0 1 350.253 2.637 20 10 FFCDMN CC[C@@](C)(C(=O)OC)N(Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000895010572 734951133 /nfs/dbraw/zinc/95/11/33/734951133.db2.gz ZMZQBQNDDQTIIW-IBGZPJMESA-N 0 1 351.443 2.963 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)COC(=O)N1 ZINC000896394029 735152336 /nfs/dbraw/zinc/15/23/36/735152336.db2.gz CWBBZAOSDVJSPL-LRDDRELGSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)COC(=O)N1 ZINC000896459722 735165466 /nfs/dbraw/zinc/16/54/66/735165466.db2.gz NNIIHUWPSVDPFV-INIZCTEOSA-N 0 1 369.259 2.865 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000897269243 735213072 /nfs/dbraw/zinc/21/30/72/735213072.db2.gz ABFXNOUQVLENOY-AWEZNQCLSA-N 0 1 350.415 2.948 20 10 FFCDMN CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792903 737050667 /nfs/dbraw/zinc/05/06/67/737050667.db2.gz ZGANJRSMRQQOHO-LLVKDONJSA-N 0 1 358.280 2.684 20 10 FFCDMN CN(CCN1CCCS1(=O)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000769556560 737541966 /nfs/dbraw/zinc/54/19/66/737541966.db2.gz KFCJLLISQQDOFQ-UHFFFAOYSA-N 0 1 360.479 2.527 20 10 FFCDMN COc1ccc(N2CCN(CCNCc3ncc(Cl)s3)CC2)cc1 ZINC000769907077 737582279 /nfs/dbraw/zinc/58/22/79/737582279.db2.gz GEEKORIFLBOZFD-UHFFFAOYSA-N 0 1 366.918 2.717 20 10 FFCDMN CN1CCN(c2ccc(/C=C3\N=C(c4cccs4)OC3=O)cc2)CC1 ZINC000771519112 737732045 /nfs/dbraw/zinc/73/20/45/737732045.db2.gz CJLYFGQFMQBKSY-SSZFMOIBSA-N 0 1 353.447 2.844 20 10 FFCDMN CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000775499658 738097366 /nfs/dbraw/zinc/09/73/66/738097366.db2.gz SWPZPRNTFPAYKK-DOMZBBRYSA-N 0 1 357.292 2.916 20 10 FFCDMN O=C(C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000775719474 738117089 /nfs/dbraw/zinc/11/70/89/738117089.db2.gz UOEBZZMPPAOPOE-HNNXBMFYSA-N 0 1 352.862 2.649 20 10 FFCDMN CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007355 738252939 /nfs/dbraw/zinc/25/29/39/738252939.db2.gz 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CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793360841 739773369 /nfs/dbraw/zinc/77/33/69/739773369.db2.gz AMIMLJMOQKLSGL-INIZCTEOSA-N 0 1 356.806 2.724 20 10 FFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793362545 739773908 /nfs/dbraw/zinc/77/39/08/739773908.db2.gz VQXGDJKCGGRWPP-BBRMVZONSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031926 740094031 /nfs/dbraw/zinc/09/40/31/740094031.db2.gz MWLXUMPUHZSFGW-BZNIZROVSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031926 740094033 /nfs/dbraw/zinc/09/40/33/740094033.db2.gz MWLXUMPUHZSFGW-BZNIZROVSA-N 0 1 356.806 2.724 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000797116140 740213631 /nfs/dbraw/zinc/21/36/31/740213631.db2.gz FLBOISFNNHUXHH-ZFWWWQNUSA-N 0 1 360.907 2.900 20 10 FFCDMN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798963601 740377886 /nfs/dbraw/zinc/37/78/86/740377886.db2.gz HVTLREPMCBQBPH-QGZVFWFLSA-N 0 1 359.825 2.976 20 10 FFCDMN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798963327 740377953 /nfs/dbraw/zinc/37/79/53/740377953.db2.gz CSESWOQVXKJCPA-QGZVFWFLSA-N 0 1 359.825 2.976 20 10 FFCDMN O=C(NCCOC[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805098312 740938197 /nfs/dbraw/zinc/93/81/97/740938197.db2.gz RNICKJQQIVOZQP-SNVBAGLBSA-N 0 1 363.241 2.551 20 10 FFCDMN CN(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)CC(F)(F)F ZINC000805106592 740939321 /nfs/dbraw/zinc/93/93/21/740939321.db2.gz GBNTYHAMVMAZHP-UHFFFAOYSA-N 0 1 374.190 2.992 20 10 FFCDMN C[C@@H](CN1CCCC1=O)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138256 740944558 /nfs/dbraw/zinc/94/45/58/740944558.db2.gz PEDKDUHPEHHIQB-VIFPVBQESA-N 0 1 360.241 2.509 20 10 FFCDMN CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H]1OC ZINC000805309167 740958915 /nfs/dbraw/zinc/95/89/15/740958915.db2.gz 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O=C([N-]C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C(F)(F)F ZINC000811785398 741558713 /nfs/dbraw/zinc/55/87/13/741558713.db2.gz DJXNQHUNSNPQDI-GFCCVEGCSA-N 0 1 356.388 2.771 20 10 FFCDMN CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811929609 741574919 /nfs/dbraw/zinc/57/49/19/741574919.db2.gz IDKVLRFRXYGRFS-NSHDSACASA-N 0 1 358.280 2.683 20 10 FFCDMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811929609 741574924 /nfs/dbraw/zinc/57/49/24/741574924.db2.gz IDKVLRFRXYGRFS-NSHDSACASA-N 0 1 358.280 2.683 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667855 742052294 /nfs/dbraw/zinc/05/22/94/742052294.db2.gz YHCAHYOUZBWOKU-HZPDHXFCSA-N 0 1 356.260 2.564 20 10 FFCDMN COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000818357631 742266515 /nfs/dbraw/zinc/26/65/15/742266515.db2.gz COAZNKRLXGZYQQ-DTWKUNHWSA-N 0 1 351.384 2.955 20 10 FFCDMN O=C1CN(Cc2cccc(Br)c2O)CN1CCC(F)(F)F ZINC000824708094 743132284 /nfs/dbraw/zinc/13/22/84/743132284.db2.gz DHOGAUYHMOIEAF-UHFFFAOYSA-N 0 1 367.165 2.709 20 10 FFCDMN O=C(N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824827552 743156614 /nfs/dbraw/zinc/15/66/14/743156614.db2.gz FWPZKDRDAKHBOP-ZYHUDNBSSA-N 0 1 362.779 2.888 20 10 FFCDMN O=C(N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824827552 743156619 /nfs/dbraw/zinc/15/66/19/743156619.db2.gz FWPZKDRDAKHBOP-ZYHUDNBSSA-N 0 1 362.779 2.888 20 10 FFCDMN CC(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825096797 743209492 /nfs/dbraw/zinc/20/94/92/743209492.db2.gz JIBCJBXMNPAYMG-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825131925 743216049 /nfs/dbraw/zinc/21/60/49/743216049.db2.gz VDUOLKSNAHEWFW-UHFFFAOYSA-N 0 1 354.859 2.552 20 10 FFCDMN Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000825321322 743247843 /nfs/dbraw/zinc/24/78/43/743247843.db2.gz VZIHSJPROUYYHT-AWEZNQCLSA-N 0 1 365.275 2.647 20 10 FFCDMN Cc1cc(N2CCC([NH2+]Cc3ccc(Br)cc3[O-])CC2)n[nH]1 ZINC000825635301 743304106 /nfs/dbraw/zinc/30/41/06/743304106.db2.gz YXAFRYLSNTXHOX-UHFFFAOYSA-N 0 1 365.275 2.945 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000825943885 743346833 /nfs/dbraw/zinc/34/68/33/743346833.db2.gz LRYPYSIBJPTYQP-BPUTZDHNSA-N 0 1 367.287 2.891 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)SC)cc2F)CC1 ZINC000826719535 743429562 /nfs/dbraw/zinc/42/95/62/743429562.db2.gz NGIVNDKEUKEAAY-UHFFFAOYSA-N 0 1 353.507 2.725 20 10 FFCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN1C(=O)c1cscn1 ZINC000835056534 745941041 /nfs/dbraw/zinc/94/10/41/745941041.db2.gz HDWVLCCPZOAJIY-JTQLQIEISA-N 0 1 369.849 2.988 20 10 FFCDMN COC(=O)c1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)s1 ZINC000835056213 745941086 /nfs/dbraw/zinc/94/10/86/745941086.db2.gz HDKWXDCHQFXUDU-UHFFFAOYSA-N 0 1 362.451 2.571 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCNC1=O ZINC000838865367 746725033 /nfs/dbraw/zinc/72/50/33/746725033.db2.gz SMAFUOSLKPLRQT-INIZCTEOSA-N 0 1 366.303 2.760 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744101 747446720 /nfs/dbraw/zinc/44/67/20/747446720.db2.gz DYFCEBKNQYQNEZ-NSHDSACASA-N 0 1 354.859 2.805 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000843888399 747920388 /nfs/dbraw/zinc/92/03/88/747920388.db2.gz GINMRLHJERUAGW-ZDUSSCGKSA-N 0 1 357.237 2.716 20 10 FFCDMN C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)cc(F)c1O ZINC000848560907 748960690 /nfs/dbraw/zinc/96/06/90/748960690.db2.gz MVADWGRCUXFJJA-MRVPVSSYSA-N 0 1 372.242 2.886 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1[O-] ZINC000848572849 748963690 /nfs/dbraw/zinc/96/36/90/748963690.db2.gz WLQBKBXYNOCZSK-SKDRFNHKSA-N 0 1 355.232 2.789 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1[O-] ZINC000852123567 749780411 /nfs/dbraw/zinc/78/04/11/749780411.db2.gz XKFVEMZLGIHXQV-UHFFFAOYSA-N 0 1 368.905 2.821 20 10 FFCDMN COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837615 1013065820 /nfs/dbraw/zinc/06/58/20/1013065820.db2.gz KODXIVKYPLQMRK-OAHLLOKOSA-N 0 1 366.889 2.800 20 10 FFCDMN CC(C)CN1C[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275840441 1013069895 /nfs/dbraw/zinc/06/98/95/1013069895.db2.gz KCVLLPINUPEFAX-GOSISDBHSA-N 0 1 352.862 2.505 20 10 FFCDMN CC(C)CN1C[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275840441 1013069880 /nfs/dbraw/zinc/06/98/80/1013069880.db2.gz KCVLLPINUPEFAX-GOSISDBHSA-N 0 1 352.862 2.505 20 10 FFCDMN CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275892972 1013149916 /nfs/dbraw/zinc/14/99/16/1013149916.db2.gz NNHRDOQEYWWOPL-IBGZPJMESA-N 0 1 366.889 2.897 20 10 FFCDMN CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275892972 1013149921 /nfs/dbraw/zinc/14/99/21/1013149921.db2.gz NNHRDOQEYWWOPL-IBGZPJMESA-N 0 1 366.889 2.897 20 10 FFCDMN CC(C)=CCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893819 1013151879 /nfs/dbraw/zinc/15/18/79/1013151879.db2.gz NLYSMFXTAPYESG-LJQANCHMSA-N 0 1 364.873 2.815 20 10 FFCDMN CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893819 1013151885 /nfs/dbraw/zinc/15/18/85/1013151885.db2.gz NLYSMFXTAPYESG-LJQANCHMSA-N 0 1 364.873 2.815 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275895193 1013153100 /nfs/dbraw/zinc/15/31/00/1013153100.db2.gz YARGWOJKSPBNFN-AUUYWEPGSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275895193 1013153102 /nfs/dbraw/zinc/15/31/02/1013153102.db2.gz YARGWOJKSPBNFN-AUUYWEPGSA-N 0 1 366.889 2.895 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C[C@H](C)O)C2CC2)C1 ZINC000655372315 959818041 /nfs/dbraw/zinc/81/80/41/959818041.db2.gz OFJQJQFFEUCYNZ-INIZCTEOSA-N 0 1 369.509 2.780 20 10 FFCDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(O)c1O)N1CCCC1 ZINC000177659896 961998490 /nfs/dbraw/zinc/99/84/90/961998490.db2.gz GMTLPOSYXHLVRC-QGZVFWFLSA-N 0 1 370.449 2.982 20 10 FFCDMN O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276038636 1013349978 /nfs/dbraw/zinc/34/99/78/1013349978.db2.gz YICQTKDSALVGGE-FQEVSTJZSA-N 0 1 362.445 2.525 20 10 FFCDMN CN(C)c1ccc([C@H](CNC(=O)c2cccc([S@](C)=O)c2)N(C)C)cc1 ZINC000891246378 962567888 /nfs/dbraw/zinc/56/78/88/962567888.db2.gz BRZNPYMNMKGTGX-SIBVEZHUSA-N 0 1 373.522 2.523 20 10 FFCDMN CC(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891252677 962604663 /nfs/dbraw/zinc/60/46/63/962604663.db2.gz MDFISYNNYATANP-HXUWFJFHSA-N 0 1 353.466 2.988 20 10 FFCDMN COc1cccc(N2CCN(Cc3ccc(OC)c(OC)c3O)CC2)c1 ZINC000891475743 964368331 /nfs/dbraw/zinc/36/83/31/964368331.db2.gz KNBHYYCKTBXWLA-UHFFFAOYSA-N 0 1 358.438 2.740 20 10 FFCDMN CSCc1n[nH]c(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000894600806 965503493 /nfs/dbraw/zinc/50/34/93/965503493.db2.gz NDXZLRPQVLTUAK-UHFFFAOYSA-N 0 1 369.494 2.934 20 10 FFCDMN CSCc1nnc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[nH]1 ZINC000894600806 965503500 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2.995 20 10 FFCDMN CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001278751419 1040474655 /nfs/dbraw/zinc/47/46/55/1040474655.db2.gz ZSJBMMOKEUYASE-SCTDSRPQSA-N 0 1 354.450 2.795 20 10 FFCDMN CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001254011038 1040512582 /nfs/dbraw/zinc/51/25/82/1040512582.db2.gz RUURAOHOYJDPPP-MRXNPFEDSA-N 0 1 355.404 2.882 20 10 FFCDMN COC(=O)Cc1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001249201192 1040623360 /nfs/dbraw/zinc/62/33/60/1040623360.db2.gz JSXLEDVUARHKRU-UHFFFAOYSA-N 0 1 358.413 2.569 20 10 FFCDMN CN1CCN(c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)CC1 ZINC001250773345 1041356743 /nfs/dbraw/zinc/35/67/43/1041356743.db2.gz NTRNGEORDBBNIC-UHFFFAOYSA-N 0 1 350.422 2.753 20 10 FFCDMN Oc1cc2c(cc1O)CN(C[C@@H](O)COc1ccc(F)cc1F)CCC2 ZINC001250860981 1041405313 /nfs/dbraw/zinc/40/53/13/1041405313.db2.gz QANGQMIJHUXVNJ-OAHLLOKOSA-N 0 1 365.376 2.564 20 10 FFCDMN Oc1cc2c(cc1O)CN(C[C@H](O)COc1ccc(F)cc1F)CCC2 ZINC001250860978 1041405915 /nfs/dbraw/zinc/40/59/15/1041405915.db2.gz QANGQMIJHUXVNJ-HNNXBMFYSA-N 0 1 365.376 2.564 20 10 FFCDMN CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3[O-])(C1)CCC2 ZINC001279442140 1043117580 /nfs/dbraw/zinc/11/75/80/1043117580.db2.gz MAJSLXGPTNXJHP-MOPGFXCFSA-N 0 1 365.905 2.658 20 10 FFCDMN Cc1cccc(O)c1CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001237485256 1043198469 /nfs/dbraw/zinc/19/84/69/1043198469.db2.gz FNIIKYPUOMUOHW-UHFFFAOYSA-N 0 1 365.437 2.672 20 10 FFCDMN Cc1cccc(O)c1C[N@H+]1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001237489112 1043202705 /nfs/dbraw/zinc/20/27/05/1043202705.db2.gz VKBIJKAWSVMPJM-SFHVURJKSA-N 0 1 358.482 2.552 20 10 FFCDMN [O-]c1c(I)cccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237778901 1043352243 /nfs/dbraw/zinc/35/22/43/1043352243.db2.gz CVJISFTYDDECPA-CYBMUJFWSA-N 0 1 372.250 2.667 20 10 FFCDMN CCCC[NH+]1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237779710 1043354098 /nfs/dbraw/zinc/35/40/98/1043354098.db2.gz MHRONDFFRLZCEU-UHFFFAOYSA-N 0 1 374.266 2.915 20 10 FFCDMN CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(F)ccc(F)c1[O-])C1CC(F)(F)C1 ZINC001279740014 1043562176 /nfs/dbraw/zinc/56/21/76/1043562176.db2.gz IRNGUMWKFKZWQW-XTZNXHDOSA-N 0 1 372.362 2.891 20 10 FFCDMN CN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(F)ccc(F)c1[O-])C1CC(F)(F)C1 ZINC001279740014 1043562190 /nfs/dbraw/zinc/56/21/90/1043562190.db2.gz IRNGUMWKFKZWQW-XTZNXHDOSA-N 0 1 372.362 2.891 20 10 FFCDMN CCN(CC)c1ccc(CN2CC3(C[C@H]3C(=O)NCC(F)F)C2)cc1 ZINC001279743498 1043572438 /nfs/dbraw/zinc/57/24/38/1043572438.db2.gz LTIXHNFOWJDOJQ-INIZCTEOSA-N 0 1 351.441 2.736 20 10 FFCDMN CN(C)c1ccc(CN2CC3(C[C@@H]3C(=O)N(C)C3CC(F)(F)C3)C2)cc1 ZINC001279744189 1043574243 /nfs/dbraw/zinc/57/42/43/1043574243.db2.gz RQWJHHPPBUIWHO-QGZVFWFLSA-N 0 1 363.452 2.831 20 10 FFCDMN Cc1noc(NC(=O)[C@H]2CC23CN(Cc2ccc(N(C)C)cc2)C3)c1C ZINC001279744926 1043575125 /nfs/dbraw/zinc/57/51/25/1043575125.db2.gz YICDXNBFOYIWDA-QGZVFWFLSA-N 0 1 354.454 2.818 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3ccc(F)cc3C(=O)[O-])CC2)c(OC)c1 ZINC001238240914 1043621956 /nfs/dbraw/zinc/62/19/56/1043621956.db2.gz GZXYSZHBWQCQJT-UHFFFAOYSA-N 0 1 374.412 2.863 20 10 FFCDMN CN1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1(C)C ZINC001310898720 1043762720 /nfs/dbraw/zinc/76/27/20/1043762720.db2.gz OFGRASHJFAZEQE-UHFFFAOYSA-N 0 1 364.453 2.954 20 10 FFCDMN COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001280008118 1044079708 /nfs/dbraw/zinc/07/97/08/1044079708.db2.gz KINMOBBMZLYFKI-OXJNMPFZSA-N 0 1 364.461 2.628 20 10 FFCDMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001312805919 1044173749 /nfs/dbraw/zinc/17/37/49/1044173749.db2.gz MLFRHXKXUJJHOY-INIZCTEOSA-N 0 1 353.470 2.709 20 10 FFCDMN CN(C)C(=O)[C@H]1CC12C[NH+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001280109346 1044223970 /nfs/dbraw/zinc/22/39/70/1044223970.db2.gz FYDDIEFUDNQMPT-LLVKDONJSA-N 0 1 373.678 2.718 20 10 FFCDMN COc1ccc(N2CCN(C(=O)c3ccc4cncn4c3C)CC2)cc1 ZINC001320144453 1045356359 /nfs/dbraw/zinc/35/63/59/1045356359.db2.gz DDZJZHRPUHFUTF-UHFFFAOYSA-N 0 1 350.422 2.614 20 10 FFCDMN CN(C)c1ncccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001325014522 1046335121 /nfs/dbraw/zinc/33/51/21/1046335121.db2.gz VNYCJHLLUAXKMQ-UHFFFAOYSA-N 0 1 362.424 2.552 20 10 FFCDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1[N+](=O)[O-] ZINC000731664987 1047329617 /nfs/dbraw/zinc/32/96/17/1047329617.db2.gz GBLKGFHZOBJCEA-UHFFFAOYSA-N 0 1 359.430 2.999 20 10 FFCDMN CC(C)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC001288335118 1047449769 /nfs/dbraw/zinc/44/97/69/1047449769.db2.gz ZAFSRNIZHDABRJ-UHFFFAOYSA-N 0 1 352.482 2.887 20 10 FFCDMN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000738271443 1048676556 /nfs/dbraw/zinc/67/65/56/1048676556.db2.gz XZZMJJIINUYDQF-MRXNPFEDSA-N 0 1 366.421 2.649 20 10 FFCDMN O=C(c1coc([C@@H]2CCCN2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001341690215 1050312050 /nfs/dbraw/zinc/31/20/50/1050312050.db2.gz VOUYMCXTIMGSPH-CVEARBPZSA-N 0 1 371.437 2.626 20 10 FFCDMN CCOc1ccc(N2CCN(C[C@@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC001349648269 1055389360 /nfs/dbraw/zinc/38/93/60/1055389360.db2.gz IPRFRBNMOBUIIY-IBGZPJMESA-N 0 1 362.514 2.511 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)cc1 ZINC001300281394 1056350217 /nfs/dbraw/zinc/35/02/17/1056350217.db2.gz QYOQGPYNBZVUIQ-UHFFFAOYSA-N 0 1 370.375 2.954 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(CSCCO)ccn3)cc2)CC1 ZINC001461419115 1061313915 /nfs/dbraw/zinc/31/39/15/1061313915.db2.gz XUHBUHZNHCVQKC-UHFFFAOYSA-N 0 1 372.538 2.671 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)CC1 ZINC001462470964 1061636879 /nfs/dbraw/zinc/63/68/79/1061636879.db2.gz ZRVIXAOZVWLKKY-UHFFFAOYSA-N 0 1 359.420 2.576 20 10 FFCDMN CCN1CC[C@@H]1CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001533431013 1063298468 /nfs/dbraw/zinc/29/84/68/1063298468.db2.gz RQPDAQACMQACIJ-OAHLLOKOSA-N 0 1 355.482 2.739 20 10 FFCDMN Cc1cc(CCNC(=O)NCc2n[nH]c(C)n2)c(C)n1-c1ccccc1 ZINC001470968894 1064511885 /nfs/dbraw/zinc/51/18/85/1064511885.db2.gz LSHRGBCJXOIIJH-UHFFFAOYSA-N 0 1 352.442 2.563 20 10 FFCDMN CCC1(CC)[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC001473237305 1065226304 /nfs/dbraw/zinc/22/63/04/1065226304.db2.gz BRFVHJCMFMZIJI-MOPGFXCFSA-N 0 1 361.530 2.894 20 10 FFCDMN CCOc1cccc(CNCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC001473957263 1065427690 /nfs/dbraw/zinc/42/76/90/1065427690.db2.gz IAHGHOMTDLFMAV-UHFFFAOYSA-N 0 1 355.482 2.979 20 10 FFCDMN Cc1ccc(CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)c(O)c1 ZINC001474371527 1065505399 /nfs/dbraw/zinc/50/53/99/1065505399.db2.gz IWVZTHSIROWDMU-UHFFFAOYSA-N 0 1 359.514 2.513 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474660863 1065572206 /nfs/dbraw/zinc/57/22/06/1065572206.db2.gz VVMCUUAPNCESPT-AWEZNQCLSA-N 0 1 356.850 2.771 20 10 FFCDMN COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC001474746654 1065596885 /nfs/dbraw/zinc/59/68/85/1065596885.db2.gz AGOBBUPDDLJPSO-AWEZNQCLSA-N 0 1 350.346 2.925 20 10 FFCDMN CN(C(=O)c1cn[nH]c1-c1ccc2c(c1)OCCO2)c1ccc(N)cc1 ZINC001578387340 1078468533 /nfs/dbraw/zinc/46/85/33/1078468533.db2.gz COIBOXYPZRNEGT-UHFFFAOYSA-N 0 1 350.378 2.707 20 10 FFCDMN COC(=O)c1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC001556884395 1075785202 /nfs/dbraw/zinc/78/52/02/1075785202.db2.gz YYZLJXMBFHDJQC-UHFFFAOYSA-N 0 1 369.204 2.740 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1O ZINC001561021371 1076320899 /nfs/dbraw/zinc/32/08/99/1076320899.db2.gz JXWYRFJVYXHDAG-HQJQHLMTSA-N 0 1 365.065 2.730 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)C3(C)CC3)CC2)cc1 ZINC001563620952 1076570937 /nfs/dbraw/zinc/57/09/37/1076570937.db2.gz IBULCJRMVCCZFZ-KRWDZBQOSA-N 0 1 374.529 2.695 20 10 FFCDMN O=C(Nc1c2nonc2ccc1Cl)c1ncc(Br)cn1 ZINC001586682689 1079668173 /nfs/dbraw/zinc/66/81/73/1079668173.db2.gz CGSFLEMYGKUAEB-UHFFFAOYSA-N 0 1 354.551 2.681 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1F ZINC000377350022 512228045 /nfs/dbraw/zinc/22/80/45/512228045.db2.gz HSURJIRFZXGHAC-CQSZACIVSA-N 0 1 359.449 2.752 20 10 FFCDMN CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000371327016 512331950 /nfs/dbraw/zinc/33/19/50/512331950.db2.gz LOKVCBPJZKKSKL-UHFFFAOYSA-N 0 1 354.237 2.834 20 10 FFCDMN CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000371327016 512331953 /nfs/dbraw/zinc/33/19/53/512331953.db2.gz LOKVCBPJZKKSKL-UHFFFAOYSA-N 0 1 354.237 2.834 20 10 FFCDMN CN(CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000109770722 507986668 /nfs/dbraw/zinc/98/66/68/507986668.db2.gz UPYWSADBBIFVKN-UHFFFAOYSA-N 0 1 364.392 2.784 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092097809 508042238 /nfs/dbraw/zinc/04/22/38/508042238.db2.gz GZVGJZAPSOSAJV-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN CCCOc1ccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000093646991 508150822 /nfs/dbraw/zinc/15/08/22/508150822.db2.gz WGUFSHJIPXPNKC-AEFFLSMTSA-N 0 1 355.500 2.969 20 10 FFCDMN COc1cc(Br)cc(CN2CCC[C@H](n3cncn3)C2)c1O ZINC000179464937 509457924 /nfs/dbraw/zinc/45/79/24/509457924.db2.gz BUWXBGSNONLLLZ-ZDUSSCGKSA-N 0 1 367.247 2.592 20 10 FFCDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269131068 510250086 /nfs/dbraw/zinc/25/00/86/510250086.db2.gz BDWNDMPKKFFZIF-QGZVFWFLSA-N 0 1 372.377 2.827 20 10 FFCDMN CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000184974845 510611506 /nfs/dbraw/zinc/61/15/06/510611506.db2.gz ZUVNJUIGSZOQIE-UHFFFAOYSA-N 0 1 367.453 2.544 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276752641 510945346 /nfs/dbraw/zinc/94/53/46/510945346.db2.gz FUHSYFVDPAJMML-AWEZNQCLSA-N 0 1 353.260 2.660 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322432 510960583 /nfs/dbraw/zinc/96/05/83/510960583.db2.gz DORBAJCQONBLSW-KGLIPLIRSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000277322432 510960588 /nfs/dbraw/zinc/96/05/88/510960588.db2.gz DORBAJCQONBLSW-KGLIPLIRSA-N 0 1 368.275 2.581 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NC3CC(F)(F)C3)cc2F)CC1 ZINC000277604929 510967800 /nfs/dbraw/zinc/96/78/00/510967800.db2.gz IUABDYNCVUGGBJ-UHFFFAOYSA-N 0 1 370.419 2.565 20 10 FFCDMN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750717 511006162 /nfs/dbraw/zinc/00/61/62/511006162.db2.gz SDXWIMXZGJCXSU-RISCZKNCSA-N 0 1 364.269 2.545 20 10 FFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000290522007 511144907 /nfs/dbraw/zinc/14/49/07/511144907.db2.gz QCFLBEAFLSJIKQ-CYBMUJFWSA-N 0 1 367.287 2.907 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCOCC2)O1 ZINC000280382496 511445157 /nfs/dbraw/zinc/44/51/57/511445157.db2.gz FNMLGAZPONQTCZ-NSHDSACASA-N 0 1 356.806 2.724 20 10 FFCDMN CCN1CCN(c2ccc(CNc3nnc(C(F)F)o3)cc2F)CC1 ZINC000292440098 511598604 /nfs/dbraw/zinc/59/86/04/511598604.db2.gz HMFDNWUMLYHLCB-UHFFFAOYSA-N 0 1 355.364 2.900 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000281013593 511689117 /nfs/dbraw/zinc/68/91/17/511689117.db2.gz YVIFNAPKOBIFSY-HUBLWGQQSA-N 0 1 358.276 2.840 20 10 FFCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000284363229 511698649 /nfs/dbraw/zinc/69/86/49/511698649.db2.gz NDILICIDNLMAET-JVLSTEMRSA-N 0 1 360.292 2.963 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1[O-] ZINC000363847657 511806274 /nfs/dbraw/zinc/80/62/74/511806274.db2.gz DRBJSLSSIYWXBA-YHQOMNDMSA-N 0 1 367.449 2.917 20 10 FFCDMN NC(=O)c1cc(OC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)ccn1 ZINC000367701908 512624119 /nfs/dbraw/zinc/62/41/19/512624119.db2.gz GVVDHIMCEAKECG-UHFFFAOYSA-N 0 1 361.829 2.583 20 10 FFCDMN O=C(C[C@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370809913 513107414 /nfs/dbraw/zinc/10/74/14/513107414.db2.gz KVCVNYCZUFBQNT-CZUORRHYSA-N 0 1 352.862 2.553 20 10 FFCDMN CC(C)[C@H](CO)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000554052464 518042433 /nfs/dbraw/zinc/04/24/33/518042433.db2.gz NVOIQFVSWPPQRW-KRWDZBQOSA-N 0 1 371.525 2.789 20 10 FFCDMN CC(C)[C@H](CO)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000554052464 518042444 /nfs/dbraw/zinc/04/24/44/518042444.db2.gz NVOIQFVSWPPQRW-KRWDZBQOSA-N 0 1 371.525 2.789 20 10 FFCDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000834107758 605467696 /nfs/dbraw/zinc/46/76/96/605467696.db2.gz OCVPCPCKIYMJKO-AZUAARDMSA-N 0 1 373.497 2.878 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833874579 605547495 /nfs/dbraw/zinc/54/74/95/605547495.db2.gz RRTSZOBVWWGQDG-DFNIBXOVSA-N 0 1 359.470 2.628 20 10 FFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(O)ccc1Br ZINC000033336623 727928960 /nfs/dbraw/zinc/92/89/60/727928960.db2.gz WBGZIMNWKHTCOV-LCYFTJDESA-N 0 1 359.179 2.616 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092733715 728470487 /nfs/dbraw/zinc/47/04/87/728470487.db2.gz LLAJEZGEDZDIJT-LBPRGKRZSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092733715 728470490 /nfs/dbraw/zinc/47/04/90/728470490.db2.gz LLAJEZGEDZDIJT-LBPRGKRZSA-N 0 1 355.276 2.893 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000093734746 728477485 /nfs/dbraw/zinc/47/74/85/728477485.db2.gz PPJAMJBYRDBJKP-UHFFFAOYSA-N 0 1 372.259 2.699 20 10 FFCDMN CCOC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858092747 730416278 /nfs/dbraw/zinc/41/62/78/730416278.db2.gz IJNJROLLKYMXTR-UHFFFAOYSA-N 0 1 357.248 2.865 20 10 FFCDMN Cc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2ccnn2C)c1O ZINC000858434322 730425735 /nfs/dbraw/zinc/42/57/35/730425735.db2.gz FANOMCOGZBAIOS-MFKMUULPSA-N 0 1 354.248 2.581 20 10 FFCDMN Cn1cnnc1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862226516 730678390 /nfs/dbraw/zinc/67/83/90/730678390.db2.gz HWCFOENZXWWWMD-UHFFFAOYSA-N 0 1 351.248 2.663 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1Cl ZINC000862536769 730707440 /nfs/dbraw/zinc/70/74/40/730707440.db2.gz UVXMEPKJIWACOW-QGZVFWFLSA-N 0 1 361.873 2.740 20 10 FFCDMN Cc1cc(-c2nc([C@H]3CCCN3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000647147080 730720521 /nfs/dbraw/zinc/72/05/21/730720521.db2.gz JTKJJLHBRCRIBR-CQSZACIVSA-N 0 1 354.435 2.686 20 10 FFCDMN CN(C)c1cc(F)c(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1F ZINC000864055392 730820176 /nfs/dbraw/zinc/82/01/76/730820176.db2.gz OVVMSSKPDKADAZ-HNNXBMFYSA-N 0 1 354.441 2.784 20 10 FFCDMN CN(C)c1cc(F)c(CN2CC3(CCOCC3)CC[C@H]2CO)cc1F ZINC000864055392 730820179 /nfs/dbraw/zinc/82/01/79/730820179.db2.gz OVVMSSKPDKADAZ-HNNXBMFYSA-N 0 1 354.441 2.784 20 10 FFCDMN CCOC(=O)c1cnc(N2CCN(Cc3cc(C)ccc3O)CC2)s1 ZINC000769509457 737537287 /nfs/dbraw/zinc/53/72/87/737537287.db2.gz ZNHKMJOENLPPCQ-UHFFFAOYSA-N 0 1 361.467 2.656 20 10 FFCDMN Cc1cc(O)c(CNCc2c(I)cnn2C)cc1C ZINC000865868983 731006174 /nfs/dbraw/zinc/00/61/74/731006174.db2.gz SIRHGDDVWQIBPJ-UHFFFAOYSA-N 0 1 371.222 2.637 20 10 FFCDMN Cc1nnsc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876941956 732300372 /nfs/dbraw/zinc/30/03/72/732300372.db2.gz RFWBPJDTNMEQRI-UHFFFAOYSA-N 0 1 372.416 2.992 20 10 FFCDMN Oc1ccc(Br)cc1CNCc1cc2c(cn1)OCCO2 ZINC000877520565 732379183 /nfs/dbraw/zinc/37/91/83/732379183.db2.gz BFFSYYPABMPIRK-UHFFFAOYSA-N 0 1 351.200 2.611 20 10 FFCDMN CS(=O)(=O)CCOc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877622350 732400027 /nfs/dbraw/zinc/40/00/27/732400027.db2.gz LLQBGYPEGLDEAD-UHFFFAOYSA-N 0 1 357.378 2.706 20 10 FFCDMN O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000877793950 732433998 /nfs/dbraw/zinc/43/39/98/732433998.db2.gz RSNOUWINOKZJCJ-GXSJLCMTSA-N 0 1 350.267 2.566 20 10 FFCDMN O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000877793950 732434000 /nfs/dbraw/zinc/43/40/00/732434000.db2.gz RSNOUWINOKZJCJ-GXSJLCMTSA-N 0 1 350.267 2.566 20 10 FFCDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799277 732435202 /nfs/dbraw/zinc/43/52/02/732435202.db2.gz LQKPGPUYBVERCZ-COXVUDFISA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799277 732435204 /nfs/dbraw/zinc/43/52/04/732435204.db2.gz LQKPGPUYBVERCZ-COXVUDFISA-N 0 1 366.889 2.677 20 10 FFCDMN CC(=O)c1csc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000881851070 733120337 /nfs/dbraw/zinc/12/03/37/733120337.db2.gz BYRHQKAIPVMWFA-UHFFFAOYSA-N 0 1 357.479 2.633 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000881854217 733120561 /nfs/dbraw/zinc/12/05/61/733120561.db2.gz XJQWTKBNCNDMPS-MRXNPFEDSA-N 0 1 351.441 2.880 20 10 FFCDMN CSc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)o1 ZINC000881854914 733120773 /nfs/dbraw/zinc/12/07/73/733120773.db2.gz LFGRRGQUQHGRQI-UHFFFAOYSA-N 0 1 359.495 2.992 20 10 FFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ccc1[O-] ZINC000927040953 738684815 /nfs/dbraw/zinc/68/48/15/738684815.db2.gz KHOXZRZHHVMDCY-SMHCIBLRSA-N 0 1 374.300 2.914 20 10 FFCDMN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Cl)c1OC ZINC000730438002 734637157 /nfs/dbraw/zinc/63/71/57/734637157.db2.gz XKXDTGRSGPUVET-RAXLEYEMSA-N 0 1 358.781 2.819 20 10 FFCDMN O=C(NCCCCN1CCN(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731870747 734702381 /nfs/dbraw/zinc/70/23/81/734702381.db2.gz OHYSGEMNELLLMX-UHFFFAOYSA-N 0 1 359.495 2.786 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000893608518 734726039 /nfs/dbraw/zinc/72/60/39/734726039.db2.gz VYILABBHTVSQOJ-JLYLLQBASA-N 0 1 359.539 2.729 20 10 FFCDMN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893981859 734781541 /nfs/dbraw/zinc/78/15/41/734781541.db2.gz XEHPZNBHZWPAQU-JTQLQIEISA-N 0 1 359.239 2.771 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000894043016 734791940 /nfs/dbraw/zinc/79/19/40/734791940.db2.gz DPFNBRDRNHAZGN-LLVKDONJSA-N 0 1 358.129 2.793 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000894093987 734800626 /nfs/dbraw/zinc/80/06/26/734800626.db2.gz JBPVHJPLMKFGRT-NSHDSACASA-N 0 1 369.238 2.798 20 10 FFCDMN O=C(c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1)N1CCOCC1 ZINC000733322577 734808976 /nfs/dbraw/zinc/80/89/76/734808976.db2.gz NMLMLQJZBZGPKQ-UHFFFAOYSA-N 0 1 360.841 2.808 20 10 FFCDMN O=S1(=O)CCN(c2ccc(CNCc3ccccc3Cl)cc2)CC1 ZINC000733330878 734809534 /nfs/dbraw/zinc/80/95/34/734809534.db2.gz RAYWHBRAWFUFCY-UHFFFAOYSA-N 0 1 364.898 2.865 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H]1COCCO1 ZINC000895260096 734982781 /nfs/dbraw/zinc/98/27/81/734982781.db2.gz OBQOTGWYNKEJNO-NSHDSACASA-N 0 1 350.640 2.655 20 10 FFCDMN O=C(NCc1cccc(Cl)c1[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000895898661 735071853 /nfs/dbraw/zinc/07/18/53/735071853.db2.gz ASVDGTATAOQUME-UHFFFAOYSA-N 0 1 351.878 2.967 20 10 FFCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000896970383 735190074 /nfs/dbraw/zinc/19/00/74/735190074.db2.gz JPSXBQVLADIJQU-SECBINFHSA-N 0 1 354.378 2.903 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051375 735611960 /nfs/dbraw/zinc/61/19/60/735611960.db2.gz SJWRBIJRLCTSFT-AWEZNQCLSA-N 0 1 364.873 2.986 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051375 735611961 /nfs/dbraw/zinc/61/19/61/735611961.db2.gz SJWRBIJRLCTSFT-AWEZNQCLSA-N 0 1 364.873 2.986 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000787422129 739135561 /nfs/dbraw/zinc/13/55/61/739135561.db2.gz AIACUODFUOXTHP-VHRBIJSZSA-N 0 1 353.260 2.549 20 10 FFCDMN Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000787426443 739135581 /nfs/dbraw/zinc/13/55/81/739135581.db2.gz YQTDOKXDDPVEOL-GDLCADMTSA-N 0 1 353.260 2.549 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[NH2+]CCC23CCOCC3)c1[O-] ZINC000903814727 736170241 /nfs/dbraw/zinc/17/02/41/736170241.db2.gz HVRZTUFHIMCQPI-UHFFFAOYSA-N 0 1 352.862 2.593 20 10 FFCDMN O=C([O-])[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Oc1ccc(F)cc1 ZINC000756307747 736321896 /nfs/dbraw/zinc/32/18/96/736321896.db2.gz CHOQTQRXBQYOON-AWEZNQCLSA-N 0 1 357.740 2.946 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1 ZINC000758086624 736451800 /nfs/dbraw/zinc/45/18/00/736451800.db2.gz IATDJUXTXZRJMZ-UHFFFAOYSA-N 0 1 359.392 2.606 20 10 FFCDMN CCc1n[nH]cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761983372 736779256 /nfs/dbraw/zinc/77/92/56/736779256.db2.gz QWJHQAGYJPFADK-AWEZNQCLSA-N 0 1 362.861 2.726 20 10 FFCDMN CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764792058 737049885 /nfs/dbraw/zinc/04/98/85/737049885.db2.gz SRNFACAXQWYPOD-LBPRGKRZSA-N 0 1 370.291 2.684 20 10 FFCDMN CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764792058 737049890 /nfs/dbraw/zinc/04/98/90/737049890.db2.gz SRNFACAXQWYPOD-LBPRGKRZSA-N 0 1 370.291 2.684 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)ccc1O ZINC000811702621 741549710 /nfs/dbraw/zinc/54/97/10/741549710.db2.gz DSFTUELAUYBFOR-UHFFFAOYSA-N 0 1 361.423 2.994 20 10 FFCDMN CC(C)[C@](C)(O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771416464 737724773 /nfs/dbraw/zinc/72/47/73/737724773.db2.gz HGEURCRKXUPXBZ-YJBOKZPZSA-N 0 1 354.878 2.533 20 10 FFCDMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(N(C)C)cc1 ZINC000775402272 738089925 /nfs/dbraw/zinc/08/99/25/738089925.db2.gz CEISUTFTGNENOS-VIFPVBQESA-N 0 1 354.526 2.862 20 10 FFCDMN CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1[O-] ZINC000775522601 738098944 /nfs/dbraw/zinc/09/89/44/738098944.db2.gz VNJQYXHQZVDBFN-DIOULYMOSA-N 0 1 357.292 2.915 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1[O-] ZINC000775537524 738100344 /nfs/dbraw/zinc/10/03/44/738100344.db2.gz ZWVRCUVHOAHLTD-KQYVJACZSA-N 0 1 365.861 2.807 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1OCCOC ZINC000790416399 739451431 /nfs/dbraw/zinc/45/14/31/739451431.db2.gz WMUBNRPDMZHZEZ-UHFFFAOYSA-N 0 1 369.414 2.920 20 10 FFCDMN COC(=O)N1CCC(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000796501170 740148055 /nfs/dbraw/zinc/14/80/55/740148055.db2.gz ZSUITJXIOSPSAO-UHFFFAOYSA-N 0 1 357.248 2.723 20 10 FFCDMN C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CC(=O)N1C ZINC000799954611 740467175 /nfs/dbraw/zinc/46/71/75/740467175.db2.gz BAZSXXZQPYKCBP-LLVKDONJSA-N 0 1 363.255 2.970 20 10 FFCDMN CC(C)CN1N=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1=O 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CN1CCN(c2ccc(CNC(=O)c3cc4c([nH]3)CCCC4)cc2)CC1 ZINC001589179987 1080399834 /nfs/dbraw/zinc/39/98/34/1080399834.db2.gz UOGUZRBLRHFPPZ-UHFFFAOYSA-N 0 1 352.482 2.575 20 10 FFCDMN CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000155365172 508986085 /nfs/dbraw/zinc/98/60/85/508986085.db2.gz BFQAHOMBHNLAGL-SNVBAGLBSA-N 0 1 369.181 2.874 20 10 FFCDMN C[C@@](O)(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116905 512226371 /nfs/dbraw/zinc/22/63/71/512226371.db2.gz HJGPXRGUMKEGCW-VQIMIIECSA-N 0 1 366.889 2.677 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000038082784 506434683 /nfs/dbraw/zinc/43/46/83/506434683.db2.gz KPCCYKSTCMKUME-GXFFZTMASA-N 0 1 362.289 2.630 20 10 FFCDMN C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571733 507047543 /nfs/dbraw/zinc/04/75/43/507047543.db2.gz OTAUVMSQDXSGOG-KRWDZBQOSA-N 0 1 359.514 2.792 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](C)c1cccs1)cc2=O ZINC000052283224 507805302 /nfs/dbraw/zinc/80/53/02/507805302.db2.gz NISSPXBRTVEXEL-NSHDSACASA-N 0 1 360.439 2.866 20 10 FFCDMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccccc1O ZINC000109770680 507986223 /nfs/dbraw/zinc/98/62/23/507986223.db2.gz FEXLEEISPLDUEC-OAHLLOKOSA-N 0 1 367.449 2.978 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000080502850 508079411 /nfs/dbraw/zinc/07/94/11/508079411.db2.gz UVRRAYBTKJDHDZ-UHFFFAOYSA-N 0 1 354.526 2.644 20 10 FFCDMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccccc1O ZINC000111236454 508080700 /nfs/dbraw/zinc/08/07/00/508080700.db2.gz FVGZGZDCUYTGRL-OAHLLOKOSA-N 0 1 367.449 2.978 20 10 FFCDMN Cc1nnc(SCCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000266827166 509213239 /nfs/dbraw/zinc/21/32/39/509213239.db2.gz LUYDCSKFBTVOTE-UHFFFAOYSA-N 0 1 359.499 2.853 20 10 FFCDMN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000186109017 509526223 /nfs/dbraw/zinc/52/62/23/509526223.db2.gz TWFGAACLBOOIQI-JQWIXIFHSA-N 0 1 356.264 2.609 20 10 FFCDMN [O-]c1c(Br)cc(Br)cc1C[NH+]1CCC(O)CC1 ZINC000179584867 509524051 /nfs/dbraw/zinc/52/40/51/509524051.db2.gz MMADFBRGJATUIW-UHFFFAOYSA-N 0 1 365.065 2.874 20 10 FFCDMN COc1cc(N2CCN(Cc3ccc(CO)cc3)CC2)cc(OC)c1OC ZINC000183698836 509932386 /nfs/dbraw/zinc/93/23/86/509932386.db2.gz YVDMNPDALTZTAK-UHFFFAOYSA-N 0 1 372.465 2.527 20 10 FFCDMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276551381 510942564 /nfs/dbraw/zinc/94/25/64/510942564.db2.gz HSSLGEAAFJTZMI-HNNXBMFYSA-N 0 1 358.413 2.831 20 10 FFCDMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276551381 510942566 /nfs/dbraw/zinc/94/25/66/510942566.db2.gz HSSLGEAAFJTZMI-HNNXBMFYSA-N 0 1 358.413 2.831 20 10 FFCDMN CS(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000276973113 510950817 /nfs/dbraw/zinc/95/08/17/510950817.db2.gz FQNCFRLEYYRNEJ-UHFFFAOYSA-N 0 1 351.855 2.968 20 10 FFCDMN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277322505 510960256 /nfs/dbraw/zinc/96/02/56/510960256.db2.gz DPFOINIFWHVHJT-QWHCGFSZSA-N 0 1 370.291 2.827 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000289799076 511115367 /nfs/dbraw/zinc/11/53/67/511115367.db2.gz MONYRDOQFUFGFD-UHFFFAOYSA-N 0 1 363.414 2.856 20 10 FFCDMN C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113668 511159041 /nfs/dbraw/zinc/15/90/41/511159041.db2.gz CFOVZKPQZPINSN-GFCCVEGCSA-N 0 1 361.392 2.775 20 10 FFCDMN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000294772736 511173629 /nfs/dbraw/zinc/17/36/29/511173629.db2.gz KHCSCFPCTOSJQI-QWHCGFSZSA-N 0 1 360.841 2.835 20 10 FFCDMN CCOC(=O)C(C)(C)c1csc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC000295288213 511349978 /nfs/dbraw/zinc/34/99/78/511349978.db2.gz GIUVGYWSSUMOHJ-UHFFFAOYSA-N 0 1 368.386 2.786 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000272891734 511510516 /nfs/dbraw/zinc/51/05/16/511510516.db2.gz ZMDINDDPVWDAOP-UHFFFAOYSA-N 0 1 354.712 2.843 20 10 FFCDMN CCn1nc(C)c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295814914 511523860 /nfs/dbraw/zinc/52/38/60/511523860.db2.gz UHBGWFAFRUWGEU-AWEZNQCLSA-N 0 1 365.428 2.966 20 10 FFCDMN COc1ccc(N2CCN(C(=O)c3cccc4[nH]c(C)nc43)CC2)cc1F ZINC000284214196 511645191 /nfs/dbraw/zinc/64/51/91/511645191.db2.gz AMGDSFPLENUUHH-UHFFFAOYSA-N 0 1 368.412 2.981 20 10 FFCDMN CCOCc1cc(CNCc2cccc(N3CCOCC3)n2)ccc1OC ZINC000274820622 511953986 /nfs/dbraw/zinc/95/39/86/511953986.db2.gz RVTQUIQHSWJLMF-UHFFFAOYSA-N 0 1 371.481 2.753 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)NCc2n[nH]c(C3CC3)n2)cc1F ZINC000297211619 512063814 /nfs/dbraw/zinc/06/38/14/512063814.db2.gz LINQPTJSKAIOIJ-UHFFFAOYSA-N 0 1 360.437 2.667 20 10 FFCDMN Cc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1ccccn1 ZINC000367798258 512667632 /nfs/dbraw/zinc/66/76/32/512667632.db2.gz PNAZFPGHHGPRIA-UHFFFAOYSA-N 0 1 359.393 2.922 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOC2)C1 ZINC000435515470 513608460 /nfs/dbraw/zinc/60/84/60/513608460.db2.gz GZIJNJRJJDJRBZ-INIZCTEOSA-N 0 1 355.482 2.561 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOC2)C1 ZINC000435515470 513608467 /nfs/dbraw/zinc/60/84/67/513608467.db2.gz GZIJNJRJJDJRBZ-INIZCTEOSA-N 0 1 355.482 2.561 20 10 FFCDMN COC[C@H](C)N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435520919 513609207 /nfs/dbraw/zinc/60/92/07/513609207.db2.gz UIMZBNSQMUDAHG-INIZCTEOSA-N 0 1 357.498 2.901 20 10 FFCDMN C[C@@H](OCC1CC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262491 728729359 /nfs/dbraw/zinc/72/93/59/728729359.db2.gz QHRGJXFYBBPJJJ-DYVFJYSZSA-N 0 1 366.889 2.941 20 10 FFCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)CC1 ZINC000185158286 729343074 /nfs/dbraw/zinc/34/30/74/729343074.db2.gz MGOQRRBKQGPGMO-UHFFFAOYSA-N 0 1 363.458 2.768 20 10 FFCDMN C[C@](N)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000192520599 729451724 /nfs/dbraw/zinc/45/17/24/729451724.db2.gz JNUASJSYNXGCKI-HXUWFJFHSA-N 0 1 355.507 2.730 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000305892528 729738590 /nfs/dbraw/zinc/73/85/90/729738590.db2.gz ZUJZXQCCJOIADX-LBPRGKRZSA-N 0 1 356.850 2.771 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000858116544 730416951 /nfs/dbraw/zinc/41/69/51/730416951.db2.gz NZMZLNYLYREEDN-SECBINFHSA-N 0 1 353.182 2.881 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858142662 730417739 /nfs/dbraw/zinc/41/77/39/730417739.db2.gz ISFBWDWQLZRNMQ-QWRGUYRKSA-N 0 1 362.289 2.600 20 10 FFCDMN O=[S@](CC[NH2+]Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000858186702 730419163 /nfs/dbraw/zinc/41/91/63/730419163.db2.gz JHPQKBNPJDQVGH-LJQANCHMSA-N 0 1 360.195 2.555 20 10 FFCDMN COc1ccc(N2CCN(CCN[C@H](C)c3nc(C)cs3)CC2)cc1 ZINC000858358363 730423731 /nfs/dbraw/zinc/42/37/31/730423731.db2.gz DALDETKHYVDGJP-MRXNPFEDSA-N 0 1 360.527 2.933 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237467 730679717 /nfs/dbraw/zinc/67/97/17/730679717.db2.gz QFQMTJKZWDQJQG-GFCCVEGCSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237467 730679719 /nfs/dbraw/zinc/67/97/19/730679719.db2.gz QFQMTJKZWDQJQG-GFCCVEGCSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237467 730679720 /nfs/dbraw/zinc/67/97/20/730679720.db2.gz QFQMTJKZWDQJQG-GFCCVEGCSA-N 0 1 355.276 2.893 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000862357408 730691254 /nfs/dbraw/zinc/69/12/54/730691254.db2.gz YDQKDMKKKBIIEX-AWEZNQCLSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000862357408 730691256 /nfs/dbraw/zinc/69/12/56/730691256.db2.gz YDQKDMKKKBIIEX-AWEZNQCLSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Br)ccc1[O-] ZINC000866413520 731057331 /nfs/dbraw/zinc/05/73/31/731057331.db2.gz SFESRKNCFLBKHO-AAEUAGOBSA-N 0 1 357.292 2.651 20 10 FFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774993 732427430 /nfs/dbraw/zinc/42/74/30/732427430.db2.gz IERSZHZGVQIENR-AWEZNQCLSA-N 0 1 366.767 2.697 20 10 FFCDMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350284 738620297 /nfs/dbraw/zinc/62/02/97/738620297.db2.gz ILOARSHMRIJTJC-QFBILLFUSA-N 0 1 366.889 2.943 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[O-] ZINC000880206578 732865582 /nfs/dbraw/zinc/86/55/82/732865582.db2.gz CBAVEBOKBCJCSF-QGZVFWFLSA-N 0 1 366.889 2.981 20 10 FFCDMN CSc1ccc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886325106 733773793 /nfs/dbraw/zinc/77/37/93/733773793.db2.gz UMPHQZGGQKJVON-UHFFFAOYSA-N 0 1 359.495 2.993 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3c([O-])cccc3Br)O2)CO1 ZINC000886329296 733774327 /nfs/dbraw/zinc/77/43/27/733774327.db2.gz CBAOOPRWDYXLLL-XHBSWPGZSA-N 0 1 356.260 2.971 20 10 FFCDMN CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894783575 734916061 /nfs/dbraw/zinc/91/60/61/734916061.db2.gz VYGSIBVEAMILAS-LBPRGKRZSA-N 0 1 350.228 2.512 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nc(Br)nn1C ZINC000895014835 734952418 /nfs/dbraw/zinc/95/24/18/734952418.db2.gz OSRCJZSUELPKBC-LBPRGKRZSA-N 0 1 366.307 2.673 20 10 FFCDMN COC(=O)c1cnc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895050391 734957636 /nfs/dbraw/zinc/95/76/36/734957636.db2.gz BXJCLWXYMBAKMO-ZDUSSCGKSA-N 0 1 361.467 2.554 20 10 FFCDMN COC(=O)[C@H](CC1CCOCC1)NCc1cccc(Br)c1O ZINC000895592716 735028628 /nfs/dbraw/zinc/02/86/28/735028628.db2.gz WPMUZSGMXLFSBB-AWEZNQCLSA-N 0 1 372.259 2.603 20 10 FFCDMN CCO/C=C\[C@@](O)(CNCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708309 735044048 /nfs/dbraw/zinc/04/40/48/735044048.db2.gz QMCIDAODXSOQLE-ZPIQOJFGSA-N 0 1 350.356 2.825 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897177358 735201771 /nfs/dbraw/zinc/20/17/71/735201771.db2.gz OAEVCYMHCXRKRQ-ZDUSSCGKSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897177358 735201776 /nfs/dbraw/zinc/20/17/76/735201776.db2.gz OAEVCYMHCXRKRQ-ZDUSSCGKSA-N 0 1 370.287 2.908 20 10 FFCDMN Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000787426445 739135852 /nfs/dbraw/zinc/13/58/52/739135852.db2.gz YQTDOKXDDPVEOL-LEWSCRJBSA-N 0 1 353.260 2.549 20 10 FFCDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000754152967 736131302 /nfs/dbraw/zinc/13/13/02/736131302.db2.gz BYGDSLHHJIWQCF-MYYSRTQBSA-N 0 1 371.865 2.707 20 10 FFCDMN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756523627 736338474 /nfs/dbraw/zinc/33/84/74/736338474.db2.gz CYHGDQMLZMPTAJ-CJNGLKHVSA-N 0 1 353.894 2.639 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000756788170 736361406 /nfs/dbraw/zinc/36/14/06/736361406.db2.gz BMZMERSSPJMCHF-SNVBAGLBSA-N 0 1 351.248 2.862 20 10 FFCDMN C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000908329601 736758816 /nfs/dbraw/zinc/75/88/16/736758816.db2.gz SJHTVGRMVQGTTP-UHFFFAOYSA-N 0 1 354.859 2.586 20 10 FFCDMN C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C[NH+](C)C ZINC000764798863 737050991 /nfs/dbraw/zinc/05/09/91/737050991.db2.gz WLZFKXWQZGNHNY-NSHDSACASA-N 0 1 372.307 2.930 20 10 FFCDMN O=C(NCc1cccc(Br)c1O)c1nnc2ccccc2c1O ZINC000765748090 737153061 /nfs/dbraw/zinc/15/30/61/737153061.db2.gz VNUNRJZHBKYAEM-UHFFFAOYSA-N 0 1 374.194 2.734 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000769404680 737525286 /nfs/dbraw/zinc/52/52/86/737525286.db2.gz NWXHVPKRXSCPRE-CQSZACIVSA-N 0 1 367.287 2.989 20 10 FFCDMN CCOc1ccnc(N2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000770325576 737616253 /nfs/dbraw/zinc/61/62/53/737616253.db2.gz OQNWCNDGQFENFC-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN CCOc1ccnc(N2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000770325576 737616257 /nfs/dbraw/zinc/61/62/57/737616257.db2.gz OQNWCNDGQFENFC-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN CN(C)c1ccnc(CNC(=O)NCCCSc2nccs2)c1 ZINC000921446505 737985814 /nfs/dbraw/zinc/98/58/14/737985814.db2.gz KLMYICGDTMMZDM-UHFFFAOYSA-N 0 1 351.501 2.586 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775663582 738110435 /nfs/dbraw/zinc/11/04/35/738110435.db2.gz OGYWIASKKRUXPV-NWDGAFQWSA-N 0 1 358.841 2.548 20 10 FFCDMN NC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)cc1 ZINC000775710602 738115758 /nfs/dbraw/zinc/11/57/58/738115758.db2.gz NIOBTUMQYCVYHO-UHFFFAOYSA-N 0 1 363.820 2.606 20 10 FFCDMN O=C(C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000775718018 738116988 /nfs/dbraw/zinc/11/69/88/738116988.db2.gz LCTMIOCDYTZZHZ-HNNXBMFYSA-N 0 1 370.852 2.788 20 10 FFCDMN O=C(C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000775718018 738116989 /nfs/dbraw/zinc/11/69/89/738116989.db2.gz LCTMIOCDYTZZHZ-HNNXBMFYSA-N 0 1 370.852 2.788 20 10 FFCDMN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000776870502 738240161 /nfs/dbraw/zinc/24/01/61/738240161.db2.gz VHPBQPFWBFPFON-HZUKXOBISA-N 0 1 374.275 2.626 20 10 FFCDMN CCN(Cc1[nH]nc2c1COCC2)Cc1cc(Br)ccc1O ZINC000929755595 739018740 /nfs/dbraw/zinc/01/87/40/739018740.db2.gz QAAGZNKUIXMDEG-UHFFFAOYSA-N 0 1 366.259 2.973 20 10 FFCDMN COC(=O)[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC000787420002 739135257 /nfs/dbraw/zinc/13/52/57/739135257.db2.gz BSVRYZZIDZJEOV-SKDRFNHKSA-N 0 1 358.232 2.547 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023961 739375457 /nfs/dbraw/zinc/37/54/57/739375457.db2.gz FUBKPTQBJBWTRK-ACJLOTCBSA-N 0 1 366.845 2.959 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000790411751 739450473 /nfs/dbraw/zinc/45/04/73/739450473.db2.gz QWKSHTIVYQBOOZ-UHFFFAOYSA-N 0 1 352.368 2.808 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000790411744 739450479 /nfs/dbraw/zinc/45/04/79/739450479.db2.gz QGDKVNWLFSQHOF-UHFFFAOYSA-N 0 1 364.423 2.859 20 10 FFCDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931294 739515597 /nfs/dbraw/zinc/51/55/97/739515597.db2.gz GGYZSOIRTRTDAX-GDLVEWKHSA-N 0 1 356.806 2.722 20 10 FFCDMN CN1CCN(c2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000795796165 740065039 /nfs/dbraw/zinc/06/50/39/740065039.db2.gz KULQWJLSNNSHOD-UHFFFAOYSA-N 0 1 362.275 2.603 20 10 FFCDMN COCCO[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000802651788 740715474 /nfs/dbraw/zinc/71/54/74/740715474.db2.gz BOLJCHCTJITXHF-AWEZNQCLSA-N 0 1 374.275 2.791 20 10 FFCDMN CC(C)(C)NC(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805060365 740933229 /nfs/dbraw/zinc/93/32/29/740933229.db2.gz ARPZBFVXFZPMQL-UHFFFAOYSA-N 0 1 362.257 2.803 20 10 FFCDMN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H]1OC ZINC000805309166 740958905 /nfs/dbraw/zinc/95/89/05/740958905.db2.gz GJLNHCKCZJPRNB-BZPMIXESSA-N 0 1 363.241 2.691 20 10 FFCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000805390785 740965990 /nfs/dbraw/zinc/96/59/90/740965990.db2.gz OPJAMWKESYIIHF-STQMWFEESA-N 0 1 363.241 2.692 20 10 FFCDMN CC(=O)N1CCC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805404978 740967877 /nfs/dbraw/zinc/96/78/77/740967877.db2.gz IFNWPPHTVKZEIF-LLVKDONJSA-N 0 1 374.268 2.757 20 10 FFCDMN CCC(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807836142 741162905 /nfs/dbraw/zinc/16/29/05/741162905.db2.gz PKWBSWBJNJPSNX-SNVBAGLBSA-N 0 1 359.253 2.964 20 10 FFCDMN CS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807839752 741163345 /nfs/dbraw/zinc/16/33/45/741163345.db2.gz KVTXWOWFYLJLCU-UHFFFAOYSA-N 0 1 364.206 2.626 20 10 FFCDMN CCCCCS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839984 741163444 /nfs/dbraw/zinc/16/34/44/741163444.db2.gz OLASGXOWYLVJDJ-UHFFFAOYSA-N 0 1 368.282 2.920 20 10 FFCDMN NC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1Cl ZINC000807840382 741163545 /nfs/dbraw/zinc/16/35/45/741163545.db2.gz AYKXVKGLZDHKCH-UHFFFAOYSA-N 0 1 374.611 2.776 20 10 FFCDMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809695902 741332534 /nfs/dbraw/zinc/33/25/34/741332534.db2.gz AQLZPHJIWNVIMJ-RHSMWYFYSA-N 0 1 357.420 2.590 20 10 FFCDMN COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809734581 741337793 /nfs/dbraw/zinc/33/77/93/741337793.db2.gz KGGPLBZRHIWEPL-UHFFFAOYSA-N 0 1 351.790 2.997 20 10 FFCDMN COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809734581 741337795 /nfs/dbraw/zinc/33/77/95/741337795.db2.gz KGGPLBZRHIWEPL-UHFFFAOYSA-N 0 1 351.790 2.997 20 10 FFCDMN COC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813684803 741748873 /nfs/dbraw/zinc/74/88/73/741748873.db2.gz ODGIVUJNXXDKPN-UHFFFAOYSA-N 0 1 355.177 2.811 20 10 FFCDMN O=C1NCCN(Cc2cc(Cl)c(F)cc2O)[C@@H]1c1ccccc1F ZINC000816568027 742043107 /nfs/dbraw/zinc/04/31/07/742043107.db2.gz UMSGUGTYWABWQQ-MRXNPFEDSA-N 0 1 352.768 2.997 20 10 FFCDMN CNCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817952085 742223675 /nfs/dbraw/zinc/22/36/75/742223675.db2.gz MXAFRDZVTHNREU-SSDOTTSWSA-N 0 1 352.070 2.787 20 10 FFCDMN C[C@@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971294 742225588 /nfs/dbraw/zinc/22/55/88/742225588.db2.gz CAKMSAQUAVFENF-RQJHMYQMSA-N 0 1 352.070 2.915 20 10 FFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[O-])CN1 ZINC000824948461 743183953 /nfs/dbraw/zinc/18/39/53/743183953.db2.gz FMRRYQCDHAJGLK-OCCSQVGLSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[O-])CN1 ZINC000824948461 743183958 /nfs/dbraw/zinc/18/39/58/743183958.db2.gz FMRRYQCDHAJGLK-OCCSQVGLSA-N 0 1 353.260 2.645 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124497 743214511 /nfs/dbraw/zinc/21/45/11/743214511.db2.gz RDYJJYMUZHYENU-SKDRFNHKSA-N 0 1 354.166 2.900 20 10 FFCDMN COc1ccc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000825306046 743246022 /nfs/dbraw/zinc/24/60/22/743246022.db2.gz YUOOZIKYZXLUBW-UHFFFAOYSA-N 0 1 351.809 2.911 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000825811409 743330408 /nfs/dbraw/zinc/33/04/08/743330408.db2.gz GTBYJQXHQSWFIF-LLVKDONJSA-N 0 1 363.259 2.907 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000825811409 743330417 /nfs/dbraw/zinc/33/04/17/743330417.db2.gz GTBYJQXHQSWFIF-LLVKDONJSA-N 0 1 363.259 2.907 20 10 FFCDMN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826535417 743391573 /nfs/dbraw/zinc/39/15/73/743391573.db2.gz WMUVMAGEPRCWFQ-HNNXBMFYSA-N 0 1 367.287 2.891 20 10 FFCDMN Cc1ccccc1[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827319996 743554770 /nfs/dbraw/zinc/55/47/70/743554770.db2.gz CAZAQJAEWOVWGK-LJQANCHMSA-N 0 1 355.507 2.864 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834851479 745914556 /nfs/dbraw/zinc/91/45/56/745914556.db2.gz YAQVOBVFOQXRPE-GXTWGEPZSA-N 0 1 357.292 2.652 20 10 FFCDMN CCS(=O)(=O)N(C)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028961 745933373 /nfs/dbraw/zinc/93/33/73/745933373.db2.gz OCBJTCICGXCTRJ-SREVYHEPSA-N 0 1 365.543 2.512 20 10 FFCDMN CCNS(=O)(=O)c1cccc(CNCc2c(O)cc(C)cc2Cl)c1 ZINC000840953579 747241627 /nfs/dbraw/zinc/24/16/27/747241627.db2.gz VLFYLNVRKGODSX-UHFFFAOYSA-N 0 1 368.886 2.942 20 10 FFCDMN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840953579 747241633 /nfs/dbraw/zinc/24/16/33/747241633.db2.gz VLFYLNVRKGODSX-UHFFFAOYSA-N 0 1 368.886 2.942 20 10 FFCDMN COc1cc(Br)cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840975518 747248872 /nfs/dbraw/zinc/24/88/72/747248872.db2.gz HQQGHNYRNKNYCU-CYBMUJFWSA-N 0 1 371.275 2.652 20 10 FFCDMN COc1cc(Br)cc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840975518 747248880 /nfs/dbraw/zinc/24/88/80/747248880.db2.gz HQQGHNYRNKNYCU-CYBMUJFWSA-N 0 1 371.275 2.652 20 10 FFCDMN C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841758619 747451662 /nfs/dbraw/zinc/45/16/62/747451662.db2.gz UDCGDIZMDJYQFZ-IINYFYTJSA-N 0 1 352.784 2.959 20 10 FFCDMN COc1ccc(N(C)CCN(C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000844400022 748020801 /nfs/dbraw/zinc/02/08/01/748020801.db2.gz SPTSBXIGYDXJPH-HNNXBMFYSA-N 0 1 361.511 2.830 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015057 748382826 /nfs/dbraw/zinc/38/28/26/748382826.db2.gz VTBDNLFTFFQTEP-MEBBXXQBSA-N 0 1 350.346 2.660 20 10 FFCDMN O=S1(=O)CCN(c2ccc(CNCc3cscc3Cl)cc2)CC1 ZINC000850355338 749351195 /nfs/dbraw/zinc/35/11/95/749351195.db2.gz FCJIQMRYWTVXFZ-UHFFFAOYSA-N 0 1 370.927 2.926 20 10 FFCDMN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852413426 749854917 /nfs/dbraw/zinc/85/49/17/749854917.db2.gz VSXRIWXFSJVZEJ-LBPRGKRZSA-N 0 1 370.291 2.827 20 10 FFCDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852413426 749854923 /nfs/dbraw/zinc/85/49/23/749854923.db2.gz VSXRIWXFSJVZEJ-LBPRGKRZSA-N 0 1 370.291 2.827 20 10 FFCDMN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836764 1013056169 /nfs/dbraw/zinc/05/61/69/1013056169.db2.gz GLHFERDXAXEHOB-IFXJQAMLSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836764 1013056189 /nfs/dbraw/zinc/05/61/89/1013056189.db2.gz GLHFERDXAXEHOB-IFXJQAMLSA-N 0 1 366.889 2.895 20 10 FFCDMN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001205917135 1032066457 /nfs/dbraw/zinc/06/64/57/1032066457.db2.gz IBHMEYHMYCPICQ-UHFFFAOYSA-N 0 1 354.859 2.586 20 10 FFCDMN COc1cc(O)c(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000872660088 1013245060 /nfs/dbraw/zinc/24/50/60/1013245060.db2.gz VVWLXZSMOOGGSW-JSGCOSHPSA-N 0 1 366.458 2.897 20 10 FFCDMN CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276038346 1013351517 /nfs/dbraw/zinc/35/15/17/1013351517.db2.gz URVAICXYUYGLRD-UWJYYQICSA-N 0 1 354.425 2.979 20 10 FFCDMN Cc1[nH]c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1C=O ZINC000891246076 962564107 /nfs/dbraw/zinc/56/41/07/962564107.db2.gz LWEMNVCXYIMTHR-SFHVURJKSA-N 0 1 356.470 2.543 20 10 FFCDMN COCc1nc(Cl)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167423331 963014430 /nfs/dbraw/zinc/01/44/30/963014430.db2.gz VVZJBDLQDYPUNG-UHFFFAOYSA-N 0 1 361.877 2.640 20 10 FFCDMN CN1CC2(CCC1=O)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276076878 1013407642 /nfs/dbraw/zinc/40/76/42/1013407642.db2.gz JNYXDPMWANJKLK-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN CN1CCN(c2ccc(CNc3cccc(CS(C)(=O)=O)c3)cc2)CC1 ZINC001167436821 963261826 /nfs/dbraw/zinc/26/18/26/963261826.db2.gz AVZWLQKUCQVYJY-UHFFFAOYSA-N 0 1 373.522 2.595 20 10 FFCDMN Cc1nc2c(ncc(NCc3ccc(N4CCN(C)CC4)cc3)c2C)[nH]1 ZINC001167437363 963271857 /nfs/dbraw/zinc/27/18/57/963271857.db2.gz RYSNQSUSPJIUIA-UHFFFAOYSA-N 0 1 350.470 2.939 20 10 FFCDMN O=C1N(Cc2ccncc2)CC[C@]12CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085447 1013431107 /nfs/dbraw/zinc/43/11/07/1013431107.db2.gz JIVQCCLFLNRTSS-FQEVSTJZSA-N 0 1 355.413 2.551 20 10 FFCDMN COc1cc(Cl)cc(CNCc2c(Br)cnn2C)c1O ZINC000693472061 964904894 /nfs/dbraw/zinc/90/48/94/964904894.db2.gz FLRHJWYOWULSQN-UHFFFAOYSA-N 0 1 360.639 2.840 20 10 FFCDMN COC(=O)c1c(CN(C)CCc2cnccn2)c2cc(F)ccc2n1C ZINC000894424966 965362365 /nfs/dbraw/zinc/36/23/65/965362365.db2.gz OTDAHBSDOXBNSE-UHFFFAOYSA-N 0 1 356.401 2.569 20 10 FFCDMN Cc1nc2cc(NCc3ccc(N(C)C)cc3C)ccc2n1C(CO)CO ZINC000894916927 967096898 /nfs/dbraw/zinc/09/68/98/967096898.db2.gz BUAALFVLPKLEKF-UHFFFAOYSA-N 0 1 368.481 2.857 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000066080428 969260232 /nfs/dbraw/zinc/26/02/32/969260232.db2.gz BNXKTPKWYWQKKT-AWEZNQCLSA-N 0 1 370.449 2.810 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)ccc21 ZINC000644823200 975222974 /nfs/dbraw/zinc/22/29/74/975222974.db2.gz ZJEURUJATNHRDS-XLIONFOSSA-N 0 1 355.482 2.681 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000796581482 1014391784 /nfs/dbraw/zinc/39/17/84/1014391784.db2.gz QTVKTQMBBDJPKB-HXUWFJFHSA-N 0 1 357.429 2.613 20 10 FFCDMN Cc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000871882926 979982709 /nfs/dbraw/zinc/98/27/09/979982709.db2.gz XDOVMXOTQBDSNT-HXUWFJFHSA-N 0 1 353.466 2.662 20 10 FFCDMN COc1ccc(C[N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000897409295 980425476 /nfs/dbraw/zinc/42/54/76/980425476.db2.gz JJZYFPJDLLUZQA-CQSZACIVSA-N 0 1 366.458 2.851 20 10 FFCDMN COC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1C ZINC000905788215 980520566 /nfs/dbraw/zinc/52/05/66/980520566.db2.gz KKDVJTDJOVTPAS-OAQYLSRUSA-N 0 1 367.493 2.751 20 10 FFCDMN CC1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC001212053948 981477833 /nfs/dbraw/zinc/47/78/33/981477833.db2.gz APFIIRLROCDPSE-UHFFFAOYSA-N 0 1 368.282 2.935 20 10 FFCDMN COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530364 982612588 /nfs/dbraw/zinc/61/25/88/982612588.db2.gz GIFUVEPONSKYEH-LBPRGKRZSA-N 0 1 351.353 2.512 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cn[nH]c2C)CCCC1 ZINC000651072493 1014970127 /nfs/dbraw/zinc/97/01/27/1014970127.db2.gz SYWYHCZLFQQJFH-UHFFFAOYSA-N 0 1 352.438 2.877 20 10 FFCDMN Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000764004910 984085300 /nfs/dbraw/zinc/08/53/00/984085300.db2.gz MEFUESZIVSRCNS-UHFFFAOYSA-N 0 1 366.421 2.879 20 10 FFCDMN C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000878437694 1015044484 /nfs/dbraw/zinc/04/44/84/1015044484.db2.gz QROGGTBQWOOXFI-AUSJPIAWSA-N 0 1 368.481 2.790 20 10 FFCDMN C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000172635027 985632908 /nfs/dbraw/zinc/63/29/08/985632908.db2.gz DJTZBIWWHPKARL-OAGGEKHMSA-N 0 1 363.477 2.540 20 10 FFCDMN COc1ccc([C@H]2C[C@H]([NH2+]CC(=O)c3ccc([O-])c(O)c3)CCO2)cc1 ZINC001168606365 985788365 /nfs/dbraw/zinc/78/83/65/985788365.db2.gz GEFGPVRHDGLTMP-FOIQADDNSA-N 0 1 357.406 2.799 20 10 FFCDMN C[C@]1(O)CCCC[N@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232975266 986350353 /nfs/dbraw/zinc/35/03/53/986350353.db2.gz YJICOBYGVLWKGS-AWEZNQCLSA-N 0 1 361.223 2.734 20 10 FFCDMN C[C@]1(O)CCCC[N@@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232975266 986350361 /nfs/dbraw/zinc/35/03/61/986350361.db2.gz YJICOBYGVLWKGS-AWEZNQCLSA-N 0 1 361.223 2.734 20 10 FFCDMN C[S@@](=O)(=NS(=O)(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001212415499 986382636 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Oc1ccc(CN2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c(O)c1 ZINC001204273397 1031198604 /nfs/dbraw/zinc/19/86/04/1031198604.db2.gz ORIIBQPEPRXTOQ-OAQYLSRUSA-N 0 1 354.450 2.969 20 10 FFCDMN Oc1ccc(CN2CCCn3cnc(COc4cccnc4)c3C2)c(O)c1 ZINC001204274661 1031200280 /nfs/dbraw/zinc/20/02/80/1031200280.db2.gz SFDGAYLKBFPKBL-UHFFFAOYSA-N 0 1 366.421 2.674 20 10 FFCDMN COc1cc(CN(CCNC(=O)OC(C)(C)C)C(C)C)cc(O)c1O ZINC001204344677 1031240277 /nfs/dbraw/zinc/24/02/77/1031240277.db2.gz AZMICQAXCMLQPA-UHFFFAOYSA-N 0 1 354.447 2.842 20 10 FFCDMN CC(C)(C)c1cccc(CN2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1O ZINC001143117191 1031248705 /nfs/dbraw/zinc/24/87/05/1031248705.db2.gz WXXWTCKIUSBJPP-ZWKOTPCHSA-N 0 1 350.478 2.934 20 10 FFCDMN COC(=O)[C@H]1CCN(Cc2cc(O)c(O)c(OC)c2)[C@H]1c1ccccc1 ZINC001204351479 1031248860 /nfs/dbraw/zinc/24/88/60/1031248860.db2.gz SJJBFKWFCNSVMW-YJBOKZPZSA-N 0 1 357.406 2.843 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)c3cccc(Cl)c3)C2)cc1 ZINC000843507058 1031433770 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O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C1=COCCC1 ZINC000134258582 508514411 /nfs/dbraw/zinc/51/44/11/508514411.db2.gz RQKHXCGWXXVXOQ-MRXNPFEDSA-N 0 1 350.846 2.821 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000158108819 508658476 /nfs/dbraw/zinc/65/84/76/508658476.db2.gz ULXBUADCOYKGBL-MRXNPFEDSA-N 0 1 352.862 2.553 20 10 FFCDMN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000377702107 512408887 /nfs/dbraw/zinc/40/88/87/512408887.db2.gz UGAUVYNNWCLDGE-UHFFFAOYSA-N 0 1 352.847 2.748 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3c(Cl)cnn3C)cc2F)CC1 ZINC000131317868 508914794 /nfs/dbraw/zinc/91/47/94/508914794.db2.gz VFTHDOLHJLXHLP-UHFFFAOYSA-N 0 1 365.884 2.644 20 10 FFCDMN CC[C@H]([NH2+]CCS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000155605984 509036611 /nfs/dbraw/zinc/03/66/11/509036611.db2.gz KLTCNUFUYZVLIQ-LBPRGKRZSA-N 0 1 350.278 2.630 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1[O-] ZINC000186375683 509678352 /nfs/dbraw/zinc/67/83/52/509678352.db2.gz 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/nfs/dbraw/zinc/97/03/93/510970393.db2.gz JGOSARQBGJTBJF-GFCCVEGCSA-N 0 1 365.231 2.755 20 10 FFCDMN Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000278545866 510998792 /nfs/dbraw/zinc/99/87/92/510998792.db2.gz YHICZMHPWFSDBD-CQSZACIVSA-N 0 1 365.275 2.647 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3ocnc3C3CC3)cc2F)CC1 ZINC000289611310 511106765 /nfs/dbraw/zinc/10/67/65/511106765.db2.gz FBEDURCTKVSFIY-UHFFFAOYSA-N 0 1 372.444 2.763 20 10 FFCDMN Cc1cc(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000271580358 511251317 /nfs/dbraw/zinc/25/13/17/511251317.db2.gz BYZZFIMDBBGTRL-UHFFFAOYSA-N 0 1 369.513 2.622 20 10 FFCDMN Cc1cc(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)[nH]n1 ZINC000271580358 511251321 /nfs/dbraw/zinc/25/13/21/511251321.db2.gz BYZZFIMDBBGTRL-UHFFFAOYSA-N 0 1 369.513 2.622 20 10 FFCDMN CCS(=O)(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295239925 511332743 /nfs/dbraw/zinc/33/27/43/511332743.db2.gz SOQGVLCEAPGFPK-UHFFFAOYSA-N 0 1 352.525 2.909 20 10 FFCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000295686869 511483804 /nfs/dbraw/zinc/48/38/04/511483804.db2.gz CWMVVZWUEOQJBM-IBGZPJMESA-N 0 1 352.482 2.643 20 10 FFCDMN COc1ccc([C@@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1OC ZINC000299465989 511646952 /nfs/dbraw/zinc/64/69/52/511646952.db2.gz BJFWBTOZYWTZRU-MRXNPFEDSA-N 0 1 373.453 2.512 20 10 FFCDMN CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483923 511762060 /nfs/dbraw/zinc/76/20/60/511762060.db2.gz OISNYXTUZDOKAO-SGANQWHYSA-N 0 1 367.511 2.846 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1[O-] ZINC000363869558 511819220 /nfs/dbraw/zinc/81/92/20/511819220.db2.gz RIYCFSRLGKITOA-YPMHNXCESA-N 0 1 365.275 2.818 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000375823214 512525545 /nfs/dbraw/zinc/52/55/45/512525545.db2.gz JGWDUACDZNTOTH-SJLPKXTDSA-N 0 1 361.417 2.556 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000375823214 512525554 /nfs/dbraw/zinc/52/55/54/512525554.db2.gz JGWDUACDZNTOTH-SJLPKXTDSA-N 0 1 361.417 2.556 20 10 FFCDMN O=C(Cc1ccncc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378603039 512845126 /nfs/dbraw/zinc/84/51/26/512845126.db2.gz YJLIESNTQODERL-QGZVFWFLSA-N 0 1 359.857 2.764 20 10 FFCDMN O=C(C[C@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370809912 513107207 /nfs/dbraw/zinc/10/72/07/513107207.db2.gz KVCVNYCZUFBQNT-CJNGLKHVSA-N 0 1 352.862 2.553 20 10 FFCDMN COCC1(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000576974554 518856667 /nfs/dbraw/zinc/85/66/67/518856667.db2.gz YGPBGARJVZHOCW-UHFFFAOYSA-N 0 1 355.482 2.703 20 10 FFCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000739157190 600034829 /nfs/dbraw/zinc/03/48/29/600034829.db2.gz KMMMCVOMIPRGOF-CYBMUJFWSA-N 0 1 356.422 2.721 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000739793191 600315719 /nfs/dbraw/zinc/31/57/19/600315719.db2.gz BTBJIHOBGBAYOW-MRXNPFEDSA-N 0 1 371.767 2.944 20 10 FFCDMN Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833011757 601252052 /nfs/dbraw/zinc/25/20/52/601252052.db2.gz ZNIUQWXNIWCQSZ-KEDPEKRHSA-N 0 1 356.382 2.867 20 10 FFCDMN COc1cccc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1O ZINC000833735283 604621465 /nfs/dbraw/zinc/62/14/65/604621465.db2.gz IYCSHZNDLHHVRE-AWEZNQCLSA-N 0 1 356.422 2.810 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000833307575 604639533 /nfs/dbraw/zinc/63/95/33/604639533.db2.gz JHHBYJQFKATOEN-SJORKVTESA-N 0 1 359.447 2.950 20 10 FFCDMN O=C([O-])N1CCC([N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)CC1 ZINC000834083807 605491588 /nfs/dbraw/zinc/49/15/88/605491588.db2.gz KVWSSOPTGJKQBZ-UHFFFAOYSA-N 0 1 359.470 2.630 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887436 605989239 /nfs/dbraw/zinc/98/92/39/605989239.db2.gz GHIPYQNTPFXUFA-LSDHHAIUSA-N 0 1 364.442 2.906 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC000824010735 608492990 /nfs/dbraw/zinc/49/29/90/608492990.db2.gz RRBMJOSYAGMDSF-SNVBAGLBSA-N 0 1 355.373 2.765 20 10 FFCDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C)c(F)c1 ZINC000122254434 728645740 /nfs/dbraw/zinc/64/57/40/728645740.db2.gz BOKYJWBBUBSLRJ-AWEZNQCLSA-N 0 1 350.459 2.844 20 10 FFCDMN Cc1cc(CN2CCN(Cc3cccc(Br)c3O)CC2)on1 ZINC000122378949 728646945 /nfs/dbraw/zinc/64/69/45/728646945.db2.gz NRMVDRYRIIUERI-UHFFFAOYSA-N 0 1 366.259 2.769 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000177163598 729130186 /nfs/dbraw/zinc/13/01/86/729130186.db2.gz XVLWBNVEYLDRGN-OAHLLOKOSA-N 0 1 366.889 2.792 20 10 FFCDMN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000180471217 729215115 /nfs/dbraw/zinc/21/51/15/729215115.db2.gz IFHWRVKSZVTCRD-HNNXBMFYSA-N 0 1 371.522 2.794 20 10 FFCDMN CSc1nn(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c(=O)[nH]1 ZINC000188166149 729385192 /nfs/dbraw/zinc/38/51/92/729385192.db2.gz OIWVYNAHOULHSA-UHFFFAOYSA-N 0 1 356.451 2.892 20 10 FFCDMN COC(=O)[C@H](C)NCc1cc(Br)cc(Br)c1O ZINC000272405880 729697890 /nfs/dbraw/zinc/69/78/90/729697890.db2.gz KDDZUGZHCHEEKH-LURJTMIESA-N 0 1 367.037 2.568 20 10 FFCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccncc3Cl)cc2)C1 ZINC000858104349 730416718 /nfs/dbraw/zinc/41/67/18/730416718.db2.gz HKQBGZKDOPZTRX-INIZCTEOSA-N 0 1 358.873 2.727 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1[O-] ZINC000858564298 730428947 /nfs/dbraw/zinc/42/89/47/730428947.db2.gz KBCWSRCHKJHBGA-RHSMWYFYSA-N 0 1 361.873 2.992 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000862400472 730697372 /nfs/dbraw/zinc/69/73/72/730697372.db2.gz ADKRSVLHSZXZPT-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]nn3)cc2Cl)C1 ZINC000868064583 731255988 /nfs/dbraw/zinc/25/59/88/731255988.db2.gz CILQUNNDCHNILP-ZDUSSCGKSA-N 0 1 361.877 2.943 20 10 FFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3cnn[nH]3)cc2Cl)C1 ZINC000868064583 731255992 /nfs/dbraw/zinc/25/59/92/731255992.db2.gz CILQUNNDCHNILP-ZDUSSCGKSA-N 0 1 361.877 2.943 20 10 FFCDMN O=C(NCCC[C@H]1CCOC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000873170757 731883976 /nfs/dbraw/zinc/88/39/76/731883976.db2.gz ZMPLXGQIDHBBNI-VIFPVBQESA-N 0 1 361.225 2.842 20 10 FFCDMN COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)sn1 ZINC000876966208 732304519 /nfs/dbraw/zinc/30/45/19/732304519.db2.gz RGOKOWRUHYIWHL-UHFFFAOYSA-N 0 1 351.447 2.542 20 10 FFCDMN O=C(Cn1cc(NCc2ccc(F)c(F)c2O)cn1)NC1CCCC1 ZINC000877148611 732328382 /nfs/dbraw/zinc/32/83/82/732328382.db2.gz PYBUKLGSWXITLN-UHFFFAOYSA-N 0 1 350.369 2.538 20 10 FFCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Cl)c1OC ZINC000730438000 734637250 /nfs/dbraw/zinc/63/72/50/734637250.db2.gz XKXDTGRSGPUVET-JLHYYAGUSA-N 0 1 358.781 2.819 20 10 FFCDMN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894535092 734875733 /nfs/dbraw/zinc/87/57/33/734875733.db2.gz WQCUVMKFDBBLPT-OCCSQVGLSA-N 0 1 372.234 2.864 20 10 FFCDMN Cc1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cnc1Cl ZINC000735267645 734937161 /nfs/dbraw/zinc/93/71/61/734937161.db2.gz UZVFHZZBHCWBAF-UHFFFAOYSA-N 0 1 367.858 2.681 20 10 FFCDMN COc1cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754742161 736192731 /nfs/dbraw/zinc/19/27/31/736192731.db2.gz QUPDLPBXWDBRTO-CYBMUJFWSA-N 0 1 355.500 2.565 20 10 FFCDMN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000756482828 736335264 /nfs/dbraw/zinc/33/52/64/736335264.db2.gz JBOGVMOBACUWNF-CYBMUJFWSA-N 0 1 350.484 2.914 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000758773079 736519916 /nfs/dbraw/zinc/51/99/16/736519916.db2.gz HFUZXQPRGWREIZ-UHFFFAOYSA-N 0 1 353.371 2.555 20 10 FFCDMN C/C(=C/C(=O)NCc1cc(Cl)cc(Cl)c1O)CN1CCOCC1 ZINC000908211190 736740979 /nfs/dbraw/zinc/74/09/79/736740979.db2.gz GMQLPQLBOSILGE-WDZFZDKYSA-N 0 1 359.253 2.594 20 10 FFCDMN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(Cl)cc(F)c1O ZINC000763481025 736940802 /nfs/dbraw/zinc/94/08/02/736940802.db2.gz PALSHKYKRWSMSG-OAHLLOKOSA-N 0 1 352.793 2.844 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@@]12CCOC2 ZINC000764257467 737006026 /nfs/dbraw/zinc/00/60/26/737006026.db2.gz HLANPHFHQJCBDO-JTDSTZFVSA-N 0 1 364.873 2.553 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)sn3)cc2F)CC1 ZINC000766612098 737245482 /nfs/dbraw/zinc/24/54/82/737245482.db2.gz SMTIMFQDPAPAAX-UHFFFAOYSA-N 0 1 362.474 2.663 20 10 FFCDMN Oc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)[C@H](O)CO2 ZINC000768438630 737423055 /nfs/dbraw/zinc/42/30/55/737423055.db2.gz WECFPBWQMSVHDP-GOSISDBHSA-N 0 1 360.841 2.794 20 10 FFCDMN COc1cccc(O)c1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000769394656 737523905 /nfs/dbraw/zinc/52/39/05/737523905.db2.gz AXGODABKAUWUEZ-UHFFFAOYSA-N 0 1 356.451 2.728 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=O ZINC000771058860 737690478 /nfs/dbraw/zinc/69/04/78/737690478.db2.gz OINMAEQUGUWPPM-AWEZNQCLSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=O ZINC000771058860 737690480 /nfs/dbraw/zinc/69/04/80/737690480.db2.gz OINMAEQUGUWPPM-AWEZNQCLSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=O ZINC000771058860 737690483 /nfs/dbraw/zinc/69/04/83/737690483.db2.gz OINMAEQUGUWPPM-AWEZNQCLSA-N 0 1 361.829 2.541 20 10 FFCDMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(N(C)C)cc1 ZINC000775402261 738090283 /nfs/dbraw/zinc/09/02/83/738090283.db2.gz CEISUTFTGNENOS-SECBINFHSA-N 0 1 354.526 2.862 20 10 FFCDMN COC(=O)c1cnc(CC[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000922832608 738206743 /nfs/dbraw/zinc/20/67/43/738206743.db2.gz WHPPCKSIVVGMHZ-UHFFFAOYSA-N 0 1 371.256 2.730 20 10 FFCDMN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCS1 ZINC000924004795 738357169 /nfs/dbraw/zinc/35/71/69/738357169.db2.gz BDLYDKNRRHXLFH-WBVHZDCISA-N 0 1 362.543 2.522 20 10 FFCDMN COc1ccc2nc(/C=C3/C(=O)NN(c4ccccc4)C3=O)sc2c1 ZINC000788733390 739278228 /nfs/dbraw/zinc/27/82/28/739278228.db2.gz PVYOWNHUURYSJW-RAXLEYEMSA-N 0 1 351.387 2.766 20 10 FFCDMN COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]1COCC2 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HQDPUMBVIBHGAY-UHFFFAOYSA-N 0 1 374.249 2.973 20 10 FFCDMN COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000810165937 741394042 /nfs/dbraw/zinc/39/40/42/741394042.db2.gz ICHWITLNXSNMFF-UHFFFAOYSA-N 0 1 369.761 2.753 20 10 FFCDMN O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514584 741532577 /nfs/dbraw/zinc/53/25/77/741532577.db2.gz AYRXVERVMNWFFR-SNVBAGLBSA-N 0 1 350.768 2.936 20 10 FFCDMN COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811786712 741558568 /nfs/dbraw/zinc/55/85/68/741558568.db2.gz VWVRNIUTULWVFR-LBPRGKRZSA-N 0 1 360.376 2.600 20 10 FFCDMN COc1cc(C)cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811786712 741558569 /nfs/dbraw/zinc/55/85/69/741558569.db2.gz VWVRNIUTULWVFR-LBPRGKRZSA-N 0 1 360.376 2.600 20 10 FFCDMN COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(O)c1 ZINC000816590747 742045068 /nfs/dbraw/zinc/04/50/68/742045068.db2.gz KNAGURMJXJYFCD-INIZCTEOSA-N 0 1 369.776 2.903 20 10 FFCDMN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@H]2C1 ZINC000816639059 742049961 /nfs/dbraw/zinc/04/99/61/742049961.db2.gz GIHZNMIKMXXNPT-JKSUJKDBSA-N 0 1 369.303 2.758 20 10 FFCDMN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@H]2C1 ZINC000816639059 742049966 /nfs/dbraw/zinc/04/99/66/742049966.db2.gz GIHZNMIKMXXNPT-JKSUJKDBSA-N 0 1 369.303 2.758 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816667853 742052081 /nfs/dbraw/zinc/05/20/81/742052081.db2.gz YHCAHYOUZBWOKU-CVEARBPZSA-N 0 1 356.260 2.564 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@]3(C)CC3(F)F)cc2F)CC1 ZINC000817431927 742142986 /nfs/dbraw/zinc/14/29/86/742142986.db2.gz GCJFMFIBGQFWSD-QGZVFWFLSA-N 0 1 355.404 2.629 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1O ZINC000817882135 742220535 /nfs/dbraw/zinc/22/05/35/742220535.db2.gz ZWHOIEDARDIBTB-MWLCHTKSSA-N 0 1 358.232 2.706 20 10 FFCDMN CC(C)C(=O)NC1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824561160 743105269 /nfs/dbraw/zinc/10/52/69/743105269.db2.gz QPLHNOKLKMKDAO-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824561160 743105276 /nfs/dbraw/zinc/10/52/76/743105276.db2.gz QPLHNOKLKMKDAO-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825283356 743240986 /nfs/dbraw/zinc/24/09/86/743240986.db2.gz KHGGOOIFQAKKHF-CQSZACIVSA-N 0 1 352.228 2.987 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825290896 743243203 /nfs/dbraw/zinc/24/32/03/743243203.db2.gz AMAMDKREZXJDSH-STQMWFEESA-N 0 1 362.289 2.600 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000825699127 743313772 /nfs/dbraw/zinc/31/37/72/743313772.db2.gz SMWBWLGBRAZEBY-UHFFFAOYSA-N 0 1 363.259 2.703 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000826043611 743361007 /nfs/dbraw/zinc/36/10/07/743361007.db2.gz MDVBZLYMAVVHKF-BPLDGKMQSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000826043611 743361014 /nfs/dbraw/zinc/36/10/14/743361014.db2.gz MDVBZLYMAVVHKF-BPLDGKMQSA-N 0 1 356.260 2.517 20 10 FFCDMN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826083525 743365767 /nfs/dbraw/zinc/36/57/67/743365767.db2.gz IYDQVNUIAJFBPG-BBRMVZONSA-N 0 1 366.259 2.898 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000826097342 743367154 /nfs/dbraw/zinc/36/71/54/743367154.db2.gz YZUSAGYENNRLSL-SKDRFNHKSA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000826097342 743367160 /nfs/dbraw/zinc/36/71/60/743367160.db2.gz YZUSAGYENNRLSL-SKDRFNHKSA-N 0 1 354.166 2.900 20 10 FFCDMN Oc1cc(Br)ccc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000826097342 743367164 /nfs/dbraw/zinc/36/71/64/743367164.db2.gz YZUSAGYENNRLSL-SKDRFNHKSA-N 0 1 354.166 2.900 20 10 FFCDMN COCCN(Cc1ccc(Br)cc1O)C[C@H](O)C(F)(F)F ZINC000826534459 743391771 /nfs/dbraw/zinc/39/17/71/743391771.db2.gz GTBKPSDTCNMAQB-LBPRGKRZSA-N 0 1 372.181 2.526 20 10 FFCDMN CCC[C@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095337 743505132 /nfs/dbraw/zinc/50/51/32/743505132.db2.gz DRKALASFCCZNIH-RDJZCZTQSA-N 0 1 354.878 2.941 20 10 FFCDMN O=S(=O)(CCOCC1CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000827617211 744948789 /nfs/dbraw/zinc/94/87/89/744948789.db2.gz DSJXGFBVVUKGKG-UHFFFAOYSA-N 0 1 368.282 2.935 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000835082224 745947320 /nfs/dbraw/zinc/94/73/20/745947320.db2.gz PKDHIZBSEPULDG-AWEZNQCLSA-N 0 1 354.422 2.647 20 10 FFCDMN CC(C)n1nccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146175 746788051 /nfs/dbraw/zinc/78/80/51/746788051.db2.gz YLNDEKDXLOEWGK-UHFFFAOYSA-N 0 1 350.413 2.869 20 10 FFCDMN COc1cc(O)c(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OC ZINC000839172452 746793244 /nfs/dbraw/zinc/79/32/44/746793244.db2.gz OTMGSTDNUBJJPD-DOTOQJQBSA-N 0 1 365.451 2.834 20 10 FFCDMN COc1ccc(N2CCN(C(=O)[C@@H](N)c3cccc(Cl)c3)CC2)cc1 ZINC000843486648 747844325 /nfs/dbraw/zinc/84/43/25/747844325.db2.gz ZCCPPDMZAIWKKD-SFHVURJKSA-N 0 1 359.857 2.697 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCc2ncncc2C1 ZINC000843890353 747920899 /nfs/dbraw/zinc/92/08/99/747920899.db2.gz STBDGJKMEAAZDV-SECBINFHSA-N 0 1 352.221 2.910 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1[O-] ZINC000852760865 749947002 /nfs/dbraw/zinc/94/70/02/749947002.db2.gz NRZFZVVBBKDFNO-MRXNPFEDSA-N 0 1 354.878 2.791 20 10 FFCDMN COc1ccc(CN[C@H](c2nnc3ccccn32)C(C)C)c(O)c1OC ZINC000893332918 971624057 /nfs/dbraw/zinc/62/40/57/971624057.db2.gz FLEPNMVKKFGOFP-INIZCTEOSA-N 0 1 356.426 2.939 20 10 FFCDMN CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275956042 1013226534 /nfs/dbraw/zinc/22/65/34/1013226534.db2.gz BPTPEHBTNDXTKX-LJQANCHMSA-N 0 1 366.408 2.668 20 10 FFCDMN O=C1N(CCC(F)(F)F)CC[C@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276031649 1013297729 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HJHYDGFSEQACCR-ROUUACIJSA-N 0 1 360.502 2.528 20 10 FFCDMN COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c([O-])ccc(F)c2F)c1 ZINC001237453991 1043175462 /nfs/dbraw/zinc/17/54/62/1043175462.db2.gz UOCXWIIVSXLREU-MRXNPFEDSA-N 0 1 362.376 2.604 20 10 FFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001237489407 1043203640 /nfs/dbraw/zinc/20/36/40/1043203640.db2.gz XOOKBQHICRTMST-GHTZIAJQSA-N 0 1 351.450 2.624 20 10 FFCDMN O=c1cccc(CN2CC3(C2)CCC[N@H+](Cc2cccc(F)c2[O-])C3)[nH]1 ZINC001279525412 1043223677 /nfs/dbraw/zinc/22/36/77/1043223677.db2.gz QKDHBXDYBSQAOE-UHFFFAOYSA-N 0 1 357.429 2.730 20 10 FFCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237784361 1043354887 /nfs/dbraw/zinc/35/48/87/1043354887.db2.gz USYNIOHAPBZWOY-GWCFXTLKSA-N 0 1 359.207 2.608 20 10 FFCDMN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3cc(F)cc(Cl)c3O)[C@@H]2C1 ZINC001237812938 1043373510 /nfs/dbraw/zinc/37/35/10/1043373510.db2.gz JAZIZQXWEDGWDA-IUIKQTSFSA-N 0 1 370.852 2.689 20 10 FFCDMN COc1ccc(N2CC3(CN(Cc4ccc(NC(C)=O)cc4)C3)C2)cc1 ZINC001279731836 1043547291 /nfs/dbraw/zinc/54/72/91/1043547291.db2.gz PYHXRVBSUCTCNT-UHFFFAOYSA-N 0 1 351.450 2.976 20 10 FFCDMN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279976233 1044020039 /nfs/dbraw/zinc/02/00/39/1044020039.db2.gz OTDPSDORQHZMNM-SJKOYZFVSA-N 0 1 353.249 2.919 20 10 FFCDMN O=C([C@@H]1CCSC12CN(Cc1cc(O)ccc1O)C2)N1CCCC12CC2 ZINC001280084059 1044184841 /nfs/dbraw/zinc/18/48/41/1044184841.db2.gz TZZGMJYSEQQTPA-INIZCTEOSA-N 0 1 374.506 2.560 20 10 FFCDMN C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Br)ccc1[O-] ZINC001320411497 1045403335 /nfs/dbraw/zinc/40/33/35/1045403335.db2.gz OHOYNZJFQBXZCS-GFCCVEGCSA-N 0 1 357.292 2.510 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cccc4ccncc43)cc2)CC1 ZINC001288334816 1047449453 /nfs/dbraw/zinc/44/94/53/1047449453.db2.gz RBHOEOVMIKYMBE-UHFFFAOYSA-N 0 1 360.461 2.917 20 10 FFCDMN C[C@@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1[O-] ZINC001327471324 1047912108 /nfs/dbraw/zinc/91/21/08/1047912108.db2.gz SJNSRLYRLWPSGF-NSPYISDASA-N 0 1 373.840 2.951 20 10 FFCDMN CC(C)(C)c1nc(CN2CCN(Cc3cc(F)cc(F)c3O)CC2)no1 ZINC001331529045 1047987297 /nfs/dbraw/zinc/98/72/97/1047987297.db2.gz HRZIAIKJPHHOKS-UHFFFAOYSA-N 0 1 366.412 2.669 20 10 FFCDMN NC(=O)c1ccc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001298840584 1050544257 /nfs/dbraw/zinc/54/42/57/1050544257.db2.gz CTLDXJVJLANQMO-DUXPYHPUSA-N 0 1 355.177 2.721 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1)C(F)(F)F ZINC001308765903 1052497096 /nfs/dbraw/zinc/49/70/96/1052497096.db2.gz LCURWTGHWFLQNT-GXSJLCMTSA-N 0 1 364.314 2.513 20 10 FFCDMN CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001308882730 1052512398 /nfs/dbraw/zinc/51/23/98/1052512398.db2.gz ADPJKUCFVUSERG-IBGZPJMESA-N 0 1 359.901 2.951 20 10 FFCDMN CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001308954048 1052525999 /nfs/dbraw/zinc/52/59/99/1052525999.db2.gz GJKXTROUFRDZEH-QGZVFWFLSA-N 0 1 356.850 2.507 20 10 FFCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000847402763 1055710033 /nfs/dbraw/zinc/71/00/33/1055710033.db2.gz VCLRDZVBXPVMIA-INIZCTEOSA-N 0 1 373.457 2.874 20 10 FFCDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407602 1055722849 /nfs/dbraw/zinc/72/28/49/1055722849.db2.gz LRIRPYWLQDDOIW-OXJNMPFZSA-N 0 1 370.497 2.862 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+]C3(C(=O)[O-])CCC(F)(F)CC3)cc2)CC1 ZINC000849232293 1056804902 /nfs/dbraw/zinc/80/49/02/1056804902.db2.gz VRVSWFIYAXRBOC-UHFFFAOYSA-N 0 1 367.440 2.561 20 10 FFCDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC001445883409 1058452946 /nfs/dbraw/zinc/45/29/46/1058452946.db2.gz MXUSBXXQEUQYIK-XCRHUMRWSA-N 0 1 366.889 2.941 20 10 FFCDMN CCc1nc([C@@H]2C[C@@H](O)CN2Cc2ccc(N3CCCCC3)c(C)c2)n[nH]1 ZINC001460956130 1061165544 /nfs/dbraw/zinc/16/55/44/1061165544.db2.gz ORMNFKJLBAOINJ-MJGOQNOKSA-N 0 1 369.513 2.974 20 10 FFCDMN COc1cc2c(cc1CNCc1ccc(N3CCOCC3)c(F)c1)OCO2 ZINC001461068749 1061203380 /nfs/dbraw/zinc/20/33/80/1061203380.db2.gz XQYPOYXVPJPYKW-UHFFFAOYSA-N 0 1 374.412 2.689 20 10 FFCDMN COc1ccc(F)cc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001476292660 1061384252 /nfs/dbraw/zinc/38/42/52/1061384252.db2.gz OYFGPGYRRSBTDV-UHFFFAOYSA-N 0 1 372.444 2.908 20 10 FFCDMN C[C@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O ZINC001477989295 1061862989 /nfs/dbraw/zinc/86/29/89/1061862989.db2.gz JMLBQJSIOYZDIU-NSHDSACASA-N 0 1 355.373 2.877 20 10 FFCDMN C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001477989295 1061863002 /nfs/dbraw/zinc/86/30/02/1061863002.db2.gz JMLBQJSIOYZDIU-NSHDSACASA-N 0 1 355.373 2.877 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccncc3C)cc2F)CC1 ZINC001464943435 1062914444 /nfs/dbraw/zinc/91/44/44/1062914444.db2.gz HQJCPNPQILHUQW-UHFFFAOYSA-N 0 1 370.472 2.530 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1COc2ccc(O)cc2O1 ZINC001468666936 1064020842 /nfs/dbraw/zinc/02/08/42/1064020842.db2.gz CRLAYSNXBBDFTI-CQSZACIVSA-N 0 1 370.188 2.861 20 10 FFCDMN CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](CC)CO1 ZINC001471190220 1064595127 /nfs/dbraw/zinc/59/51/27/1064595127.db2.gz GYRZLGMDMNMJPO-ICSRJNTNSA-N 0 1 374.529 2.537 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3nc(C4CC4)cs3)cc2)CC1 ZINC001471565112 1064716406 /nfs/dbraw/zinc/71/64/06/1064716406.db2.gz PRRWILJQQCSOON-UHFFFAOYSA-N 0 1 370.522 2.631 20 10 FFCDMN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472685849 1065128717 /nfs/dbraw/zinc/12/87/17/1065128717.db2.gz SYCRDLUNOSSCEO-UHFFFAOYSA-N 0 1 357.410 2.816 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001474269919 1065482050 /nfs/dbraw/zinc/48/20/50/1065482050.db2.gz PSNWWNUKOJUMAQ-ZDUSSCGKSA-N 0 1 354.219 2.987 20 10 FFCDMN COc1cc(C)c(CN2CCN(Cc3cn4ccccc4n3)CC2)c(O)c1 ZINC001474407205 1065514729 /nfs/dbraw/zinc/51/47/29/1065514729.db2.gz YHLKPTDGSIDDBO-UHFFFAOYSA-N 0 1 366.465 2.675 20 10 FFCDMN COc1ccc(-c2cc(C(=O)N(C)c3ccc(N)cc3)[nH]n2)c(OC)c1 ZINC001579176412 1078581478 /nfs/dbraw/zinc/58/14/78/1078581478.db2.gz QZKBAPGNCLDMIM-UHFFFAOYSA-N 0 1 352.394 2.953 20 10 FFCDMN Fc1cc(CNCc2cnn(CC(F)(F)F)c2)ccc1N1CCOCC1 ZINC001560374616 1076269027 /nfs/dbraw/zinc/26/90/27/1076269027.db2.gz LNQIFFAPPLZJRG-UHFFFAOYSA-N 0 1 372.366 2.711 20 10 FFCDMN O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001560659890 1076288753 /nfs/dbraw/zinc/28/87/53/1076288753.db2.gz XFHXQSCBVJQDHS-UHFFFAOYSA-N 0 1 368.330 2.907 20 10 FFCDMN CCOc1ccnc(N2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC001560670360 1076290261 /nfs/dbraw/zinc/29/02/61/1076290261.db2.gz BLOCNTOFOXHPQP-UHFFFAOYSA-N 0 1 364.396 2.571 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)CCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001561036354 1076323555 /nfs/dbraw/zinc/32/35/55/1076323555.db2.gz YTPTWZNUZAPVFR-UHFFFAOYSA-N 0 1 354.403 2.863 20 10 FFCDMN COC(=O)c1c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082005 1077891911 /nfs/dbraw/zinc/89/19/11/1077891911.db2.gz SZCNEVXJANLKHE-RYUDHWBXSA-N 0 1 362.401 2.647 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)CCc3ccco3)CC2)cc1 ZINC000028064999 507706762 /nfs/dbraw/zinc/70/67/62/507706762.db2.gz DZBYVWJHXKOVAS-UHFFFAOYSA-N 0 1 371.481 2.549 20 10 FFCDMN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000093613081 508150143 /nfs/dbraw/zinc/15/01/43/508150143.db2.gz BDGMETXGKCYEMG-JKSUJKDBSA-N 0 1 370.287 2.907 20 10 FFCDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130732881 508838045 /nfs/dbraw/zinc/83/80/45/508838045.db2.gz OXNWYPNVGWCDEN-IBGZPJMESA-N 0 1 369.513 2.888 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000120544203 509018087 /nfs/dbraw/zinc/01/80/87/509018087.db2.gz PXQLWMXOJDVFDZ-CYBMUJFWSA-N 0 1 365.474 2.732 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155583733 509031533 /nfs/dbraw/zinc/03/15/33/509031533.db2.gz LUJJNQUQYTXASN-CYBMUJFWSA-N 0 1 356.455 2.689 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155583733 509031534 /nfs/dbraw/zinc/03/15/34/509031534.db2.gz LUJJNQUQYTXASN-CYBMUJFWSA-N 0 1 356.455 2.689 20 10 FFCDMN CC(C)C(=O)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000226036612 509395159 /nfs/dbraw/zinc/39/51/59/509395159.db2.gz XGRVDWPYXUDAJQ-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1C ZINC000182784346 509424098 /nfs/dbraw/zinc/42/40/98/509424098.db2.gz VZGUXAXHDIXURD-UHFFFAOYSA-N 0 1 372.468 2.767 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179882705 509659741 /nfs/dbraw/zinc/65/97/41/509659741.db2.gz HUJWNQZQTYJAGB-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000269916956 510596940 /nfs/dbraw/zinc/59/69/40/510596940.db2.gz JTCFIYDTXPAYBM-DOTOQJQBSA-N 0 1 366.255 2.729 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964731 510605720 /nfs/dbraw/zinc/60/57/20/510605720.db2.gz DYVDLNKMJQGUTC-CYBMUJFWSA-N 0 1 364.467 2.502 20 10 FFCDMN Cc1cc(N2CCC([NH2+]Cc3cc(Br)ccc3[O-])CC2)n[nH]1 ZINC000276012552 510923136 /nfs/dbraw/zinc/92/31/36/510923136.db2.gz MJWIBOXYOOKJMP-UHFFFAOYSA-N 0 1 365.275 2.945 20 10 FFCDMN COc1c([O-])c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000278289233 510988096 /nfs/dbraw/zinc/98/80/96/510988096.db2.gz UUNJKKBEXNNQMY-UHFFFAOYSA-N 0 1 371.393 2.573 20 10 FFCDMN COc1c([O-])c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000278289233 510988098 /nfs/dbraw/zinc/98/80/98/510988098.db2.gz UUNJKKBEXNNQMY-UHFFFAOYSA-N 0 1 371.393 2.573 20 10 FFCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2c([O-])cccc2Cl)cc1O ZINC000289538280 511103819 /nfs/dbraw/zinc/10/38/19/511103819.db2.gz WQNWPSVJVSTFME-ZDUSSCGKSA-N 0 1 351.830 2.701 20 10 FFCDMN O=C([C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000290570086 511146164 /nfs/dbraw/zinc/14/61/64/511146164.db2.gz SZQAADLITKLHIR-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000290570086 511146166 /nfs/dbraw/zinc/14/61/66/511146166.db2.gz SZQAADLITKLHIR-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000298203798 511208415 /nfs/dbraw/zinc/20/84/15/511208415.db2.gz CPRSFBROQYFOOO-AEFFLSMTSA-N 0 1 351.441 2.688 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1ccccc1F)cc2=O ZINC000292164561 511491002 /nfs/dbraw/zinc/49/10/02/511491002.db2.gz OXINTSIBTSBZMF-UHFFFAOYSA-N 0 1 372.400 2.776 20 10 FFCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000292474311 511609830 /nfs/dbraw/zinc/60/98/30/511609830.db2.gz RPSCRCNLASHTPL-VBKZILBWSA-N 0 1 373.522 2.722 20 10 FFCDMN CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483909 511762240 /nfs/dbraw/zinc/76/22/40/511762240.db2.gz OISNYXTUZDOKAO-BZQUYTCOSA-N 0 1 367.511 2.846 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1[O-] ZINC000363869555 511819723 /nfs/dbraw/zinc/81/97/23/511819723.db2.gz RIYCFSRLGKITOA-AAEUAGOBSA-N 0 1 365.275 2.818 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000366102838 511840393 /nfs/dbraw/zinc/84/03/93/511840393.db2.gz HIFQJWAPOCCDPA-UHFFFAOYSA-N 0 1 358.417 2.625 20 10 FFCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296864913 511927549 /nfs/dbraw/zinc/92/75/49/511927549.db2.gz ZDCDYADHLLULTP-AWEZNQCLSA-N 0 1 356.426 2.628 20 10 FFCDMN Fc1cc(CN[C@@H](c2cccs2)c2nnc[nH]2)ccc1N1CCOCC1 ZINC000293714718 512061055 /nfs/dbraw/zinc/06/10/55/512061055.db2.gz MDVRPCIYYXIXGV-KRWDZBQOSA-N 0 1 373.457 2.721 20 10 FFCDMN Oc1ccc(Br)cc1CN1CCC(Oc2cnccn2)CC1 ZINC000369671833 512547014 /nfs/dbraw/zinc/54/70/14/512547014.db2.gz VWLGIUXCELONRE-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN Cc1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(C)n1-c1ccccn1 ZINC000370298862 512865908 /nfs/dbraw/zinc/86/59/08/512865908.db2.gz FSLNXMDZKCYGMS-HNNXBMFYSA-N 0 1 350.426 2.627 20 10 FFCDMN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370742082 513079356 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CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1[O-] ZINC000858465893 730426547 /nfs/dbraw/zinc/42/65/47/730426547.db2.gz PHRXTOONYUKNFY-APWZRJJASA-N 0 1 368.905 2.702 20 10 FFCDMN CCCC1=C(C(=O)OC)[C@H](c2cc(F)c(N(C)C)cc2F)NC(=S)N1 ZINC000863391320 730775626 /nfs/dbraw/zinc/77/56/26/730775626.db2.gz JLBSZQBDTPMSDL-HNNXBMFYSA-N 0 1 369.437 2.777 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc(C(N)=O)c(Cl)c3)cc2)CC1 ZINC000863986897 730819383 /nfs/dbraw/zinc/81/93/83/730819383.db2.gz KCAOAJJIPZDSOI-UHFFFAOYSA-N 0 1 358.873 2.803 20 10 FFCDMN O=C(N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000877567573 732389524 /nfs/dbraw/zinc/38/95/24/732389524.db2.gz YKIRYVIMDUYGJK-MWLCHTKSSA-N 0 1 364.314 2.513 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000781904553 738670199 /nfs/dbraw/zinc/67/01/99/738670199.db2.gz ICQYSLUDBHDZEJ-GFCCVEGCSA-N 0 1 355.276 2.941 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000781911921 738671468 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COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(O)c1 ZINC000792179500 739647793 /nfs/dbraw/zinc/64/77/93/739647793.db2.gz HIEHASJUVVBKDA-MRXNPFEDSA-N 0 1 369.776 2.903 20 10 FFCDMN CC[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363214 739773783 /nfs/dbraw/zinc/77/37/83/739773783.db2.gz RGKXKXDXHKVBDL-BBRMVZONSA-N 0 1 356.260 2.925 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000797116138 740213672 /nfs/dbraw/zinc/21/36/72/740213672.db2.gz FLBOISFNNHUXHH-UKRRQHHQSA-N 0 1 360.907 2.900 20 10 FFCDMN Cc1ccncc1N1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000798962424 740377480 /nfs/dbraw/zinc/37/74/80/740377480.db2.gz RZXLHFFVIOICDQ-UHFFFAOYSA-N 0 1 362.817 2.979 20 10 FFCDMN C[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CC(=O)N1C ZINC000799954612 740467122 /nfs/dbraw/zinc/46/71/22/740467122.db2.gz BAZSXXZQPYKCBP-NSHDSACASA-N 0 1 363.255 2.970 20 10 FFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc[nH]n3)cc2Cl)C1 ZINC000800570250 740534322 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CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000815167140 741908408 /nfs/dbraw/zinc/90/84/08/741908408.db2.gz SDJBVPAMKAWNHQ-IMJJTQAJSA-N 0 1 366.259 2.860 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cn2cccn2)on1 ZINC000816681739 742053309 /nfs/dbraw/zinc/05/33/09/742053309.db2.gz FZMIWOMFIRXSLY-UHFFFAOYSA-N 0 1 367.192 2.862 20 10 FFCDMN COCn1nc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1C ZINC000818049798 742233109 /nfs/dbraw/zinc/23/31/09/742233109.db2.gz XBXVMHRTWFFVJW-UHFFFAOYSA-N 0 1 353.444 2.536 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000824502272 743094229 /nfs/dbraw/zinc/09/42/29/743094229.db2.gz ZDLVKALAUCJPPB-OAHLLOKOSA-N 0 1 354.219 2.987 20 10 FFCDMN O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000824807711 743152499 /nfs/dbraw/zinc/15/24/99/743152499.db2.gz HHZNDLIFNAYYJD-CQSZACIVSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000824807711 743152500 /nfs/dbraw/zinc/15/25/00/743152500.db2.gz HHZNDLIFNAYYJD-CQSZACIVSA-N 0 1 367.287 2.989 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000824943199 743183214 /nfs/dbraw/zinc/18/32/14/743183214.db2.gz JIRFQPWYNPPMQF-LBPRGKRZSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000824943199 743183218 /nfs/dbraw/zinc/18/32/18/743183218.db2.gz JIRFQPWYNPPMQF-LBPRGKRZSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124494 743214166 /nfs/dbraw/zinc/21/41/66/743214166.db2.gz RDYJJYMUZHYENU-BXKDBHETSA-N 0 1 354.166 2.900 20 10 FFCDMN COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825131410 743215149 /nfs/dbraw/zinc/21/51/49/743215149.db2.gz NQEXHGDNPZVWEP-HNNXBMFYSA-N 0 1 352.228 2.987 20 10 FFCDMN CN(C)C(=O)C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCC1 ZINC000825265782 743237673 /nfs/dbraw/zinc/23/76/73/743237673.db2.gz DWEMOZCEBPRXCL-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN O=C(c1c(F)ccc(O)c1[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000825461004 743275020 /nfs/dbraw/zinc/27/50/20/743275020.db2.gz OAQGBLHKHJCHLK-UHFFFAOYSA-N 0 1 350.434 2.965 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562090 743293719 /nfs/dbraw/zinc/29/37/19/743293719.db2.gz JOCPETLASIJMOE-SNVBAGLBSA-N 0 1 350.768 2.854 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562090 743293721 /nfs/dbraw/zinc/29/37/21/743293721.db2.gz JOCPETLASIJMOE-SNVBAGLBSA-N 0 1 350.768 2.854 20 10 FFCDMN CS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCC1 ZINC000825892702 743339246 /nfs/dbraw/zinc/33/92/46/743339246.db2.gz HCPBBSYCTLTAAU-UHFFFAOYSA-N 0 1 362.289 2.602 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544861 743598424 /nfs/dbraw/zinc/59/84/24/743598424.db2.gz MOKMYPHRKJCKCA-ZDUSSCGKSA-N 0 1 370.291 2.651 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000827634621 744951365 /nfs/dbraw/zinc/95/13/65/744951365.db2.gz WKUJWNDKEZZCPI-GFCCVEGCSA-N 0 1 353.260 2.599 20 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/nfs/dbraw/zinc/91/38/94/745913894.db2.gz IJLCYPHHQPZEBN-JSGCOSHPSA-N 0 1 357.292 2.652 20 10 FFCDMN O=C(CNCc1ccc(N2CCCCC2)c(Br)c1)NC1CC1 ZINC000839098777 746774413 /nfs/dbraw/zinc/77/44/13/746774413.db2.gz PTZLRKQLXYUYKV-UHFFFAOYSA-N 0 1 366.303 2.808 20 10 FFCDMN CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000840782029 747181950 /nfs/dbraw/zinc/18/19/50/747181950.db2.gz ZZKZEFPTIYMNEU-KRWDZBQOSA-N 0 1 368.905 2.968 20 10 FFCDMN COC(=O)c1cn(C2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)nn1 ZINC000840939750 747235486 /nfs/dbraw/zinc/23/54/86/747235486.db2.gz PSCHYLUKNJTCGE-UHFFFAOYSA-N 0 1 364.833 2.569 20 10 FFCDMN Cc1cc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 ZINC000840950920 747239992 /nfs/dbraw/zinc/23/99/92/747239992.db2.gz QTXVIZXIUJMHBI-UHFFFAOYSA-N 0 1 368.886 2.894 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 ZINC000840950920 747239996 /nfs/dbraw/zinc/23/99/96/747239996.db2.gz QTXVIZXIUJMHBI-UHFFFAOYSA-N 0 1 368.886 2.894 20 10 FFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841746428 747447464 /nfs/dbraw/zinc/44/74/64/747447464.db2.gz GPFIWAOEUIUZLZ-LBPRGKRZSA-N 0 1 354.859 2.675 20 10 FFCDMN CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000841895123 747483492 /nfs/dbraw/zinc/48/34/92/747483492.db2.gz RUQBJMAMSMGKPM-UHFFFAOYSA-N 0 1 370.877 2.897 20 10 FFCDMN COCC[N@H+]1CCN(Cc2cccc(Br)c2[O-])C(C)(C)C1 ZINC000846101295 748407535 /nfs/dbraw/zinc/40/75/35/748407535.db2.gz ABEJHHCXOFRPCX-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000846206925 748430753 /nfs/dbraw/zinc/43/07/53/748430753.db2.gz VVHGRADFWJJAHL-GHMZBOCLSA-N 0 1 353.260 2.816 20 10 FFCDMN FC(F)(F)c1ncc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000850345143 749346173 /nfs/dbraw/zinc/34/61/73/749346173.db2.gz LOBUXMUBXLEMGG-UHFFFAOYSA-N 0 1 352.360 2.622 20 10 FFCDMN Cc1cc(O)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1C ZINC000023614121 960741678 /nfs/dbraw/zinc/74/16/78/960741678.db2.gz LINFRKADWREZKE-UHFFFAOYSA-N 0 1 353.466 2.765 20 10 FFCDMN CCOCCN1CC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276032218 1013297699 /nfs/dbraw/zinc/29/76/99/1013297699.db2.gz TVEGBOBWCARZQZ-HXUWFJFHSA-N 0 1 364.461 2.772 20 10 FFCDMN COc1ccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1OC ZINC000894688407 965607472 /nfs/dbraw/zinc/60/74/72/965607472.db2.gz SDFLABWYWPSTIT-OXJNMPFZSA-N 0 1 361.413 2.709 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000066698642 969867889 /nfs/dbraw/zinc/86/78/89/969867889.db2.gz ROYSBAPTALOLCZ-IRXDYDNUSA-N 0 1 363.502 2.813 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccccc1 ZINC000122629563 970548642 /nfs/dbraw/zinc/54/86/42/970548642.db2.gz JECJZLHIUGPEQH-PKOBYXMFSA-N 0 1 374.868 2.860 20 10 FFCDMN [O-]c1c(F)c(F)ccc1C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000876726831 1014366349 /nfs/dbraw/zinc/36/63/49/1014366349.db2.gz ACARKAZQPCNPNL-UHFFFAOYSA-N 0 1 373.403 2.910 20 10 FFCDMN Oc1c(CN2CCn3c(Cc4ccccc4)nnc3C2)ccc(F)c1F 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FFCDMN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140101821 1035341379 /nfs/dbraw/zinc/34/13/79/1035341379.db2.gz ALMFMOZIVJRSJQ-LBPRGKRZSA-N 0 1 364.243 2.906 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140101832 1035341413 /nfs/dbraw/zinc/34/14/13/1035341413.db2.gz AWIIAILYGKRWCG-GFCCVEGCSA-N 0 1 364.243 2.988 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140101832 1035341420 /nfs/dbraw/zinc/34/14/20/1035341420.db2.gz AWIIAILYGKRWCG-GFCCVEGCSA-N 0 1 364.243 2.988 20 10 FFCDMN Oc1cccc(Br)c1CN1CCC[C@@H](Oc2ncccn2)C1 ZINC001140101832 1035341423 /nfs/dbraw/zinc/34/14/23/1035341423.db2.gz AWIIAILYGKRWCG-GFCCVEGCSA-N 0 1 364.243 2.988 20 10 FFCDMN CCN1CC2(CC1=O)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140102063 1035341521 /nfs/dbraw/zinc/34/15/21/1035341521.db2.gz IGZWZEUTFSBBAO-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN CC(=O)N1CC[C@@H](N(Cc2c(O)cccc2Br)C(C)C)C1 ZINC001140103287 1035342761 /nfs/dbraw/zinc/34/27/61/1035342761.db2.gz 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C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231455694 1037596627 /nfs/dbraw/zinc/59/66/27/1037596627.db2.gz UCFGMAYHQQITBX-SWLSCSKDSA-N 0 1 364.442 2.968 20 10 FFCDMN COC(=O)[C@@H]1CN(Cc2c(Br)ccc(OC)c2O)CC12CC2 ZINC001231555928 1037679949 /nfs/dbraw/zinc/67/99/49/1037679949.db2.gz UPYVXKMTHAIEME-NSHDSACASA-N 0 1 370.243 2.548 20 10 FFCDMN CN(C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1)C(=O)OC(C)(C)C ZINC001231566053 1037688715 /nfs/dbraw/zinc/68/87/15/1037688715.db2.gz OPNNMIQQSAKUSX-CYBMUJFWSA-N 0 1 364.442 2.779 20 10 FFCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231565869 1037690193 /nfs/dbraw/zinc/69/01/93/1037690193.db2.gz MDGHULNYYUMWIW-WFASDCNBSA-N 0 1 364.442 2.826 20 10 FFCDMN CCOC(=O)c1c(CN2CC[C@@H](N)C(F)(F)C2)c2ccccc2n1C ZINC001235915805 1037831578 /nfs/dbraw/zinc/83/15/78/1037831578.db2.gz UOHWMRRMYRGJIU-OAHLLOKOSA-N 0 1 351.397 2.523 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001231792072 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[O-]c1cc(F)c(F)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001560698874 1076292660 /nfs/dbraw/zinc/29/26/60/1076292660.db2.gz BVTUNADOOFNYBB-UHFFFAOYSA-N 0 1 368.346 2.757 20 10 FFCDMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001560925254 1076309727 /nfs/dbraw/zinc/30/97/27/1076309727.db2.gz GQKVOQQRIXHHLI-UGSOOPFHSA-N 0 1 353.846 2.836 20 10 FFCDMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001560925254 1076309730 /nfs/dbraw/zinc/30/97/30/1076309730.db2.gz GQKVOQQRIXHHLI-UGSOOPFHSA-N 0 1 353.846 2.836 20 10 FFCDMN CN(C)Cc1ccc(C(=O)NCc2cccc(Br)c2O)cn1 ZINC001568604983 1077102837 /nfs/dbraw/zinc/10/28/37/1077102837.db2.gz LQUBKSHERDGVOA-UHFFFAOYSA-N 0 1 364.243 2.541 20 10 FFCDMN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC001601660495 1126224748 /nfs/dbraw/zinc/22/47/48/1126224748.db2.gz SCHSSFRQOAGDHB-CQSZACIVSA-N 0 1 350.212 2.940 20 10 FFCDMN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089629723 507852305 /nfs/dbraw/zinc/85/23/05/507852305.db2.gz PEVNQQZLTJMTSO-CQSZACIVSA-N 0 1 372.506 2.526 20 10 FFCDMN COC(=O)CCn1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)c1C ZINC000156470271 508425648 /nfs/dbraw/zinc/42/56/48/508425648.db2.gz WVXOXZCYZORVKK-UHFFFAOYSA-N 0 1 358.486 2.761 20 10 FFCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000132945749 509095373 /nfs/dbraw/zinc/09/53/73/509095373.db2.gz BZRNGHNSHBYPIS-CYBMUJFWSA-N 0 1 365.455 2.783 20 10 FFCDMN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1[O-] ZINC000185449514 509183666 /nfs/dbraw/zinc/18/36/66/509183666.db2.gz MDVGUACTHQLPBJ-GFCCVEGCSA-N 0 1 357.292 2.916 20 10 FFCDMN CCN(C1CCN(Cc2cc(Cl)cc(C)c2O)CC1)S(C)(=O)=O ZINC000180186413 509799829 /nfs/dbraw/zinc/79/98/29/509799829.db2.gz GPQMYTUVFGPBJW-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000184916764 510581469 /nfs/dbraw/zinc/58/14/69/510581469.db2.gz SKTRLTTUJGHXQJ-SNVBAGLBSA-N 0 1 353.216 2.828 20 10 FFCDMN COCCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185145181 510710380 /nfs/dbraw/zinc/71/03/80/510710380.db2.gz QOBCTSPCIVKIFM-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000185317060 510803128 /nfs/dbraw/zinc/80/31/28/510803128.db2.gz XXABVLKBICALQC-BXKDBHETSA-N 0 1 351.248 2.720 20 10 FFCDMN O=C1[C@@H](N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000247704758 510868923 /nfs/dbraw/zinc/86/89/23/510868923.db2.gz RUNUBPYZAVVBQB-CABCVRRESA-N 0 1 372.387 2.536 20 10 FFCDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n[nH]1 ZINC000270729639 510965524 /nfs/dbraw/zinc/96/55/24/510965524.db2.gz YCCRZWOVDNZRBA-CQSZACIVSA-N 0 1 354.458 2.865 20 10 FFCDMN COc1cc(O)c(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1OC ZINC000279031999 511017625 /nfs/dbraw/zinc/01/76/25/511017625.db2.gz NQPFYESLBVOIAC-GFCCVEGCSA-N 0 1 369.425 2.749 20 10 FFCDMN [O-]c1c(F)cccc1C[N@@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289738702 511112529 /nfs/dbraw/zinc/11/25/29/511112529.db2.gz IIIGNTPMFQDXIR-UHFFFAOYSA-N 0 1 359.445 2.651 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000298203800 511208864 /nfs/dbraw/zinc/20/88/64/511208864.db2.gz CPRSFBROQYFOOO-FUHWJXTLSA-N 0 1 351.441 2.688 20 10 FFCDMN COc1ccc(O)c(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000294960422 511235832 /nfs/dbraw/zinc/23/58/32/511235832.db2.gz IGOKLGGJDKPBGL-GOSISDBHSA-N 0 1 357.454 2.531 20 10 FFCDMN O=C(c1cccc(O)c1O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000280657806 511553145 /nfs/dbraw/zinc/55/31/45/511553145.db2.gz OIDXNBLRFLQRJS-UHFFFAOYSA-N 0 1 364.405 2.903 20 10 FFCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000280928767 511656241 /nfs/dbraw/zinc/65/62/41/511656241.db2.gz HZXDNOGAVZYPQD-SNVBAGLBSA-N 0 1 362.289 2.773 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ncncc3Cl)CC2)cc1 ZINC000302567884 511709463 /nfs/dbraw/zinc/70/94/63/511709463.db2.gz PIPZTEBWUQEUEV-UHFFFAOYSA-N 0 1 361.877 2.763 20 10 FFCDMN c1csc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)c1 ZINC000293641663 512036471 /nfs/dbraw/zinc/03/64/71/512036471.db2.gz IBRLCZKXHGRLCB-QGZVFWFLSA-N 0 1 355.467 2.582 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1F ZINC000293664568 512044188 /nfs/dbraw/zinc/04/41/88/512044188.db2.gz OFEKRJMFKJKIDJ-QGZVFWFLSA-N 0 1 361.465 2.593 20 10 FFCDMN COc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1OC ZINC000373719878 512472593 /nfs/dbraw/zinc/47/25/93/512472593.db2.gz MZZXOEXISLWCMN-CKFHNAJUSA-N 0 1 351.443 2.568 20 10 FFCDMN Cn1cc([C@H](CO)NCc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000367583310 512569557 /nfs/dbraw/zinc/56/95/57/512569557.db2.gz CEBJPMMZLCLKRA-NRFANRHFSA-N 0 1 362.477 2.806 20 10 FFCDMN C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378429817 512755351 /nfs/dbraw/zinc/75/53/51/512755351.db2.gz TWLLJQOCNHBUBM-VBNZEHGJSA-N 0 1 352.862 2.551 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1OC ZINC000372639562 512980403 /nfs/dbraw/zinc/98/04/03/512980403.db2.gz NNXLRLMXGSWYGU-UHFFFAOYSA-N 0 1 361.417 2.656 20 10 FFCDMN Cc1c2ccccc2n(C)c1CN=c1ccc(C(=O)NC2CCCC2)n[nH]1 ZINC000530376350 517737984 /nfs/dbraw/zinc/73/79/84/517737984.db2.gz HSZICICFBCSOMA-UHFFFAOYSA-N 0 1 363.465 2.983 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CO[C@@H](C)C2)C1 ZINC000566269928 519403516 /nfs/dbraw/zinc/40/35/16/519403516.db2.gz DFTZMZBGXGJDJA-HOTGVXAUSA-N 0 1 355.482 2.701 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000833306822 601632411 /nfs/dbraw/zinc/63/24/11/601632411.db2.gz AEKWBLSGYXDSQK-QZTJIDSGSA-N 0 1 357.406 2.623 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1[O-] ZINC000157897129 728879238 /nfs/dbraw/zinc/87/92/38/728879238.db2.gz CDTUTKVFLBZNKU-UHFFFAOYSA-N 0 1 363.801 2.982 20 10 FFCDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1=CC(=O)CS1 ZINC000743813592 735321058 /nfs/dbraw/zinc/32/10/58/735321058.db2.gz BWUIHJOPZIRTSH-UHFFFAOYSA-N 0 1 361.467 2.857 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000898371828 735349920 /nfs/dbraw/zinc/34/99/20/735349920.db2.gz JNHOHONFPFAEOG-NSHDSACASA-N 0 1 369.252 2.872 20 10 FFCDMN CCc1cc(CN(C)CC(=O)NCCCOC)c(O)c(C(C)(C)C)c1 ZINC000068960234 728193887 /nfs/dbraw/zinc/19/38/87/728193887.db2.gz IICBOVLGKMYUDF-UHFFFAOYSA-N 0 1 350.503 2.837 20 10 FFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@H]1c1ccccc1 ZINC000092675693 728470074 /nfs/dbraw/zinc/47/00/74/728470074.db2.gz NQGPVMPHHAHESL-HNNXBMFYSA-N 0 1 361.239 2.828 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092733961 728470448 /nfs/dbraw/zinc/47/04/48/728470448.db2.gz IJHOAAIDPQSQHT-LLVKDONJSA-N 0 1 355.822 2.692 20 10 FFCDMN CC(C)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])N1CCN(C)CC1 ZINC000098039230 728484135 /nfs/dbraw/zinc/48/41/35/728484135.db2.gz CIIAHEPRDHAPOG-INIZCTEOSA-N 0 1 370.335 2.516 20 10 FFCDMN CC(C)(C)C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000128325339 728708482 /nfs/dbraw/zinc/70/84/82/728708482.db2.gz XCYWRMWFSWYSLP-UHFFFAOYSA-N 0 1 355.276 2.845 20 10 FFCDMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000134263247 728729326 /nfs/dbraw/zinc/72/93/26/728729326.db2.gz DAVGGZFDUOBNMB-YJBOKZPZSA-N 0 1 352.862 2.695 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cnc(C)s3)cc2F)CC1 ZINC000171520104 729006133 /nfs/dbraw/zinc/00/61/33/729006133.db2.gz QUFACWBRXVNJHF-UHFFFAOYSA-N 0 1 362.474 2.663 20 10 FFCDMN CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)ccn1 ZINC000856625237 730347538 /nfs/dbraw/zinc/34/75/38/730347538.db2.gz DMQYWTHKXIOYJJ-MRXNPFEDSA-N 0 1 361.467 2.594 20 10 FFCDMN CCOCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000857259466 730387953 /nfs/dbraw/zinc/38/79/53/730387953.db2.gz XMZMIXIYAUZVGI-UHFFFAOYSA-N 0 1 358.225 2.862 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@@]12CCCO2 ZINC000858156515 730418079 /nfs/dbraw/zinc/41/80/79/730418079.db2.gz JPHYLVQDMLKNJE-XHSDSOJGSA-N 0 1 356.260 2.971 20 10 FFCDMN FC(F)(F)[C@H](CNCc1ccc(N2CCOCC2)cc1)n1cccn1 ZINC000858209558 730419803 /nfs/dbraw/zinc/41/98/03/730419803.db2.gz OFOLFNJLKHAZHR-INIZCTEOSA-N 0 1 354.376 2.613 20 10 FFCDMN CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000858434658 730425668 /nfs/dbraw/zinc/42/56/68/730425668.db2.gz MIMXYIRFNQSCJF-QWHCGFSZSA-N 0 1 354.248 2.663 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000862239021 730680003 /nfs/dbraw/zinc/68/00/03/730680003.db2.gz RYLBYUDVBOZYNM-AWEZNQCLSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000862239021 730680004 /nfs/dbraw/zinc/68/00/04/730680004.db2.gz RYLBYUDVBOZYNM-AWEZNQCLSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000862251063 730681913 /nfs/dbraw/zinc/68/19/13/730681913.db2.gz ZSMHHCSFVXWRQL-CYBMUJFWSA-N 0 1 356.260 2.925 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)cn1 ZINC000862252786 730682758 /nfs/dbraw/zinc/68/27/58/730682758.db2.gz XGLNKTHDLWKMHC-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)cn1 ZINC000862252786 730682759 /nfs/dbraw/zinc/68/27/59/730682759.db2.gz XGLNKTHDLWKMHC-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN CN(C)C(=O)O[C@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862383276 730694930 /nfs/dbraw/zinc/69/49/30/730694930.db2.gz OVZZMXJXZIMOEM-NSHDSACASA-N 0 1 357.248 2.817 20 10 FFCDMN C[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000865532320 730966977 /nfs/dbraw/zinc/96/69/77/730966977.db2.gz YPQBETZLVAEDQZ-LBPRGKRZSA-N 0 1 367.902 2.904 20 10 FFCDMN CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000868357701 731285817 /nfs/dbraw/zinc/28/58/17/731285817.db2.gz DWVBUAFIYBPQMZ-GFCCVEGCSA-N 0 1 364.225 2.672 20 10 FFCDMN O=[S@@](CC[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000826866786 743458671 /nfs/dbraw/zinc/45/86/71/743458671.db2.gz DKGYVWHPYDADLL-IBGZPJMESA-N 0 1 360.195 2.555 20 10 FFCDMN CSc1cc(C)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000881854783 733120798 /nfs/dbraw/zinc/12/07/98/733120798.db2.gz KOTGDZILFZDCSA-UHFFFAOYSA-N 0 1 359.495 2.992 20 10 FFCDMN C[NH+](C)CCn1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000882967252 733316143 /nfs/dbraw/zinc/31/61/43/733316143.db2.gz ZTEZEYOIBLESDA-UHFFFAOYSA-N 0 1 357.227 2.664 20 10 FFCDMN COC(=O)c1cc(C[NH2+]Cc2c([O-])cccc2Br)n(C)c1C ZINC000883343209 733370798 /nfs/dbraw/zinc/37/07/98/733370798.db2.gz DOPSMSMMDAJOMD-UHFFFAOYSA-N 0 1 367.243 2.878 20 10 FFCDMN C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)CC(F)F ZINC000883757708 733433717 /nfs/dbraw/zinc/43/37/17/733433717.db2.gz URJWLTNNOSCURG-CQSZACIVSA-N 0 1 354.445 2.529 20 10 FFCDMN COC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708211626 734363025 /nfs/dbraw/zinc/36/30/25/734363025.db2.gz NNYGPRORWPRBFD-JTQLQIEISA-N 0 1 363.639 2.738 20 10 FFCDMN COC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708211626 734363029 /nfs/dbraw/zinc/36/30/29/734363029.db2.gz NNYGPRORWPRBFD-JTQLQIEISA-N 0 1 363.639 2.738 20 10 FFCDMN CC[C@H](C)NC(=S)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730156792 734618779 /nfs/dbraw/zinc/61/87/79/734618779.db2.gz NBQKTLLLNAYQRR-AWEZNQCLSA-N 0 1 352.523 2.730 20 10 FFCDMN CN1CCN(CCCNC(=O)C2=CC(=O)CS2)[C@H](c2ccccc2)C1 ZINC000731869863 734702043 /nfs/dbraw/zinc/70/20/43/734702043.db2.gz XMMBZODURVAVTA-KRWDZBQOSA-N 0 1 359.495 2.562 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@@H](C)O1 ZINC000731869066 734702136 /nfs/dbraw/zinc/70/21/36/734702136.db2.gz KALCWPXNPVYZFN-ZIAGYGMSSA-N 0 1 360.479 2.993 20 10 FFCDMN CCN(Cc1cc(Br)cc(F)c1O)[C@@H](C)CS(C)(=O)=O ZINC000894026600 734788487 /nfs/dbraw/zinc/78/84/87/734788487.db2.gz OGTMKPAGHYLTLT-VIFPVBQESA-N 0 1 368.268 2.549 20 10 FFCDMN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000894026600 734788488 /nfs/dbraw/zinc/78/84/88/734788488.db2.gz OGTMKPAGHYLTLT-VIFPVBQESA-N 0 1 368.268 2.549 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000894026600 734788490 /nfs/dbraw/zinc/78/84/90/734788490.db2.gz OGTMKPAGHYLTLT-VIFPVBQESA-N 0 1 368.268 2.549 20 10 FFCDMN CCN(Cc1cc(Br)cc(F)c1O)[C@H](C)CS(C)(=O)=O ZINC000894026599 734788542 /nfs/dbraw/zinc/78/85/42/734788542.db2.gz OGTMKPAGHYLTLT-SECBINFHSA-N 0 1 368.268 2.549 20 10 FFCDMN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000894026599 734788546 /nfs/dbraw/zinc/78/85/46/734788546.db2.gz OGTMKPAGHYLTLT-SECBINFHSA-N 0 1 368.268 2.549 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000894026599 734788548 /nfs/dbraw/zinc/78/85/48/734788548.db2.gz OGTMKPAGHYLTLT-SECBINFHSA-N 0 1 368.268 2.549 20 10 FFCDMN Oc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1F ZINC000894843017 734926211 /nfs/dbraw/zinc/92/62/11/734926211.db2.gz HGCYPGMJFPBZLZ-UHFFFAOYSA-N 0 1 352.356 2.936 20 10 FFCDMN O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])CC[C@@H]2N1 ZINC000895258127 734982365 /nfs/dbraw/zinc/98/23/65/734982365.db2.gz BPENHWJONXLBNX-RNCFNFMXSA-N 0 1 373.678 2.909 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677107 735039775 /nfs/dbraw/zinc/03/97/75/735039775.db2.gz HPCGACPDWNKUFQ-SECBINFHSA-N 0 1 364.108 2.803 20 10 FFCDMN OC[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)ccc2O)C1 ZINC000895842159 735063231 /nfs/dbraw/zinc/06/32/31/735063231.db2.gz BVQKRLPUGSNNAM-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755019896 736227060 /nfs/dbraw/zinc/22/70/60/736227060.db2.gz MJDAMXQHCJAUNJ-UHFFFAOYSA-N 0 1 364.379 2.921 20 10 FFCDMN COCCN(C)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756407856 736328624 /nfs/dbraw/zinc/32/86/24/736328624.db2.gz FWIVYKRYBIAQCZ-LLVKDONJSA-N 0 1 363.271 2.913 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(Br)cc1[O-] ZINC000756430402 736330802 /nfs/dbraw/zinc/33/08/02/736330802.db2.gz HFVSJPNZIBCTKV-NSHDSACASA-N 0 1 374.242 2.981 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C[C@H](C)CS(C)(=O)=O ZINC000757842408 736430538 /nfs/dbraw/zinc/43/05/38/736430538.db2.gz QRDDOTNDWGZNNB-NSHDSACASA-N 0 1 364.305 2.657 20 10 FFCDMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000762000680 736780999 /nfs/dbraw/zinc/78/09/99/736780999.db2.gz OIFNMZMNZISUCY-UHFFFAOYSA-N 0 1 365.407 2.767 20 10 FFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000763629550 736954711 /nfs/dbraw/zinc/95/47/11/736954711.db2.gz YEFQJCAFCUFQBU-UHFFFAOYSA-N 0 1 355.822 2.692 20 10 FFCDMN C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768077275 737396134 /nfs/dbraw/zinc/39/61/34/737396134.db2.gz GIARLXKCUPAHIZ-KBRIMQKVSA-N 0 1 366.889 2.799 20 10 FFCDMN CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000768342144 737414863 /nfs/dbraw/zinc/41/48/63/737414863.db2.gz PZSGCRUXRFSHNE-LJQANCHMSA-N 0 1 365.543 2.581 20 10 FFCDMN O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000769403551 737524896 /nfs/dbraw/zinc/52/48/96/737524896.db2.gz DKEHJUOVRFKSHL-CYBMUJFWSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000769403551 737524898 /nfs/dbraw/zinc/52/48/98/737524898.db2.gz DKEHJUOVRFKSHL-CYBMUJFWSA-N 0 1 367.287 2.989 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1O ZINC000776748776 738229273 /nfs/dbraw/zinc/22/92/73/738229273.db2.gz ZWUCNIYUAXVBCS-UHFFFAOYSA-N 0 1 354.771 2.589 20 10 FFCDMN COCCN(Cc1scnc1C)Cc1cc(OC)c(OC)cc1O ZINC000787311133 739125861 /nfs/dbraw/zinc/12/58/61/739125861.db2.gz SFWHOGMBAJZAEO-UHFFFAOYSA-N 0 1 352.456 2.823 20 10 FFCDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270273 739226105 /nfs/dbraw/zinc/22/61/05/739226105.db2.gz QTAHOWZKDSDAGT-XVKPBYJWSA-N 0 1 365.065 2.872 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000790410042 739449800 /nfs/dbraw/zinc/44/98/00/739449800.db2.gz YXEILDLIXGGPQV-UHFFFAOYSA-N 0 1 352.368 2.808 20 10 FFCDMN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2OCC)c1 ZINC000790409923 739449835 /nfs/dbraw/zinc/44/98/35/739449835.db2.gz WYFBSSQHWIVXBL-UHFFFAOYSA-N 0 1 365.407 2.768 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000790929755 739515216 /nfs/dbraw/zinc/51/52/16/739515216.db2.gz BFILJJFVMUQXGX-GFCCVEGCSA-N 0 1 356.260 2.925 20 10 FFCDMN O=C(N1CCCCC1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792156397 739644143 /nfs/dbraw/zinc/64/41/43/739644143.db2.gz CDDKLMVKBPPVKO-UHFFFAOYSA-N 0 1 355.841 2.908 20 10 FFCDMN CN(C)c1ccc(CN2CCC3(COC(=O)N3)CC2)c(C(F)(F)F)c1 ZINC000793073752 739737176 /nfs/dbraw/zinc/73/71/76/739737176.db2.gz KQWLEBHODLHCRM-UHFFFAOYSA-N 0 1 357.376 2.846 20 10 FFCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1[O-] ZINC000794826983 739933798 /nfs/dbraw/zinc/93/37/98/739933798.db2.gz FEXMLWSBVYVQGK-JTQLQIEISA-N 0 1 362.289 2.773 20 10 FFCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799124625 740389533 /nfs/dbraw/zinc/38/95/33/740389533.db2.gz YNADCFLQLFYYPJ-UHFFFAOYSA-N 0 1 372.855 2.667 20 10 FFCDMN O=C(NCc1ccc(O)c(O)c1)c1cc(Br)cc2nc[nH]c21 ZINC000800519699 740531159 /nfs/dbraw/zinc/53/11/59/740531159.db2.gz UJSATLPJTRZACB-UHFFFAOYSA-N 0 1 362.183 2.667 20 10 FFCDMN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519564 740531219 /nfs/dbraw/zinc/53/12/19/740531219.db2.gz RTRPVQAPIJCYQO-URLYELCFSA-N 0 1 366.889 2.940 20 10 FFCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCC2 ZINC000805092247 740937481 /nfs/dbraw/zinc/93/74/81/740937481.db2.gz XXTCZOKOCRXNJT-QMMMGPOBSA-N 0 1 370.240 2.797 20 10 FFCDMN CCO[C@H]1COCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805280598 740956372 /nfs/dbraw/zinc/95/63/72/740956372.db2.gz KSPRJMJCZRGLAU-OLZOCXBDSA-N 0 1 363.241 2.692 20 10 FFCDMN C[S@@](=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805435984 740971271 /nfs/dbraw/zinc/97/12/71/740971271.db2.gz STJBONGUUKWCGW-JOCHJYFZSA-N 0 1 365.282 2.799 20 10 FFCDMN C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000806178884 741045691 /nfs/dbraw/zinc/04/56/91/741045691.db2.gz KLSHRNAFQIUCMI-WCQYABFASA-N 0 1 351.244 2.976 20 10 FFCDMN COC(=O)c1cncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807840593 741163325 /nfs/dbraw/zinc/16/33/25/741163325.db2.gz FOZHPKKSWHRGIT-UHFFFAOYSA-N 0 1 355.177 2.811 20 10 FFCDMN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc2o1 ZINC000808115475 741188593 /nfs/dbraw/zinc/18/85/93/741188593.db2.gz FXXCCYWTYHIRRG-UHFFFAOYSA-N 0 1 358.734 2.832 20 10 FFCDMN CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209779 741398216 /nfs/dbraw/zinc/39/82/16/741398216.db2.gz VRUSDTWDIRQXRT-ZDUSSCGKSA-N 0 1 360.376 2.734 20 10 FFCDMN CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810244093 741400673 /nfs/dbraw/zinc/40/06/73/741400673.db2.gz OOTNVSNMQWLRKI-CQSZACIVSA-N 0 1 358.364 2.626 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000815167139 741908304 /nfs/dbraw/zinc/90/83/04/741908304.db2.gz SDJBVPAMKAWNHQ-FVQBIDKESA-N 0 1 366.259 2.860 20 10 FFCDMN [O-]c1c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)ccc2ccccc21 ZINC000816537559 742040145 /nfs/dbraw/zinc/04/01/45/742040145.db2.gz JACDEULIGOPNPU-HXUWFJFHSA-N 0 1 358.507 2.843 20 10 FFCDMN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000818349848 742266150 /nfs/dbraw/zinc/26/61/50/742266150.db2.gz IFUYTBIHPVNZBL-SNVBAGLBSA-N 0 1 350.278 2.630 20 10 FFCDMN CC(C)OCCN1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824851292 743164175 /nfs/dbraw/zinc/16/41/75/743164175.db2.gz YSHLAIYPTZWZDL-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124876 743214129 /nfs/dbraw/zinc/21/41/29/743214129.db2.gz ZZOUDRCZUDBZMJ-JMCQJSRRSA-N 0 1 354.712 2.699 20 10 FFCDMN Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825297979 743244285 /nfs/dbraw/zinc/24/42/85/743244285.db2.gz RILZCTYYUAZYPX-UHFFFAOYSA-N 0 1 367.243 2.966 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@]12CCCO2 ZINC000825514652 743285935 /nfs/dbraw/zinc/28/59/35/743285935.db2.gz REXXLCJJHXIWMB-OAGGEKHMSA-N 0 1 356.260 2.971 20 10 FFCDMN C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1[O-] ZINC000825726566 743318735 /nfs/dbraw/zinc/31/87/35/743318735.db2.gz SDYPZPKFRIHABV-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1[O-] ZINC000825726566 743318743 /nfs/dbraw/zinc/31/87/43/743318743.db2.gz SDYPZPKFRIHABV-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310535 743552818 /nfs/dbraw/zinc/55/28/18/743552818.db2.gz PKRBHWAWGQQVCV-LQTRPERUSA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310535 743552823 /nfs/dbraw/zinc/55/28/23/743552823.db2.gz PKRBHWAWGQQVCV-LQTRPERUSA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310535 743552828 /nfs/dbraw/zinc/55/28/28/743552828.db2.gz PKRBHWAWGQQVCV-LQTRPERUSA-N 0 1 364.873 2.719 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827681800 744959572 /nfs/dbraw/zinc/95/95/72/744959572.db2.gz ZDNHYNSARCSDGG-LLVKDONJSA-N 0 1 355.822 2.690 20 10 FFCDMN C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849712 744990035 /nfs/dbraw/zinc/99/00/35/744990035.db2.gz IRBKVXLHHOQOHD-SKDRFNHKSA-N 0 1 350.768 2.935 20 10 FFCDMN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834913946 745923449 /nfs/dbraw/zinc/92/34/49/745923449.db2.gz JORVFAJHUPEOPA-VHRBIJSZSA-N 0 1 353.260 2.959 20 10 FFCDMN C[C@H](Cc1cnn(C)c1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836631671 746272721 /nfs/dbraw/zinc/27/27/21/746272721.db2.gz FHXVYLPTPLYBAT-SECBINFHSA-N 0 1 357.241 2.863 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937096 747234483 /nfs/dbraw/zinc/23/44/83/747234483.db2.gz HAXXLRLOZRVFRT-JTQLQIEISA-N 0 1 350.768 2.854 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937096 747234487 /nfs/dbraw/zinc/23/44/87/747234487.db2.gz HAXXLRLOZRVFRT-JTQLQIEISA-N 0 1 350.768 2.854 20 10 FFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433183 747836565 /nfs/dbraw/zinc/83/65/65/747836565.db2.gz WAJQZYJFRJTUHE-CYBMUJFWSA-N 0 1 354.731 2.685 20 10 FFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843433123 747837000 /nfs/dbraw/zinc/83/70/00/747837000.db2.gz UIWQDNWHMFQPAV-AWEZNQCLSA-N 0 1 350.768 2.854 20 10 FFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843433123 747837004 /nfs/dbraw/zinc/83/70/04/747837004.db2.gz UIWQDNWHMFQPAV-AWEZNQCLSA-N 0 1 350.768 2.854 20 10 FFCDMN CCC[C@H](C)S(=O)(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000845851561 748337637 /nfs/dbraw/zinc/33/76/37/748337637.db2.gz GQMGPAXWBBKWIA-HNNXBMFYSA-N 0 1 371.522 2.576 20 10 FFCDMN COCc1nc(CNCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000850361089 749352064 /nfs/dbraw/zinc/35/20/64/749352064.db2.gz UFGLEOAKCGLHSW-UHFFFAOYSA-N 0 1 357.483 2.939 20 10 FFCDMN OC1CCN(c2ccc(CNCc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000850406331 749360571 /nfs/dbraw/zinc/36/05/71/749360571.db2.gz BVWFAEDYOHEPJP-UHFFFAOYSA-N 0 1 354.376 2.679 20 10 FFCDMN COC(=O)[C@H]1CN(Cc2ccc(OC)c(OC)c2O)Cc2ccccc21 ZINC000895660409 970818333 /nfs/dbraw/zinc/81/83/33/970818333.db2.gz QPIFBKAPRDUPCE-INIZCTEOSA-N 0 1 357.406 2.682 20 10 FFCDMN CC(C)=CCN1C[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275838403 1013062868 /nfs/dbraw/zinc/06/28/68/1013062868.db2.gz WYTSNHMGDUBIAE-LJQANCHMSA-N 0 1 364.873 2.815 20 10 FFCDMN CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275838403 1013062882 /nfs/dbraw/zinc/06/28/82/1013062882.db2.gz WYTSNHMGDUBIAE-LJQANCHMSA-N 0 1 364.873 2.815 20 10 FFCDMN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001275838489 1013063456 /nfs/dbraw/zinc/06/34/56/1013063456.db2.gz YNUZPKCCJDRPMA-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275838489 1013063465 /nfs/dbraw/zinc/06/34/65/1013063465.db2.gz YNUZPKCCJDRPMA-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275838489 1013063471 /nfs/dbraw/zinc/06/34/71/1013063471.db2.gz YNUZPKCCJDRPMA-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN COc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1Cn1cccn1 ZINC000871874770 1013096472 /nfs/dbraw/zinc/09/64/72/1013096472.db2.gz VIOMSYCIEBOFKV-LBPRGKRZSA-N 0 1 372.450 2.946 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn[nH]c2)C1 ZINC000683482307 960772466 /nfs/dbraw/zinc/77/24/66/960772466.db2.gz GJMBBYPXAUKZBI-UHFFFAOYSA-N 0 1 365.481 2.790 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)CC2CC2)C1 ZINC000683498536 960793836 /nfs/dbraw/zinc/79/38/36/960793836.db2.gz NAHGJGCPUHVRIP-QGZVFWFLSA-N 0 1 369.509 2.685 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956875 1013227629 /nfs/dbraw/zinc/22/76/29/1013227629.db2.gz MWVWXTVKUGAKKC-HXPMCKFVSA-N 0 1 366.408 2.605 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956875 1013227638 /nfs/dbraw/zinc/22/76/38/1013227638.db2.gz MWVWXTVKUGAKKC-HXPMCKFVSA-N 0 1 366.408 2.605 20 10 FFCDMN CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C 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COc1ccc(CN2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)c([O-])c1Cl ZINC001279664811 1043427319 /nfs/dbraw/zinc/42/73/19/1043427319.db2.gz DVIMIITZYHDLQA-IYBDPMFKSA-N 0 1 366.889 2.882 20 10 FFCDMN CC(C)NC(=O)N1CCO[C@H]2CN(Cc3ccc(C(C)C)cc3O)C[C@H]21 ZINC001279674173 1043445046 /nfs/dbraw/zinc/44/50/46/1043445046.db2.gz SBLWHMGQRMCUBV-MJGOQNOKSA-N 0 1 361.486 2.519 20 10 FFCDMN COCCOCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697684 1043488221 /nfs/dbraw/zinc/48/82/21/1043488221.db2.gz RIYZBSOVMQNPCC-LJQANCHMSA-N 0 1 370.440 2.579 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC001311935940 1044005228 /nfs/dbraw/zinc/00/52/28/1044005228.db2.gz UATVDLLBNIBQIT-MRXNPFEDSA-N 0 1 350.482 2.908 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1F ZINC001311935939 1044005345 /nfs/dbraw/zinc/00/53/45/1044005345.db2.gz UATVDLLBNIBQIT-INIZCTEOSA-N 0 1 350.482 2.908 20 10 FFCDMN COc1cccc(CN2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)c1O ZINC001279977460 1044024550 /nfs/dbraw/zinc/02/45/50/1044024550.db2.gz MTHULNADCQHYKG-DRUAIGIBSA-N 0 1 362.445 2.762 20 10 FFCDMN COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001279983421 1044033731 /nfs/dbraw/zinc/03/37/31/1044033731.db2.gz KEXJZQZDQTWYNI-ZSBFGKGUSA-N 0 1 366.889 2.608 20 10 FFCDMN COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001279983421 1044033748 /nfs/dbraw/zinc/03/37/48/1044033748.db2.gz KEXJZQZDQTWYNI-ZSBFGKGUSA-N 0 1 366.889 2.608 20 10 FFCDMN COc1ccc(O)c(CN2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c1 ZINC001279984894 1044038256 /nfs/dbraw/zinc/03/82/56/1044038256.db2.gz TVPGUTPKWATTHX-OAHLLOKOSA-N 0 1 364.511 2.623 20 10 FFCDMN O=C(Nc1nnco1)[C@H]1CCC[C@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001280006484 1044076402 /nfs/dbraw/zinc/07/64/02/1044076402.db2.gz DWMNIGHUQMLXJM-FZKQIMNGSA-N 0 1 360.389 2.545 20 10 FFCDMN O=C(NCc1cccc(Br)c1O)c1ccn(-c2ccncc2)n1 ZINC001320824294 1045475454 /nfs/dbraw/zinc/47/54/54/1045475454.db2.gz GNVWSSMJMPYVKM-UHFFFAOYSA-N 0 1 373.210 2.665 20 10 FFCDMN CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c(O)c1 ZINC001323578397 1045647495 /nfs/dbraw/zinc/64/74/95/1045647495.db2.gz UGMMWEWNURZNTC-HNNXBMFYSA-N 0 1 358.442 2.852 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)N3CCN(C(C)(C)C)CC3)C2)cc1 ZINC001328048155 1048155686 /nfs/dbraw/zinc/15/56/86/1048155686.db2.gz XZYNVKOCUSCKCZ-QGZVFWFLSA-N 0 1 374.529 2.647 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2F)CC1 ZINC000735487258 1048591486 /nfs/dbraw/zinc/59/14/86/1048591486.db2.gz FSNLRKIEENQGCC-UHFFFAOYSA-N 0 1 359.405 2.883 20 10 FFCDMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001330213872 1049085245 /nfs/dbraw/zinc/08/52/45/1049085245.db2.gz LAZKGOKLVQMWBQ-ROUUACIJSA-N 0 1 368.481 2.711 20 10 FFCDMN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001295079459 1049873417 /nfs/dbraw/zinc/87/34/17/1049873417.db2.gz ZNYKXQHUSDJNAI-CVEARBPZSA-N 0 1 354.450 2.762 20 10 FFCDMN O=C(c1ccc(F)cc1F)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC001308592125 1052474461 /nfs/dbraw/zinc/47/44/61/1052474461.db2.gz PNVLPSVGJQJCAW-UHFFFAOYSA-N 0 1 368.330 2.907 20 10 FFCDMN CCc1cccc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1O ZINC000848898517 1055326223 /nfs/dbraw/zinc/32/62/23/1055326223.db2.gz DNDZFGDUBVXVOH-AWEZNQCLSA-N 0 1 356.430 3.000 20 10 FFCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC001353594619 1056564429 /nfs/dbraw/zinc/56/44/29/1056564429.db2.gz RLMUMHWAZCEMCG-NSHDSACASA-N 0 1 357.639 2.847 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccn3)cc2F)CC1 ZINC001443593431 1058221565 /nfs/dbraw/zinc/22/15/65/1058221565.db2.gz TYNOAADFOVKMQU-MRXNPFEDSA-N 0 1 370.472 2.783 20 10 FFCDMN CNc1nccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC001450721919 1059044806 /nfs/dbraw/zinc/04/48/06/1059044806.db2.gz OLSLQAXHMMOFLG-UHFFFAOYSA-N 0 1 371.180 2.974 20 10 FFCDMN CCCC(O)(CCC)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001455225742 1059732757 /nfs/dbraw/zinc/73/27/57/1059732757.db2.gz NWPSUYOXWQRKSN-UHFFFAOYSA-N 0 1 361.530 2.776 20 10 FFCDMN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001355035164 1059801193 /nfs/dbraw/zinc/80/11/93/1059801193.db2.gz KRXZJPIOSVQRQX-INIZCTEOSA-N 0 1 355.486 2.536 20 10 FFCDMN CC(C)n1nnnc1-c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001457959244 1060481474 /nfs/dbraw/zinc/48/14/74/1060481474.db2.gz QFNAJVBJJQBXPI-UHFFFAOYSA-N 0 1 357.345 2.724 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)c3coc([C@@H]4CCCN4)n3)CC2)cc1 ZINC001521470528 1060607990 /nfs/dbraw/zinc/60/79/90/1060607990.db2.gz QCDKAXOAFKVWPO-KRWDZBQOSA-N 0 1 370.453 2.507 20 10 FFCDMN COCc1nccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001476870182 1061496319 /nfs/dbraw/zinc/49/63/19/1061496319.db2.gz HGBYBDYZGOKBOD-UHFFFAOYSA-N 0 1 357.197 2.957 20 10 FFCDMN COc1ccc(C)cc1CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001462466185 1061634261 /nfs/dbraw/zinc/63/42/61/1061634261.db2.gz ITKCGFJVUNGQJN-UHFFFAOYSA-N 0 1 367.493 2.614 20 10 FFCDMN COc1ccccc1[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCCC1 ZINC001463575875 1062166490 /nfs/dbraw/zinc/16/64/90/1062166490.db2.gz TXZADBXGORUNJO-KRWDZBQOSA-N 0 1 370.449 2.602 20 10 FFCDMN CC(C)(C)OCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001463825977 1062283501 /nfs/dbraw/zinc/28/35/01/1062283501.db2.gz NVBWWMYAZOQWGT-UHFFFAOYSA-N 0 1 356.271 2.934 20 10 FFCDMN CC1(C)CC[N@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001479555291 1062529843 /nfs/dbraw/zinc/52/98/43/1062529843.db2.gz PZJYGUMEGYIFGO-UHFFFAOYSA-N 0 1 370.291 2.686 20 10 FFCDMN CC1(C)CC[N@@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001479555291 1062529861 /nfs/dbraw/zinc/52/98/61/1062529861.db2.gz PZJYGUMEGYIFGO-UHFFFAOYSA-N 0 1 370.291 2.686 20 10 FFCDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(O)c1 ZINC001464305829 1062538913 /nfs/dbraw/zinc/53/89/13/1062538913.db2.gz ACGMJUQPGUPZMY-UHFFFAOYSA-N 0 1 364.804 2.951 20 10 FFCDMN C[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001533684683 1063373123 /nfs/dbraw/zinc/37/31/23/1063373123.db2.gz SGDYZIUOTLISAH-QGZVFWFLSA-N 0 1 359.514 2.792 20 10 FFCDMN COc1ccc(N2CC[C@@H](CNC(=O)c3[nH]nc4c3C[C@H](C)CC4)C2)cc1 ZINC001469282328 1064121033 /nfs/dbraw/zinc/12/10/33/1064121033.db2.gz QANCPUATJHWMHL-CABCVRRESA-N 0 1 368.481 2.799 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@@H](Cc2c[nH]nn2)c2ccccc2)cc1 ZINC001577730043 1078391983 /nfs/dbraw/zinc/39/19/83/1078391983.db2.gz ATQVXTWLOCXKJW-INIZCTEOSA-N 0 1 363.381 2.681 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@@H](Cc2cnn[nH]2)c2ccccc2)cc1 ZINC001577730043 1078391986 /nfs/dbraw/zinc/39/19/86/1078391986.db2.gz ATQVXTWLOCXKJW-INIZCTEOSA-N 0 1 363.381 2.681 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c(C(F)(F)F)c2C)cc1 ZINC001583621533 1079242174 /nfs/dbraw/zinc/24/21/74/1079242174.db2.gz ISTXLMRHSAKXQW-UHFFFAOYSA-N 0 1 370.375 2.954 20 10 FFCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1cccc(F)c1[N+](=O)[O-] ZINC001556516017 1075748989 /nfs/dbraw/zinc/74/89/89/1075748989.db2.gz WMGXPINDZDWKEH-UHFFFAOYSA-N 0 1 353.346 2.784 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001556883780 1075785187 /nfs/dbraw/zinc/78/51/87/1075785187.db2.gz BSBLQTUIVVARJF-AWEZNQCLSA-N 0 1 366.204 2.903 20 10 FFCDMN C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001563516432 1076562467 /nfs/dbraw/zinc/56/24/67/1076562467.db2.gz OZPOEIKKLCQFMS-GOSISDBHSA-N 0 1 362.543 2.523 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000377089981 512118741 /nfs/dbraw/zinc/11/87/41/512118741.db2.gz PLGDZHBXYAFGOI-UQPYNNQESA-N 0 1 358.221 2.557 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373511877 512370847 /nfs/dbraw/zinc/37/08/47/512370847.db2.gz DGUWDBKZVRLMDW-HXUWFJFHSA-N 0 1 354.381 2.830 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373511877 512370850 /nfs/dbraw/zinc/37/08/50/512370850.db2.gz DGUWDBKZVRLMDW-HXUWFJFHSA-N 0 1 354.381 2.830 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC1CCOCC1 ZINC000377639385 512371505 /nfs/dbraw/zinc/37/15/05/512371505.db2.gz CTSRNHWPXPAVJB-HNNXBMFYSA-N 0 1 368.861 2.915 20 10 FFCDMN C[C@H](C(=O)N1CCCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153363496 508575948 /nfs/dbraw/zinc/57/59/48/508575948.db2.gz BBPICZNHCLYXOI-GOSISDBHSA-N 0 1 359.514 2.746 20 10 FFCDMN C[C@@H](C1CC1)N(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154091087 508715741 /nfs/dbraw/zinc/71/57/41/508715741.db2.gz QYXBFZVDGUKVHZ-KRWDZBQOSA-N 0 1 371.525 2.745 20 10 FFCDMN O=C(Nc1nncs1)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000377720988 512418355 /nfs/dbraw/zinc/41/83/55/512418355.db2.gz SEKBDXRWGUJRHG-UHFFFAOYSA-N 0 1 352.847 2.748 20 10 FFCDMN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186029498 509488554 /nfs/dbraw/zinc/48/85/54/509488554.db2.gz KLTHZWPEZMNBHV-NXEZZACHSA-N 0 1 350.278 2.629 20 10 FFCDMN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccc1OCC(N)=O ZINC000185204610 510746364 /nfs/dbraw/zinc/74/63/64/510746364.db2.gz UFMQGGRIYCSAIH-NSHDSACASA-N 0 1 364.829 2.769 20 10 FFCDMN C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000172675801 510842657 /nfs/dbraw/zinc/84/26/57/510842657.db2.gz CRPZLJAQSYYETH-QGZVFWFLSA-N 0 1 353.466 2.982 20 10 FFCDMN CN(Cc1nnc[nH]1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000297332149 510906549 /nfs/dbraw/zinc/90/65/49/510906549.db2.gz SURGWEHMWFHSTP-UHFFFAOYSA-N 0 1 356.474 2.915 20 10 FFCDMN CCN1CCN(c2ccccc2NC(=O)NCc2ccccc2O)CC1 ZINC000299463047 511645568 /nfs/dbraw/zinc/64/55/68/511645568.db2.gz CNYTZRHBOJJBGD-UHFFFAOYSA-N 0 1 354.454 2.856 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@H](Oc3ncccc3F)C2)cc1OC ZINC000365835664 511677793 /nfs/dbraw/zinc/67/77/93/511677793.db2.gz UVXUBNFITQQUTF-AWEZNQCLSA-N 0 1 362.401 2.987 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000301160636 511689684 /nfs/dbraw/zinc/68/96/84/511689684.db2.gz AJQHJRVQPLLBGE-UHFFFAOYSA-N 0 1 359.405 2.883 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000368211231 512847314 /nfs/dbraw/zinc/84/73/14/512847314.db2.gz COQQDUXYETZMLM-KUHUBIRLSA-N 0 1 354.450 2.976 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000527152163 517529064 /nfs/dbraw/zinc/52/90/64/517529064.db2.gz PBJCALFOYXVMBC-QGZVFWFLSA-N 0 1 372.513 2.643 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccno2)C1 ZINC000568171085 518905552 /nfs/dbraw/zinc/90/55/52/518905552.db2.gz XFQGLDVEFAJQIX-UHFFFAOYSA-N 0 1 352.438 2.712 20 10 FFCDMN COC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737752727 600573829 /nfs/dbraw/zinc/57/38/29/600573829.db2.gz XHESFUXBAAVAQB-MRXNPFEDSA-N 0 1 370.449 2.943 20 10 FFCDMN C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694065 604675016 /nfs/dbraw/zinc/67/50/16/604675016.db2.gz ICRLSCKHENMDJF-INIZCTEOSA-N 0 1 369.295 2.796 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC000833695566 605830848 /nfs/dbraw/zinc/83/08/48/605830848.db2.gz RLOKVQNDUHSLKJ-UHFFFAOYSA-N 0 1 358.413 2.993 20 10 FFCDMN COc1cc(Br)cc(CN2CCC[C@H](CNC(C)=O)C2)c1O ZINC000155541337 728831419 /nfs/dbraw/zinc/83/14/19/728831419.db2.gz RBTBFHXWNBLWPM-GFCCVEGCSA-N 0 1 371.275 2.511 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000897948121 735296229 /nfs/dbraw/zinc/29/62/29/735296229.db2.gz KDSQMXALQNUAPU-SJKOYZFVSA-N 0 1 364.239 2.987 20 10 FFCDMN CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000898399684 735355948 /nfs/dbraw/zinc/35/59/48/735355948.db2.gz SUWDTYSAJQSGRC-HSZRJFAPSA-N 0 1 359.923 2.832 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CN1CCOCC1 ZINC000091588029 728460454 /nfs/dbraw/zinc/46/04/54/728460454.db2.gz KFLFLDYEJGRIAO-CYBMUJFWSA-N 0 1 357.292 2.697 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CN1CCOCC1 ZINC000091588029 728460455 /nfs/dbraw/zinc/46/04/55/728460455.db2.gz KFLFLDYEJGRIAO-CYBMUJFWSA-N 0 1 357.292 2.697 20 10 FFCDMN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000092510379 728468164 /nfs/dbraw/zinc/46/81/64/728468164.db2.gz XHXQFRIPHHBIOH-AWEZNQCLSA-N 0 1 355.276 2.988 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017721 728473351 /nfs/dbraw/zinc/47/33/51/728473351.db2.gz CWQPGLAZEXQEPH-AWEZNQCLSA-N 0 1 369.303 2.699 20 10 FFCDMN CNC(=O)CC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093587824 728476739 /nfs/dbraw/zinc/47/67/39/728476739.db2.gz KIRJELWBGWUULN-UHFFFAOYSA-N 0 1 371.275 2.511 20 10 FFCDMN CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])N1CCN(C)CC1 ZINC000098039229 728484154 /nfs/dbraw/zinc/48/41/54/728484154.db2.gz CIIAHEPRDHAPOG-MRXNPFEDSA-N 0 1 370.335 2.516 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000105387635 728505396 /nfs/dbraw/zinc/50/53/96/728505396.db2.gz PGYKTUMSGUHDDE-UHFFFAOYSA-N 0 1 372.443 2.697 20 10 FFCDMN CS(=O)(=O)c1ccc(OCC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113338789 728554132 /nfs/dbraw/zinc/55/41/32/728554132.db2.gz ZQAIOBVCOINXFV-UHFFFAOYSA-N 0 1 355.843 2.618 20 10 FFCDMN CCS(=O)(=O)NCCN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000119278396 728590933 /nfs/dbraw/zinc/59/09/33/728590933.db2.gz MOMJOYKDRITKAK-MRXNPFEDSA-N 0 1 362.495 2.895 20 10 FFCDMN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000122093621 728643906 /nfs/dbraw/zinc/64/39/06/728643906.db2.gz MEXWRCJGAAITSH-UHFFFAOYSA-N 0 1 363.801 2.831 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCOCC1 ZINC000124480461 728671082 /nfs/dbraw/zinc/67/10/82/728671082.db2.gz JLPITLVCYDUYSR-GFCCVEGCSA-N 0 1 373.280 2.770 20 10 FFCDMN COCCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000127260023 728705896 /nfs/dbraw/zinc/70/58/96/728705896.db2.gz WVTNRNVIBRMABG-INIZCTEOSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000134647160 728731769 /nfs/dbraw/zinc/73/17/69/728731769.db2.gz KYSHPMRGXHSPDY-MRXNPFEDSA-N 0 1 356.495 2.699 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000182198996 729271745 /nfs/dbraw/zinc/27/17/45/729271745.db2.gz RMRFFOIQAVUXHN-NSHDSACASA-N 0 1 365.426 2.988 20 10 FFCDMN CC(C)CN1CCN(Cc2cccc(Br)c2O)[C@@H](C)C1=O ZINC000779202331 738443017 /nfs/dbraw/zinc/44/30/17/738443017.db2.gz NXUYXEIVENZZRU-LBPRGKRZSA-N 0 1 355.276 2.843 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000856595954 730346953 /nfs/dbraw/zinc/34/69/53/730346953.db2.gz NUUUHJMRZNYOAN-QGZVFWFLSA-N 0 1 351.834 2.561 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000856595954 730346955 /nfs/dbraw/zinc/34/69/55/730346955.db2.gz NUUUHJMRZNYOAN-QGZVFWFLSA-N 0 1 351.834 2.561 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000858151108 730417920 /nfs/dbraw/zinc/41/79/20/730417920.db2.gz TXCOUPFAHPMSTJ-GFCCVEGCSA-N 0 1 356.260 2.973 20 10 FFCDMN COc1ccc(CNCc2cc(Br)cnc2OC)c(O)c1 ZINC000858248912 730420821 /nfs/dbraw/zinc/42/08/21/730420821.db2.gz FNOXFFJKHXUQSJ-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000858602681 730429718 /nfs/dbraw/zinc/42/97/18/730429718.db2.gz GIFZPKFMFCYNFU-YGRLFVJLSA-N 0 1 353.260 2.959 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000862251064 730681906 /nfs/dbraw/zinc/68/19/06/730681906.db2.gz ZSMHHCSFVXWRQL-ZDUSSCGKSA-N 0 1 356.260 2.925 20 10 FFCDMN CN(C)C(=O)OC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862378378 730694525 /nfs/dbraw/zinc/69/45/25/730694525.db2.gz SMUBBJQIHGDGRQ-UHFFFAOYSA-N 0 1 357.248 2.817 20 10 FFCDMN CN(C)C(=O)OC1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862378378 730694526 /nfs/dbraw/zinc/69/45/26/730694526.db2.gz SMUBBJQIHGDGRQ-UHFFFAOYSA-N 0 1 357.248 2.817 20 10 FFCDMN Cc1cc(CNC(=O)CSc2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000863166090 730753463 /nfs/dbraw/zinc/75/34/63/730753463.db2.gz SRTFASDOFOMWHA-UHFFFAOYSA-N 0 1 355.467 2.929 20 10 FFCDMN Cc1n[nH]c(SCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000863166090 730753465 /nfs/dbraw/zinc/75/34/65/730753465.db2.gz SRTFASDOFOMWHA-UHFFFAOYSA-N 0 1 355.467 2.929 20 10 FFCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865465913 730958981 /nfs/dbraw/zinc/95/89/81/730958981.db2.gz LGRNMJVBDZQFMD-UHFFFAOYSA-N 0 1 367.902 2.652 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048115 732001474 /nfs/dbraw/zinc/00/14/74/732001474.db2.gz KEEOTEDDCNGVLZ-PWSUYJOCSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048115 732001475 /nfs/dbraw/zinc/00/14/75/732001475.db2.gz KEEOTEDDCNGVLZ-PWSUYJOCSA-N 0 1 367.808 2.609 20 10 FFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876545100 732255559 /nfs/dbraw/zinc/25/55/59/732255559.db2.gz AFHZVOXNWCOMNU-JTQLQIEISA-N 0 1 356.394 2.511 20 10 FFCDMN Brc1cnc2c(CNCc3ccc4c(c3)CCO4)cnn2c1 ZINC000876996664 732309253 /nfs/dbraw/zinc/30/92/53/732309253.db2.gz YQROSIDXTCQFRN-UHFFFAOYSA-N 0 1 359.227 2.717 20 10 FFCDMN CC1(C)OC[C@@H]([C@@H]2CN(Cc3cccc(Br)c3O)CCO2)O1 ZINC000877784128 732430044 /nfs/dbraw/zinc/43/00/44/732430044.db2.gz AYEIIKWLYDBQCO-KBPBESRZSA-N 0 1 372.259 2.507 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000781911923 738671603 /nfs/dbraw/zinc/67/16/03/738671603.db2.gz UZKDVNYSORNFHQ-WFASDCNBSA-N 0 1 367.287 2.954 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CCC3)cc2)CC1 ZINC000881853090 733120713 /nfs/dbraw/zinc/12/07/13/733120713.db2.gz IYWWZYAIQPWHPB-UHFFFAOYSA-N 0 1 355.404 2.787 20 10 FFCDMN CSc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000882996573 733319356 /nfs/dbraw/zinc/31/93/56/733319356.db2.gz XKDLSAMBDLNTBG-UHFFFAOYSA-N 0 1 366.508 2.526 20 10 FFCDMN CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883112490 733335978 /nfs/dbraw/zinc/33/59/78/733335978.db2.gz NQECGHHVQJIYPP-UHFFFAOYSA-N 0 1 357.227 2.930 20 10 FFCDMN O=C(NCCOC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000927504839 738743637 /nfs/dbraw/zinc/74/36/37/738743637.db2.gz VPZARAUIRVHVFE-UHFFFAOYSA-N 0 1 363.241 2.694 20 10 FFCDMN O=C(NCc1noc2c1COCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000927886107 738792795 /nfs/dbraw/zinc/79/27/95/738792795.db2.gz LIGHVVOYXDLRAQ-UHFFFAOYSA-N 0 1 372.208 2.759 20 10 FFCDMN CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000892493533 734565551 /nfs/dbraw/zinc/56/55/51/734565551.db2.gz LTCZHKYZAQDXPK-LBPRGKRZSA-N 0 1 370.291 2.732 20 10 FFCDMN COc1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1OC ZINC000893641297 734731222 /nfs/dbraw/zinc/73/12/22/734731222.db2.gz TZGDWSJSRAXJIC-INIZCTEOSA-N 0 1 363.376 2.935 20 10 FFCDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893865141 734764007 /nfs/dbraw/zinc/76/40/07/734764007.db2.gz HYKBRJLCLBGKQZ-NSHDSACASA-N 0 1 359.239 2.642 20 10 FFCDMN CC(C)C(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893903374 734770076 /nfs/dbraw/zinc/77/00/76/734770076.db2.gz RDJADJPHTZYHDM-UHFFFAOYSA-N 0 1 359.239 2.594 20 10 FFCDMN COc1ccc(O)c(CNC(=O)c2cccc(Br)c2O)c1 ZINC000734015499 734867390 /nfs/dbraw/zinc/86/73/90/734867390.db2.gz OSSAPVDCYMIUHH-UHFFFAOYSA-N 0 1 352.184 2.799 20 10 FFCDMN Cc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cnc1F ZINC000894844065 734926456 /nfs/dbraw/zinc/92/64/56/734926456.db2.gz WFMPOEOBHVZSSB-UHFFFAOYSA-N 0 1 351.372 2.934 20 10 FFCDMN COC(=O)[C@@H](CC1CCOCC1)NCc1cccc(Br)c1O ZINC000895592718 735028968 /nfs/dbraw/zinc/02/89/68/735028968.db2.gz WPMUZSGMXLFSBB-CQSZACIVSA-N 0 1 372.259 2.603 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836699 735062307 /nfs/dbraw/zinc/06/23/07/735062307.db2.gz FOTXEOFRBVTIPJ-LBPRGKRZSA-N 0 1 354.166 2.901 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836699 735062310 /nfs/dbraw/zinc/06/23/10/735062310.db2.gz FOTXEOFRBVTIPJ-LBPRGKRZSA-N 0 1 354.166 2.901 20 10 FFCDMN OC[C@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Br)C1 ZINC000895836699 735062313 /nfs/dbraw/zinc/06/23/13/735062313.db2.gz FOTXEOFRBVTIPJ-LBPRGKRZSA-N 0 1 354.166 2.901 20 10 FFCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)no1 ZINC000896229362 735122472 /nfs/dbraw/zinc/12/24/72/735122472.db2.gz BSYFPHLFBRXKAB-VIFPVBQESA-N 0 1 356.195 2.975 20 10 FFCDMN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756360797 736325022 /nfs/dbraw/zinc/32/50/22/736325022.db2.gz IFPHNUBPTKADEJ-GFCCVEGCSA-N 0 1 367.760 2.699 20 10 FFCDMN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cn1 ZINC000761994682 736780801 /nfs/dbraw/zinc/78/08/01/736780801.db2.gz CMWJUNKGNAGKGA-UHFFFAOYSA-N 0 1 352.412 2.774 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000762000224 736781131 /nfs/dbraw/zinc/78/11/31/736781131.db2.gz JSLSVBFWKSQLHO-UHFFFAOYSA-N 0 1 363.391 2.651 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])NC1CC[NH+](C2CC2)CC1 ZINC000764761337 737046987 /nfs/dbraw/zinc/04/69/87/737046987.db2.gz LHFBUUIKENDRQZ-UHFFFAOYSA-N 0 1 368.275 2.581 20 10 FFCDMN C[N@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769467668 737532658 /nfs/dbraw/zinc/53/26/58/737532658.db2.gz ZGEIUKNJQJVDFS-UHFFFAOYSA-N 0 1 363.801 2.702 20 10 FFCDMN C[N@@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769467668 737532660 /nfs/dbraw/zinc/53/26/60/737532660.db2.gz ZGEIUKNJQJVDFS-UHFFFAOYSA-N 0 1 363.801 2.702 20 10 FFCDMN CO[C@H](C)c1noc(CN(C)Cc2cccc(Br)c2O)n1 ZINC000769567189 737542580 /nfs/dbraw/zinc/54/25/80/737542580.db2.gz OQMHGGNIYMKADH-SECBINFHSA-N 0 1 356.220 2.877 20 10 FFCDMN COc1ccc(N2CCC(NCc3nc(Br)c[nH]3)CC2)cc1 ZINC000921657537 738018989 /nfs/dbraw/zinc/01/89/89/738018989.db2.gz UVXRICWYOFRUDJ-UHFFFAOYSA-N 0 1 365.275 2.939 20 10 FFCDMN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)cc1 ZINC000775286907 738078733 /nfs/dbraw/zinc/07/87/33/738078733.db2.gz DXPOJYBHPFTSDL-UHFFFAOYSA-N 0 1 365.407 2.768 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000775419887 738091845 /nfs/dbraw/zinc/09/18/45/738091845.db2.gz BYQSYDGGJBWJCO-INIZCTEOSA-N 0 1 352.862 2.985 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527278 738099274 /nfs/dbraw/zinc/09/92/74/738099274.db2.gz PWQIXNIILMTWQB-CVEARBPZSA-N 0 1 352.862 2.866 20 10 FFCDMN 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CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846230767 1000238377 /nfs/dbraw/zinc/23/83/77/1000238377.db2.gz HYOSAEPFUFQAAU-UHFFFAOYSA-N 0 1 354.410 2.854 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1O ZINC000846281401 1000253246 /nfs/dbraw/zinc/25/32/46/1000253246.db2.gz XKUPBFXVEBSHJP-FQEVSTJZSA-N 0 1 357.381 2.962 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)c2cn[nH]c2-c2ccccn2)cc1 ZINC000846441616 1000313790 /nfs/dbraw/zinc/31/37/90/1000313790.db2.gz AVNWPVAZHNYVES-UHFFFAOYSA-N 0 1 365.437 2.689 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769490760 1000523190 /nfs/dbraw/zinc/52/31/90/1000523190.db2.gz VFGSNXLOHQIAKF-UHFFFAOYSA-N 0 1 373.434 2.784 20 10 FFCDMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769504541 1000536740 /nfs/dbraw/zinc/53/67/40/1000536740.db2.gz UTUQKHHEWKMZQB-INIZCTEOSA-N 0 1 364.461 2.826 20 10 FFCDMN Cc1nnc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000769662762 1000571736 /nfs/dbraw/zinc/57/17/36/1000571736.db2.gz HVYLFXHASKAMPW-UHFFFAOYSA-N 0 1 368.437 2.843 20 10 FFCDMN Oc1ccccc1CNc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000770551744 1000819098 /nfs/dbraw/zinc/81/90/98/1000819098.db2.gz XDBOKNIIVJHCMC-UHFFFAOYSA-N 0 1 352.438 2.755 20 10 FFCDMN CC(C)N1CC[C@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001182851883 1002084654 /nfs/dbraw/zinc/08/46/54/1002084654.db2.gz LRVVFGNMRSQDPL-INIZCTEOSA-N 0 1 371.403 2.717 20 10 FFCDMN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000789987839 1002250011 /nfs/dbraw/zinc/25/00/11/1002250011.db2.gz XQZIXUJICIPCQU-AWEZNQCLSA-N 0 1 358.413 2.974 20 10 FFCDMN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000789987839 1002250021 /nfs/dbraw/zinc/25/00/21/1002250021.db2.gz XQZIXUJICIPCQU-AWEZNQCLSA-N 0 1 358.413 2.974 20 10 FFCDMN Oc1ccc(Br)cc1CN1CCC(Oc2ccncn2)CC1 ZINC001203647992 1003439752 /nfs/dbraw/zinc/43/97/52/1003439752.db2.gz AYUHGPZRRIIZFR-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN Cc1cccc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1O ZINC000775676164 1003625690 /nfs/dbraw/zinc/62/56/90/1003625690.db2.gz MXEYNYAPUMRVLN-VQIMIIECSA-N 0 1 359.514 2.513 20 10 FFCDMN COc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc(-n2cncn2)c1 ZINC001193626129 1004527429 /nfs/dbraw/zinc/52/74/29/1004527429.db2.gz VGBGAGLTFWWKNW-UHFFFAOYSA-N 0 1 360.757 2.593 20 10 FFCDMN COC(=O)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C1CCCCC1 ZINC001193633957 1004531556 /nfs/dbraw/zinc/53/15/56/1004531556.db2.gz MJHQAQXQOIPWHR-CYBMUJFWSA-N 0 1 355.818 2.993 20 10 FFCDMN O=C(N[C@@H](CO)Cc1cnc[nH]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278634 1004929503 /nfs/dbraw/zinc/92/95/03/1004929503.db2.gz JBUPJHLPACRLCW-XGBCSFPLSA-N 0 1 365.393 2.864 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)C3CC3)cc2F)CC1 ZINC000106584754 1005343099 /nfs/dbraw/zinc/34/30/99/1005343099.db2.gz JDOLVVYBVAONJS-HNNXBMFYSA-N 0 1 362.493 2.908 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(OC)c3)cc2F)CC1 ZINC000106702787 1005356659 /nfs/dbraw/zinc/35/66/59/1005356659.db2.gz ZKIDRXLPAZAMRT-UHFFFAOYSA-N 0 1 371.456 2.906 20 10 FFCDMN COc1ccc(N2CC[C@H](N[C@H](c3c[nH]nn3)c3ccc(F)cc3)C2)cc1 ZINC000850489745 1005818528 /nfs/dbraw/zinc/81/85/28/1005818528.db2.gz WSEFWXVDLZKGAE-JXFKEZNVSA-N 0 1 367.428 2.910 20 10 FFCDMN COc1ccc(N2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)cc1F ZINC000815059595 1006504323 /nfs/dbraw/zinc/50/43/23/1006504323.db2.gz FCCZBZNYSZJSSS-GOSISDBHSA-N 0 1 362.420 2.699 20 10 FFCDMN Cc1cc(CN2CCN(Cc3nccn3C(F)F)CC2)ccc1N(C)C ZINC000815072703 1006507937 /nfs/dbraw/zinc/50/79/37/1006507937.db2.gz RCPLMNGTAULSIT-UHFFFAOYSA-N 0 1 363.456 2.970 20 10 FFCDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775202949 1006745113 /nfs/dbraw/zinc/74/51/13/1006745113.db2.gz ZSHABYVBFUAICS-SFHVURJKSA-N 0 1 366.414 2.720 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC000854309130 1006769568 /nfs/dbraw/zinc/76/95/68/1006769568.db2.gz GEWWNKSGMRHTEZ-IBGZPJMESA-N 0 1 359.514 2.760 20 10 FFCDMN CC1=NO[C@@H](CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000854804616 1006987097 /nfs/dbraw/zinc/98/70/97/1006987097.db2.gz RWJLVLBNMVHXTE-MRXNPFEDSA-N 0 1 368.481 2.689 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NC[C@@H]3C(C)(C)C3(F)F)cc2)CC1 ZINC000883779409 1007002369 /nfs/dbraw/zinc/00/23/69/1007002369.db2.gz XCEZQZVCIAFDND-MRXNPFEDSA-N 0 1 366.456 2.529 20 10 FFCDMN COc1ccc(CNC(=O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816542268 1007104119 /nfs/dbraw/zinc/10/41/19/1007104119.db2.gz JALLKEIGFIRBLC-UHFFFAOYSA-N 0 1 350.418 2.960 20 10 FFCDMN CN1CCCc2cc(CNC(=O)[C@H](N)Cc3c[nH]c4ccccc34)ccc21 ZINC000884205189 1007310980 /nfs/dbraw/zinc/31/09/80/1007310980.db2.gz PJQUSOGHNCKSRC-LJQANCHMSA-N 0 1 362.477 2.737 20 10 FFCDMN COCc1nc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[nH]1 ZINC000855522027 1007392183 /nfs/dbraw/zinc/39/21/83/1007392183.db2.gz RMWLYZDOAVZUAX-UHFFFAOYSA-N 0 1 353.426 2.597 20 10 FFCDMN COCc1nnc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]1 ZINC000855522027 1007392193 /nfs/dbraw/zinc/39/21/93/1007392193.db2.gz RMWLYZDOAVZUAX-UHFFFAOYSA-N 0 1 353.426 2.597 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000817423689 1007601932 /nfs/dbraw/zinc/60/19/32/1007601932.db2.gz QIVOVVUDCDEJGO-GUDVDZBRSA-N 0 1 371.525 2.760 20 10 FFCDMN COc1ccc(N2CCN(C[C@H](O)CNc3cccc(C)c3C)CC2)cc1 ZINC000819394096 1008113814 /nfs/dbraw/zinc/11/38/14/1008113814.db2.gz QHTONHAAVCILKK-HXUWFJFHSA-N 0 1 369.509 2.907 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H](O)CNc3ccc(C)c(C)c3)CC2)cc1 ZINC000819389728 1008132396 /nfs/dbraw/zinc/13/23/96/1008132396.db2.gz RTGOMHCYOQQWLR-NRFANRHFSA-N 0 1 369.509 2.907 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3ccc(CN(C)C)nc3)CC2)cc1 ZINC000857439884 1008146409 /nfs/dbraw/zinc/14/64/09/1008146409.db2.gz IKKAXBHMVUMHLM-UHFFFAOYSA-N 0 1 368.481 2.504 20 10 FFCDMN COc1ccc(N2CC[C@@H](CNC(=O)c3n[nH]c4ccccc43)C2)cc1 ZINC000819578519 1008179809 /nfs/dbraw/zinc/17/98/09/1008179809.db2.gz OJWVRZAJKCHTIA-AWEZNQCLSA-N 0 1 350.422 2.828 20 10 FFCDMN COc1ccc(N2CCN(C(=O)c3cc4[nH]cnc4cc3F)CC2)cc1 ZINC000819803760 1008236411 /nfs/dbraw/zinc/23/64/11/1008236411.db2.gz VWKJLAMVSQUJHO-UHFFFAOYSA-N 0 1 354.385 2.673 20 10 FFCDMN Cc1cc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC001136311315 1008301740 /nfs/dbraw/zinc/30/17/40/1008301740.db2.gz MLZDJNUWLRFFNR-GASCZTMLSA-N 0 1 374.460 2.720 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1[O-] ZINC000858490561 1008368316 /nfs/dbraw/zinc/36/83/16/1008368316.db2.gz ZKRUZMMWDJVEEY-DZGCQCFKSA-N 0 1 372.860 2.803 20 10 FFCDMN CN(C)c1ccc(CN2CCC3(CNC(=O)N3C)CC2)c(C(F)(F)F)c1 ZINC000822530152 1008648360 /nfs/dbraw/zinc/64/83/60/1008648360.db2.gz RQHIOBPTAPWTAL-UHFFFAOYSA-N 0 1 370.419 2.761 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001180029638 1009536412 /nfs/dbraw/zinc/53/64/12/1009536412.db2.gz DIQNTBYCADGITD-JTQLQIEISA-N 0 1 356.394 2.511 20 10 FFCDMN CC[C@H](C)N1CC[C@@]2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1=O ZINC001274180032 1009568132 /nfs/dbraw/zinc/56/81/32/1009568132.db2.gz UXIAHVPQENRELZ-VOJFVSQTSA-N 0 1 366.845 2.757 20 10 FFCDMN O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)NCc1ccccc1O ZINC001181018397 1009934723 /nfs/dbraw/zinc/93/47/23/1009934723.db2.gz RNLMENSJPIJVNE-CQSZACIVSA-N 0 1 366.339 2.818 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)CC1 ZINC000889659129 1010045096 /nfs/dbraw/zinc/04/50/96/1010045096.db2.gz RKLQNHFMVGWKLN-KDURUIRLSA-N 0 1 354.498 2.546 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CCCC(F)(F)CC3)cc2)CC1 ZINC000889661085 1010045242 /nfs/dbraw/zinc/04/52/42/1010045242.db2.gz QILORRMBWGOGNH-UHFFFAOYSA-N 0 1 366.456 2.769 20 10 FFCDMN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC001182139490 1010393791 /nfs/dbraw/zinc/39/37/91/1010393791.db2.gz KSUDLCVBKWXMLO-LBPRGKRZSA-N 0 1 360.376 2.600 20 10 FFCDMN COc1cc(C)c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC001182139490 1010393808 /nfs/dbraw/zinc/39/38/08/1010393808.db2.gz KSUDLCVBKWXMLO-LBPRGKRZSA-N 0 1 360.376 2.600 20 10 FFCDMN O=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000774067529 1010454982 /nfs/dbraw/zinc/45/49/82/1010454982.db2.gz XHQWCOFRWJNRTD-LBPRGKRZSA-N 0 1 369.343 2.956 20 10 FFCDMN COC(=O)[C@H]1CCC[C@@H](N2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001172632141 1011905173 /nfs/dbraw/zinc/90/51/73/1011905173.db2.gz HWBXIHUQHFNUBC-JKSUJKDBSA-N 0 1 362.470 2.558 20 10 FFCDMN CN1CCN(c2ccc(-c3noc(-c4nnsc4C4CC4)n3)cc2)CC1 ZINC001212679656 1011988291 /nfs/dbraw/zinc/98/82/91/1011988291.db2.gz NHQSJOVTPFYABK-UHFFFAOYSA-N 0 1 368.466 2.884 20 10 FFCDMN Cn1cncc1CN1CC[C@@]2(CCCN2Cc2cc(Cl)ccc2O)C1=O ZINC001275254539 1012147188 /nfs/dbraw/zinc/14/71/88/1012147188.db2.gz SKTGVRMKRBBVRG-IBGZPJMESA-N 0 1 374.872 2.546 20 10 FFCDMN COC1(CC(=O)N2CCC3(CN(Cc4cc(F)ccc4O)C3)C2)CCC1 ZINC001279193099 1012524306 /nfs/dbraw/zinc/52/43/06/1012524306.db2.gz ZFGXPAWMEIRVDZ-UHFFFAOYSA-N 0 1 362.445 2.525 20 10 FFCDMN COc1cc(CN2CCCC[C@@]23CC(=O)N(CC(C)C)C3)cc(O)c1O ZINC001275676514 1012831216 /nfs/dbraw/zinc/83/12/16/1012831216.db2.gz PLCYLGHOKPUUNW-FQEVSTJZSA-N 0 1 362.470 2.719 20 10 FFCDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173763475 1012954856 /nfs/dbraw/zinc/95/48/56/1012954856.db2.gz HAGMKACUMQNLHZ-HUUCEWRRSA-N 0 1 366.469 2.715 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000809748696 1013018868 /nfs/dbraw/zinc/01/88/68/1013018868.db2.gz BKYNBIWOFMGYGA-ZDUSSCGKSA-N 0 1 366.414 2.863 20 10 FFCDMN Cc1cc(C(=O)CN(C)[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000827797943 1018694269 /nfs/dbraw/zinc/69/42/69/1018694269.db2.gz IQMDPLPONVNQDU-GOSISDBHSA-N 0 1 370.472 2.979 20 10 FFCDMN CCCN(Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccccc1O ZINC000827938007 1019056442 /nfs/dbraw/zinc/05/64/42/1019056442.db2.gz GXMTXWWXLUFNOP-UHFFFAOYSA-N 0 1 355.398 2.653 20 10 FFCDMN Cc1c([O-])cc2c(c1O[C@H]1C[NH2+]CCC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001217980256 1032931662 /nfs/dbraw/zinc/93/16/62/1032931662.db2.gz KHQKBPCESOGQPI-WBVHZDCISA-N 0 1 369.392 2.945 20 10 FFCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1ccccc1C ZINC000155616331 1022270572 /nfs/dbraw/zinc/27/05/72/1022270572.db2.gz BSFWYSKGOVDQPZ-MRXNPFEDSA-N 0 1 364.453 2.935 20 10 FFCDMN O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@H]3CCC[NH2+]C3)c21 ZINC001218284483 1033086982 /nfs/dbraw/zinc/08/69/82/1033086982.db2.gz ZZUZPTAWPDKPKX-SUMWQHHRSA-N 0 1 371.389 2.641 20 10 FFCDMN CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001119613538 1022893761 /nfs/dbraw/zinc/89/37/61/1022893761.db2.gz IYAWGENRFKIZRG-SFHVURJKSA-N 0 1 370.478 2.893 20 10 FFCDMN Cc1cc(C(=O)NCCN2CCCOCC2)c(C)n1-c1ccccc1C ZINC000189465358 1023285602 /nfs/dbraw/zinc/28/56/02/1023285602.db2.gz DPWATJLOZMFMJA-UHFFFAOYSA-N 0 1 355.482 2.855 20 10 FFCDMN COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1F ZINC000779177477 1023295331 /nfs/dbraw/zinc/29/53/31/1023295331.db2.gz BNAPXOYVZVNZHL-FQEVSTJZSA-N 0 1 371.456 2.581 20 10 FFCDMN COc1cccc([C@H]2[C@H](NC(=O)c3cccc(O)c3O)CCN2C2CC2)c1 ZINC000193154676 1024404078 /nfs/dbraw/zinc/40/40/78/1024404078.db2.gz JAIVTMGNJASHNL-MJGOQNOKSA-N 0 1 368.433 2.814 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3c[nH]nc3C(C)C)cc2F)CC1 ZINC000193560014 1024566794 /nfs/dbraw/zinc/56/67/94/1024566794.db2.gz GDARDTNPYIOWLA-UHFFFAOYSA-N 0 1 373.476 2.744 20 10 FFCDMN Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000194298990 1024772937 /nfs/dbraw/zinc/77/29/37/1024772937.db2.gz YBXNJOQGWQACCY-UHFFFAOYSA-N 0 1 360.421 2.893 20 10 FFCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143673 1025518282 /nfs/dbraw/zinc/51/82/82/1025518282.db2.gz FLYHDJWJQRBAPW-MRXNPFEDSA-N 0 1 361.486 2.956 20 10 FFCDMN Oc1ccc(O)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC001141159062 1025541511 /nfs/dbraw/zinc/54/15/11/1025541511.db2.gz XNEZRVXVTKNRSI-LDQXTDLNSA-N 0 1 370.449 2.689 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN1CCCOCC1 ZINC000838615537 1026437978 /nfs/dbraw/zinc/43/79/78/1026437978.db2.gz JBQKSDRHLMYZQB-UHFFFAOYSA-N 0 1 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O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682047 1035196872 /nfs/dbraw/zinc/19/68/72/1035196872.db2.gz MPZQWYVHGLTFDE-YWZLYKJASA-N 0 1 358.388 2.776 20 10 FFCDMN CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140099699 1035341995 /nfs/dbraw/zinc/34/19/95/1035341995.db2.gz QNHYWDRKJGGPJE-ZDUSSCGKSA-N 0 1 367.287 2.845 20 10 FFCDMN O=C1NCN(c2ccccc2)C12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140340291 1035443868 /nfs/dbraw/zinc/44/38/68/1035443868.db2.gz VPRHQGFXAFKVBU-UHFFFAOYSA-N 0 1 371.868 2.974 20 10 FFCDMN O=C([C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2)N1CCOCC1 ZINC001140344207 1035446193 /nfs/dbraw/zinc/44/61/93/1035446193.db2.gz GDKQTXRPDCMNDA-OAHLLOKOSA-N 0 1 364.873 2.507 20 10 FFCDMN O=C1CC[C@]2(CCCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)O1 ZINC001232201992 1035497207 /nfs/dbraw/zinc/49/72/07/1035497207.db2.gz SFMFXXYCTCJZSU-IBGZPJMESA-N 0 1 364.873 2.848 20 10 FFCDMN CCCOC(=O)[C@H](C)Oc1c(O)c(C(=O)OCC)sc1C(=O)OCC ZINC001227494220 1035582347 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ZINC001357488490 1055921142 /nfs/dbraw/zinc/92/11/42/1055921142.db2.gz ZVFPYUDOJKZNPG-IBGZPJMESA-N 0 1 350.466 2.762 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001454577719 1059572808 /nfs/dbraw/zinc/57/28/08/1059572808.db2.gz IFMJQZDMFBVHLX-QGZVFWFLSA-N 0 1 351.410 2.506 20 10 FFCDMN CN(C)c1ccc(CNC(=O)c2ncc(Br)cc2O)cc1F ZINC001464551403 1062681300 /nfs/dbraw/zinc/68/13/00/1062681300.db2.gz WSDDPRGHXVRMOW-UHFFFAOYSA-N 0 1 368.206 2.685 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2CO)C1 ZINC001441092139 1063395056 /nfs/dbraw/zinc/39/50/56/1063395056.db2.gz BNJMKPCLYXVFPZ-QGZVFWFLSA-N 0 1 369.509 2.781 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCC3)cc2)CC1 ZINC001471189776 1064595962 /nfs/dbraw/zinc/59/59/62/1064595962.db2.gz AWOQRKHFTUROKU-FQEVSTJZSA-N 0 1 356.514 2.913 20 10 FFCDMN O=C(NCc1cc(O)ccc1O)c1n[nH]c2ccc(Br)cc21 ZINC001471661204 1064748920 /nfs/dbraw/zinc/74/89/20/1064748920.db2.gz JNRLSDLNZNVNQB-UHFFFAOYSA-N 0 1 362.183 2.667 20 10 FFCDMN CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCOC1 ZINC001474652815 1065571525 /nfs/dbraw/zinc/57/15/25/1065571525.db2.gz TYDBMTUIQZIRDP-MRXNPFEDSA-N 0 1 372.259 2.604 20 10 FFCDMN CN(C)c1cc(F)c(CN(CCc2c[nH]nn2)CC(F)(F)F)cc1F ZINC001576757986 1078271622 /nfs/dbraw/zinc/27/16/22/1078271622.db2.gz QXMWIRSMQXCAGB-UHFFFAOYSA-N 0 1 363.334 2.756 20 10 FFCDMN COC(=O)c1ccc2c(c1)nc(CN[C@H](C)c1ccccc1O)[nH]c2=O ZINC001560074673 1076221520 /nfs/dbraw/zinc/22/15/20/1076221520.db2.gz AYGLFKZFHXLINL-LLVKDONJSA-N 0 1 353.378 2.678 20 10 FFCDMN [O-]c1c(F)c(F)ccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC001560722812 1076294657 /nfs/dbraw/zinc/29/46/57/1076294657.db2.gz WFVOYDZTQRLJIY-UHFFFAOYSA-N 0 1 358.392 2.636 20 10 FFCDMN O=C(C[NH2+]Cc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC001560991007 1076317118 /nfs/dbraw/zinc/31/71/18/1076317118.db2.gz ZNFFDUBORCOBPQ-UHFFFAOYSA-N 0 1 361.239 2.834 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001562661079 1076509971 /nfs/dbraw/zinc/50/99/71/1076509971.db2.gz LMLMIYFYIHUAGY-UHFFFAOYSA-N 0 1 369.425 2.668 20 10 FFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001589616214 1080635605 /nfs/dbraw/zinc/63/56/05/1080635605.db2.gz ODISCSQUKIIIRC-QGZVFWFLSA-N 0 1 360.498 2.971 20 10 FFCDMN Cc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c(O)c1O ZINC000182951454 509513247 /nfs/dbraw/zinc/51/32/47/509513247.db2.gz XPYIZCXWQVVOSC-UHFFFAOYSA-N 0 1 356.422 2.615 20 10 FFCDMN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1OC ZINC000181276533 510334578 /nfs/dbraw/zinc/33/45/78/510334578.db2.gz HWZKNGUVSDWLNL-LBPRGKRZSA-N 0 1 373.413 2.992 20 10 FFCDMN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000181276533 510334587 /nfs/dbraw/zinc/33/45/87/510334587.db2.gz HWZKNGUVSDWLNL-LBPRGKRZSA-N 0 1 373.413 2.992 20 10 FFCDMN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(Br)cc1[O-] ZINC000184917362 510583200 /nfs/dbraw/zinc/58/32/00/510583200.db2.gz SJNFWXSXVHUNQW-SNVBAGLBSA-N 0 1 353.216 2.828 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278705575 511004812 /nfs/dbraw/zinc/00/48/12/511004812.db2.gz JUIKOCLVYPDJHZ-HNNXBMFYSA-N 0 1 357.420 2.985 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282654789 511062438 /nfs/dbraw/zinc/06/24/38/511062438.db2.gz IEBHLCMOBMBCAF-MLGOLLRUSA-N 0 1 370.287 2.812 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000294501991 511085766 /nfs/dbraw/zinc/08/57/66/511085766.db2.gz BIZNWJCUQUESCE-HNNXBMFYSA-N 0 1 350.509 2.661 20 10 FFCDMN C[C@@H](CN1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000271142299 511094791 /nfs/dbraw/zinc/09/47/91/511094791.db2.gz SLSBTQWTMFZUEL-SFHVURJKSA-N 0 1 359.514 2.604 20 10 FFCDMN O=C(CCc1ccncn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000365186915 511306875 /nfs/dbraw/zinc/30/68/75/511306875.db2.gz ZDDKJNALCHKZCF-QGZVFWFLSA-N 0 1 374.872 2.549 20 10 FFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000295899810 511549881 /nfs/dbraw/zinc/54/98/81/511549881.db2.gz FCHDNZCKPVSIKB-UZLBHIALSA-N 0 1 360.498 2.933 20 10 FFCDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000280760337 511591754 /nfs/dbraw/zinc/59/17/54/511591754.db2.gz QNOLXOIMAFTKOO-OAQYLSRUSA-N 0 1 367.493 2.520 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3nc(C)cnc3C)CC2)cc1 ZINC000301069463 511688393 /nfs/dbraw/zinc/68/83/93/511688393.db2.gz LGCNIVCNSYANFM-UHFFFAOYSA-N 0 1 355.486 2.726 20 10 FFCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000284363231 511698550 /nfs/dbraw/zinc/69/85/50/511698550.db2.gz NDILICIDNLMAET-NVBFEUDRSA-N 0 1 360.292 2.963 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000374428745 512829399 /nfs/dbraw/zinc/82/93/99/512829399.db2.gz MSKLHMWGHNHZTF-BPQIPLTHSA-N 0 1 366.889 2.932 20 10 FFCDMN O=C(C[C@@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370809911 513107343 /nfs/dbraw/zinc/10/73/43/513107343.db2.gz KVCVNYCZUFBQNT-BBRMVZONSA-N 0 1 352.862 2.553 20 10 FFCDMN COCCCN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435538404 513612584 /nfs/dbraw/zinc/61/25/84/513612584.db2.gz VJEZICRPXZYJCO-UHFFFAOYSA-N 0 1 357.498 2.903 20 10 FFCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC1 ZINC000529678168 517278274 /nfs/dbraw/zinc/27/82/74/517278274.db2.gz KZDTXNHEYFVQCG-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc[nH]n2)C1 ZINC000559602825 517336541 /nfs/dbraw/zinc/33/65/41/517336541.db2.gz NIFHEFXLTQMLLO-UHFFFAOYSA-N 0 1 365.481 2.790 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738395907 598275166 /nfs/dbraw/zinc/27/51/66/598275166.db2.gz AMODCZNFVKMSOE-UHFFFAOYSA-N 0 1 360.215 2.625 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1O ZINC000833896945 605655109 /nfs/dbraw/zinc/65/51/09/605655109.db2.gz BRYMMHIUTKPBRL-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000833898688 605913037 /nfs/dbraw/zinc/91/30/37/605913037.db2.gz VWQGDFQIWNANBV-NSHDSACASA-N 0 1 357.248 2.943 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000833898688 605913039 /nfs/dbraw/zinc/91/30/39/605913039.db2.gz VWQGDFQIWNANBV-NSHDSACASA-N 0 1 357.248 2.943 20 10 FFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897904 605992825 /nfs/dbraw/zinc/99/28/25/605992825.db2.gz PGAZCMDTQOEEND-GWCFXTLKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000156027499 728841253 /nfs/dbraw/zinc/84/12/53/728841253.db2.gz DANACVAWFUSAKC-UHFFFAOYSA-N 0 1 356.407 2.916 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011846 728473141 /nfs/dbraw/zinc/47/31/41/728473141.db2.gz IGXLUBYJNKBCEC-HNNXBMFYSA-N 0 1 369.303 2.841 20 10 FFCDMN COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000093610712 728476705 /nfs/dbraw/zinc/47/67/05/728476705.db2.gz RXOUESDONCPOKT-NSHDSACASA-N 0 1 360.273 2.635 20 10 FFCDMN COC(=O)CC[N@H+](Cc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000093734561 728477406 /nfs/dbraw/zinc/47/74/06/728477406.db2.gz SOBRDEOEAUXCDW-UHFFFAOYSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000093734561 728477407 /nfs/dbraw/zinc/47/74/07/728477407.db2.gz SOBRDEOEAUXCDW-UHFFFAOYSA-N 0 1 372.259 2.699 20 10 FFCDMN CC[C@H](SC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000130044760 728714708 /nfs/dbraw/zinc/71/47/08/728714708.db2.gz OOKWGXYJADAGRA-KRWDZBQOSA-N 0 1 353.507 2.725 20 10 FFCDMN O=S1(=O)Cc2ccccc2[C@@H](NCc2c(O)ccc(Cl)c2F)C1 ZINC000857058505 730376673 /nfs/dbraw/zinc/37/66/73/730376673.db2.gz OMNSUUAULZSRQJ-AWEZNQCLSA-N 0 1 355.818 2.944 20 10 FFCDMN CN(C)c1cc(F)c(CNCc2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000858100658 730416577 /nfs/dbraw/zinc/41/65/77/730416577.db2.gz LRZBUKAEFMMQBG-UHFFFAOYSA-N 0 1 368.449 2.865 20 10 FFCDMN COc1ncc(Br)cc1CNCc1cc2c(cc1O)OCO2 ZINC000858248896 730420861 /nfs/dbraw/zinc/42/08/61/730420861.db2.gz FCGFWFZAAOAWJB-UHFFFAOYSA-N 0 1 367.199 2.577 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(Cl)c1 ZINC000858306960 730422299 /nfs/dbraw/zinc/42/22/99/730422299.db2.gz XCRZVVADFKPSFV-MRXNPFEDSA-N 0 1 361.873 2.740 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Br)C[C@@H]1CCCO1 ZINC000862247317 730681371 /nfs/dbraw/zinc/68/13/71/730681371.db2.gz ZYDWAQYYACYMBT-LBPRGKRZSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Br)C[C@@H]1CCCO1 ZINC000862247317 730681372 /nfs/dbraw/zinc/68/13/72/730681372.db2.gz ZYDWAQYYACYMBT-LBPRGKRZSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CCN(Cc1c(O)cccc1Br)C[C@@H]1CCCO1 ZINC000862247317 730681373 /nfs/dbraw/zinc/68/13/73/730681373.db2.gz ZYDWAQYYACYMBT-LBPRGKRZSA-N 0 1 372.259 2.699 20 10 FFCDMN CN(C)c1ccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c(C(F)(F)F)c1 ZINC000862519082 730706125 /nfs/dbraw/zinc/70/61/25/730706125.db2.gz RFVNCNGFIAJWDD-CALCHBBNSA-N 0 1 360.420 2.584 20 10 FFCDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)cn1 ZINC000775652190 738109183 /nfs/dbraw/zinc/10/91/83/738109183.db2.gz HHOMGUGUFXZXSD-UHFFFAOYSA-N 0 1 366.780 2.810 20 10 FFCDMN C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cccc(Br)c1[O-] ZINC000877765883 732425976 /nfs/dbraw/zinc/42/59/76/732425976.db2.gz SLNCMTSNJIWOAC-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Br)ccc3[O-])O2)CO1 ZINC000886334628 733775144 /nfs/dbraw/zinc/77/51/44/733775144.db2.gz ZCMDSERGCHQWAY-DIOULYMOSA-N 0 1 356.260 2.971 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000783700525 738827318 /nfs/dbraw/zinc/82/73/18/738827318.db2.gz GQHSRPHASAVANF-CYBMUJFWSA-N 0 1 371.319 2.740 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000783700525 738827323 /nfs/dbraw/zinc/82/73/23/738827323.db2.gz GQHSRPHASAVANF-CYBMUJFWSA-N 0 1 371.319 2.740 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCCC(C)C)cc2F)CC1 ZINC000730111757 734616549 /nfs/dbraw/zinc/61/65/49/734616549.db2.gz MSFQCVJYBXONDC-UHFFFAOYSA-N 0 1 350.482 2.813 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894432882 734857343 /nfs/dbraw/zinc/85/73/43/734857343.db2.gz VXBWDUCKYIFLPJ-QWHCGFSZSA-N 0 1 360.223 2.878 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000894899724 734933805 /nfs/dbraw/zinc/93/38/05/734933805.db2.gz ACNWBUXBZBJVKJ-ONGXEEELSA-N 0 1 364.314 2.513 20 10 FFCDMN O=C1CCC2=C(CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)N1 ZINC000895226124 734976329 /nfs/dbraw/zinc/97/63/29/734976329.db2.gz UDXYMJGQTCAWPJ-UHFFFAOYSA-N 0 1 355.207 2.664 20 10 FFCDMN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(Br)cc2O)C1 ZINC000895837279 735061860 /nfs/dbraw/zinc/06/18/60/735061860.db2.gz KLEMYTOSNGJOAW-LBPRGKRZSA-N 0 1 354.166 2.901 20 10 FFCDMN C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000903419909 736089830 /nfs/dbraw/zinc/08/98/30/736089830.db2.gz JEIRVXBUNQAQFL-SNVBAGLBSA-N 0 1 352.232 2.732 20 10 FFCDMN CC[NH+](CC)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000765447159 737120147 /nfs/dbraw/zinc/12/01/47/737120147.db2.gz QLEVBWLGDXCFTA-UHFFFAOYSA-N 0 1 358.280 2.686 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000766047047 737186439 /nfs/dbraw/zinc/18/64/39/737186439.db2.gz COKABPCRLMURIE-UHFFFAOYSA-N 0 1 368.342 2.751 20 10 FFCDMN COC(=O)[C@H](COC(C)C)N(C)Cc1cccc(Br)c1O ZINC000770356506 737618759 /nfs/dbraw/zinc/61/87/59/737618759.db2.gz XLEXERUDJHJTJC-ZDUSSCGKSA-N 0 1 360.248 2.553 20 10 FFCDMN Cc1csc([C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000918852463 737829520 /nfs/dbraw/zinc/82/95/20/737829520.db2.gz OOSNEXWXBNTGLD-HNNXBMFYSA-N 0 1 358.511 2.623 20 10 FFCDMN CCNC(=O)CN(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000921028908 737940760 /nfs/dbraw/zinc/94/07/60/737940760.db2.gz MAUCSSLPBOIEQM-UHFFFAOYSA-N 0 1 351.244 2.876 20 10 FFCDMN CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775503289 738097891 /nfs/dbraw/zinc/09/78/91/738097891.db2.gz FOAMFATURDLGRD-INIZCTEOSA-N 0 1 353.894 2.639 20 10 FFCDMN CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775501194 738097897 /nfs/dbraw/zinc/09/78/97/738097897.db2.gz CMRFRLSYHWZJNJ-WFASDCNBSA-N 0 1 357.292 2.916 20 10 FFCDMN Cc1cc(Cl)cc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000775710531 738115729 /nfs/dbraw/zinc/11/57/29/738115729.db2.gz LJHCYEOPTRUSPX-UHFFFAOYSA-N 0 1 359.857 2.775 20 10 FFCDMN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000776868121 738240010 /nfs/dbraw/zinc/24/00/10/738240010.db2.gz GWGWYOVYVCQJJT-SGIREYDYSA-N 0 1 374.275 2.626 20 10 FFCDMN COCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000786409340 739046914 /nfs/dbraw/zinc/04/69/14/739046914.db2.gz MQJAXEAUVFFKRQ-MRXNPFEDSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOCC1 ZINC000787449950 739137921 /nfs/dbraw/zinc/13/79/21/739137921.db2.gz NDDVUGKFMGTSTA-PBHICJAKSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(CN(Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1)N1CCCC1 ZINC000792166085 739645314 /nfs/dbraw/zinc/64/53/14/739645314.db2.gz OYJXXHADUDOCFC-CYBMUJFWSA-N 0 1 370.852 2.788 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792174828 739646694 /nfs/dbraw/zinc/64/66/94/739646694.db2.gz LFTLFWXFQKTYRM-LLVKDONJSA-N 0 1 374.840 2.910 20 10 FFCDMN CCN(Cc1cc2c(cc1O)OCO2)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604465 739798725 /nfs/dbraw/zinc/79/87/25/739798725.db2.gz LCZYXHZXBVNWHN-UHFFFAOYSA-N 0 1 350.415 2.562 20 10 FFCDMN COc1cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793694831 739805737 /nfs/dbraw/zinc/80/57/37/739805737.db2.gz HFWOCFZTYMLRQM-CYBMUJFWSA-N 0 1 355.500 2.565 20 10 FFCDMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(C)C)cc1C(F)(F)F ZINC000794782088 739929903 /nfs/dbraw/zinc/92/99/03/739929903.db2.gz PINISCKOSLLMLO-ZDUSSCGKSA-N 0 1 357.332 2.572 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2sccn2c1=O ZINC000807837921 741162877 /nfs/dbraw/zinc/16/28/77/741162877.db2.gz GPXPWMLIGZLPCX-UHFFFAOYSA-N 0 1 370.217 2.698 20 10 FFCDMN Cc1csc(=O)n1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835518 741162942 /nfs/dbraw/zinc/16/29/42/741162942.db2.gz YKEOEDXIWSSUQX-UHFFFAOYSA-N 0 1 361.250 2.937 20 10 FFCDMN O=C1OCc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc21 ZINC000808113513 741187849 /nfs/dbraw/zinc/18/78/49/741187849.db2.gz BPGXVQNQDGMEKL-UHFFFAOYSA-N 0 1 357.746 2.656 20 10 FFCDMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc21 ZINC000808113701 741188139 /nfs/dbraw/zinc/18/81/39/741188139.db2.gz GQQHFUMIRWYGSL-UHFFFAOYSA-N 0 1 370.789 2.504 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000808445363 741226501 /nfs/dbraw/zinc/22/65/01/741226501.db2.gz VZJHYYGMDXEGRP-RCBQFDQVSA-N 0 1 367.287 2.891 20 10 FFCDMN CN(C)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ncn1 ZINC000810222242 741399322 /nfs/dbraw/zinc/39/93/22/741399322.db2.gz XNXLQWIPSZRTSY-UHFFFAOYSA-N 0 1 356.213 2.877 20 10 FFCDMN O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514582 741532789 /nfs/dbraw/zinc/53/27/89/741532789.db2.gz AYRXVERVMNWFFR-JTQLQIEISA-N 0 1 350.768 2.936 20 10 FFCDMN C[C@](O)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488708 741724715 /nfs/dbraw/zinc/72/47/15/741724715.db2.gz CSGXADZZBPKPRN-QFBILLFUSA-N 0 1 366.889 2.677 20 10 FFCDMN CCn1ccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813488745 741724739 /nfs/dbraw/zinc/72/47/39/741724739.db2.gz DPYMCBCEYYPXAJ-OAHLLOKOSA-N 0 1 362.861 2.656 20 10 FFCDMN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ncc(Br)cn1 ZINC000814301758 741810532 /nfs/dbraw/zinc/81/05/32/741810532.db2.gz DCPAIXDMSSXGFP-QMMMGPOBSA-N 0 1 353.176 2.704 20 10 FFCDMN CN1CCCc2cc(CNCCS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000818985222 742320751 /nfs/dbraw/zinc/32/07/51/742320751.db2.gz OPQQZBOADDPDQK-UHFFFAOYSA-N 0 1 362.470 2.772 20 10 FFCDMN CCN(Cc1cnc(N(C)C)n1C)Cc1cc(Br)ccc1O ZINC000822448252 742734905 /nfs/dbraw/zinc/73/49/05/742734905.db2.gz XJDDZWTVNSHBDK-UHFFFAOYSA-N 0 1 367.291 2.976 20 10 FFCDMN C[C@H](CS(C)(=O)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823846797 742989405 /nfs/dbraw/zinc/98/94/05/742989405.db2.gz ISNJLFHIELYLKE-CQSZACIVSA-N 0 1 352.525 2.907 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000824696563 743129666 /nfs/dbraw/zinc/12/96/66/743129666.db2.gz PCLNFUARKIAWLH-SQWLQELKSA-N 0 1 350.415 2.825 20 10 FFCDMN Cc1cc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)cc1Cl ZINC000824837013 743160356 /nfs/dbraw/zinc/16/03/56/743160356.db2.gz ROAPIOQSDUJPII-UHFFFAOYSA-N 0 1 359.857 2.775 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000825144160 743218069 /nfs/dbraw/zinc/21/80/69/743218069.db2.gz LMJHBPJVYCUDQF-CYBMUJFWSA-N 0 1 365.813 2.612 20 10 FFCDMN C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1[O-] ZINC000825697624 743313297 /nfs/dbraw/zinc/31/32/97/743313297.db2.gz IBYDUFWUUUASKK-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1[O-] ZINC000825697624 743313308 /nfs/dbraw/zinc/31/33/08/743313308.db2.gz IBYDUFWUUUASKK-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000825810014 743329462 /nfs/dbraw/zinc/32/94/62/743329462.db2.gz FRHHRCOIOPUEAT-UHFFFAOYSA-N 0 1 368.474 2.718 20 10 FFCDMN O=C([C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000825939717 743346441 /nfs/dbraw/zinc/34/64/41/743346441.db2.gz GPWNOWZYMPZCAM-CYBMUJFWSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000825939717 743346450 /nfs/dbraw/zinc/34/64/50/743346450.db2.gz GPWNOWZYMPZCAM-CYBMUJFWSA-N 0 1 353.260 2.599 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515474 743592136 /nfs/dbraw/zinc/59/21/36/743592136.db2.gz IYUAVOFLQKYXDI-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515474 743592140 /nfs/dbraw/zinc/59/21/40/743592140.db2.gz IYUAVOFLQKYXDI-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849191 744989780 /nfs/dbraw/zinc/98/97/80/744989780.db2.gz CSDINMPCGHNIHH-RISCZKNCSA-N 0 1 361.383 2.781 20 10 FFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849191 744989782 /nfs/dbraw/zinc/98/97/82/744989782.db2.gz CSDINMPCGHNIHH-RISCZKNCSA-N 0 1 361.383 2.781 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1[O-] ZINC000834851265 745914551 /nfs/dbraw/zinc/91/45/51/745914551.db2.gz WBIKJKSNVZJIMZ-JSGCOSHPSA-N 0 1 357.292 2.652 20 10 FFCDMN C[N@H+](CCCCNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836687283 746284602 /nfs/dbraw/zinc/28/46/02/746284602.db2.gz QSDCJVVXJVKIEA-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN C[N@@H+](CCCCNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836687283 746284605 /nfs/dbraw/zinc/28/46/05/746284605.db2.gz QSDCJVVXJVKIEA-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN CC1(CO)CN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000839145013 746787661 /nfs/dbraw/zinc/78/76/61/746787661.db2.gz FRIKIPWSOHAFAP-UHFFFAOYSA-N 0 1 365.065 2.731 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN[C@H](CO)c2ccnn2C)cc1 ZINC000839183897 746797147 /nfs/dbraw/zinc/79/71/47/746797147.db2.gz PYOOWYYLEHRCNC-GOSISDBHSA-N 0 1 356.495 2.941 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(Cl)c1 ZINC000840953268 747241401 /nfs/dbraw/zinc/24/14/01/747241401.db2.gz NEZPLXFSELTOPS-INIZCTEOSA-N 0 1 355.862 2.859 20 10 FFCDMN CC(C)(N)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030386 747259011 /nfs/dbraw/zinc/25/90/11/747259011.db2.gz HBIZKGVAWVPCKM-UHFFFAOYSA-N 0 1 352.070 2.744 20 10 FFCDMN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(Cl)c1O ZINC000841892850 747482613 /nfs/dbraw/zinc/48/26/13/747482613.db2.gz ZCVJHBSQTDQPDT-CABCVRRESA-N 0 1 368.861 2.866 20 10 FFCDMN C[C@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368898 749354129 /nfs/dbraw/zinc/35/41/29/749354129.db2.gz GIWURYBUPORKAL-WCQYABFASA-N 0 1 364.433 2.827 20 10 FFCDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000057365821 845368682 /nfs/dbraw/zinc/36/86/82/845368682.db2.gz JVLUCPZABWJUCY-UHFFFAOYSA-N 0 1 364.804 2.951 20 10 FFCDMN CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837077 1013057622 /nfs/dbraw/zinc/05/76/22/1013057622.db2.gz BDLNIZRWTDAOGQ-WFASDCNBSA-N 0 1 364.873 2.741 20 10 FFCDMN CCCCN1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837682 1013066815 /nfs/dbraw/zinc/06/68/15/1013066815.db2.gz LKVMILPHGFIDQX-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837682 1013066831 /nfs/dbraw/zinc/06/68/31/1013066831.db2.gz LKVMILPHGFIDQX-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837682 1013066850 /nfs/dbraw/zinc/06/68/50/1013066850.db2.gz LKVMILPHGFIDQX-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN COc1ccc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)cc1Cn1cccn1 ZINC000871874234 1013096099 /nfs/dbraw/zinc/09/60/99/1013096099.db2.gz ITSKKGDCACTPCM-LBPRGKRZSA-N 0 1 372.450 2.946 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ncnc4c3CCC4)CC2)cc1 ZINC000728199738 959395847 /nfs/dbraw/zinc/39/58/47/959395847.db2.gz YGVRYNMXADINOB-UHFFFAOYSA-N 0 1 367.497 2.598 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(C)(C)O)C1 ZINC000683491108 960787075 /nfs/dbraw/zinc/78/70/75/960787075.db2.gz FWTCTQACHAYTAB-HNNXBMFYSA-N 0 1 357.498 2.683 20 10 FFCDMN Nc1nc2c(c(NCc3ccc(N4CCC(O)CC4)c(F)c3)n1)CCCC2 ZINC000825611017 1013227536 /nfs/dbraw/zinc/22/75/36/1013227536.db2.gz MFDGVAIQRMEFFY-UHFFFAOYSA-N 0 1 371.460 2.650 20 10 FFCDMN CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000872821160 1013269672 /nfs/dbraw/zinc/26/96/72/1013269672.db2.gz SOXZQPRMZBWUNG-HNNXBMFYSA-N 0 1 356.378 2.578 20 10 FFCDMN COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC000873035476 1013357073 /nfs/dbraw/zinc/35/70/73/1013357073.db2.gz KKKDDNNZRUMQAV-DLBZAZTESA-N 0 1 370.497 2.819 20 10 FFCDMN COc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873051811 1013364200 /nfs/dbraw/zinc/36/42/00/1013364200.db2.gz HMBBOSRJYQMNMX-LJQANCHMSA-N 0 1 355.413 2.902 20 10 FFCDMN COc1nc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC001167434923 963186987 /nfs/dbraw/zinc/18/69/87/963186987.db2.gz ZOEGZMXGANQIKF-UHFFFAOYSA-N 0 1 371.441 2.671 20 10 FFCDMN CCOCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276087103 1013429772 /nfs/dbraw/zinc/42/97/72/1013429772.db2.gz WWNBQJFPKHUEMM-HXUWFJFHSA-N 0 1 364.461 2.772 20 10 FFCDMN CCCC[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000051180063 964282815 /nfs/dbraw/zinc/28/28/15/964282815.db2.gz JIHMTUAXBDOXCK-IYBDPMFKSA-N 0 1 365.493 2.787 20 10 FFCDMN COc1ccc(N2CCCN(CC(=O)NCc3ccccc3C)CC2)cc1 ZINC000052465792 967617909 /nfs/dbraw/zinc/61/79/09/967617909.db2.gz BONAPWPRXRRLTQ-UHFFFAOYSA-N 0 1 367.493 2.832 20 10 FFCDMN C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000050612997 968149277 /nfs/dbraw/zinc/14/92/77/968149277.db2.gz NACANUZNADIXNV-OAHLLOKOSA-N 0 1 364.449 2.819 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3O)C2)cn1 ZINC001605487923 973611923 /nfs/dbraw/zinc/61/19/23/973611923.db2.gz AYMSOILJXSAZPO-SJORKVTESA-N 0 1 365.433 2.969 20 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2.794 20 10 FFCDMN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(Cl)ccc2[O-])C3)n(C)n1 ZINC001278569210 1041210011 /nfs/dbraw/zinc/21/00/11/1041210011.db2.gz RNLMEHQHSNAMKC-KDOFPFPSSA-N 0 1 360.889 2.794 20 10 FFCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c(O)c1 ZINC001279260931 1042971808 /nfs/dbraw/zinc/97/18/08/1042971808.db2.gz HUUQASZVSWRYCZ-DZGCQCFKSA-N 0 1 372.387 2.939 20 10 FFCDMN Cc1ccc(CN(C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC001237206460 1043051173 /nfs/dbraw/zinc/05/11/73/1043051173.db2.gz NPLLWVQETIWRTE-UHFFFAOYSA-N 0 1 358.507 2.862 20 10 FFCDMN O=C(NCC(F)(F)F)N1CCC12CN(Cc1cccc(Cl)c1O)C2 ZINC001279441343 1043115487 /nfs/dbraw/zinc/11/54/87/1043115487.db2.gz MKQGYLNQDQLXQZ-UHFFFAOYSA-N 0 1 363.767 2.578 20 10 FFCDMN COc1cc(Cl)cc(CN2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001279476799 1043159474 /nfs/dbraw/zinc/15/94/74/1043159474.db2.gz VLNRPPWHUJKVAP-SWLSCSKDSA-N 0 1 367.877 2.678 20 10 FFCDMN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])ccc(F)c2F)[nH]1 ZINC001279490492 1043176130 /nfs/dbraw/zinc/17/61/30/1043176130.db2.gz QQFSIEVLVOQTSQ-HOTGVXAUSA-N 0 1 361.392 2.620 20 10 FFCDMN [O-]c1c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279506222 1043200920 /nfs/dbraw/zinc/20/09/20/1043200920.db2.gz VRICRHVCEAOTCF-HOTGVXAUSA-N 0 1 366.387 2.983 20 10 FFCDMN CCn1ccnc1CN1CC2(C1)CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001279525249 1043224041 /nfs/dbraw/zinc/22/40/41/1043224041.db2.gz KQLQUUGFNJPLLV-UHFFFAOYSA-N 0 1 358.461 2.846 20 10 FFCDMN O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2C1 ZINC001237620937 1043277593 /nfs/dbraw/zinc/27/75/93/1043277593.db2.gz ZIOFDMCAYMCTOV-BETUJISGSA-N 0 1 364.804 2.982 20 10 FFCDMN C[NH+](C)C[C@@H]1CCCN1Cc1cccc(I)c1[O-] ZINC001237781072 1043352985 /nfs/dbraw/zinc/35/29/85/1043352985.db2.gz RNNWPJZDCQBAFT-LBPRGKRZSA-N 0 1 360.239 2.523 20 10 FFCDMN CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237782104 1043356320 /nfs/dbraw/zinc/35/63/20/1043356320.db2.gz UHJWASJTTOXSHO-UHFFFAOYSA-N 0 1 369.181 2.871 20 10 FFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001279684211 1043463925 /nfs/dbraw/zinc/46/39/25/1043463925.db2.gz MNOXRXUUWXDQIS-HOTGVXAUSA-N 0 1 364.852 2.730 20 10 FFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001279684211 1043463928 /nfs/dbraw/zinc/46/39/28/1043463928.db2.gz MNOXRXUUWXDQIS-HOTGVXAUSA-N 0 1 364.852 2.730 20 10 FFCDMN Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1O ZINC001238061250 1043509066 /nfs/dbraw/zinc/50/90/66/1043509066.db2.gz ODUQIKYELPOQSQ-UTKZUKDTSA-N 0 1 372.440 2.900 20 10 FFCDMN C[C@H]1CC[C@@](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)(CC(=O)[O-])C1 ZINC000756314464 1043578130 /nfs/dbraw/zinc/57/81/30/1043578130.db2.gz ZVCVBLRCMYIQON-UWJYYQICSA-N 0 1 359.514 2.809 20 10 FFCDMN O=C(N1CCCCO1)[C@]12C[C@H]1CCN2Cc1ccc(N2CCCC2)cc1 ZINC001279860404 1043785338 /nfs/dbraw/zinc/78/53/38/1043785338.db2.gz SRBUHGTUJVMCFJ-NQIIRXRSSA-N 0 1 355.482 2.805 20 10 FFCDMN O=C(Nc1cccc2c1OCO2)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001279969144 1044005383 /nfs/dbraw/zinc/00/53/83/1044005383.db2.gz VHCQDKLLPKCKIM-VBKZILBWSA-N 0 1 352.390 2.724 20 10 FFCDMN Cc1ccc(CCNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001311988315 1044014226 /nfs/dbraw/zinc/01/42/26/1044014226.db2.gz GQYINOFYZMLERK-UHFFFAOYSA-N 0 1 366.509 2.789 20 10 FFCDMN CCN(CC)c1ccc(CN2CC[C@H]3C[C@]32C(=O)NCC(F)F)c(O)c1 ZINC001280034612 1044110992 /nfs/dbraw/zinc/11/09/92/1044110992.db2.gz BJAMYWGYQAXBCI-IFXJQAMLSA-N 0 1 367.440 2.584 20 10 FFCDMN CC[N@H+]1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@@H]1C ZINC001313930787 1044444171 /nfs/dbraw/zinc/44/41/71/1044444171.db2.gz BUHMOIKRFQGANU-ZDUSSCGKSA-N 0 1 366.560 2.756 20 10 FFCDMN CCN1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@@H]1C ZINC001313930787 1044444177 /nfs/dbraw/zinc/44/41/77/1044444177.db2.gz BUHMOIKRFQGANU-ZDUSSCGKSA-N 0 1 366.560 2.756 20 10 FFCDMN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001280312633 1044586403 /nfs/dbraw/zinc/58/64/03/1044586403.db2.gz FWVXSSJIRSSXKL-DRXBFXEBSA-N 0 1 367.287 2.701 20 10 FFCDMN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001280312633 1044586418 /nfs/dbraw/zinc/58/64/18/1044586418.db2.gz FWVXSSJIRSSXKL-DRXBFXEBSA-N 0 1 367.287 2.701 20 10 FFCDMN CCOc1ccc(N2CCN(CCC(=O)Nc3cc(C)on3)CC2)cc1 ZINC001319381987 1045132004 /nfs/dbraw/zinc/13/20/04/1045132004.db2.gz WXGZQEOUOKQJAO-UHFFFAOYSA-N 0 1 358.442 2.533 20 10 FFCDMN C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(Br)cc1[O-] ZINC001320246794 1045374773 /nfs/dbraw/zinc/37/47/73/1045374773.db2.gz PAFOUPOUMHDJCS-LBPRGKRZSA-N 0 1 357.292 2.510 20 10 FFCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001320754266 1045461758 /nfs/dbraw/zinc/46/17/58/1045461758.db2.gz PUINASDZVRTXEU-YWEYNIOJSA-N 0 1 367.449 2.810 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC001329155740 1048599343 /nfs/dbraw/zinc/59/93/43/1048599343.db2.gz DVEAGVQHFCFKMS-SUMWQHHRSA-N 0 1 366.255 2.729 20 10 FFCDMN Fc1cc(CNc2nc(Cl)nc3[nH]cnc32)ccc1N1CCOCC1 ZINC001333640065 1049022806 /nfs/dbraw/zinc/02/28/06/1049022806.db2.gz HCRUGWFYQQFFOY-UHFFFAOYSA-N 0 1 362.796 2.546 20 10 FFCDMN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393510 1049882718 /nfs/dbraw/zinc/88/27/18/1049882718.db2.gz XWFSOEYOITUIOZ-QGPMSJSTSA-N 0 1 372.469 2.684 20 10 FFCDMN NC(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000743674644 1050107937 /nfs/dbraw/zinc/10/79/37/1050107937.db2.gz GLKZJEBEAFVRPF-UHFFFAOYSA-N 0 1 368.437 2.974 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@H]3CNc4ccccc43)cc2)CC1 ZINC001341592941 1050219108 /nfs/dbraw/zinc/21/91/08/1050219108.db2.gz KYUOFRZREMGZJC-SFHVURJKSA-N 0 1 364.493 2.654 20 10 FFCDMN NC(=O)c1ccc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001298840585 1050544340 /nfs/dbraw/zinc/54/43/40/1050544340.db2.gz CTLDXJVJLANQMO-RQOWECAXSA-N 0 1 355.177 2.721 20 10 FFCDMN COc1cc(C)c(CN2CCN(c3nccc(C(C)C)n3)CC2)c(O)c1 ZINC001308664013 1052483656 /nfs/dbraw/zinc/48/36/56/1052483656.db2.gz QWQLJWIAADPPGL-UHFFFAOYSA-N 0 1 356.470 2.945 20 10 FFCDMN C[NH+](C)CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC001335117516 1053222005 /nfs/dbraw/zinc/22/20/05/1053222005.db2.gz VNLVIECBBXHUFH-MRXNPFEDSA-N 0 1 362.861 2.933 20 10 FFCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001335541089 1053423320 /nfs/dbraw/zinc/42/33/20/1053423320.db2.gz VXMCGPKJMGOIEP-OAHLLOKOSA-N 0 1 353.470 2.689 20 10 FFCDMN CCc1cccc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1O ZINC000848884307 1055300134 /nfs/dbraw/zinc/30/01/34/1055300134.db2.gz AUGJVKHOLUYNFD-INIZCTEOSA-N 0 1 359.514 2.520 20 10 FFCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001544524158 1071655253 /nfs/dbraw/zinc/65/52/53/1071655253.db2.gz RJQZRXMPSICOSZ-UXHICEINSA-N 0 1 359.514 2.745 20 10 FFCDMN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001545632571 1071822972 /nfs/dbraw/zinc/82/29/72/1071822972.db2.gz PGFGCZVXZOCDPL-ZYRRHWMLSA-N 0 1 366.889 2.797 20 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/nfs/dbraw/zinc/59/54/44/1064595444.db2.gz BXJFASBJFOPIBQ-LJQANCHMSA-N 0 1 356.514 2.770 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@H](NC(=O)c3ccccc3)C2)cc1OC ZINC001474351454 1065499019 /nfs/dbraw/zinc/49/90/19/1065499019.db2.gz VXMLJDQMRHFERN-KRWDZBQOSA-N 0 1 370.449 2.804 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510529 1065540490 /nfs/dbraw/zinc/54/04/90/1065540490.db2.gz KPXQGPYAZZUERB-UONOGXRCSA-N 0 1 370.396 2.540 20 10 FFCDMN Cn1ccc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc21 ZINC001583475828 1079220988 /nfs/dbraw/zinc/22/09/88/1079220988.db2.gz MQNXVERIOLGQBO-UHFFFAOYSA-N 0 1 362.477 2.860 20 10 FFCDMN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1c(F)ccc(O)c1O ZINC001558962265 1076107086 /nfs/dbraw/zinc/10/70/86/1076107086.db2.gz KXARNOFFILZEPO-UHFFFAOYSA-N 0 1 372.352 2.528 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1F ZINC001559642453 1076179120 /nfs/dbraw/zinc/17/91/20/1076179120.db2.gz PQXPHEQUQPLTQY-PXNSSMCTSA-N 0 1 364.461 2.685 20 10 FFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001589616213 1080636080 /nfs/dbraw/zinc/63/60/80/1080636080.db2.gz ODISCSQUKIIIRC-KRWDZBQOSA-N 0 1 360.498 2.971 20 10 FFCDMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090852590 507938760 /nfs/dbraw/zinc/93/87/60/507938760.db2.gz XUBCEXDCCHUAPA-OAHLLOKOSA-N 0 1 358.461 2.974 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1O ZINC000073981044 507974027 /nfs/dbraw/zinc/97/40/27/507974027.db2.gz RSNUYTDTUZWHQX-INIZCTEOSA-N 0 1 373.453 2.939 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC1CCOCC1 ZINC000377639386 512371424 /nfs/dbraw/zinc/37/14/24/512371424.db2.gz CTSRNHWPXPAVJB-OAHLLOKOSA-N 0 1 368.861 2.915 20 10 FFCDMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccccc1O ZINC000111236452 508081004 /nfs/dbraw/zinc/08/10/04/508081004.db2.gz FVGZGZDCUYTGRL-HNNXBMFYSA-N 0 1 367.449 2.978 20 10 FFCDMN Cn1ccnc1[C@](O)(CC[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000113326549 508260517 /nfs/dbraw/zinc/26/05/17/508260517.db2.gz GHQFRMLOLWYIQC-CQSZACIVSA-N 0 1 363.767 2.709 20 10 FFCDMN COc1cccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000129010854 508670365 /nfs/dbraw/zinc/67/03/65/508670365.db2.gz NPVLXAQABGLHRC-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000155606080 509036695 /nfs/dbraw/zinc/03/66/95/509036695.db2.gz KLTCNUFUYZVLIQ-GFCCVEGCSA-N 0 1 350.278 2.630 20 10 FFCDMN COc1ccc(O)c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000179624077 509540381 /nfs/dbraw/zinc/54/03/81/509540381.db2.gz HBNDZBOHQDSVAD-UHFFFAOYSA-N 0 1 353.422 2.881 20 10 FFCDMN CCOC1CC(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])(N2CCOCC2)C1 ZINC000193399252 509897497 /nfs/dbraw/zinc/89/74/97/509897497.db2.gz LEXLQUCIDMSBMH-ICXUMSERSA-N 0 1 368.905 2.966 20 10 FFCDMN COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)c1 ZINC000180605545 510009817 /nfs/dbraw/zinc/00/98/17/510009817.db2.gz ULBUTROBPXAZEQ-SYJIQKIWSA-N 0 1 356.422 2.539 20 10 FFCDMN COCc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)o1 ZINC000268736650 510090891 /nfs/dbraw/zinc/09/08/91/510090891.db2.gz NZZVPCOVDUMTDU-ZROIWOOFSA-N 0 1 352.481 2.721 20 10 FFCDMN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185006790 510630226 /nfs/dbraw/zinc/63/02/26/510630226.db2.gz BOOSUPOKYWBMHZ-ZDUSSCGKSA-N 0 1 353.894 2.687 20 10 FFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000185317022 510802965 /nfs/dbraw/zinc/80/29/65/510802965.db2.gz XXABVLKBICALQC-JOYOIKCWSA-N 0 1 351.248 2.720 20 10 FFCDMN CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000276909099 510950016 /nfs/dbraw/zinc/95/00/16/510950016.db2.gz JBMSFURLNCFALH-UHFFFAOYSA-N 0 1 360.907 2.728 20 10 FFCDMN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000279088541 511018942 /nfs/dbraw/zinc/01/89/42/511018942.db2.gz NFYKRPSOXIUXMX-CQSZACIVSA-N 0 1 372.444 2.867 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4nc[nH]c4C3)ccc21 ZINC000361279420 511025901 /nfs/dbraw/zinc/02/59/01/511025901.db2.gz XJDMBISUBMXZQD-INIZCTEOSA-N 0 1 366.465 2.915 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000287180790 511043884 /nfs/dbraw/zinc/04/38/84/511043884.db2.gz VFKSPSUSWWMJAV-GHMZBOCLSA-N 0 1 362.289 2.630 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271094211 511080312 /nfs/dbraw/zinc/08/03/12/511080312.db2.gz MCIDNQNACIHXGW-CQSZACIVSA-N 0 1 366.458 2.899 20 10 FFCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000289477624 511102183 /nfs/dbraw/zinc/10/21/83/511102183.db2.gz QDGUIBHDQRJYEI-SSDOTTSWSA-N 0 1 353.054 2.730 20 10 FFCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000294695696 511145131 /nfs/dbraw/zinc/14/51/31/511145131.db2.gz DUZILNRUXIVAIM-UHFFFAOYSA-N 0 1 358.511 2.971 20 10 FFCDMN O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000294782972 511176838 /nfs/dbraw/zinc/17/68/38/511176838.db2.gz CUIKHIDSBOSDOG-AWEZNQCLSA-N 0 1 350.434 2.965 20 10 FFCDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1n[nH]c2ccccc21 ZINC000299157302 511534008 /nfs/dbraw/zinc/53/40/08/511534008.db2.gz NHMWYIGRTZHAHN-UHFFFAOYSA-N 0 1 368.412 2.593 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1[O-] ZINC000363869557 511819764 /nfs/dbraw/zinc/81/97/64/511819764.db2.gz RIYCFSRLGKITOA-WCQYABFASA-N 0 1 365.275 2.818 20 10 FFCDMN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296805523 511905034 /nfs/dbraw/zinc/90/50/34/511905034.db2.gz UOSMVVRXIPTABM-HNNXBMFYSA-N 0 1 370.453 2.970 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000293524691 511997769 /nfs/dbraw/zinc/99/77/69/511997769.db2.gz AAQHBBLMWNUNGF-INIZCTEOSA-N 0 1 370.287 2.812 20 10 FFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293734585 512068184 /nfs/dbraw/zinc/06/81/84/512068184.db2.gz VDQCTRGGYYURRC-ZDUSSCGKSA-N 0 1 357.241 2.620 20 10 FFCDMN Cn1cc([C@@H](CO)NCc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000367583311 512569945 /nfs/dbraw/zinc/56/99/45/512569945.db2.gz CEBJPMMZLCLKRA-OAQYLSRUSA-N 0 1 362.477 2.806 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H]2C)C1 ZINC000435610625 513635780 /nfs/dbraw/zinc/63/57/80/513635780.db2.gz LFYWPVFUFQUVPO-MRXNPFEDSA-N 0 1 355.482 2.655 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCOC2)C1 ZINC000436038066 513742591 /nfs/dbraw/zinc/74/25/91/513742591.db2.gz KRLYMOPQJJUZJW-NRFANRHFSA-N 0 1 355.482 2.703 20 10 FFCDMN CNc1cc2c(nn1)CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737562435 600313225 /nfs/dbraw/zinc/31/32/25/600313225.db2.gz NIMLOJHAQSRFEF-UHFFFAOYSA-N 0 1 364.405 2.634 20 10 FFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000831763769 600717236 /nfs/dbraw/zinc/71/72/36/600717236.db2.gz WZCDMSVYWUGUDZ-CQSZACIVSA-N 0 1 359.422 2.729 20 10 FFCDMN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714826 600986589 /nfs/dbraw/zinc/98/65/89/600986589.db2.gz ZDGNURKVAPTGNC-YERXGYGTSA-N 0 1 359.426 2.861 20 10 FFCDMN Cc1cc(C(=O)C[N@H+](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859090 601384624 /nfs/dbraw/zinc/38/46/24/601384624.db2.gz KYBPADVCUHBFMS-INIZCTEOSA-N 0 1 370.449 2.943 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859090 601384625 /nfs/dbraw/zinc/38/46/25/601384625.db2.gz KYBPADVCUHBFMS-INIZCTEOSA-N 0 1 370.449 2.943 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896912 605912600 /nfs/dbraw/zinc/91/26/00/605912600.db2.gz ATSVUQQBRWXKHK-MFKMUULPSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896912 605912602 /nfs/dbraw/zinc/91/26/02/605912602.db2.gz ATSVUQQBRWXKHK-MFKMUULPSA-N 0 1 357.248 2.941 20 10 FFCDMN OC[C@@H]1COc2ccccc2[C@@H]1NCc1c(O)cccc1Br ZINC000897949479 735296781 /nfs/dbraw/zinc/29/67/81/735296781.db2.gz XWMPKLPHGMYKLD-PIGZYNQJSA-N 0 1 364.239 2.987 20 10 FFCDMN COc1ccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858093240 730416286 /nfs/dbraw/zinc/41/62/86/730416286.db2.gz WDOLFOIEFCEIHV-INIZCTEOSA-N 0 1 352.228 2.987 20 10 FFCDMN COCCOc1ncccc1CNCc1c(O)cccc1Br ZINC000858098668 730416495 /nfs/dbraw/zinc/41/64/95/730416495.db2.gz CMAVDXPWNYLPJL-UHFFFAOYSA-N 0 1 367.243 2.865 20 10 FFCDMN Cc1cccc(OC[C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858107656 730416781 /nfs/dbraw/zinc/41/67/81/730416781.db2.gz HXJZJCCMZFHEPY-ZDUSSCGKSA-N 0 1 366.255 2.993 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000925149596 738483210 /nfs/dbraw/zinc/48/32/10/738483210.db2.gz RYHVGISOQVUCHP-IRXDYDNUSA-N 0 1 363.527 2.894 20 10 FFCDMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247770 730681430 /nfs/dbraw/zinc/68/14/30/730681430.db2.gz BVGHVLYZSBUWSH-ZWKOTPCHSA-N 0 1 354.441 2.783 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862332123 730689070 /nfs/dbraw/zinc/68/90/70/730689070.db2.gz RTNKJOCIIBHFSG-VXGBXAGGSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862332123 730689073 /nfs/dbraw/zinc/68/90/73/730689073.db2.gz RTNKJOCIIBHFSG-VXGBXAGGSA-N 0 1 372.259 2.697 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000862356226 730691270 /nfs/dbraw/zinc/69/12/70/730691270.db2.gz YDQKDMKKKBIIEX-CQSZACIVSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000862356226 730691271 /nfs/dbraw/zinc/69/12/71/730691271.db2.gz YDQKDMKKKBIIEX-CQSZACIVSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862388298 730695815 /nfs/dbraw/zinc/69/58/15/730695815.db2.gz ZOIUSZQVLDORBS-UFBFGSQYSA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862388298 730695817 /nfs/dbraw/zinc/69/58/17/730695817.db2.gz ZOIUSZQVLDORBS-UFBFGSQYSA-N 0 1 354.166 2.900 20 10 FFCDMN C[C@@H]([NH2+]CC1(N)CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000863541487 730789699 /nfs/dbraw/zinc/78/96/99/730789699.db2.gz MASLMWOHWBYQQC-SECBINFHSA-N 0 1 363.683 2.967 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781229 730996755 /nfs/dbraw/zinc/99/67/55/730996755.db2.gz JEDLDQUXKCBCOV-AWEZNQCLSA-N 0 1 356.260 2.830 20 10 FFCDMN O=C(CC1CSC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000866765561 731096818 /nfs/dbraw/zinc/09/68/18/731096818.db2.gz YWZIXZUJGCKHJX-OAHLLOKOSA-N 0 1 354.903 2.879 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876642870 732264571 /nfs/dbraw/zinc/26/45/71/732264571.db2.gz OFEWXBILFJEAAD-JTQLQIEISA-N 0 1 356.394 2.511 20 10 FFCDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798924 732434369 /nfs/dbraw/zinc/43/43/69/732434369.db2.gz GDZXAOMESKDNMR-PMPSAXMXSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C1N[C@@H](c2cccc(Br)c2O)N2CCc3ccccc3[C@@H]12 ZINC000877855818 732445341 /nfs/dbraw/zinc/44/53/41/732445341.db2.gz KFSJFOIKSAASMP-GOEBONIOSA-N 0 1 359.223 2.883 20 10 FFCDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1O ZINC000879650022 732742786 /nfs/dbraw/zinc/74/27/86/732742786.db2.gz XZJLOIMMUXUKFS-CYBMUJFWSA-N 0 1 350.440 2.621 20 10 FFCDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965206 732810846 /nfs/dbraw/zinc/81/08/46/732810846.db2.gz AJIVFFPNTIZOJZ-BJOHPYRUSA-N 0 1 364.243 2.860 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1[O-] ZINC000926947401 738671792 /nfs/dbraw/zinc/67/17/92/738671792.db2.gz JODPDOAIWPOWJN-FTYZYXLQSA-N 0 1 356.260 2.999 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cc(O)ccc3Cl)cc2)CC1 ZINC000881853798 733120587 /nfs/dbraw/zinc/12/05/87/733120587.db2.gz KVTCHNIJJNZAPB-UHFFFAOYSA-N 0 1 359.857 2.727 20 10 FFCDMN COCc1csc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000881855609 733120658 /nfs/dbraw/zinc/12/06/58/733120658.db2.gz YKQMWASYIXQOCB-UHFFFAOYSA-N 0 1 359.495 2.576 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1[O-] ZINC000927146409 738696279 /nfs/dbraw/zinc/69/62/79/738696279.db2.gz NTHOQTYIDGSIIA-AAEUAGOBSA-N 0 1 365.275 2.881 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155286 738697695 /nfs/dbraw/zinc/69/76/95/738697695.db2.gz JMZGQXALYNIGLI-LKTVYLICSA-N 0 1 356.260 2.735 20 10 FFCDMN CSc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000882908983 733309971 /nfs/dbraw/zinc/30/99/71/733309971.db2.gz JPEKYNLVWFVORP-OAHLLOKOSA-N 0 1 359.495 2.993 20 10 FFCDMN COc1cc(Cl)cc(CNCc2cn(C)nc2Br)c1O ZINC000720646697 734379458 /nfs/dbraw/zinc/37/94/58/734379458.db2.gz QOZLLORRARUVPY-UHFFFAOYSA-N 0 1 360.639 2.840 20 10 FFCDMN COC(=O)c1c(CNCC[S@@](=O)C(C)(C)C)c2cc(F)ccc2n1C ZINC000894283485 734830336 /nfs/dbraw/zinc/83/03/36/734830336.db2.gz GIBZVAWQNQBEIU-RUZDIDTESA-N 0 1 368.474 2.741 20 10 FFCDMN COC(=O)[C@H](CC(F)F)NCc1cc(Br)cc(F)c1O ZINC000894537603 734876314 /nfs/dbraw/zinc/87/63/14/734876314.db2.gz FHBZGDWQECJFAT-VIFPVBQESA-N 0 1 356.138 2.580 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895334609 734992255 /nfs/dbraw/zinc/99/22/55/734992255.db2.gz JWLWVMREICPQNZ-LLVKDONJSA-N 0 1 371.250 2.738 20 10 FFCDMN Oc1ccc2ccncc2c1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000738232808 735025423 /nfs/dbraw/zinc/02/54/23/735025423.db2.gz CNBGIANAEQCIRU-UHFFFAOYSA-N 0 1 357.351 2.958 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1[O-] ZINC000895846892 735063771 /nfs/dbraw/zinc/06/37/71/735063771.db2.gz RNYSUQNDOSOSMZ-LBPRGKRZSA-N 0 1 354.712 2.701 20 10 FFCDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1O ZINC000895864360 735066776 /nfs/dbraw/zinc/06/67/76/735066776.db2.gz ODBPTDNJKGLVFU-JSGCOSHPSA-N 0 1 372.259 2.745 20 10 FFCDMN C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000754121862 736128392 /nfs/dbraw/zinc/12/83/92/736128392.db2.gz GKZMAVHCCZGQFT-CQSZACIVSA-N 0 1 354.878 2.980 20 10 FFCDMN CCn1cc([C@H]2C[S@](=O)CCN2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000754155594 736131462 /nfs/dbraw/zinc/13/14/62/736131462.db2.gz YKAUSPUTLFOYPS-JBEBIEQOSA-N 0 1 371.865 2.707 20 10 FFCDMN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000754155596 736131483 /nfs/dbraw/zinc/13/14/83/736131483.db2.gz YKAUSPUTLFOYPS-LFPIHBKWSA-N 0 1 371.865 2.707 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903981513 736199136 /nfs/dbraw/zinc/19/91/36/736199136.db2.gz DUQZGPCMAVYTHD-MWLCHTKSSA-N 0 1 353.182 2.785 20 10 FFCDMN O=C(NCCC[NH+]1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765454524 737120773 /nfs/dbraw/zinc/12/07/73/737120773.db2.gz YLXCLARDUGHKKF-UHFFFAOYSA-N 0 1 370.291 2.830 20 10 FFCDMN C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369107 737195538 /nfs/dbraw/zinc/19/55/38/737195538.db2.gz NFKNGBXIBOVERP-DOMZBBRYSA-N 0 1 368.861 2.627 20 10 FFCDMN O=C([O-])CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368485 737195627 /nfs/dbraw/zinc/19/56/27/737195627.db2.gz BVARMQLKGSESOU-OAHLLOKOSA-N 0 1 368.861 2.771 20 10 FFCDMN Oc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)[C@@H](O)CO2 ZINC000768438631 737423210 /nfs/dbraw/zinc/42/32/10/737423210.db2.gz WECFPBWQMSVHDP-SFHVURJKSA-N 0 1 360.841 2.794 20 10 FFCDMN Cc1cnc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000769458740 737531879 /nfs/dbraw/zinc/53/18/79/737531879.db2.gz ZPCGDPUVFRIVHW-UHFFFAOYSA-N 0 1 358.511 2.610 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CCCc3nccs3)cc2)CC1 ZINC000918852656 737829504 /nfs/dbraw/zinc/82/95/04/737829504.db2.gz UHOSYLIOYBOPCI-UHFFFAOYSA-N 0 1 358.511 2.534 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000775287212 738078679 /nfs/dbraw/zinc/07/86/79/738078679.db2.gz VKTOUZXHXOBMGS-UHFFFAOYSA-N 0 1 359.762 2.772 20 10 FFCDMN CC(C)(C)OCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000778390306 738379381 /nfs/dbraw/zinc/37/93/81/738379381.db2.gz NOGKTUZUHSUTAR-HNNXBMFYSA-N 0 1 354.878 2.941 20 10 FFCDMN CN(Cc1ncnn1CC(F)F)Cc1cccc(Br)c1O ZINC000787333903 739128565 /nfs/dbraw/zinc/12/85/65/739128565.db2.gz ACJOPJGLEAYRSV-UHFFFAOYSA-N 0 1 361.190 2.643 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 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FFCDMN CCO[C@H]1COCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805280601 740956449 /nfs/dbraw/zinc/95/64/49/740956449.db2.gz KSPRJMJCZRGLAU-STQMWFEESA-N 0 1 363.241 2.692 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(=O)NC2CC2)CCC1 ZINC000807839633 741163528 /nfs/dbraw/zinc/16/35/28/741163528.db2.gz QPYHSIOPYPHWSF-UHFFFAOYSA-N 0 1 357.237 2.764 20 10 FFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000808711342 741254815 /nfs/dbraw/zinc/25/48/15/741254815.db2.gz CJKVFTYWIARSKB-VNBZBWLYSA-N 0 1 365.861 2.725 20 10 FFCDMN C[C@H](O)c1ncc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000809609923 741321253 /nfs/dbraw/zinc/32/12/53/741321253.db2.gz RWRHFRYLUPIIAS-LBPRGKRZSA-N 0 1 365.474 2.586 20 10 FFCDMN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000809779493 741342651 /nfs/dbraw/zinc/34/26/51/741342651.db2.gz OYFPOOHVCJCBGH-ZDUSSCGKSA-N 0 1 357.248 2.865 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc2F)CC1 ZINC000815492672 741939617 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[O-]c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000826016739 743356482 /nfs/dbraw/zinc/35/64/82/743356482.db2.gz LHAVRYVTYJMKTA-INIZCTEOSA-N 0 1 370.287 2.812 20 10 FFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1Cl ZINC000826036455 743360391 /nfs/dbraw/zinc/36/03/91/743360391.db2.gz KEELDLDBZKDJFW-CYBMUJFWSA-N 0 1 358.866 2.671 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1Cl ZINC000826036455 743360399 /nfs/dbraw/zinc/36/03/99/743360399.db2.gz KEELDLDBZKDJFW-CYBMUJFWSA-N 0 1 358.866 2.671 20 10 FFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849717 744989764 /nfs/dbraw/zinc/98/97/64/744989764.db2.gz JAAHMZRYQARYGX-SKDRFNHKSA-N 0 1 350.768 2.935 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000833566105 745788204 /nfs/dbraw/zinc/78/82/04/745788204.db2.gz QZMSNTDZMMNVND-INIZCTEOSA-N 0 1 361.511 2.732 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)ccc2O)CCCO1 ZINC000835080734 745946723 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CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000151206277 984209810 /nfs/dbraw/zinc/20/98/10/984209810.db2.gz MZEHPSFOGJHFOB-CALCHBBNSA-N 0 1 358.482 2.659 20 10 FFCDMN C[C@@H]1CN(c2ccc(CNCc3c4c(nn3C)CCC4)cc2F)C[C@H](C)O1 ZINC000921553901 985305825 /nfs/dbraw/zinc/30/58/25/985305825.db2.gz YJPPWIMMMLGICA-GASCZTMLSA-N 0 1 372.488 2.951 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)C3CCCC3)CC2)cc1 ZINC000172304140 985512193 /nfs/dbraw/zinc/51/21/93/985512193.db2.gz GBQXGUIHJKBTHQ-UHFFFAOYSA-N 0 1 374.529 2.791 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000174201896 986117399 /nfs/dbraw/zinc/11/73/99/986117399.db2.gz UBKIUFUPFJTBCA-LJQANCHMSA-N 0 1 367.493 2.888 20 10 FFCDMN COc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1F ZINC000879235690 1015427128 /nfs/dbraw/zinc/42/71/28/1015427128.db2.gz RBXICATYTQEEJJ-UHFFFAOYSA-N 0 1 372.444 2.908 20 10 FFCDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181820009 991890492 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COc1cccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000073785410 507955897 /nfs/dbraw/zinc/95/58/97/507955897.db2.gz VYDHGJJHTHROJZ-MRXNPFEDSA-N 0 1 361.417 2.642 20 10 FFCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706151 508096488 /nfs/dbraw/zinc/09/64/88/508096488.db2.gz UBNOLJHQFCGQSS-LBPRGKRZSA-N 0 1 369.849 2.938 20 10 FFCDMN CCOC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000226036502 509395035 /nfs/dbraw/zinc/39/50/35/509395035.db2.gz VGUZJHMVTQRWNZ-UHFFFAOYSA-N 0 1 357.248 2.865 20 10 FFCDMN COc1ccc(O)c(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000179674380 509568779 /nfs/dbraw/zinc/56/87/79/509568779.db2.gz PJQYGZAAHUTTHK-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185029540 510644099 /nfs/dbraw/zinc/64/40/99/510644099.db2.gz YVNQUCHIOGIDMB-CQSZACIVSA-N 0 1 350.484 2.868 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288784 510916518 /nfs/dbraw/zinc/91/65/18/510916518.db2.gz LNNSRRBHCURCRK-LJQANCHMSA-N 0 1 358.394 2.623 20 10 FFCDMN CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)CC1 ZINC000276596739 510943264 /nfs/dbraw/zinc/94/32/64/510943264.db2.gz NTTYIYYNTRRNKZ-CQSZACIVSA-N 0 1 350.434 2.821 20 10 FFCDMN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277322497 510960773 /nfs/dbraw/zinc/96/07/73/510960773.db2.gz DPFOINIFWHVHJT-CHWSQXEVSA-N 0 1 370.291 2.827 20 10 FFCDMN C[NH+]1CCC(CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277411773 510962302 /nfs/dbraw/zinc/96/23/02/510962302.db2.gz KNXNEGCDULUOMD-UHFFFAOYSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@H](CN1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000271142296 511095375 /nfs/dbraw/zinc/09/53/75/511095375.db2.gz SLSBTQWTMFZUEL-GOSISDBHSA-N 0 1 359.514 2.604 20 10 FFCDMN Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)[nH]1 ZINC000271277103 511147033 /nfs/dbraw/zinc/14/70/33/511147033.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000271277103 511147039 /nfs/dbraw/zinc/14/70/39/511147039.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000271277103 511147044 /nfs/dbraw/zinc/14/70/44/511147044.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n[nH]1 ZINC000271277103 511147048 /nfs/dbraw/zinc/14/70/48/511147048.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n[nH]1 ZINC000271277103 511147058 /nfs/dbraw/zinc/14/70/58/511147058.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 1 351.794 2.760 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C(F)(F)F ZINC000291696013 511301861 /nfs/dbraw/zinc/30/18/61/511301861.db2.gz YNAHCVULDVPSDU-JTQLQIEISA-N 0 1 350.768 2.936 20 10 FFCDMN COc1ccc([C@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1OC ZINC000299465986 511646688 /nfs/dbraw/zinc/64/66/88/511646688.db2.gz BJFWBTOZYWTZRU-INIZCTEOSA-N 0 1 373.453 2.512 20 10 FFCDMN COc1ccc(CN2CCCN(Cc3cccc(OC)c3O)CC2=O)cc1 ZINC000274330183 511796439 /nfs/dbraw/zinc/79/64/39/511796439.db2.gz CSPQANVEHSJPKA-UHFFFAOYSA-N 0 1 370.449 2.644 20 10 FFCDMN CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760502 511933258 /nfs/dbraw/zinc/93/32/58/511933258.db2.gz JZLGBJWKBALNIA-KBPBESRZSA-N 0 1 354.248 2.663 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274873655 511972257 /nfs/dbraw/zinc/97/22/57/511972257.db2.gz GFXNPXBOVWTGNX-ZFWWWQNUSA-N 0 1 354.248 2.663 20 10 FFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507058 511990550 /nfs/dbraw/zinc/99/05/50/511990550.db2.gz AJDZZNBRXLPZEA-MEDUHNTESA-N 0 1 353.825 2.864 20 10 FFCDMN c1csc([C@H](NCc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)c1 ZINC000293641661 512036706 /nfs/dbraw/zinc/03/67/06/512036706.db2.gz IBRLCZKXHGRLCB-KRWDZBQOSA-N 0 1 355.467 2.582 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCOC2)C1 ZINC000435549341 513615028 /nfs/dbraw/zinc/61/50/28/513615028.db2.gz KDCYCBBOZNRCMM-QGZVFWFLSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCOC2)C1 ZINC000435549341 513615032 /nfs/dbraw/zinc/61/50/32/513615032.db2.gz KDCYCBBOZNRCMM-QGZVFWFLSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCOC2)C1 ZINC000435871800 513704757 /nfs/dbraw/zinc/70/47/57/513704757.db2.gz UZWPZYDVWNVTBQ-MRXNPFEDSA-N 0 1 355.482 2.703 20 10 FFCDMN COCCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000529391669 517122148 /nfs/dbraw/zinc/12/21/48/517122148.db2.gz ITSKRVINQPPTBW-UHFFFAOYSA-N 0 1 358.225 2.862 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ncccn2)C1 ZINC000574722593 519298278 /nfs/dbraw/zinc/29/82/78/519298278.db2.gz WJLJNROZGSAICU-UHFFFAOYSA-N 0 1 363.465 2.861 20 10 FFCDMN COc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1O ZINC000833735036 604636992 /nfs/dbraw/zinc/63/69/92/604636992.db2.gz AVPRSHVLOROREQ-UHFFFAOYSA-N 0 1 351.786 2.847 20 10 FFCDMN C[S@@](=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154690181 728810003 /nfs/dbraw/zinc/81/00/03/728810003.db2.gz YCQOWDNPXSQDCK-NLFFAJNJSA-N 0 1 358.507 2.733 20 10 FFCDMN Cc1ccc(O)c(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000092453966 728467452 /nfs/dbraw/zinc/46/74/52/728467452.db2.gz HUOUDUAYCWECLW-UHFFFAOYSA-N 0 1 360.479 2.597 20 10 FFCDMN Cc1cccc(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000179841763 729197208 /nfs/dbraw/zinc/19/72/08/729197208.db2.gz MBXWQWOZMLMMSH-UHFFFAOYSA-N 0 1 360.479 2.597 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3ccc4c(c3)CCO4)SC2=S)CC1 ZINC000255416559 729639637 /nfs/dbraw/zinc/63/96/37/729639637.db2.gz BHUSBSTUWSWLEI-LFIBNONCSA-N 0 1 360.504 2.917 20 10 FFCDMN COc1ccccc1[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858104917 730416704 /nfs/dbraw/zinc/41/67/04/730416704.db2.gz CMKPNPAXJZVUKD-OAHLLOKOSA-N 0 1 352.228 2.987 20 10 FFCDMN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000858158288 730418182 /nfs/dbraw/zinc/41/81/82/730418182.db2.gz DPSUXIKRFBLZGK-ZBFHGGJFSA-N 0 1 358.276 2.810 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000862253780 730682676 /nfs/dbraw/zinc/68/26/76/730682676.db2.gz SJRMTMNYWDAFBW-LBPRGKRZSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000862253780 730682677 /nfs/dbraw/zinc/68/26/77/730682677.db2.gz SJRMTMNYWDAFBW-LBPRGKRZSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000862385022 730695286 /nfs/dbraw/zinc/69/52/86/730695286.db2.gz NUPHIGMQBACICD-LALPHHSUSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000862385022 730695291 /nfs/dbraw/zinc/69/52/91/730695291.db2.gz NUPHIGMQBACICD-LALPHHSUSA-N 0 1 356.260 2.517 20 10 FFCDMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000647147079 730720383 /nfs/dbraw/zinc/72/03/83/730720383.db2.gz JTKJJLHBRCRIBR-AWEZNQCLSA-N 0 1 354.435 2.686 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865683948 730985483 /nfs/dbraw/zinc/98/54/83/730985483.db2.gz ZZTAUAULEZNHAV-LLVKDONJSA-N 0 1 365.153 2.639 20 10 FFCDMN CC[C@@H](NCc1c(I)cnn1C)c1ccccc1O ZINC000866631829 731081777 /nfs/dbraw/zinc/08/17/77/731081777.db2.gz SCDCNJMCXGBFSU-GFCCVEGCSA-N 0 1 371.222 2.971 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)cc1 ZINC000878346313 732517794 /nfs/dbraw/zinc/51/77/94/732517794.db2.gz HNSCGEPYOBUYAU-UHFFFAOYSA-N 0 1 350.369 2.708 20 10 FFCDMN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781909669 738671059 /nfs/dbraw/zinc/67/10/59/738671059.db2.gz JWMHVNYCHSMUIY-ZDUSSCGKSA-N 0 1 355.276 2.763 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1[O-] ZINC000927146420 738696301 /nfs/dbraw/zinc/69/63/01/738696301.db2.gz NTHOQTYIDGSIIA-YPMHNXCESA-N 0 1 365.275 2.881 20 10 FFCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(Br)cc1[O-] ZINC000927156838 738698149 /nfs/dbraw/zinc/69/81/49/738698149.db2.gz RYQDZBJYWCNNSX-VQISRLSMSA-N 0 1 356.260 2.735 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366367 733374298 /nfs/dbraw/zinc/37/42/98/733374298.db2.gz RVKMAWCRPPPWAA-SECBINFHSA-N 0 1 364.108 2.803 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCCCC(F)(F)F)cc2)CC1 ZINC000889665442 734206198 /nfs/dbraw/zinc/20/61/98/734206198.db2.gz OOKXYJFDOHAMGW-UHFFFAOYSA-N 0 1 358.408 2.580 20 10 FFCDMN Cc1ncsc1/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608165 734726082 /nfs/dbraw/zinc/72/60/82/734726082.db2.gz QFUBHJMQSIIDSA-BQYQJAHWSA-N 0 1 356.495 2.533 20 10 FFCDMN C[N@H+](CC(=O)NCc1ccco1)Cc1cc(Br)cc(F)c1[O-] ZINC000893906141 734770106 /nfs/dbraw/zinc/77/01/06/734770106.db2.gz VZHKOPQIINJGEH-UHFFFAOYSA-N 0 1 371.206 2.635 20 10 FFCDMN C[N@@H+](CC(=O)NCc1ccco1)Cc1cc(Br)cc(F)c1[O-] ZINC000893906141 734770108 /nfs/dbraw/zinc/77/01/08/734770108.db2.gz VZHKOPQIINJGEH-UHFFFAOYSA-N 0 1 371.206 2.635 20 10 FFCDMN COc1ccc(C[N@@H+](CCO)Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000894020323 734787518 /nfs/dbraw/zinc/78/75/18/734787518.db2.gz IQBKWDZZROVEFG-UHFFFAOYSA-N 0 1 353.365 2.682 20 10 FFCDMN OC1CCN(c2ccc(CNc3nc(Cl)nc4[nH]cnc43)cc2)CC1 ZINC000894613645 734889309 /nfs/dbraw/zinc/88/93/09/734889309.db2.gz NZJPYJZPUWKTNS-UHFFFAOYSA-N 0 1 358.833 2.531 20 10 FFCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895228163 734976306 /nfs/dbraw/zinc/97/63/06/734976306.db2.gz JFBRSUALRVTPBK-JTQLQIEISA-N 0 1 371.666 2.922 20 10 FFCDMN CCc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n[nH]1 ZINC000736652539 734991842 /nfs/dbraw/zinc/99/18/42/734991842.db2.gz ANKWEJIOOJZIEZ-UHFFFAOYSA-N 0 1 359.499 2.525 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722465 735047906 /nfs/dbraw/zinc/04/79/06/735047906.db2.gz WGPHXXCXTKIJHS-CQSZACIVSA-N 0 1 356.260 2.518 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722465 735047908 /nfs/dbraw/zinc/04/79/08/735047908.db2.gz WGPHXXCXTKIJHS-CQSZACIVSA-N 0 1 356.260 2.518 20 10 FFCDMN C[C@@]1(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)COC(=O)N1 ZINC000896471342 735166794 /nfs/dbraw/zinc/16/67/94/735166794.db2.gz HYWWIPYLKAILRH-INIZCTEOSA-N 0 1 369.259 2.865 20 10 FFCDMN Cc1cc(CC(=O)NCCc2nc[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000748366129 735638795 /nfs/dbraw/zinc/63/87/95/735638795.db2.gz ZKKWVUKIRZJWMA-UHFFFAOYSA-N 0 1 357.845 2.767 20 10 FFCDMN COc1cc(Cl)cc(CNCc2ccc(S(C)(=O)=O)s2)c1O ZINC000787426601 739135781 /nfs/dbraw/zinc/13/57/81/739135781.db2.gz OZYYSLIHLGAQAX-UHFFFAOYSA-N 0 1 361.872 2.809 20 10 FFCDMN COC1CCN(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756640372 736349163 /nfs/dbraw/zinc/34/91/63/736349163.db2.gz AGYFHQKNFXHVCV-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000757958077 736439970 /nfs/dbraw/zinc/43/99/70/736439970.db2.gz RQYKUTHWECHSIB-UHFFFAOYSA-N 0 1 370.814 2.517 20 10 FFCDMN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805036209 740929027 /nfs/dbraw/zinc/92/90/27/740929027.db2.gz AJTGRDZBNXNYFD-BDAKNGLRSA-N 0 1 362.257 2.801 20 10 FFCDMN CN(Cc1ccc(Br)o1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441157 737423008 /nfs/dbraw/zinc/42/30/08/737423008.db2.gz WKEJIORXWVOSIC-ZDUSSCGKSA-N 0 1 354.200 2.806 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cnc(Cl)n2C)ccc1O ZINC000811704499 741549652 /nfs/dbraw/zinc/54/96/52/741549652.db2.gz DBYNKROUJTZGLK-UHFFFAOYSA-N 0 1 359.835 2.505 20 10 FFCDMN CO[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416595 737724812 /nfs/dbraw/zinc/72/48/12/737724812.db2.gz IIIFDQKQMPPGAL-WBVHZDCISA-N 0 1 354.878 2.797 20 10 FFCDMN Cc1csc([C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000918852464 737829551 /nfs/dbraw/zinc/82/95/51/737829551.db2.gz OOSNEXWXBNTGLD-OAHLLOKOSA-N 0 1 358.511 2.623 20 10 FFCDMN COc1c([O-])c(C[N@H+](C)CCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774820677 738029929 /nfs/dbraw/zinc/02/99/29/738029929.db2.gz FJJGNMFNKQRYKQ-UHFFFAOYSA-N 0 1 350.346 2.959 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)CCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774820677 738029932 /nfs/dbraw/zinc/02/99/32/738029932.db2.gz FJJGNMFNKQRYKQ-UHFFFAOYSA-N 0 1 350.346 2.959 20 10 FFCDMN CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000775501092 738097936 /nfs/dbraw/zinc/09/79/36/738097936.db2.gz ZMRNLGNPBQREIZ-OAHLLOKOSA-N 0 1 360.907 2.758 20 10 FFCDMN CCN(CCNC(=O)NCc1c(O)cccc1F)CCC(F)(F)F ZINC000922187612 738102725 /nfs/dbraw/zinc/10/27/25/738102725.db2.gz KONYQTRFQQVDFR-UHFFFAOYSA-N 0 1 351.344 2.605 20 10 FFCDMN CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)[C@@H](CC)CN1C(C)=O ZINC000775721338 738117440 /nfs/dbraw/zinc/11/74/40/738117440.db2.gz WEKZQYDUMKDAOA-JKSUJKDBSA-N 0 1 350.459 2.631 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000776015247 738152678 /nfs/dbraw/zinc/15/26/78/738152678.db2.gz ASLNXVGHDSJMBS-ZDUSSCGKSA-N 0 1 356.850 2.771 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000789764915 739385872 /nfs/dbraw/zinc/38/58/72/739385872.db2.gz KXLVNCXIKJMKBO-CYBMUJFWSA-N 0 1 357.292 2.616 20 10 FFCDMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2)c1OC ZINC000790048999 739412669 /nfs/dbraw/zinc/41/26/69/739412669.db2.gz DFCZXVWUCSWBSE-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000790415486 739450782 /nfs/dbraw/zinc/45/07/82/739450782.db2.gz GMLSCLJURWEQHZ-UHFFFAOYSA-N 0 1 364.423 2.722 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000792186815 739648481 /nfs/dbraw/zinc/64/84/81/739648481.db2.gz QXYGIMFOVOMJHE-CYBMUJFWSA-N 0 1 353.260 2.660 20 10 FFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363218 739773799 /nfs/dbraw/zinc/77/37/99/739773799.db2.gz RGKXKXDXHKVBDL-CJNGLKHVSA-N 0 1 356.260 2.925 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)c1[O-] ZINC000794716182 739923368 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NC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806360800 741055084 /nfs/dbraw/zinc/05/50/84/741055084.db2.gz CRAGIGHPTJVBMY-UHFFFAOYSA-N 0 1 355.181 2.515 20 10 FFCDMN Cc1ccncc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512005 741138028 /nfs/dbraw/zinc/13/80/28/741138028.db2.gz HXUJZYBRJDDBTD-UHFFFAOYSA-N 0 1 354.193 2.657 20 10 FFCDMN CCCn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807513599 741138162 /nfs/dbraw/zinc/13/81/62/741138162.db2.gz QLCIVNPXBZFRRX-UHFFFAOYSA-N 0 1 371.224 2.560 20 10 FFCDMN Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807513874 741138230 /nfs/dbraw/zinc/13/82/30/741138230.db2.gz XNRXRZKNMNWPEZ-UHFFFAOYSA-N 0 1 354.193 2.657 20 10 FFCDMN Cn1cc(-c2n[nH]cc2C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807838996 741163286 /nfs/dbraw/zinc/16/32/86/741163286.db2.gz FEQDZEQRQDKKBT-UHFFFAOYSA-N 0 1 366.208 2.753 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)NC(=O)CO2 ZINC000807839837 741163533 /nfs/dbraw/zinc/16/35/33/741163533.db2.gz RQUFGZMUVGHAGZ-UHFFFAOYSA-N 0 1 367.188 2.960 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000809771733 741341944 /nfs/dbraw/zinc/34/19/44/741341944.db2.gz NUMDZXJBHYGLOQ-ZDUSSCGKSA-N 0 1 367.287 2.907 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000809771732 741342003 /nfs/dbraw/zinc/34/20/03/741342003.db2.gz NUMDZXJBHYGLOQ-CYBMUJFWSA-N 0 1 367.287 2.907 20 10 FFCDMN Cn1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C(F)F)n1 ZINC000812219847 741597519 /nfs/dbraw/zinc/59/75/19/741597519.db2.gz QQZYDMMSLZBXJO-YRNVUSSQSA-N 0 1 372.466 2.653 20 10 FFCDMN CCCN1C[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000817172961 742100919 /nfs/dbraw/zinc/10/09/19/742100919.db2.gz KLDFOSASSMGKEM-JTQLQIEISA-N 0 1 374.268 2.757 20 10 FFCDMN O=C(C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1)N1CCCC1 ZINC000824542018 743101811 /nfs/dbraw/zinc/10/18/11/743101811.db2.gz NONQCEMKEBDPSI-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000825352586 743255070 /nfs/dbraw/zinc/25/50/70/743255070.db2.gz HFBFGAPHIMNAGJ-CQSZACIVSA-N 0 1 356.260 2.973 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@H]1n1cccn1 ZINC000826024109 743357204 /nfs/dbraw/zinc/35/72/04/743357204.db2.gz RHTUXUWCMBYODV-NUEKZKHPSA-N 0 1 366.259 2.860 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000826846669 743454230 /nfs/dbraw/zinc/45/42/30/743454230.db2.gz XHYZLZZUHNQOLI-GFCCVEGCSA-N 0 1 351.248 2.577 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544859 743598558 /nfs/dbraw/zinc/59/85/58/743598558.db2.gz MNYXONVDNZXWFV-CQSZACIVSA-N 0 1 370.291 2.651 20 10 FFCDMN CN1CCN(c2ccc(CN3CCO[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000827785720 744977394 /nfs/dbraw/zinc/97/73/94/744977394.db2.gz DNFYHYBJNHBPAH-QGZVFWFLSA-N 0 1 357.420 2.592 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000829296682 745189807 /nfs/dbraw/zinc/18/98/07/745189807.db2.gz LWWTYTHEJVCKCQ-INIZCTEOSA-N 0 1 351.441 2.880 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[O-] ZINC000830106130 745307983 /nfs/dbraw/zinc/30/79/83/745307983.db2.gz SCEGFMIOONGVQV-GFCCVEGCSA-N 0 1 352.818 2.522 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[O-] ZINC000830106130 745307989 /nfs/dbraw/zinc/30/79/89/745307989.db2.gz SCEGFMIOONGVQV-GFCCVEGCSA-N 0 1 352.818 2.522 20 10 FFCDMN NC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838784819 746712552 /nfs/dbraw/zinc/71/25/52/746712552.db2.gz UYDYCZGXIMQQIU-CQSZACIVSA-N 0 1 366.303 2.747 20 10 FFCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000840780849 747182086 /nfs/dbraw/zinc/18/20/86/747182086.db2.gz ONHMRFDKQVSYGQ-CQSZACIVSA-N 0 1 354.878 2.578 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(Cl)c1 ZINC000840886479 747212607 /nfs/dbraw/zinc/21/26/07/747212607.db2.gz XINSGFXQFDGDPR-UHFFFAOYSA-N 0 1 368.886 2.563 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(Cl)c1 ZINC000840906720 747220266 /nfs/dbraw/zinc/22/02/66/747220266.db2.gz LNMMCSHEPZZCKE-UHFFFAOYSA-N 0 1 351.855 2.974 20 10 FFCDMN Cc1cc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)c(Cl)c1 ZINC000840906720 747220269 /nfs/dbraw/zinc/22/02/69/747220269.db2.gz LNMMCSHEPZZCKE-UHFFFAOYSA-N 0 1 351.855 2.974 20 10 FFCDMN CC(C)[C@@H](N)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030512 747259097 /nfs/dbraw/zinc/25/90/97/747259097.db2.gz MCJKKRIRTHXKPN-NSHDSACASA-N 0 1 366.097 2.990 20 10 FFCDMN [NH3+]CC(F)(F)CNCc1cc(Br)cc(Br)c1[O-] ZINC000841059569 747261804 /nfs/dbraw/zinc/26/18/04/747261804.db2.gz FZXQHHWTHZUONE-UHFFFAOYSA-N 0 1 374.023 2.601 20 10 FFCDMN [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000841993840 747498413 /nfs/dbraw/zinc/49/84/13/747498413.db2.gz BIIFGYXCXBFQMP-HAQNSBGRSA-N 0 1 370.291 2.719 20 10 FFCDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(Br)cc1[O-] ZINC000842918755 747720747 /nfs/dbraw/zinc/72/07/47/747720747.db2.gz IOGLATLHVNDFKM-BZNIZROVSA-N 0 1 358.276 2.983 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]C(C)C)CC2)c1[O-] ZINC000846946253 748582669 /nfs/dbraw/zinc/58/26/69/748582669.db2.gz SCISMUWFNMMQRH-UHFFFAOYSA-N 0 1 354.878 2.573 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836765 1013055850 /nfs/dbraw/zinc/05/58/50/1013055850.db2.gz GLHFERDXAXEHOB-KUHUBIRLSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836765 1013055865 /nfs/dbraw/zinc/05/58/65/1013055865.db2.gz GLHFERDXAXEHOB-KUHUBIRLSA-N 0 1 366.889 2.895 20 10 FFCDMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840327658 971083162 /nfs/dbraw/zinc/08/31/62/971083162.db2.gz BYVIHHIQKNIAJN-LSDHHAIUSA-N 0 1 357.502 2.954 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cccc2Cl)N1Cc1ncccn1 ZINC001275837839 1013061943 /nfs/dbraw/zinc/06/19/43/1013061943.db2.gz OBEKBQHOZYLYBA-HZPDHXFCSA-N 0 1 372.856 2.601 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2Cl)N1Cc1ncccn1 ZINC001275837839 1013061930 /nfs/dbraw/zinc/06/19/30/1013061930.db2.gz OBEKBQHOZYLYBA-HZPDHXFCSA-N 0 1 372.856 2.601 20 10 FFCDMN Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)c(C)n1-c1cccc(C)c1 ZINC000189432679 971585298 /nfs/dbraw/zinc/58/52/98/971585298.db2.gz DXQSBHXYNFBEFW-UHFFFAOYSA-N 0 1 355.482 2.855 20 10 FFCDMN Cc1cc(C(=O)NCCN2CCCOCC2)c(C)n1-c1cccc(C)c1 ZINC000189432679 971585304 /nfs/dbraw/zinc/58/53/04/971585304.db2.gz DXQSBHXYNFBEFW-UHFFFAOYSA-N 0 1 355.482 2.855 20 10 FFCDMN Cc1ncsc1CN1CC2(C1)CCCN(Cc1ccc(O)c(O)c1)C2 ZINC001279142459 972507094 /nfs/dbraw/zinc/50/70/94/972507094.db2.gz UPMXBXSVQILSPM-UHFFFAOYSA-N 0 1 359.495 2.961 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[NH+](C)C)cc1 ZINC000891247103 962567746 /nfs/dbraw/zinc/56/77/46/962567746.db2.gz DXCILPNXVZYEGL-OAHLLOKOSA-N 0 1 363.408 2.769 20 10 FFCDMN CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177238 1013359003 /nfs/dbraw/zinc/35/90/03/1013359003.db2.gz HYHQSPBYFOBOGB-IKGGRYGDSA-N 0 1 373.457 2.609 20 10 FFCDMN O=C1N(CC2CCOCC2)CC[C@]12CCCN2Cc1cc(F)ccc1O ZINC001276064592 1013386913 /nfs/dbraw/zinc/38/69/13/1013386913.db2.gz UTGRBPPMEGVZIR-HXUWFJFHSA-N 0 1 362.445 2.525 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccccc3N3CCOCC3)cc2)CC1 ZINC001167436933 963265494 /nfs/dbraw/zinc/26/54/94/963265494.db2.gz HRUGAPVIOJRIRB-UHFFFAOYSA-N 0 1 366.509 2.887 20 10 FFCDMN CN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001276085415 1013431334 /nfs/dbraw/zinc/43/13/34/1013431334.db2.gz ICIQSCZVKGWOKD-UTKZUKDTSA-N 0 1 354.425 2.979 20 10 FFCDMN COC1CCN(c2ccc(CN3CCOC[C@H]3C[C@H]3CCOC3)cc2)CC1 ZINC000933664928 965049268 /nfs/dbraw/zinc/04/92/68/965049268.db2.gz HWTHZZRARYHETQ-TZIWHRDSSA-N 0 1 374.525 2.929 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccc[nH]3)cc2F)CC1 ZINC000588548536 966994927 /nfs/dbraw/zinc/99/49/27/966994927.db2.gz DTIAWHBXGRUBTP-VURMDHGXSA-N 0 1 356.445 2.625 20 10 FFCDMN CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)COCc2ccccc2)c1O ZINC000177283997 969160101 /nfs/dbraw/zinc/16/01/01/969160101.db2.gz YXCBXCSFQDENKE-GOSISDBHSA-N 0 1 361.413 2.743 20 10 FFCDMN CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000066155432 969284212 /nfs/dbraw/zinc/28/42/12/969284212.db2.gz WPOCAEDZNWBELI-UHFFFAOYSA-N 0 1 369.513 2.501 20 10 FFCDMN CN(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000066155432 969284220 /nfs/dbraw/zinc/28/42/20/969284220.db2.gz WPOCAEDZNWBELI-UHFFFAOYSA-N 0 1 369.513 2.501 20 10 FFCDMN COCCOc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000895452227 970634290 /nfs/dbraw/zinc/63/42/90/970634290.db2.gz YNMNKKHBWUVHOV-UHFFFAOYSA-N 0 1 360.454 2.556 20 10 FFCDMN CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000896980427 973114198 /nfs/dbraw/zinc/11/41/98/973114198.db2.gz RUJIESHGEZOORC-SFHVURJKSA-N 0 1 372.412 2.522 20 10 FFCDMN O=C(c1cc([O-])[nH]c(=O)c1)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001271801559 974351080 /nfs/dbraw/zinc/35/10/80/974351080.db2.gz KUQRFOWNOYVZTA-FQEVSTJZSA-N 0 1 359.470 2.754 20 10 FFCDMN COc1cccc([C@H](N)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000876731117 1014369737 /nfs/dbraw/zinc/36/97/37/1014369737.db2.gz OUQDBWPOCBLCFE-IBGZPJMESA-N 0 1 371.506 2.565 20 10 FFCDMN CC(C)COC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000054324466 979366779 /nfs/dbraw/zinc/36/67/79/979366779.db2.gz KUTIOOZPKSBUQZ-UHFFFAOYSA-N 0 1 361.530 2.848 20 10 FFCDMN CC[C@@H](F)CN1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623293 979725376 /nfs/dbraw/zinc/72/53/76/979725376.db2.gz OXMCJICAQZORIB-SQWLQELKSA-N 0 1 361.421 2.743 20 10 FFCDMN CN(C)c1ccc(CNC(=O)N2CC(N(C)Cc3ccccc3)C2)cc1 ZINC000796620046 1014742285 /nfs/dbraw/zinc/74/22/85/1014742285.db2.gz IQSYAWYWAWSEOY-UHFFFAOYSA-N 0 1 352.482 2.778 20 10 FFCDMN CC(=O)c1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000877927772 1014771201 /nfs/dbraw/zinc/77/12/01/1014771201.db2.gz DPOGMZHACKRARF-UHFFFAOYSA-N 0 1 366.465 2.963 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc[nH]3)cc2F)CC1 ZINC000760357144 982374282 /nfs/dbraw/zinc/37/42/82/982374282.db2.gz RDRUSRJNCRNCLP-HNNXBMFYSA-N 0 1 373.476 2.856 20 10 FFCDMN CCC[NH+](CCC)CCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527575 982581798 /nfs/dbraw/zinc/58/17/98/982581798.db2.gz ZSPDQSSELJTMDV-UHFFFAOYSA-N 0 1 355.473 2.910 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cc1 ZINC001116070966 1032107556 /nfs/dbraw/zinc/10/75/56/1032107556.db2.gz KSTDWKSAAKDPLD-UHFFFAOYSA-N 0 1 368.525 2.850 20 10 FFCDMN CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)[C@@H](C)C1 ZINC001596916593 985948135 /nfs/dbraw/zinc/94/81/35/985948135.db2.gz GHUGBTCZYWNNNJ-DAYGRLMNSA-N 0 1 364.486 2.878 20 10 FFCDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878779892 1015215945 /nfs/dbraw/zinc/21/59/45/1015215945.db2.gz CQUUNBTUMJLIJT-PTSWNOGYSA-N 0 1 369.465 2.989 20 10 FFCDMN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCN2CCSC[C@H]12 ZINC000914180482 987345206 /nfs/dbraw/zinc/34/52/06/987345206.db2.gz NVACWPKVGMGFIB-RBUKOAKNSA-N 0 1 374.554 2.666 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000917017141 990093536 /nfs/dbraw/zinc/09/35/36/990093536.db2.gz KMHUIONMSAZIKC-UHFFFAOYSA-N 0 1 371.441 2.623 20 10 FFCDMN COc1ccc(N2CCN(C[C@H](O)CCc3ccccc3)CC2)cc1F ZINC000182456652 992058528 /nfs/dbraw/zinc/05/85/28/992058528.db2.gz ANCUKDWZLGDEMU-LJQANCHMSA-N 0 1 358.457 2.950 20 10 FFCDMN COc1cc(C)cc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000184937319 993083678 /nfs/dbraw/zinc/08/36/78/993083678.db2.gz WMEHZEBAYGURST-UHFFFAOYSA-N 0 1 356.470 2.945 20 10 FFCDMN COc1ccc(N2CCC[N@@H+](CCOc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001599585669 993609924 /nfs/dbraw/zinc/60/99/24/993609924.db2.gz HOBNZCOXMZWFMJ-UHFFFAOYSA-N 0 1 370.449 2.985 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)C2)cc1 ZINC000880344204 1015811693 /nfs/dbraw/zinc/81/16/93/1015811693.db2.gz PODMOILIFFNXOM-STXHMFSFSA-N 0 1 368.481 2.727 20 10 FFCDMN COc1ccc(N2CCN(Cc3ccnn3-c3ccncc3)CC2)cc1F ZINC000824919974 997145348 /nfs/dbraw/zinc/14/53/48/997145348.db2.gz CRFPHOKDPQLGRZ-UHFFFAOYSA-N 0 1 367.428 2.737 20 10 FFCDMN COc1cc(C[N@H+](CC(=O)[O-])Cc2cccc(OC)c2O)cc(OC)c1 ZINC001599405814 997296034 /nfs/dbraw/zinc/29/60/34/997296034.db2.gz JOXPFZJHQBQAIM-UHFFFAOYSA-N 0 1 361.394 2.505 20 10 FFCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cccc(OC)c2O)cc(OC)c1 ZINC001599405814 997296044 /nfs/dbraw/zinc/29/60/44/997296044.db2.gz JOXPFZJHQBQAIM-UHFFFAOYSA-N 0 1 361.394 2.505 20 10 FFCDMN COc1cccc(C[NH+]2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000825504367 997403916 /nfs/dbraw/zinc/40/39/16/997403916.db2.gz ZFOCOFSYYZSRDM-UHFFFAOYSA-N 0 1 374.412 2.640 20 10 FFCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001144299114 998285493 /nfs/dbraw/zinc/28/54/93/998285493.db2.gz POZQCNHSYPEDQW-CQSZACIVSA-N 0 1 350.203 2.980 20 10 FFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001144306879 998301105 /nfs/dbraw/zinc/30/11/05/998301105.db2.gz VGVRPFDZRHXPIR-NSHDSACASA-N 0 1 355.211 2.722 20 10 FFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001144308841 998306476 /nfs/dbraw/zinc/30/64/76/998306476.db2.gz ZMPASAOLUZALPW-NSHDSACASA-N 0 1 368.206 2.737 20 10 FFCDMN CCOCc1nn(CC2CC2)c2c1CN(Cc1c(O)cc(O)cc1O)CC2 ZINC001144504173 998612109 /nfs/dbraw/zinc/61/21/09/998612109.db2.gz NESCVAVXEUCBGC-UHFFFAOYSA-N 0 1 373.453 2.505 20 10 FFCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1c(O)cc(O)cc1O ZINC001144504675 998613667 /nfs/dbraw/zinc/61/36/67/998613667.db2.gz ZBLMFFKCZJSWGJ-TXEJJXNPSA-N 0 1 352.431 2.633 20 10 FFCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1c(O)cc(O)cc1O ZINC001144515798 998627033 /nfs/dbraw/zinc/62/70/33/998627033.db2.gz ZBLMFFKCZJSWGJ-VXGBXAGGSA-N 0 1 352.431 2.633 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000741419045 999727366 /nfs/dbraw/zinc/72/73/66/999727366.db2.gz TZOIBSGBSZIFKY-GFCCVEGCSA-N 0 1 367.409 2.746 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000741419045 999727368 /nfs/dbraw/zinc/72/73/68/999727368.db2.gz TZOIBSGBSZIFKY-GFCCVEGCSA-N 0 1 367.409 2.746 20 10 FFCDMN CC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001169633564 1000064328 /nfs/dbraw/zinc/06/43/28/1000064328.db2.gz GIZGEXCQZKTGPO-MRXNPFEDSA-N 0 1 371.403 2.718 20 10 FFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@@H+](C1CC1)[C@@H]1CCc3ccccc31)cc2=O ZINC000846239790 1000240462 /nfs/dbraw/zinc/24/04/62/1000240462.db2.gz IJUBUSLRGZISKH-QGZVFWFLSA-N 0 1 364.405 2.785 20 10 FFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1CCc1ccccc1)cc2=O ZINC000846237292 1000241046 /nfs/dbraw/zinc/24/10/46/1000241046.db2.gz CMSVSERBAWUCDF-INIZCTEOSA-N 0 1 366.421 2.730 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000846441607 1000313998 /nfs/dbraw/zinc/31/39/98/1000313998.db2.gz ANZVPTACOOKHQB-UHFFFAOYSA-N 0 1 365.437 2.689 20 10 FFCDMN CCCC(=O)NC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768880642 1000373520 /nfs/dbraw/zinc/37/35/20/1000373520.db2.gz GGABSCKEOCCEMJ-UHFFFAOYSA-N 0 1 363.477 2.543 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/nfs/dbraw/zinc/29/21/66/1002292166.db2.gz IJXGNBBYKFDMCQ-UHFFFAOYSA-N 0 1 374.529 2.863 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000775023490 1003328115 /nfs/dbraw/zinc/32/81/15/1003328115.db2.gz LARHRMGKAIKVMO-SWLSCSKDSA-N 0 1 371.393 2.593 20 10 FFCDMN Oc1ccc(Br)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001203648813 1003480229 /nfs/dbraw/zinc/48/02/29/1003480229.db2.gz VROJELYZXXDGPU-CYBMUJFWSA-N 0 1 350.216 2.598 20 10 FFCDMN CCO[C@@H](C)c1noc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000775724725 1003839132 /nfs/dbraw/zinc/83/91/32/1003839132.db2.gz JUXIEPKUZRSPEP-INIZCTEOSA-N 0 1 373.501 2.551 20 10 FFCDMN COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193228982 1004429562 /nfs/dbraw/zinc/42/95/62/1004429562.db2.gz BZJPVWZHZQZAQQ-UHFFFAOYSA-N 0 1 361.741 2.666 20 10 FFCDMN COC(=O)c1nc2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)ccc2o1 ZINC001193624589 1004526339 /nfs/dbraw/zinc/52/63/39/1004526339.db2.gz FYQNJDSELZCCQV-UHFFFAOYSA-N 0 1 362.725 2.931 20 10 FFCDMN O=C(N[C@@H]1Cc2ccc(Cl)cc2NC1=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633869 1004531217 /nfs/dbraw/zinc/53/12/17/1004531217.db2.gz JOTDGIAYHIELSI-GFCCVEGCSA-N 0 1 367.188 2.698 20 10 FFCDMN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193602922 1004535925 /nfs/dbraw/zinc/53/59/25/1004535925.db2.gz ILHPPMFKTLFGSE-JTQLQIEISA-N 0 1 355.818 2.945 20 10 FFCDMN COc1cc2c(cc1CNCc1ccc(N3CCC(O)CC3)cc1)OCO2 ZINC000850406599 1005813681 /nfs/dbraw/zinc/81/36/81/1005813681.db2.gz MVVLAAQSDAHXHY-UHFFFAOYSA-N 0 1 370.449 2.675 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3c(F)cc(F)cc3F)cc2)CC1 ZINC000881850916 1006241630 /nfs/dbraw/zinc/24/16/30/1006241630.db2.gz KEMIYCJZHWOUPG-UHFFFAOYSA-N 0 1 363.383 2.786 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4ccc(F)cc43)cc2)CC1 ZINC000881854046 1006243915 /nfs/dbraw/zinc/24/39/15/1006243915.db2.gz SSPHVJZAHYEHGU-HXUWFJFHSA-N 0 1 353.441 2.534 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4ccc(F)cc43)cc2)CC1 ZINC000881854045 1006244008 /nfs/dbraw/zinc/24/40/08/1006244008.db2.gz SSPHVJZAHYEHGU-FQEVSTJZSA-N 0 1 353.441 2.534 20 10 FFCDMN CC(C)[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1cccnc1 ZINC000881853902 1006244392 /nfs/dbraw/zinc/24/43/92/1006244392.db2.gz NYRDGOWAMOYDDQ-OAQYLSRUSA-N 0 1 366.509 2.889 20 10 FFCDMN Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(C)n1-c1ccccn1 ZINC000130425081 1006549607 /nfs/dbraw/zinc/54/96/07/1006549607.db2.gz STUKAXAWUABOEV-UHFFFAOYSA-N 0 1 374.404 2.717 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)C3CCC3)cc2F)CC1 ZINC000130436266 1006551504 /nfs/dbraw/zinc/55/15/04/1006551504.db2.gz WJVAJDAWVRXSKV-OAHLLOKOSA-N 0 1 362.493 2.955 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)CC3CCC3)CC2)cc1 ZINC000111806751 1006624558 /nfs/dbraw/zinc/62/45/58/1006624558.db2.gz WERLQZFUQFLAFB-UHFFFAOYSA-N 0 1 374.529 2.649 20 10 FFCDMN Cc1csc([C@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000883312453 1006743387 /nfs/dbraw/zinc/74/33/87/1006743387.db2.gz DENGHXLJVXFJLV-HNNXBMFYSA-N 0 1 373.526 2.764 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000134238005 1007374842 /nfs/dbraw/zinc/37/48/42/1007374842.db2.gz JKTZWTUULYVGJW-KRWDZBQOSA-N 0 1 354.454 2.623 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)Cc3[nH]nc4ccccc43)C2)cc1 ZINC000819582483 1008181502 /nfs/dbraw/zinc/18/15/02/1008181502.db2.gz MIIBBAQBZGHZEH-OAHLLOKOSA-N 0 1 364.449 2.757 20 10 FFCDMN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000819586837 1008185041 /nfs/dbraw/zinc/18/50/41/1008185041.db2.gz UTZVUKCDFUGYJX-ZDUSSCGKSA-N 0 1 371.393 2.565 20 10 FFCDMN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](c4nc[nH]n4)C3)c2C)cc1 ZINC000819720785 1008218923 /nfs/dbraw/zinc/21/89/23/1008218923.db2.gz SHLFLEOAKOYRTG-HNNXBMFYSA-N 0 1 365.437 2.851 20 10 FFCDMN Cc1cc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC001136311316 1008301686 /nfs/dbraw/zinc/30/16/86/1008301686.db2.gz MLZDJNUWLRFFNR-GJZGRUSLSA-N 0 1 374.460 2.720 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000821331688 1008442473 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/nfs/dbraw/zinc/44/31/37/738443137.db2.gz NXUYXEIVENZZRU-GFCCVEGCSA-N 0 1 355.276 2.843 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000779459642 738466437 /nfs/dbraw/zinc/46/64/37/738466437.db2.gz FLKZITWNSGKERW-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000858164961 730418343 /nfs/dbraw/zinc/41/83/43/730418343.db2.gz JOHGYSUBRNEZOP-CZUORRHYSA-N 0 1 350.212 2.739 20 10 FFCDMN CNC(=O)OC[C@@H]1CCCCN1Cc1c(O)cccc1Br ZINC000862368514 730692979 /nfs/dbraw/zinc/69/29/79/730692979.db2.gz IRKUDAMMCIYWBN-NSHDSACASA-N 0 1 357.248 2.865 20 10 FFCDMN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862368514 730692980 /nfs/dbraw/zinc/69/29/80/730692980.db2.gz IRKUDAMMCIYWBN-NSHDSACASA-N 0 1 357.248 2.865 20 10 FFCDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862368514 730692983 /nfs/dbraw/zinc/69/29/83/730692983.db2.gz IRKUDAMMCIYWBN-NSHDSACASA-N 0 1 357.248 2.865 20 10 FFCDMN Cc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797422 731832911 /nfs/dbraw/zinc/83/29/11/731832911.db2.gz YTWGKMGFAWVIFP-ZBFHGGJFSA-N 0 1 351.512 2.865 20 10 FFCDMN OC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1C(F)(F)F ZINC000877693825 732415404 /nfs/dbraw/zinc/41/54/04/732415404.db2.gz RQSIEEWCMRDQID-GXSJLCMTSA-N 0 1 354.166 2.757 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2)CC1 ZINC000881852320 733120764 /nfs/dbraw/zinc/12/07/64/733120764.db2.gz LXHSLUJEEFNLTQ-UHFFFAOYSA-N 0 1 362.836 2.556 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000927134486 738695186 /nfs/dbraw/zinc/69/51/86/738695186.db2.gz IWJRHMMBUZHAFA-IUODEOHRSA-N 0 1 354.248 2.663 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000927134487 738695267 /nfs/dbraw/zinc/69/52/67/738695267.db2.gz IWJRHMMBUZHAFA-SWLSCSKDSA-N 0 1 354.248 2.663 20 10 FFCDMN Cc1cc(C(=O)NCc2nnc[nH]2)c(C)n1-c1ccccc1Br ZINC000732116548 734717554 /nfs/dbraw/zinc/71/75/54/734717554.db2.gz UBSUBYVWWOVWAY-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893977246 734781045 /nfs/dbraw/zinc/78/10/45/734781045.db2.gz CQZODCCBVLCWBK-JTQLQIEISA-N 0 1 356.394 2.511 20 10 FFCDMN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)cc(F)c1O ZINC000894028762 734788894 /nfs/dbraw/zinc/78/88/94/734788894.db2.gz ZGYSNTXMBGSTAE-SECBINFHSA-N 0 1 368.268 2.549 20 10 FFCDMN COc1ccc(O)c(CNCc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894260681 734827153 /nfs/dbraw/zinc/82/71/53/734827153.db2.gz OTTMZRHTCWCPAE-UHFFFAOYSA-N 0 1 369.874 2.637 20 10 FFCDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894632177 734892159 /nfs/dbraw/zinc/89/21/59/734892159.db2.gz XAKLHTWAOHSMEF-BONVTDFDSA-N 0 1 360.223 2.674 20 10 FFCDMN Oc1ccc(Cl)c(F)c1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895070371 734959556 /nfs/dbraw/zinc/95/95/56/734959556.db2.gz PZXKISCMMBFESB-UHFFFAOYSA-N 0 1 351.809 2.972 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000895073748 734960229 /nfs/dbraw/zinc/96/02/29/734960229.db2.gz JWFWHOHIXVGUDE-GFCCVEGCSA-N 0 1 367.222 2.770 20 10 FFCDMN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895576466 735026050 /nfs/dbraw/zinc/02/60/50/735026050.db2.gz ZSDGUZHNXLYMKB-KRWDZBQOSA-N 0 1 358.404 2.801 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897256458 735211279 /nfs/dbraw/zinc/21/12/79/735211279.db2.gz AZSFBJXJSQFKIZ-LBPRGKRZSA-N 0 1 356.260 2.661 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cnc3n2CCCC3)ccc1O ZINC000901929767 735871409 /nfs/dbraw/zinc/87/14/09/735871409.db2.gz SWOBSOREGYRGGZ-UHFFFAOYSA-N 0 1 365.455 2.651 20 10 FFCDMN COc1nn(C)cc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000903346060 736078316 /nfs/dbraw/zinc/07/83/16/736078316.db2.gz QCFCQZOZKXWGGM-SECBINFHSA-N 0 1 370.247 2.756 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1[O-] ZINC000903534876 736109336 /nfs/dbraw/zinc/10/93/36/736109336.db2.gz UIPIBLOOCXKYAJ-STQMWFEESA-N 0 1 350.768 2.960 20 10 FFCDMN CCN(CCNC(=O)NCc1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000755070136 736230619 /nfs/dbraw/zinc/23/06/19/736230619.db2.gz FHZMJZZYHYKVIY-UHFFFAOYSA-N 0 1 360.424 2.826 20 10 FFCDMN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)ccc1[O-] ZINC000756758102 736359722 /nfs/dbraw/zinc/35/97/22/736359722.db2.gz HBONIXRAFNZEIV-SNVBAGLBSA-N 0 1 362.289 2.630 20 10 FFCDMN O=C(NCCCSc1nccs1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000759579203 736578331 /nfs/dbraw/zinc/57/83/31/736578331.db2.gz BXWWJVAAGZGOBJ-UHFFFAOYSA-N 0 1 374.495 2.910 20 10 FFCDMN O=C(NCCCSc1nccs1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000759579203 736578334 /nfs/dbraw/zinc/57/83/34/736578334.db2.gz BXWWJVAAGZGOBJ-UHFFFAOYSA-N 0 1 374.495 2.910 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000760535849 736648239 /nfs/dbraw/zinc/64/82/39/736648239.db2.gz XHASBVHAQXICCF-ZDUSSCGKSA-N 0 1 363.805 2.820 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000760535849 736648242 /nfs/dbraw/zinc/64/82/42/736648242.db2.gz XHASBVHAQXICCF-ZDUSSCGKSA-N 0 1 363.805 2.820 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc1 ZINC000760535849 736648244 /nfs/dbraw/zinc/64/82/44/736648244.db2.gz XHASBVHAQXICCF-ZDUSSCGKSA-N 0 1 363.805 2.820 20 10 FFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cccc(Br)c1[O-] ZINC000763626345 736954257 /nfs/dbraw/zinc/95/42/57/736954257.db2.gz MDSYXQDQILGWAL-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765535209 737130968 /nfs/dbraw/zinc/13/09/68/737130968.db2.gz OCZSKUXNSHTJQM-ZDUSSCGKSA-N 0 1 370.291 2.828 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000769403989 737525248 /nfs/dbraw/zinc/52/52/48/737525248.db2.gz GSJKTHAHPMQSPE-GFCCVEGCSA-N 0 1 367.833 2.788 20 10 FFCDMN CN1CCN(c2ccc([C@@H]3Nc4cccc(Cl)c4C(=O)N3)cc2)CC1 ZINC000771517981 737732138 /nfs/dbraw/zinc/73/21/38/737732138.db2.gz LIIBGNQSWOHWDD-GOSISDBHSA-N 0 1 356.857 2.946 20 10 FFCDMN COC(=O)CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1cc(Cl)ccc1O ZINC000814627944 741851419 /nfs/dbraw/zinc/85/14/19/741851419.db2.gz ZBAFGDGDOIMBPY-UHFFFAOYSA-N 0 1 366.849 2.636 20 10 FFCDMN CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000775501091 738097760 /nfs/dbraw/zinc/09/77/60/738097760.db2.gz ZMRNLGNPBQREIZ-HNNXBMFYSA-N 0 1 360.907 2.758 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1[O-] ZINC000775537528 738100277 /nfs/dbraw/zinc/10/02/77/738100277.db2.gz ZWVRCUVHOAHLTD-MIUNTBIASA-N 0 1 365.861 2.807 20 10 FFCDMN O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2O)Cc2ccccc21 ZINC000776013861 738152264 /nfs/dbraw/zinc/15/22/64/738152264.db2.gz JLTKZARITKJGKR-UHFFFAOYSA-N 0 1 355.818 2.974 20 10 FFCDMN COCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000786409339 739047102 /nfs/dbraw/zinc/04/71/02/739047102.db2.gz MQJAXEAUVFFKRQ-INIZCTEOSA-N 0 1 366.889 2.943 20 10 FFCDMN COCC[N@@H+](Cc1ccnn1C)Cc1cccc(Br)c1[O-] ZINC000787331416 739127752 /nfs/dbraw/zinc/12/77/52/739127752.db2.gz KLHVTJXQNBCSMD-UHFFFAOYSA-N 0 1 354.248 2.537 20 10 FFCDMN COC(=O)c1cncc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000788492595 739249871 /nfs/dbraw/zinc/24/98/71/739249871.db2.gz VMOIBHJUQZIRNR-UHFFFAOYSA-N 0 1 364.423 2.806 20 10 FFCDMN COc1ccc2nc(/C=C3\C(=O)NN(c4ccccc4)C3=O)sc2c1 ZINC000788733381 739277943 /nfs/dbraw/zinc/27/79/43/739277943.db2.gz PVYOWNHUURYSJW-JLHYYAGUSA-N 0 1 351.387 2.766 20 10 FFCDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000790334325 739438713 /nfs/dbraw/zinc/43/87/13/739438713.db2.gz CISSAOPYETTZKQ-UHFFFAOYSA-N 0 1 371.798 2.887 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000790416071 739451004 /nfs/dbraw/zinc/45/10/04/739451004.db2.gz OFDNKKAOGQCWRU-UHFFFAOYSA-N 0 1 366.830 2.760 20 10 FFCDMN CN(C)c1ccc(CNC[C@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793072252 739737168 /nfs/dbraw/zinc/73/71/68/739737168.db2.gz DHBLCFPBNZEARS-CQSZACIVSA-N 0 1 364.433 2.828 20 10 FFCDMN COc1ccc(CNC(=O)c2cccc(Br)c2O)c(O)c1 ZINC000794373170 739884283 /nfs/dbraw/zinc/88/42/83/739884283.db2.gz IKVGCZJCLLYIAI-UHFFFAOYSA-N 0 1 352.184 2.799 20 10 FFCDMN CCn1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1=O ZINC000805387584 740965713 /nfs/dbraw/zinc/96/57/13/740965713.db2.gz KTSJBTUJYHPDHZ-UHFFFAOYSA-N 0 1 370.236 2.880 20 10 FFCDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839675 741163298 /nfs/dbraw/zinc/16/32/98/741163298.db2.gz JDVQAZRIDDOIFR-UHFFFAOYSA-N 0 1 373.196 2.819 20 10 FFCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000811514751 741532778 /nfs/dbraw/zinc/53/27/78/741532778.db2.gz POKDPWNLUYHVNF-SNVBAGLBSA-N 0 1 350.768 2.936 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C(F)(F)F ZINC000811785399 741558720 /nfs/dbraw/zinc/55/87/20/741558720.db2.gz DJXNQHUNSNPQDI-LBPRGKRZSA-N 0 1 356.388 2.771 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C(F)(F)F ZINC000811785399 741558723 /nfs/dbraw/zinc/55/87/23/741558723.db2.gz DJXNQHUNSNPQDI-LBPRGKRZSA-N 0 1 356.388 2.771 20 10 FFCDMN C[C@H](Sc1nncn1C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684216 741748836 /nfs/dbraw/zinc/74/88/36/741748836.db2.gz FEPRHLDHSIYCNJ-ZETCQYMHSA-N 0 1 361.254 2.625 20 10 FFCDMN COc1ncc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813683870 741748947 /nfs/dbraw/zinc/74/89/47/741748947.db2.gz GALKDBIEHQFSDC-NSCUHMNNSA-N 0 1 354.193 2.827 20 10 FFCDMN O=S(=O)(CC[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000815045018 741890097 /nfs/dbraw/zinc/89/00/97/741890097.db2.gz MPUIXXABIYQUBT-VIFPVBQESA-N 0 1 354.255 2.545 20 10 FFCDMN C[C@H](O)[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OCc1ccccc1 ZINC000816625717 742048311 /nfs/dbraw/zinc/04/83/11/742048311.db2.gz LWYPOJKDJJJHGB-ZBEGNZNMSA-N 0 1 367.804 2.767 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667856 742052211 /nfs/dbraw/zinc/05/22/11/742052211.db2.gz YHCAHYOUZBWOKU-JKSUJKDBSA-N 0 1 356.260 2.564 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504056 742745431 /nfs/dbraw/zinc/74/54/31/742745431.db2.gz 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COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001352876238 1055887759 /nfs/dbraw/zinc/88/77/59/1055887759.db2.gz JMODCJLKJSCFKS-ZJUUUORDSA-N 0 1 353.287 2.844 20 10 FFCDMN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001351382898 1056235061 /nfs/dbraw/zinc/23/50/61/1056235061.db2.gz JCGUIXSPTXVXDU-UHFFFAOYSA-N 0 1 372.498 2.718 20 10 FFCDMN CN(C)c1cc(F)c(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1F ZINC001351508879 1056299240 /nfs/dbraw/zinc/29/92/40/1056299240.db2.gz VVPKGMRFUIKVQM-DNVCBOLYSA-N 0 1 350.409 2.605 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCN2Cc3ccccc3OCC2=O)c(Cl)c1 ZINC001461749682 1061396937 /nfs/dbraw/zinc/39/69/37/1061396937.db2.gz DOCKBPFALTYOFV-UHFFFAOYSA-N 0 1 360.841 2.865 20 10 FFCDMN CC[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC001476434132 1061412232 /nfs/dbraw/zinc/41/22/32/1061412232.db2.gz DQFWZRHUIUJTRK-HNNXBMFYSA-N 0 1 358.408 2.579 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001438889019 1063066409 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2.716 20 10 FFCDMN COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CCC1 ZINC001474723505 1065588945 /nfs/dbraw/zinc/58/89/45/1065588945.db2.gz DFDDUXMRCXIGDS-GOSISDBHSA-N 0 1 353.846 2.716 20 10 FFCDMN Cc1ccc(CN2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001474761755 1065599653 /nfs/dbraw/zinc/59/96/53/1065599653.db2.gz JIBMZXNJQWEKSS-FQEVSTJZSA-N 0 1 362.470 2.912 20 10 FFCDMN CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC001560832617 1076303501 /nfs/dbraw/zinc/30/35/01/1076303501.db2.gz IOTBPNFYCWODMD-UHFFFAOYSA-N 0 1 370.268 2.848 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCC=C(Cl)Cl)cc2)CC1 ZINC001563288142 1076538736 /nfs/dbraw/zinc/53/87/36/1076538736.db2.gz IEOLATKDLJZVDG-UHFFFAOYSA-N 0 1 357.285 2.557 20 10 FFCDMN CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001565271210 1076707339 /nfs/dbraw/zinc/70/73/39/1076707339.db2.gz OZPZIOBJOOTBBB-IBGZPJMESA-N 0 1 356.514 2.936 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1n[nH]c(=O)n1C1CC1 ZINC001570886025 1077239165 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C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000154108973 508718972 /nfs/dbraw/zinc/71/89/72/508718972.db2.gz GJHCZMBBDGRCDL-KRWDZBQOSA-N 0 1 374.506 2.648 20 10 FFCDMN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000186089489 509516748 /nfs/dbraw/zinc/51/67/48/509516748.db2.gz JFHJFTHSMBJSKI-SNVBAGLBSA-N 0 1 362.289 2.630 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3cnccc3N(C)C)CC2)cc1 ZINC000183528442 509843593 /nfs/dbraw/zinc/84/35/93/509843593.db2.gz HGYWAAKSRAKLGD-UHFFFAOYSA-N 0 1 354.454 2.509 20 10 FFCDMN COc1cc(N2CCN(CCCOC(C)C)CC2)cc(OC)c1OC ZINC000183706666 509937219 /nfs/dbraw/zinc/93/72/19/509937219.db2.gz OEFCWCIBSCANFI-UHFFFAOYSA-N 0 1 352.475 2.650 20 10 FFCDMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185140517 510707802 /nfs/dbraw/zinc/70/78/02/510707802.db2.gz BNDORGOYOADINF-GUYCJALGSA-N 0 1 356.919 2.904 20 10 FFCDMN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccncc3)CC2)cc1 ZINC000191638189 510765235 /nfs/dbraw/zinc/76/52/35/510765235.db2.gz JLBBXVPWRCNDSH-UHFFFAOYSA-N 0 1 352.482 2.643 20 10 FFCDMN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000275463045 510901323 /nfs/dbraw/zinc/90/13/23/510901323.db2.gz HHEOHFDCZHPVNG-ZFWWWQNUSA-N 0 1 366.259 2.991 20 10 FFCDMN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000275702629 510911043 /nfs/dbraw/zinc/91/10/43/510911043.db2.gz XRXPWUBAVIAWKJ-GOEBONIOSA-N 0 1 366.259 2.898 20 10 FFCDMN COc1c(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886426 511011700 /nfs/dbraw/zinc/01/17/00/511011700.db2.gz OZNOXZKRQUNOCZ-UKRRQHHQSA-N 0 1 362.382 2.990 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886426 511011710 /nfs/dbraw/zinc/01/17/10/511011710.db2.gz OZNOXZKRQUNOCZ-UKRRQHHQSA-N 0 1 362.382 2.990 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)ccc21 ZINC000361279421 511025771 /nfs/dbraw/zinc/02/57/71/511025771.db2.gz XJDMBISUBMXZQD-MRXNPFEDSA-N 0 1 366.465 2.915 20 10 FFCDMN COc1cc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271105461 511084730 /nfs/dbraw/zinc/08/47/30/511084730.db2.gz RNCFNDHECQSMAO-CYBMUJFWSA-N 0 1 352.431 2.508 20 10 FFCDMN O=C(c1cccc(O)c1O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000365570838 511534170 /nfs/dbraw/zinc/53/41/70/511534170.db2.gz ZHXMDPICVULCPI-UHFFFAOYSA-N 0 1 355.316 2.860 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ccc4nccnc4n3)cc2F)CC1 ZINC000301215275 511689319 /nfs/dbraw/zinc/68/93/19/511689319.db2.gz ZPGXXCOQCSGGSD-UHFFFAOYSA-N 0 1 366.444 2.918 20 10 FFCDMN CCOc1cccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1O ZINC000281190224 511753225 /nfs/dbraw/zinc/75/32/25/511753225.db2.gz IGWIHHAYQMUMDN-UHFFFAOYSA-N 0 1 360.376 2.681 20 10 FFCDMN O=C(c1ccc2cncn2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000284545257 511765540 /nfs/dbraw/zinc/76/55/40/511765540.db2.gz BCXPWTVDSQCCTL-SFHVURJKSA-N 0 1 351.406 2.861 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](CF)C2)C1 ZINC000412552101 513158643 /nfs/dbraw/zinc/15/86/43/513158643.db2.gz MKDDCMUDGXXTRV-INIZCTEOSA-N 0 1 373.472 2.605 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCOC2)C1 ZINC000435874965 513705350 /nfs/dbraw/zinc/70/53/50/513705350.db2.gz PMIVRKQAELNPPK-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN Cc1cc(-c2nc(C3(N)CCC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000414623802 514210975 /nfs/dbraw/zinc/21/09/75/514210975.db2.gz FENDEPDGCILSSH-UHFFFAOYSA-N 0 1 354.435 2.599 20 10 FFCDMN CC(C)C[C@H](N)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000563121385 517673140 /nfs/dbraw/zinc/67/31/40/517673140.db2.gz VOIDSTGXHBPBJV-AWEZNQCLSA-N 0 1 356.451 2.999 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2ccon2)C1 ZINC000568171061 518905765 /nfs/dbraw/zinc/90/57/65/518905765.db2.gz QRKGDIMYUJQIFP-UHFFFAOYSA-N 0 1 366.465 2.755 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738320999 600011570 /nfs/dbraw/zinc/01/15/70/600011570.db2.gz VRQRMVNDNKDVNW-INIZCTEOSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738320999 600011573 /nfs/dbraw/zinc/01/15/73/600011573.db2.gz VRQRMVNDNKDVNW-INIZCTEOSA-N 0 1 370.449 2.679 20 10 FFCDMN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000739720363 600281705 /nfs/dbraw/zinc/28/17/05/600281705.db2.gz UEVNFIZJKYSYDR-UHFFFAOYSA-N 0 1 365.332 2.876 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1O ZINC000825946662 601418859 /nfs/dbraw/zinc/41/88/59/601418859.db2.gz JZUGYRAXVIMPCB-AWEZNQCLSA-N 0 1 355.818 2.704 20 10 FFCDMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000833549230 605077325 /nfs/dbraw/zinc/07/73/25/605077325.db2.gz PLBAUQQWGFOGQP-HNNXBMFYSA-N 0 1 356.422 2.546 20 10 FFCDMN O=C(c1ccco1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000158482339 728889387 /nfs/dbraw/zinc/88/93/87/728889387.db2.gz RSGCWZGYBNADFS-UHFFFAOYSA-N 0 1 365.227 2.706 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)/C=C\C=C(Cl)Cl)cc2)CC1 ZINC000899212910 735460398 /nfs/dbraw/zinc/46/03/98/735460398.db2.gz ZUPRBODGPIDBTF-RQOWECAXSA-N 0 1 354.281 2.930 20 10 FFCDMN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000093610711 728476849 /nfs/dbraw/zinc/47/68/49/728476849.db2.gz RXOUESDONCPOKT-LLVKDONJSA-N 0 1 360.273 2.635 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000177348447 729134367 /nfs/dbraw/zinc/13/43/67/729134367.db2.gz MNPSEHLAJVWHOE-MRXNPFEDSA-N 0 1 352.862 2.545 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000177348447 729134368 /nfs/dbraw/zinc/13/43/68/729134368.db2.gz MNPSEHLAJVWHOE-MRXNPFEDSA-N 0 1 352.862 2.545 20 10 FFCDMN CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000180355004 729212034 /nfs/dbraw/zinc/21/20/34/729212034.db2.gz MFEYZPCFXMFEHR-UHFFFAOYSA-N 0 1 370.858 2.586 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1 ZINC000180484275 729215915 /nfs/dbraw/zinc/21/59/15/729215915.db2.gz RORGVHVTZWPZCS-UHFFFAOYSA-N 0 1 372.443 2.697 20 10 FFCDMN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(O)c(Cl)c1 ZINC000856210275 730316075 /nfs/dbraw/zinc/31/60/75/730316075.db2.gz VFWWUPROAPMGIU-UHFFFAOYSA-N 0 1 360.841 2.937 20 10 FFCDMN CN(C)c1cc(F)c(CNCc2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000858099653 730416439 /nfs/dbraw/zinc/41/64/39/730416439.db2.gz TUVVCXKOIBDQOM-UHFFFAOYSA-N 0 1 369.437 2.692 20 10 FFCDMN Cn1cc(N2CCC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)cn1 ZINC000858146497 730417825 /nfs/dbraw/zinc/41/78/25/730417825.db2.gz ZLPNWSIJKSFANW-LBPRGKRZSA-N 0 1 365.275 2.647 20 10 FFCDMN Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858175108 730418686 /nfs/dbraw/zinc/41/86/86/730418686.db2.gz HMMMOYVMQYRLKA-NHYWBVRUSA-N 0 1 366.259 2.898 20 10 FFCDMN CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1[O-] ZINC000858465894 730426502 /nfs/dbraw/zinc/42/65/02/730426502.db2.gz PHRXTOONYUKNFY-LPHOPBHVSA-N 0 1 368.905 2.702 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1[O-] ZINC000858565492 730428941 /nfs/dbraw/zinc/42/89/41/730428941.db2.gz QSAQYUWUJCJKLH-WMLDXEAASA-N 0 1 361.873 2.992 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862419044 730699708 /nfs/dbraw/zinc/69/97/08/730699708.db2.gz VBDZGTCZYKGNPI-GFCCVEGCSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862419044 730699710 /nfs/dbraw/zinc/69/97/10/730699710.db2.gz VBDZGTCZYKGNPI-GFCCVEGCSA-N 0 1 355.276 2.891 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[O-] ZINC000877693859 732415141 /nfs/dbraw/zinc/41/51/41/732415141.db2.gz SOPUGRHFMRTLRT-WCBMZHEXSA-N 0 1 354.712 2.556 20 10 FFCDMN O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC000877793953 732433805 /nfs/dbraw/zinc/43/38/05/732433805.db2.gz RSNOUWINOKZJCJ-ONGXEEELSA-N 0 1 350.267 2.566 20 10 FFCDMN O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC000877793953 732433810 /nfs/dbraw/zinc/43/38/10/732433810.db2.gz RSNOUWINOKZJCJ-ONGXEEELSA-N 0 1 350.267 2.566 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000881853594 733120668 /nfs/dbraw/zinc/12/06/68/733120668.db2.gz BUTRRXJDXDCPJZ-INIZCTEOSA-N 0 1 351.441 2.880 20 10 FFCDMN CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000714243488 734368828 /nfs/dbraw/zinc/36/88/28/734368828.db2.gz LXDVKERSZIOBMN-GVXVVHGQSA-N 0 1 362.289 2.771 20 10 FFCDMN C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[S@@]1=O ZINC000894565202 734880589 /nfs/dbraw/zinc/88/05/89/734880589.db2.gz DSJYXNLPHSPFGL-UGZDLDLSSA-N 0 1 350.253 2.637 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000895073750 734960333 /nfs/dbraw/zinc/96/03/33/734960333.db2.gz JWFWHOHIXVGUDE-LBPRGKRZSA-N 0 1 367.222 2.770 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1F ZINC000896392581 735151850 /nfs/dbraw/zinc/15/18/50/735151850.db2.gz GUVKWNIDWBWHQN-SCLBCKFNSA-N 0 1 353.413 2.741 20 10 FFCDMN C[C@]1([C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396766 735152898 /nfs/dbraw/zinc/15/28/98/735152898.db2.gz KYWMLQUDYLPPET-MEDUHNTESA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396766 735152901 /nfs/dbraw/zinc/15/29/01/735152901.db2.gz KYWMLQUDYLPPET-MEDUHNTESA-N 0 1 369.259 2.865 20 10 FFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000747791796 735591091 /nfs/dbraw/zinc/59/10/91/735591091.db2.gz YTJIVNMOVQDRBN-UHFFFAOYSA-N 0 1 368.842 2.857 20 10 FFCDMN Cc1cc(C(=O)NCc2c[nH]nn2)c(C)n1-c1ccc(Br)cc1 ZINC000749188167 735703072 /nfs/dbraw/zinc/70/30/72/735703072.db2.gz GCQQQIIALRFPGN-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C(F)F)[nH]n1 ZINC000901325987 735767525 /nfs/dbraw/zinc/76/75/25/735767525.db2.gz CKVKQHGRMVEVHS-UHFFFAOYSA-N 0 1 373.743 2.522 20 10 FFCDMN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552733 736342089 /nfs/dbraw/zinc/34/20/89/736342089.db2.gz HBWZVDAYQBENFY-RYUDHWBXSA-N 0 1 374.298 2.580 20 10 FFCDMN CN(C)c1ccnc(CNC(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000905619692 736369949 /nfs/dbraw/zinc/36/99/49/736369949.db2.gz XRBQUUXKVLOJLY-UHFFFAOYSA-N 0 1 358.467 2.796 20 10 FFCDMN O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000757955053 736439616 /nfs/dbraw/zinc/43/96/16/736439616.db2.gz BTKRPLFSPGOCIC-UHFFFAOYSA-N 0 1 370.814 2.517 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907758718 736664420 /nfs/dbraw/zinc/66/44/20/736664420.db2.gz SROYDECYMFJCNZ-GXTWGEPZSA-N 0 1 353.260 2.788 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907758718 736664423 /nfs/dbraw/zinc/66/44/23/736664423.db2.gz SROYDECYMFJCNZ-GXTWGEPZSA-N 0 1 353.260 2.788 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000761994679 736780757 /nfs/dbraw/zinc/78/07/57/736780757.db2.gz CGRYBPUQCNVHOO-UHFFFAOYSA-N 0 1 363.391 2.651 20 10 FFCDMN CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780699 737049002 /nfs/dbraw/zinc/04/90/02/737049002.db2.gz RQXGNSANXSPZDI-ZDUSSCGKSA-N 0 1 370.291 2.828 20 10 FFCDMN CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780699 737049005 /nfs/dbraw/zinc/04/90/05/737049005.db2.gz RQXGNSANXSPZDI-ZDUSSCGKSA-N 0 1 370.291 2.828 20 10 FFCDMN CCC[N@H+](CC)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764796461 737050400 /nfs/dbraw/zinc/05/04/00/737050400.db2.gz DREMXJIREBYVHC-UHFFFAOYSA-N 0 1 358.280 2.686 20 10 FFCDMN CCC[N@@H+](CC)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764796461 737050403 /nfs/dbraw/zinc/05/04/03/737050403.db2.gz DREMXJIREBYVHC-UHFFFAOYSA-N 0 1 358.280 2.686 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765445420 737119531 /nfs/dbraw/zinc/11/95/31/737119531.db2.gz SMEKFEYVNLRPDE-OLZOCXBDSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000765445420 737119532 /nfs/dbraw/zinc/11/95/32/737119532.db2.gz SMEKFEYVNLRPDE-OLZOCXBDSA-N 0 1 368.275 2.581 20 10 FFCDMN COCCN(CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768142733 737401240 /nfs/dbraw/zinc/40/12/40/737401240.db2.gz NHBVELMZXZJXTJ-UHFFFAOYSA-N 0 1 351.447 2.680 20 10 FFCDMN COc1cc(O)c(CN2CCN(CCc3cccs3)CC2)cc1OC ZINC000768442217 737423142 /nfs/dbraw/zinc/42/31/42/737423142.db2.gz KSBNPQLCOUVTTN-UHFFFAOYSA-N 0 1 362.495 2.831 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)nc3F)cc2)CC1 ZINC000918905441 737832065 /nfs/dbraw/zinc/83/20/65/737832065.db2.gz DYXUPZOWOPPCBO-UHFFFAOYSA-N 0 1 362.836 2.556 20 10 FFCDMN COc1c([O-])c(CN2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774847663 738032510 /nfs/dbraw/zinc/03/25/10/738032510.db2.gz WKFDHENDTBQHLN-UHFFFAOYSA-N 0 1 351.447 2.863 20 10 FFCDMN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000776745520 738228296 /nfs/dbraw/zinc/22/82/96/738228296.db2.gz MIKAFXMYSGNTAM-UHFFFAOYSA-N 0 1 362.407 2.550 20 10 FFCDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(Br)c1 ZINC000776745092 738228336 /nfs/dbraw/zinc/22/83/36/738228336.db2.gz RZNZEPNCKYDQPQ-UHFFFAOYSA-N 0 1 373.184 2.864 20 10 FFCDMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776747621 738228855 /nfs/dbraw/zinc/22/88/55/738228855.db2.gz HEWVPMSLWGBARZ-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN CN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000792165823 739645000 /nfs/dbraw/zinc/64/50/00/739645000.db2.gz LFAAKPUJTZFWAL-JTQLQIEISA-N 0 1 354.731 2.780 20 10 FFCDMN NC(=O)c1ccc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792165914 739645054 /nfs/dbraw/zinc/64/50/54/739645054.db2.gz MMWXKCOLSXCLLL-UHFFFAOYSA-N 0 1 363.820 2.606 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167363 739645501 /nfs/dbraw/zinc/64/55/01/739645501.db2.gz PMNPEHQDBBMAJB-RYUDHWBXSA-N 0 1 358.841 2.548 20 10 FFCDMN C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000797071389 740209280 /nfs/dbraw/zinc/20/92/80/740209280.db2.gz SGKDVZWHFJCWMQ-ZJUUUORDSA-N 0 1 362.289 2.771 20 10 FFCDMN NC(=O)C(=O)Nc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000800892707 740561176 /nfs/dbraw/zinc/56/11/76/740561176.db2.gz ISPNNSODBJFTFC-UHFFFAOYSA-N 0 1 354.193 2.735 20 10 FFCDMN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000801735638 740646954 /nfs/dbraw/zinc/64/69/54/740646954.db2.gz WBVWZVDZXRIKJA-ZDUSSCGKSA-N 0 1 368.886 2.892 20 10 FFCDMN C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135846 740944085 /nfs/dbraw/zinc/94/40/85/740944085.db2.gz UTGBUOJDUSKVPI-QMMMGPOBSA-N 0 1 353.271 2.764 20 10 FFCDMN CC(C)(C)N1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805381557 740965294 /nfs/dbraw/zinc/96/52/94/740965294.db2.gz KAXSTWFCBMUBJC-LLVKDONJSA-N 0 1 374.268 2.898 20 10 FFCDMN COCCn1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806250588 741047974 /nfs/dbraw/zinc/04/79/74/741047974.db2.gz WTDBWWJAWPWFRW-UHFFFAOYSA-N 0 1 359.213 2.864 20 10 FFCDMN NC(=O)NCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807837778 741162861 /nfs/dbraw/zinc/16/28/61/741162861.db2.gz CBGYQNGERKRGCK-UHFFFAOYSA-N 0 1 368.220 2.797 20 10 FFCDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(Cl)cc(Cl)c1O ZINC000808090145 741185067 /nfs/dbraw/zinc/18/50/67/741185067.db2.gz QRCDTUFYOCJOJQ-UHFFFAOYSA-N 0 1 357.153 2.713 20 10 FFCDMN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000809786241 741343590 /nfs/dbraw/zinc/34/35/90/741343590.db2.gz VIVCYYOQCIUANP-CYBMUJFWSA-N 0 1 374.934 2.928 20 10 FFCDMN CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210075 741398136 /nfs/dbraw/zinc/39/81/36/741398136.db2.gz MUMUTJMPATVHLD-MFKMUULPSA-N 0 1 351.390 2.886 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCSC3)cc2F)CC1 ZINC000810362118 741411377 /nfs/dbraw/zinc/41/13/77/741411377.db2.gz QFVSVJUIHZLTMH-MRXNPFEDSA-N 0 1 365.518 2.727 20 10 FFCDMN Cc1cc(C)nc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816567071 742042949 /nfs/dbraw/zinc/04/29/49/742042949.db2.gz PNDRHCUZVYKNNV-UHFFFAOYSA-N 0 1 350.825 2.914 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624720 742048553 /nfs/dbraw/zinc/04/85/53/742048553.db2.gz FRAOBADJIUJXRH-HNNXBMFYSA-N 0 1 350.802 2.989 20 10 FFCDMN O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000819398831 742385519 /nfs/dbraw/zinc/38/55/19/742385519.db2.gz QANYADIMIVUJGS-KIZNEFEJSA-N 0 1 364.873 2.861 20 10 FFCDMN O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000819398831 742385524 /nfs/dbraw/zinc/38/55/24/742385524.db2.gz QANYADIMIVUJGS-KIZNEFEJSA-N 0 1 364.873 2.861 20 10 FFCDMN O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000819398831 742385530 /nfs/dbraw/zinc/38/55/30/742385530.db2.gz QANYADIMIVUJGS-KIZNEFEJSA-N 0 1 364.873 2.861 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3cccc(F)n3)CC2)c1[O-] ZINC000824811242 743153283 /nfs/dbraw/zinc/15/32/83/743153283.db2.gz YCLPVRXGZPWXBJ-UHFFFAOYSA-N 0 1 366.780 2.810 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826785312 743442273 /nfs/dbraw/zinc/44/22/73/743442273.db2.gz RFEZQDYIPJMYKP-UHFFFAOYSA-N 0 1 351.244 2.833 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544858 743598063 /nfs/dbraw/zinc/59/80/63/743598063.db2.gz MNYXONVDNZXWFV-AWEZNQCLSA-N 0 1 370.291 2.651 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000829927573 745281337 /nfs/dbraw/zinc/28/13/37/745281337.db2.gz UHPUQWNVSLUXIJ-KRWDZBQOSA-N 0 1 351.424 2.920 20 10 FFCDMN O=C(Cc1cscn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544500 745378062 /nfs/dbraw/zinc/37/80/62/745378062.db2.gz QUIUDAJNLPUWEU-CQSZACIVSA-N 0 1 365.886 2.825 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834851482 745914575 /nfs/dbraw/zinc/91/45/75/745914575.db2.gz YAQVOBVFOQXRPE-TZMCWYRMSA-N 0 1 357.292 2.652 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCC[C@@H](C)F)cc2F)CC1 ZINC000836483231 746234953 /nfs/dbraw/zinc/23/49/53/746234953.db2.gz QDICILOLONHRPO-CQSZACIVSA-N 0 1 354.445 2.515 20 10 FFCDMN CN(C)C(=O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838988666 746751666 /nfs/dbraw/zinc/75/16/66/746751666.db2.gz JWDFRVVDOHTOBC-UHFFFAOYSA-N 0 1 354.292 2.617 20 10 FFCDMN CC[C@H](N)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841071383 747263809 /nfs/dbraw/zinc/26/38/09/747263809.db2.gz FISAFTPVESJSCJ-VIFPVBQESA-N 0 1 352.070 2.744 20 10 FFCDMN [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000841100095 747269079 /nfs/dbraw/zinc/26/90/79/747269079.db2.gz ULJXAHFDBCNTFM-CYBMUJFWSA-N 0 1 356.257 2.586 20 10 FFCDMN C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841744450 747446925 /nfs/dbraw/zinc/44/69/25/747446925.db2.gz HOMDODLZIRRCIR-ZDUSSCGKSA-N 0 1 368.886 2.816 20 10 FFCDMN Cc1ccc([C@H](N)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000844173506 747983717 /nfs/dbraw/zinc/98/37/17/747983717.db2.gz GJGAVCUCNCIGJG-IBGZPJMESA-N 0 1 355.507 2.864 20 10 FFCDMN Oc1c(Br)cccc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000846014718 748382569 /nfs/dbraw/zinc/38/25/69/748382569.db2.gz VCRRBECAEPFJMR-UHFFFAOYSA-N 0 1 363.259 2.715 20 10 FFCDMN COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C1CC1 ZINC000846122033 748411910 /nfs/dbraw/zinc/41/19/10/748411910.db2.gz FSFFHGZUYZCDCX-UONOGXRCSA-N 0 1 354.244 2.786 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C1CC1 ZINC000846122033 748411911 /nfs/dbraw/zinc/41/19/11/748411911.db2.gz FSFFHGZUYZCDCX-UONOGXRCSA-N 0 1 354.244 2.786 20 10 FFCDMN CC[C@@](C)(CO)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590962 748736500 /nfs/dbraw/zinc/73/65/00/748736500.db2.gz LPUVTDRMGQBUPZ-QAPCUYQASA-N 0 1 354.878 2.535 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848569482 748962883 /nfs/dbraw/zinc/96/28/83/748962883.db2.gz FDSQQHFTYSPZEN-CABZTGNLSA-N 0 1 355.232 2.789 20 10 FFCDMN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850510155 749378199 /nfs/dbraw/zinc/37/81/99/749378199.db2.gz VPIBELGKIOBTAJ-GOEBONIOSA-N 0 1 363.376 2.620 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1C ZINC000055668575 845337090 /nfs/dbraw/zinc/33/70/90/845337090.db2.gz GEZNOXZUNXFPBB-UHFFFAOYSA-N 0 1 372.443 2.697 20 10 FFCDMN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000397451592 845868333 /nfs/dbraw/zinc/86/83/33/845868333.db2.gz NNCQFAVLMRTFOE-GFCCVEGCSA-N 0 1 356.850 2.771 20 10 FFCDMN Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573444 971593425 /nfs/dbraw/zinc/59/34/25/971593425.db2.gz USMCNNZPKVHSNL-QRWLVFNGSA-N 0 1 372.488 2.597 20 10 FFCDMN CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893817 1013151770 /nfs/dbraw/zinc/15/17/70/1013151770.db2.gz NLYSMFXTAPYESG-IBGZPJMESA-N 0 1 364.873 2.815 20 10 FFCDMN CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893817 1013151774 /nfs/dbraw/zinc/15/17/74/1013151774.db2.gz NLYSMFXTAPYESG-IBGZPJMESA-N 0 1 364.873 2.815 20 10 FFCDMN CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C1CC1 ZINC000120072024 958812634 /nfs/dbraw/zinc/81/26/34/958812634.db2.gz SXLWRESKYIUAKU-FQEVSTJZSA-N 0 1 359.514 2.745 20 10 FFCDMN COCCCN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276036994 1013300380 /nfs/dbraw/zinc/30/03/80/1013300380.db2.gz DKNQKWPJWACPOP-FQEVSTJZSA-N 0 1 364.461 2.772 20 10 FFCDMN CN1c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2CC1=O ZINC001167431325 963094932 /nfs/dbraw/zinc/09/49/32/963094932.db2.gz SRRNRIKOQAKIEE-UHFFFAOYSA-N 0 1 350.466 2.569 20 10 FFCDMN CNC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC001167434466 963177483 /nfs/dbraw/zinc/17/74/83/963177483.db2.gz LICZXBZXUASZEW-UHFFFAOYSA-N 0 1 356.445 2.549 20 10 FFCDMN C[C@H]1Oc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2NC1=O ZINC001167434387 963177799 /nfs/dbraw/zinc/17/77/99/963177799.db2.gz LASJHFXYVFESGC-OAHLLOKOSA-N 0 1 366.465 2.770 20 10 FFCDMN COC(=O)c1cnc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167437127 963270746 /nfs/dbraw/zinc/27/07/46/963270746.db2.gz MAIWLHYPUFPVGO-UHFFFAOYSA-N 0 1 354.454 2.541 20 10 FFCDMN COC(C)(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276085449 1013431517 /nfs/dbraw/zinc/43/15/17/1013431517.db2.gz JKPCZGZFJOHDCS-FQEVSTJZSA-N 0 1 364.461 2.913 20 10 FFCDMN OC1CCN(c2ccc(CN3CCc4nc[nH]c4C34CCC4)cc2)CC1 ZINC000895068470 967365376 /nfs/dbraw/zinc/36/53/76/967365376.db2.gz ASHNEYBCFVGKSE-UHFFFAOYSA-N 0 1 352.482 2.808 20 10 FFCDMN Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(O)c1O ZINC000177673614 969302707 /nfs/dbraw/zinc/30/27/07/969302707.db2.gz PINVVWORSGDBED-UHFFFAOYSA-N 0 1 358.413 2.940 20 10 FFCDMN COc1c(O)c(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000840998558 974344777 /nfs/dbraw/zinc/34/47/77/974344777.db2.gz MDUOFCIKBZOIBL-HNNXBMFYSA-N 0 1 374.393 2.875 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000893608238 975915101 /nfs/dbraw/zinc/91/51/01/975915101.db2.gz UALRZNHJNRYEPN-LJQANCHMSA-N 0 1 357.498 2.546 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N(O)Cc3ccccc3)cc2)CC1 ZINC000904202382 980213918 /nfs/dbraw/zinc/21/39/18/980213918.db2.gz DYNOSCABNJIQOY-UHFFFAOYSA-N 0 1 354.454 2.539 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](C(=O)[O-])O1 ZINC001599929424 985280487 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FFCDMN COc1cc2nc(CN[C@@H](C)c3ccccc3O)[nH]c(=O)c2cc1OC ZINC000879651237 1015625869 /nfs/dbraw/zinc/62/58/69/1015625869.db2.gz ODOBEQWZLFBKMS-NSHDSACASA-N 0 1 355.394 2.909 20 10 FFCDMN Cc1cccc(CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1O ZINC000180039755 991413078 /nfs/dbraw/zinc/41/30/78/991413078.db2.gz WVNMNGKHIIWQNG-UHFFFAOYSA-N 0 1 359.514 2.609 20 10 FFCDMN C[N@@H+](CCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183039482 992346030 /nfs/dbraw/zinc/34/60/30/992346030.db2.gz CGSHRGXQMZZPBQ-UHFFFAOYSA-N 0 1 356.466 2.735 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598519197 992657300 /nfs/dbraw/zinc/65/73/00/992657300.db2.gz KCYXZNXULLZARO-HXUWFJFHSA-N 0 1 354.450 2.905 20 10 FFCDMN COc1ccc(N2CCN(C(=O)Nc3cc(CN(C)C)ccn3)CC2)cc1 ZINC000880594157 1015884427 /nfs/dbraw/zinc/88/44/27/1015884427.db2.gz IPMCGTAZVMLHCT-UHFFFAOYSA-N 0 1 369.469 2.506 20 10 FFCDMN COC(=O)C1(OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000810756051 994907875 /nfs/dbraw/zinc/90/78/75/994907875.db2.gz RDBJUKKWLTZFOX-UHFFFAOYSA-N 0 1 370.449 2.657 20 10 FFCDMN CC[C@@H]1CCCN1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000727938209 996095029 /nfs/dbraw/zinc/09/50/29/996095029.db2.gz FENRNNMPLTYEDB-GOSISDBHSA-N 0 1 374.529 2.791 20 10 FFCDMN COc1ccc([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)[O-])cc1O ZINC001599530362 997639396 /nfs/dbraw/zinc/63/93/96/997639396.db2.gz CGDXERZRKRZHGQ-HNNXBMFYSA-N 0 1 355.749 2.814 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)[C@@H](N)c3ccc(C)cc3)CC2)cc1 ZINC000844175272 997694569 /nfs/dbraw/zinc/69/45/69/997694569.db2.gz IXDWKGDPEWVVNK-FQEVSTJZSA-N 0 1 353.466 2.742 20 10 FFCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc2c1OCCC2 ZINC000844648889 998060804 /nfs/dbraw/zinc/06/08/04/998060804.db2.gz AOTMLXPLBXVRLB-UHFFFAOYSA-N 0 1 374.462 2.649 20 10 FFCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001144299152 998285305 /nfs/dbraw/zinc/28/53/05/998285305.db2.gz QKMVXWTVLAZUPT-CQSZACIVSA-N 0 1 350.203 2.980 20 10 FFCDMN 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[O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001351511022 1056300855 /nfs/dbraw/zinc/30/08/55/1056300855.db2.gz KDTADGIKIPXNHV-LRDDRELGSA-N 0 1 370.287 2.812 20 10 FFCDMN Cc1cc(CC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001451750966 1059141041 /nfs/dbraw/zinc/14/10/41/1059141041.db2.gz WLYPIFSEFYANMU-ZWKOTPCHSA-N 0 1 369.509 2.550 20 10 FFCDMN COc1cc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)cc1OC ZINC000766928127 1061734608 /nfs/dbraw/zinc/73/46/08/1061734608.db2.gz RJFAMZWHOWJWMT-UHFFFAOYSA-N 0 1 371.437 2.977 20 10 FFCDMN C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H](C)N1C ZINC001466893721 1063586091 /nfs/dbraw/zinc/58/60/91/1063586091.db2.gz COWFJYZXZNFVMZ-GASCZTMLSA-N 0 1 364.453 2.953 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3C=CCC3)cc2F)CC1 ZINC001468640886 1064016791 /nfs/dbraw/zinc/01/67/91/1064016791.db2.gz BOAKEIGSYUXECU-MRXNPFEDSA-N 0 1 360.477 2.733 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC[C@](O)(c1nccn1C)C(F)(F)F ZINC001473980583 1065431272 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/nfs/dbraw/zinc/93/85/37/1079938537.db2.gz IHVXWPNOEISIMO-UHFFFAOYSA-N 0 1 352.350 2.963 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000367163609 512365616 /nfs/dbraw/zinc/36/56/16/512365616.db2.gz LARMIHRXCVNMAH-NRFANRHFSA-N 0 1 357.450 2.936 20 10 FFCDMN CCn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158105001 508657832 /nfs/dbraw/zinc/65/78/32/508657832.db2.gz PFOWIDBJEJGQTH-INIZCTEOSA-N 0 1 362.861 2.656 20 10 FFCDMN CCCCN(Cc1ccc(OCCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160783622 509032506 /nfs/dbraw/zinc/03/25/06/509032506.db2.gz HZCHNIRQFVMIBA-MRXNPFEDSA-N 0 1 355.500 2.970 20 10 FFCDMN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000186111047 509528687 /nfs/dbraw/zinc/52/86/87/509528687.db2.gz RXWYMEURRJHMCC-JQWIXIFHSA-N 0 1 356.264 2.609 20 10 FFCDMN Cc1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464933 509543587 /nfs/dbraw/zinc/54/35/87/509543587.db2.gz SKSJSWWCWKVIAM-HNNXBMFYSA-N 0 1 372.488 2.599 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000186375019 509677051 /nfs/dbraw/zinc/67/70/51/509677051.db2.gz CJRTUTFOKYELDC-YPMHNXCESA-N 0 1 372.259 2.727 20 10 FFCDMN COc1ccc(O)c(CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000180207114 509813567 /nfs/dbraw/zinc/81/35/67/509813567.db2.gz YLXOGRZWCTURAR-UHFFFAOYSA-N 0 1 367.449 2.640 20 10 FFCDMN COCCN1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000265796751 510234061 /nfs/dbraw/zinc/23/40/61/510234061.db2.gz YDFBVADAGSUPBE-IBGZPJMESA-N 0 1 374.529 2.539 20 10 FFCDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000269302705 510330726 /nfs/dbraw/zinc/33/07/26/510330726.db2.gz RFHIJGMJCHMJTJ-UHFFFAOYSA-N 0 1 368.481 2.601 20 10 FFCDMN O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000276606505 510942949 /nfs/dbraw/zinc/94/29/49/510942949.db2.gz OZCNVWBTTYJBAA-OAHLLOKOSA-N 0 1 358.413 2.531 20 10 FFCDMN O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000276606505 510942955 /nfs/dbraw/zinc/94/29/55/510942955.db2.gz OZCNVWBTTYJBAA-OAHLLOKOSA-N 0 1 358.413 2.531 20 10 FFCDMN COC1CCN(c2ccc(CN3CCC[C@H]3C(=O)NC3CC3)cc2)CC1 ZINC000297543432 510985260 /nfs/dbraw/zinc/98/52/60/510985260.db2.gz QFIKLJKVSNJGMV-FQEVSTJZSA-N 0 1 357.498 2.545 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278251233 510986537 /nfs/dbraw/zinc/98/65/37/510986537.db2.gz PDXYGGHOSXXJTL-NSHDSACASA-N 0 1 369.418 2.654 20 10 FFCDMN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(OC)c1O ZINC000271010000 511056316 /nfs/dbraw/zinc/05/63/16/511056316.db2.gz PBZZQFLOJFOREH-UHFFFAOYSA-N 0 1 372.421 2.633 20 10 FFCDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000289575452 511105313 /nfs/dbraw/zinc/10/53/13/511105313.db2.gz JRCPNXTZHGQDGF-AWEZNQCLSA-N 0 1 367.751 2.982 20 10 FFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000291669247 511290476 /nfs/dbraw/zinc/29/04/76/511290476.db2.gz WECGZKXFFMYUCZ-ZDUSSCGKSA-N 0 1 361.383 2.782 20 10 FFCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000284363227 511697646 /nfs/dbraw/zinc/69/76/46/511697646.db2.gz NDILICIDNLMAET-ITDIGPHOSA-N 0 1 360.292 2.963 20 10 FFCDMN CCOC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436016008 513737439 /nfs/dbraw/zinc/73/74/39/513737439.db2.gz PJAIAAKSDZVFGI-INIZCTEOSA-N 0 1 357.498 2.949 20 10 FFCDMN CCO[C@@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000514708052 517013942 /nfs/dbraw/zinc/01/39/42/517013942.db2.gz LIDMSGZSYDRUJV-YLJYHZDGSA-N 0 1 355.482 2.701 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC2(C)COC2)C1 ZINC000628683795 523679214 /nfs/dbraw/zinc/67/92/14/523679214.db2.gz UHQZNIDMLYBDGS-UHFFFAOYSA-N 0 1 369.509 2.903 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000740098750 600281653 /nfs/dbraw/zinc/28/16/53/600281653.db2.gz UAMMNHLRUHYLNJ-OAHLLOKOSA-N 0 1 368.433 2.830 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000833874417 605464104 /nfs/dbraw/zinc/46/41/04/605464104.db2.gz LWXUWLMEDVPUQV-UHFFFAOYSA-N 0 1 356.426 2.640 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092733962 728470420 /nfs/dbraw/zinc/47/04/20/728470420.db2.gz IJHOAAIDPQSQHT-NSHDSACASA-N 0 1 355.822 2.692 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000106819835 728512066 /nfs/dbraw/zinc/51/20/66/728512066.db2.gz QEDSYAIKWLAGOH-CQSZACIVSA-N 0 1 360.527 2.521 20 10 FFCDMN O=C1OCc2c1cccc2S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000111995358 728540353 /nfs/dbraw/zinc/54/03/53/728540353.db2.gz VHBZBGGASAAPPR-UHFFFAOYSA-N 0 1 358.419 2.758 20 10 FFCDMN O[C@@H]([C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000123706170 728661733 /nfs/dbraw/zinc/66/17/33/728661733.db2.gz QHJPQHBFIAYMSN-CVEARBPZSA-N 0 1 362.367 2.550 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[NH+](CC3CCOCC3)CC2)c1[O-] ZINC000177203040 729131123 /nfs/dbraw/zinc/13/11/23/729131123.db2.gz QSPYHJRLBLYXKM-UHFFFAOYSA-N 0 1 366.889 2.792 20 10 FFCDMN CCCS(=O)(=O)NC1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000180021326 729201064 /nfs/dbraw/zinc/20/10/64/729201064.db2.gz KKRGXOWJSMGLBT-UHFFFAOYSA-N 0 1 367.559 2.827 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3csnc3C)cc2F)CC1 ZINC000181962165 729264929 /nfs/dbraw/zinc/26/49/29/729264929.db2.gz OXNOGNRQZKPUEE-UHFFFAOYSA-N 0 1 362.474 2.663 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(Cl)Cl)CC2)cc1 ZINC000182524488 729280937 /nfs/dbraw/zinc/28/09/37/729280937.db2.gz XESGQLVWODTSLB-UHFFFAOYSA-N 0 1 374.312 2.517 20 10 FFCDMN Oc1cc(F)c(Cl)cc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856536411 730345381 /nfs/dbraw/zinc/34/53/81/730345381.db2.gz SPPWPIXPIZGCHF-UONOGXRCSA-N 0 1 363.820 2.535 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858142661 730417779 /nfs/dbraw/zinc/41/77/79/730417779.db2.gz ISFBWDWQLZRNMQ-MNOVXSKESA-N 0 1 362.289 2.600 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000858151109 730417916 /nfs/dbraw/zinc/41/79/16/730417916.db2.gz TXCOUPFAHPMSTJ-LBPRGKRZSA-N 0 1 356.260 2.973 20 10 FFCDMN CCN1CCN(c2ccc(CNc3cc(Cl)nc(=O)[nH]3)cc2F)CC1 ZINC000858399429 730424740 /nfs/dbraw/zinc/42/47/40/730424740.db2.gz FAHJKNUMLNPDGU-UHFFFAOYSA-N 0 1 365.840 2.729 20 10 FFCDMN O=C(C1CC[NH+](Cc2c([O-])cccc2Br)CC1)N1CCCC1 ZINC000862216959 730676885 /nfs/dbraw/zinc/67/68/85/730676885.db2.gz QOAVQWBOIJNFGE-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862243677 730680748 /nfs/dbraw/zinc/68/07/48/730680748.db2.gz OYYJHMFUJVMTDM-ZDUSSCGKSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862243677 730680749 /nfs/dbraw/zinc/68/07/49/730680749.db2.gz OYYJHMFUJVMTDM-ZDUSSCGKSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253060 730682797 /nfs/dbraw/zinc/68/27/97/730682797.db2.gz KPYHHMLHQAEWJS-RISCZKNCSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253060 730682799 /nfs/dbraw/zinc/68/27/99/730682799.db2.gz KPYHHMLHQAEWJS-RISCZKNCSA-N 0 1 353.260 2.645 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862388295 730695940 /nfs/dbraw/zinc/69/59/40/730695940.db2.gz ZOIUSZQVLDORBS-PELKAZGASA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862388295 730695941 /nfs/dbraw/zinc/69/59/41/730695941.db2.gz ZOIUSZQVLDORBS-PELKAZGASA-N 0 1 354.166 2.900 20 10 FFCDMN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000862516622 730706077 /nfs/dbraw/zinc/70/60/77/730706077.db2.gz WDFUCZRKAKIXQT-FZMZJTMJSA-N 0 1 372.259 2.603 20 10 FFCDMN CCCC1=C(C(=O)OC)[C@@H](c2cc(F)c(N(C)C)cc2F)NC(=S)N1 ZINC000863391321 730775553 /nfs/dbraw/zinc/77/55/53/730775553.db2.gz JLBSZQBDTPMSDL-OAHLLOKOSA-N 0 1 369.437 2.777 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863739256 730805556 /nfs/dbraw/zinc/80/55/56/730805556.db2.gz JOVGWXHJFXXDGS-JOYOIKCWSA-N 0 1 358.232 2.706 20 10 FFCDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753077 732276845 /nfs/dbraw/zinc/27/68/45/732276845.db2.gz IDJUTOYTICGQCL-LLVKDONJSA-N 0 1 350.325 2.660 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000877567574 732389605 /nfs/dbraw/zinc/38/96/05/732389605.db2.gz YKIRYVIMDUYGJK-ONGXEEELSA-N 0 1 364.314 2.513 20 10 FFCDMN O=S1(=O)C[C@@H]2CCN(Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000877793009 732433144 /nfs/dbraw/zinc/43/31/44/732433144.db2.gz LSUQHFWMYGTFLZ-PKOBYXMFSA-N 0 1 357.475 2.926 20 10 FFCDMN O=C1N[C@H](c2cccc(Br)c2O)N2CCc3ccccc3[C@@H]12 ZINC000877855819 732445281 /nfs/dbraw/zinc/44/52/81/732445281.db2.gz KFSJFOIKSAASMP-HOCLYGCPSA-N 0 1 359.223 2.883 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000781902603 738669620 /nfs/dbraw/zinc/66/96/20/738669620.db2.gz RBWGKXDRHYAEEV-HNNXBMFYSA-N 0 1 369.303 2.760 20 10 FFCDMN C[C@@H]1COCC[C@@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000882197746 733187385 /nfs/dbraw/zinc/18/73/85/733187385.db2.gz MEBGWOKVUUQTFV-PELKAZGASA-N 0 1 354.255 2.543 20 10 FFCDMN C[N@@H+]1CCn2nc(NCc3cc(Br)cc(F)c3[O-])cc2C1 ZINC000883199307 733350174 /nfs/dbraw/zinc/35/01/74/733350174.db2.gz ARJAEJQALZBSCC-UHFFFAOYSA-N 0 1 355.211 2.548 20 10 FFCDMN C[N@H+]1CCn2nc(NCc3cc(Br)cc(F)c3[O-])cc2C1 ZINC000883199307 733350175 /nfs/dbraw/zinc/35/01/75/733350175.db2.gz ARJAEJQALZBSCC-UHFFFAOYSA-N 0 1 355.211 2.548 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCCS3)cc2F)CC1 ZINC000783047955 738775533 /nfs/dbraw/zinc/77/55/33/738775533.db2.gz XSZACXYFUPULIO-SFHVURJKSA-N 0 1 365.518 2.870 20 10 FFCDMN C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889665791 734206155 /nfs/dbraw/zinc/20/61/55/734206155.db2.gz XWTZRDRLFGPXTI-CYBMUJFWSA-N 0 1 358.408 2.579 20 10 FFCDMN CC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213140 734362787 /nfs/dbraw/zinc/36/27/87/734362787.db2.gz XTFIDKZKEMCJDL-UHFFFAOYSA-N 0 1 361.667 2.862 20 10 FFCDMN CC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213140 734362790 /nfs/dbraw/zinc/36/27/90/734362790.db2.gz XTFIDKZKEMCJDL-UHFFFAOYSA-N 0 1 361.667 2.862 20 10 FFCDMN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000725847743 734395769 /nfs/dbraw/zinc/39/57/69/734395769.db2.gz PLRAHDAOSYKWOY-UHFFFAOYSA-N 0 1 365.861 2.780 20 10 FFCDMN COc1ccc(CN2CCN(CCc3cccs3)CC2)c(O)c1OC ZINC000891629969 734454026 /nfs/dbraw/zinc/45/40/26/734454026.db2.gz AQMQTWDJJLFGPI-UHFFFAOYSA-N 0 1 362.495 2.831 20 10 FFCDMN CCOc1ccc(N(CC)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000727127994 734467074 /nfs/dbraw/zinc/46/70/74/734467074.db2.gz IQUANCZHKJWAKQ-UHFFFAOYSA-N 0 1 359.451 2.934 20 10 FFCDMN CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)cc(F)c1O ZINC000894061907 734795467 /nfs/dbraw/zinc/79/54/67/734795467.db2.gz PTCJSDWYCKVFHC-UHFFFAOYSA-N 0 1 368.268 2.549 20 10 FFCDMN CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(F)c1[O-] ZINC000894061907 734795469 /nfs/dbraw/zinc/79/54/69/734795469.db2.gz PTCJSDWYCKVFHC-UHFFFAOYSA-N 0 1 368.268 2.549 20 10 FFCDMN CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(F)c1[O-] ZINC000894061907 734795470 /nfs/dbraw/zinc/79/54/70/734795470.db2.gz PTCJSDWYCKVFHC-UHFFFAOYSA-N 0 1 368.268 2.549 20 10 FFCDMN Brc1ccc(CNCc2ccc(N3CCOCC3)cc2)nc1 ZINC000733798565 734848907 /nfs/dbraw/zinc/84/89/07/734848907.db2.gz VTCXJUUIMHUCKC-UHFFFAOYSA-N 0 1 362.271 2.971 20 10 FFCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000740706330 735082207 /nfs/dbraw/zinc/08/22/07/735082207.db2.gz XGMMDVTUBDIAAZ-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897177357 735201644 /nfs/dbraw/zinc/20/16/44/735201644.db2.gz OAEVCYMHCXRKRQ-CYBMUJFWSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897177357 735201649 /nfs/dbraw/zinc/20/16/49/735201649.db2.gz OAEVCYMHCXRKRQ-CYBMUJFWSA-N 0 1 370.287 2.908 20 10 FFCDMN COc1cc(Br)cc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000897392175 735228343 /nfs/dbraw/zinc/22/83/43/735228343.db2.gz QEAIWHCJUVCSQU-UHFFFAOYSA-N 0 1 353.216 2.896 20 10 FFCDMN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000901127131 735747101 /nfs/dbraw/zinc/74/71/01/735747101.db2.gz INSFFNKKUNYEJQ-RCBQFDQVSA-N 0 1 354.878 2.533 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000750058003 735768400 /nfs/dbraw/zinc/76/84/00/735768400.db2.gz OUYRLOUHQGZUDT-UHFFFAOYSA-N 0 1 369.845 2.792 20 10 FFCDMN CC(=O)NC1CCC([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000753591454 736080139 /nfs/dbraw/zinc/08/01/39/736080139.db2.gz SWXJDFAVYBUNNQ-UHFFFAOYSA-N 0 1 355.822 2.833 20 10 FFCDMN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552736 736342281 /nfs/dbraw/zinc/34/22/81/736342281.db2.gz HBWZVDAYQBENFY-VXGBXAGGSA-N 0 1 374.298 2.580 20 10 FFCDMN CN1CCN(c2ccc(CNC(=S)NCc3cccs3)cc2)CC1 ZINC000905528649 736352307 /nfs/dbraw/zinc/35/23/07/736352307.db2.gz GWWOBIAVKWDDSK-UHFFFAOYSA-N 0 1 360.552 2.664 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000757654703 736416383 /nfs/dbraw/zinc/41/63/83/736416383.db2.gz NHSQYGJYVOQPGM-JQWIXIFHSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000757653554 736416460 /nfs/dbraw/zinc/41/64/60/736416460.db2.gz JLKQAGUGIMOMTG-ZYHUDNBSSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000757653552 736416480 /nfs/dbraw/zinc/41/64/80/736416480.db2.gz JLKQAGUGIMOMTG-PWSUYJOCSA-N 0 1 362.289 2.773 20 10 FFCDMN C[N@H+](CCNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764781081 737048893 /nfs/dbraw/zinc/04/88/93/737048893.db2.gz VYZWZEIXQHELAS-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN C[N@@H+](CCNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764781081 737048897 /nfs/dbraw/zinc/04/88/97/737048897.db2.gz VYZWZEIXQHELAS-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290080 737105631 /nfs/dbraw/zinc/10/56/31/737105631.db2.gz HECARVVTPWUALA-IINYFYTJSA-N 0 1 352.784 2.750 20 10 FFCDMN O=C(Cc1[nH]nc2ccccc21)NCc1cccc(Br)c1O ZINC000765726015 737149712 /nfs/dbraw/zinc/14/97/12/737149712.db2.gz CBNVBGLQKZECMX-UHFFFAOYSA-N 0 1 360.211 2.890 20 10 FFCDMN COc1cc(O)c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1OC ZINC000767513139 737334371 /nfs/dbraw/zinc/33/43/71/737334371.db2.gz MLZBBPCKBWXWFL-MRXNPFEDSA-N 0 1 363.376 2.935 20 10 FFCDMN COc1cc(Br)cc(CN2CCC(CNC(C)=O)CC2)c1O ZINC000769060602 737490883 /nfs/dbraw/zinc/49/08/83/737490883.db2.gz QBFWXKUMTZIOIV-UHFFFAOYSA-N 0 1 371.275 2.511 20 10 FFCDMN CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054984 737689943 /nfs/dbraw/zinc/68/99/43/737689943.db2.gz ASGXYEDUFBCOGD-ZMSDIMECSA-N 0 1 352.862 2.551 20 10 FFCDMN CC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000771067236 737691520 /nfs/dbraw/zinc/69/15/20/737691520.db2.gz UJKSREUJFZNGEY-MRXNPFEDSA-N 0 1 366.889 2.943 20 10 FFCDMN CN1CCN(c2ccc(/C=C3\N=C(c4ccsc4)OC3=O)cc2)CC1 ZINC000771518683 737732129 /nfs/dbraw/zinc/73/21/29/737732129.db2.gz ALWIDFBRIALPRG-ATVHPVEESA-N 0 1 353.447 2.844 20 10 FFCDMN O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789946858 739399140 /nfs/dbraw/zinc/39/91/40/739399140.db2.gz MUPVAQJARBBMAL-LBPRGKRZSA-N 0 1 350.415 2.865 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)c1cccc(-c2nnc[nH]2)c1 ZINC000804735417 740900712 /nfs/dbraw/zinc/90/07/12/740900712.db2.gz XXGMWOCJBOWFSE-UHFFFAOYSA-N 0 1 373.210 2.870 20 10 FFCDMN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805036212 740928957 /nfs/dbraw/zinc/92/89/57/740928957.db2.gz AJTGRDZBNXNYFD-RKDXNWHRSA-N 0 1 362.257 2.801 20 10 FFCDMN Cn1ncc(Cl)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134541 740943650 /nfs/dbraw/zinc/94/36/50/740943650.db2.gz CCAXGJCJTWQMMW-UHFFFAOYSA-N 0 1 370.645 2.564 20 10 FFCDMN CCn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)nc1C ZINC000805135543 740943752 /nfs/dbraw/zinc/94/37/52/740943752.db2.gz NRQAHUBCDBILHZ-UHFFFAOYSA-N 0 1 364.254 2.702 20 10 FFCDMN CCC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805207786 740949988 /nfs/dbraw/zinc/94/99/88/740949988.db2.gz ZEANWOPZROKYHX-NSHDSACASA-N 0 1 360.241 2.509 20 10 FFCDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000807550298 741140421 /nfs/dbraw/zinc/14/04/21/741140421.db2.gz PUBQKMLFFIHRRG-ZDUSSCGKSA-N 0 1 370.291 2.828 20 10 FFCDMN CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000807550298 741140423 /nfs/dbraw/zinc/14/04/23/741140423.db2.gz PUBQKMLFFIHRRG-ZDUSSCGKSA-N 0 1 370.291 2.828 20 10 FFCDMN COCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)n1 ZINC000807836601 741162887 /nfs/dbraw/zinc/16/28/87/741162887.db2.gz GZIMIQURHJKUDP-UHFFFAOYSA-N 0 1 358.225 2.780 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(c2cccnc2)=NO1 ZINC000807838826 741162933 /nfs/dbraw/zinc/16/29/33/741162933.db2.gz RQZRWSUUWZQDOI-CQSZACIVSA-N 0 1 366.204 2.903 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000809708817 741334711 /nfs/dbraw/zinc/33/47/11/741334711.db2.gz HZXRSNLOOILSME-CABCVRRESA-N 0 1 368.861 2.915 20 10 FFCDMN CC[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C)S1(=O)=O ZINC000809725179 741337297 /nfs/dbraw/zinc/33/72/97/741337297.db2.gz KUVISXBSHYXQCA-PWSUYJOCSA-N 0 1 362.289 2.552 20 10 FFCDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809779411 741342864 /nfs/dbraw/zinc/34/28/64/741342864.db2.gz LZMOKFNORGWWGX-LBPRGKRZSA-N 0 1 357.794 2.664 20 10 FFCDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809779375 741342877 /nfs/dbraw/zinc/34/28/77/741342877.db2.gz LBBBFOYKIKFGCV-GFCCVEGCSA-N 0 1 357.248 2.865 20 10 FFCDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000813334544 741702441 /nfs/dbraw/zinc/70/24/41/741702441.db2.gz OVYNLUNQDDTSKT-UHFFFAOYSA-N 0 1 367.902 2.685 20 10 FFCDMN C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCN(C)CC1 ZINC000815575833 741946059 /nfs/dbraw/zinc/94/60/59/741946059.db2.gz BKPPSIZYEYNUQT-ZIAGYGMSSA-N 0 1 359.436 2.945 20 10 FFCDMN C[C@H](O)[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OCc1ccccc1 ZINC000816625859 742048366 /nfs/dbraw/zinc/04/83/66/742048366.db2.gz PARAXYUDERTPNS-GTNSWQLSSA-N 0 1 367.804 2.767 20 10 FFCDMN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cs2)cc1 ZINC000817940952 742223222 /nfs/dbraw/zinc/22/32/22/742223222.db2.gz QGJVEOZBCFQNCG-CQSZACIVSA-N 0 1 353.451 2.847 20 10 FFCDMN COc1cc(Br)cc(CN2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504222 742745517 /nfs/dbraw/zinc/74/55/17/742745517.db2.gz PJHVVRODKVLGAK-ZDUSSCGKSA-N 0 1 367.247 2.592 20 10 FFCDMN CCN(Cc1ccnc(OC)n1)Cc1cc(Br)ccc1O ZINC000823477026 742922312 /nfs/dbraw/zinc/92/23/12/742922312.db2.gz HSHVALICWCNWQW-UHFFFAOYSA-N 0 1 352.232 2.975 20 10 FFCDMN O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000824807710 743152455 /nfs/dbraw/zinc/15/24/55/743152455.db2.gz HHZNDLIFNAYYJD-AWEZNQCLSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000824807710 743152459 /nfs/dbraw/zinc/15/24/59/743152459.db2.gz HHZNDLIFNAYYJD-AWEZNQCLSA-N 0 1 367.287 2.989 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000825132277 743216072 /nfs/dbraw/zinc/21/60/72/743216072.db2.gz ZZPVOKVAVCVURD-QGZVFWFLSA-N 0 1 356.919 2.652 20 10 FFCDMN Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825326166 743248549 /nfs/dbraw/zinc/24/85/49/743248549.db2.gz KLAFKFNEBHSADU-DZGCQCFKSA-N 0 1 366.259 2.898 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825376019 743258282 /nfs/dbraw/zinc/25/82/82/743258282.db2.gz USSKROIDBGFEJP-LBPRGKRZSA-N 0 1 350.768 2.997 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000825391595 743261577 /nfs/dbraw/zinc/26/15/77/743261577.db2.gz YNRUUWCXFQJBGN-WBVHZDCISA-N 0 1 366.255 2.729 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Cl ZINC000825405845 743264769 /nfs/dbraw/zinc/26/47/69/743264769.db2.gz KZYHXBXTROQTJQ-AWEZNQCLSA-N 0 1 350.821 2.927 20 10 FFCDMN C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[O-] ZINC000825721268 743317896 /nfs/dbraw/zinc/31/78/96/743317896.db2.gz OZVDTJMBBAAAOY-ZDUSSCGKSA-N 0 1 369.303 2.840 20 10 FFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[O-] ZINC000825721268 743317901 /nfs/dbraw/zinc/31/79/01/743317901.db2.gz OZVDTJMBBAAAOY-ZDUSSCGKSA-N 0 1 369.303 2.840 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000826024191 743357725 /nfs/dbraw/zinc/35/77/25/743357725.db2.gz VFXKMDBWNWBTLH-HOTGVXAUSA-N 0 1 356.260 2.564 20 10 FFCDMN COCCN(Cc1ccc(Br)cc1O)C[C@@H](O)C(F)(F)F ZINC000826534458 743391935 /nfs/dbraw/zinc/39/19/35/743391935.db2.gz GTBKPSDTCNMAQB-GFCCVEGCSA-N 0 1 372.181 2.526 20 10 FFCDMN CN(C)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000827118611 743511030 /nfs/dbraw/zinc/51/10/30/743511030.db2.gz DKMGOKNECBCJGC-MRXNPFEDSA-N 0 1 357.420 2.678 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000827687494 744960751 /nfs/dbraw/zinc/96/07/51/744960751.db2.gz QVGMPFNXWWJIPY-ZDUSSCGKSA-N 0 1 355.276 2.891 20 10 FFCDMN CCOc1ccc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)nn1 ZINC000827797674 744980304 /nfs/dbraw/zinc/98/03/04/744980304.db2.gz CKUHFRPCQHQNGR-UHFFFAOYSA-N 0 1 366.824 2.696 20 10 FFCDMN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000839148841 746789060 /nfs/dbraw/zinc/78/90/60/746789060.db2.gz NHZLDPOMEPKQIO-UHFFFAOYSA-N 0 1 354.859 2.634 20 10 FFCDMN CCNS(=O)(=O)c1cccc(CNCc2c(O)cccc2Cl)c1 ZINC000839148841 746789065 /nfs/dbraw/zinc/78/90/65/746789065.db2.gz NHZLDPOMEPKQIO-UHFFFAOYSA-N 0 1 354.859 2.634 20 10 FFCDMN Cc1nn(C)cc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761070 747175751 /nfs/dbraw/zinc/17/57/51/747175751.db2.gz PJLODDVPQAGRQI-LBPRGKRZSA-N 0 1 350.413 2.694 20 10 FFCDMN O=C(NCCO[C@H]1CC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000852528566 749884719 /nfs/dbraw/zinc/88/47/19/749884719.db2.gz WIDCVCVJJQEVRQ-JTQLQIEISA-N 0 1 355.168 2.922 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852696194 749927447 /nfs/dbraw/zinc/92/74/47/749927447.db2.gz WEPDTGAIRJTQGE-CYBMUJFWSA-N 0 1 352.862 2.985 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852696194 749927452 /nfs/dbraw/zinc/92/74/52/749927452.db2.gz WEPDTGAIRJTQGE-CYBMUJFWSA-N 0 1 352.862 2.985 20 10 FFCDMN CN(C)c1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000161407442 845690194 /nfs/dbraw/zinc/69/01/94/845690194.db2.gz DWVXGOPVLDFVPF-UHFFFAOYSA-N 0 1 356.245 2.711 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000840377202 971185572 /nfs/dbraw/zinc/18/55/72/971185572.db2.gz PNGBAZIMRQGSRP-HOCLYGCPSA-N 0 1 355.486 2.572 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccc(F)cc1O ZINC001603242511 972391772 /nfs/dbraw/zinc/39/17/72/972391772.db2.gz HFDRRXZEKSLFJO-BJOOFOGMSA-N 0 1 372.396 2.609 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@@H](O)C2)C1 ZINC000683501864 960794674 /nfs/dbraw/zinc/79/46/74/960794674.db2.gz ZVUUZNHDGXQEHJ-IAGOWNOFSA-N 0 1 369.509 2.685 20 10 FFCDMN O=C1N(Cc2ccncc2)CC[C@@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276037369 1013300047 /nfs/dbraw/zinc/30/00/47/1013300047.db2.gz HPIJNSWUDNOTBL-HXUWFJFHSA-N 0 1 355.413 2.551 20 10 FFCDMN CC(C)(C)C(=O)CN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276031198 1013297937 /nfs/dbraw/zinc/29/79/37/1013297937.db2.gz FLKDTOFWNQEBIN-HXUWFJFHSA-N 0 1 362.445 2.571 20 10 FFCDMN O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276038237 1013348801 /nfs/dbraw/zinc/34/88/01/1013348801.db2.gz TWKWTBDLKOGSNE-IBGZPJMESA-N 0 1 359.401 2.677 20 10 FFCDMN CN(C)c1ccc([C@H](CNC(=O)c2cc(C=O)ccc2F)N(C)C)cc1 ZINC000891246867 962567063 /nfs/dbraw/zinc/56/70/63/962567063.db2.gz QQEPCNNWUZHHKA-IBGZPJMESA-N 0 1 357.429 2.737 20 10 FFCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc4c3CC(=O)N4)cc2)CC1 ZINC001167426516 963027189 /nfs/dbraw/zinc/02/71/89/963027189.db2.gz HPEJMLIMZJJOMH-UHFFFAOYSA-N 0 1 371.872 2.594 20 10 FFCDMN COC(=O)c1cc(C)cnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167436873 963263357 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Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178108149 969448908 /nfs/dbraw/zinc/44/89/08/969448908.db2.gz UYNGPKQEEIKBNW-LJQANCHMSA-N 0 1 367.493 2.888 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000066698640 969868382 /nfs/dbraw/zinc/86/83/82/969868382.db2.gz ROYSBAPTALOLCZ-CALCHBBNSA-N 0 1 363.502 2.813 20 10 FFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Cl ZINC001594325540 970206868 /nfs/dbraw/zinc/20/68/68/970206868.db2.gz ZIGZFFNRNBQAEY-JSGCOSHPSA-N 0 1 363.845 2.778 20 10 FFCDMN C[C@H](NC(=O)N(C)CCN1CC2(C1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000875507872 1014036545 /nfs/dbraw/zinc/03/65/45/1014036545.db2.gz MFLGZQRGFCFVRM-KRWDZBQOSA-N 0 1 374.529 2.567 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3O)C2)cn1 ZINC001605487920 973612316 /nfs/dbraw/zinc/61/23/16/973612316.db2.gz AYMSOILJXSAZPO-DLBZAZTESA-N 0 1 365.433 2.969 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000053999558 976092001 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/nfs/dbraw/zinc/01/60/42/986016042.db2.gz XVALMFGXUOQOFO-UHFFFAOYSA-N 0 1 374.916 2.725 20 10 FFCDMN COc1ccc(N2CCN(CCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000174651856 986411149 /nfs/dbraw/zinc/41/11/49/986411149.db2.gz XEJUUVATPDLTJU-UHFFFAOYSA-N 0 1 369.465 2.855 20 10 FFCDMN c1ccc(OCc2nnc(C[NH2+]Cc3ccc4c(c3)CCCO4)[n-]2)cc1 ZINC000922008506 987498255 /nfs/dbraw/zinc/49/82/55/987498255.db2.gz LGOPWAFHZNFLLY-UHFFFAOYSA-N 0 1 350.422 2.999 20 10 FFCDMN COc1ccc(N2CCN(C(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)CC2)cc1F ZINC000879119652 1015372676 /nfs/dbraw/zinc/37/26/76/1015372676.db2.gz QRIKGEQKFVDNOH-BFUOFWGJSA-N 0 1 372.444 2.572 20 10 FFCDMN COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Br)cc(F)c1O ZINC001235068432 988356296 /nfs/dbraw/zinc/35/62/96/988356296.db2.gz HPDZYIDWVQCCQZ-JTQLQIEISA-N 0 1 368.149 2.676 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)C)CC2)cc1 ZINC000193574422 988639556 /nfs/dbraw/zinc/63/95/56/988639556.db2.gz NAESNWQFPDTQFI-UHFFFAOYSA-N 0 1 362.518 2.553 20 10 FFCDMN O=C(Nc1nncs1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000919945794 990767620 /nfs/dbraw/zinc/76/76/20/990767620.db2.gz OXIHENHESFIKPA-UHFFFAOYSA-N 0 1 369.450 2.643 20 10 FFCDMN CCn1c2nnc(CN[C@H](C)c3ccccc3O)n2c2ccccc2c1=O ZINC000879648528 1015625514 /nfs/dbraw/zinc/62/55/14/1015625514.db2.gz SHSAVPKUBGSYHJ-CYBMUJFWSA-N 0 1 363.421 2.621 20 10 FFCDMN c1ccc(C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000181925129 991925999 /nfs/dbraw/zinc/92/59/99/991925999.db2.gz ZNSISVPUNIEMON-QFIPXVFZSA-N 0 1 352.478 2.967 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3ccccc3OCC(=O)[O-])CC2)cc1F ZINC001599586520 993621151 /nfs/dbraw/zinc/62/11/51/993621151.db2.gz SRJIYXGVYWYWHB-UHFFFAOYSA-N 0 1 374.412 2.620 20 10 FFCDMN COC(=O)c1ccc(CNCc2cc(OC)c(OC)cc2O)nc1C1CC1 ZINC000809758908 994605312 /nfs/dbraw/zinc/60/53/12/994605312.db2.gz XLKZRHWMVRQTIO-UHFFFAOYSA-N 0 1 372.421 2.758 20 10 FFCDMN CN1CCN(c2ccc(CN3CCC(=O)Nc4ccccc43)cc2)CC1 ZINC000811508108 995170845 /nfs/dbraw/zinc/17/08/45/995170845.db2.gz AISBOPNVVXARAB-UHFFFAOYSA-N 0 1 350.466 2.787 20 10 FFCDMN Cn1ccnc1[C@@H]1N(Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000824620311 997034738 /nfs/dbraw/zinc/03/47/38/997034738.db2.gz JHRXMMKVWJIUAB-IBGZPJMESA-N 0 1 353.514 2.755 20 10 FFCDMN COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(C)C[C@@H]3C(C)C)C2)cc1 ZINC000824692743 997057705 /nfs/dbraw/zinc/05/77/05/997057705.db2.gz HLHJMPMBQWOPEC-FXAWDEMLSA-N 0 1 374.529 2.503 20 10 FFCDMN COCCC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599222834 997701337 /nfs/dbraw/zinc/70/13/37/997701337.db2.gz KLJPXGTXAYSNFX-UHFFFAOYSA-N 0 1 358.438 2.943 20 10 FFCDMN COCCC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599222834 997701345 /nfs/dbraw/zinc/70/13/45/997701345.db2.gz KLJPXGTXAYSNFX-UHFFFAOYSA-N 0 1 358.438 2.943 20 10 FFCDMN COc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1OC ZINC000844743436 998110866 /nfs/dbraw/zinc/11/08/66/998110866.db2.gz XOHUIVPMMYDLLK-SFHVURJKSA-N 0 1 356.466 2.768 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)C[C@H]3C)CC2)cc1 ZINC000741076378 999707504 /nfs/dbraw/zinc/70/75/04/999707504.db2.gz RKYUVAGCTUOFDB-QZTJIDSGSA-N 0 1 374.529 2.647 20 10 FFCDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846234687 1000239793 /nfs/dbraw/zinc/23/97/93/1000239793.db2.gz VWZAOEZMUIKMFK-INIZCTEOSA-N 0 1 352.394 2.779 20 10 FFCDMN C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]1c1cccc(F)c1 ZINC000846251872 1000245742 /nfs/dbraw/zinc/24/57/42/1000245742.db2.gz LSVSOJMRVWBRTK-DIFFPNOSSA-N 0 1 370.384 2.855 20 10 FFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1/C=C/c1ccccc1)cc2=O ZINC000846257253 1000247242 /nfs/dbraw/zinc/24/72/42/1000247242.db2.gz NYMOROYEYIPNLP-FDMDGMSGSA-N 0 1 364.405 2.811 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCn2cccn2)C1 ZINC000769664110 1000571940 /nfs/dbraw/zinc/57/19/40/1000571940.db2.gz WTHZMWGGLPWKHV-UHFFFAOYSA-N 0 1 366.465 2.848 20 10 FFCDMN COC(=O)c1ccc2c(c1)CN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000770651429 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CCOC(=O)c1nnc([C@H](CC(C)C)[NH2+]Cc2cccc(F)c2O)[n-]1 ZINC001182653189 1002002276 /nfs/dbraw/zinc/00/22/76/1002002276.db2.gz GOHADPQBCSQSLC-ZDUSSCGKSA-N 0 1 350.394 2.703 20 10 FFCDMN C=C/C(C)=C\CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000789946405 1002236404 /nfs/dbraw/zinc/23/64/04/1002236404.db2.gz HACOHOGJQJMTJS-FXBPXSCXSA-N 0 1 357.498 2.846 20 10 FFCDMN COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(OC)c1 ZINC000827012347 1016623848 /nfs/dbraw/zinc/62/38/48/1016623848.db2.gz WOMAORDGDLNEDY-OAHLLOKOSA-N 0 1 362.382 2.795 20 10 FFCDMN CC1CCN(c2ccc(CNC(=O)NCCN3CC=CCC3)cc2)CC1 ZINC000792998204 1003254735 /nfs/dbraw/zinc/25/47/35/1003254735.db2.gz SGEPXYZEBWXFHE-UHFFFAOYSA-N 0 1 356.514 2.984 20 10 FFCDMN Cn1cc(-c2cc3c(nn2)CCN(Cc2cc(Cl)c(F)cc2O)C3)cn1 ZINC000828108461 1003777698 /nfs/dbraw/zinc/77/76/98/1003777698.db2.gz KUWHYZZTKHRBFJ-UHFFFAOYSA-N 0 1 373.819 2.934 20 10 FFCDMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc(O)c1O ZINC001196551725 1003838826 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FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001139131337 1034961400 /nfs/dbraw/zinc/96/14/00/1034961400.db2.gz NSTLNQIPYFAFSK-SFHVURJKSA-N 0 1 352.390 2.776 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001139131337 1034961406 /nfs/dbraw/zinc/96/14/06/1034961406.db2.gz NSTLNQIPYFAFSK-SFHVURJKSA-N 0 1 352.390 2.776 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[NH+]2CCN(C3CCOCC3)CC2)c1O ZINC000833308832 1035155902 /nfs/dbraw/zinc/15/59/02/1035155902.db2.gz XSKVAQZVVHVQFH-UHFFFAOYSA-N 0 1 370.449 2.540 20 10 FFCDMN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2c(F)ccc(F)c2[O-])n1 ZINC001139681675 1035196645 /nfs/dbraw/zinc/19/66/45/1035196645.db2.gz AYZIKXLIVZJSOH-ZWKOTPCHSA-N 0 1 373.403 2.749 20 10 FFCDMN C[N@H+](Cc1c(F)ccc(F)c1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139685491 1035197702 /nfs/dbraw/zinc/19/77/02/1035197702.db2.gz LNHMDGJVKBTGGB-LBPRGKRZSA-N 0 1 372.412 2.738 20 10 FFCDMN CC(C)(C(N)=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC001140101495 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FFCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001232266973 1035537700 /nfs/dbraw/zinc/53/77/00/1035537700.db2.gz UFXBUPPEHLALFV-QWHCGFSZSA-N 0 1 360.841 2.835 20 10 FFCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001232266973 1035537712 /nfs/dbraw/zinc/53/77/12/1035537712.db2.gz UFXBUPPEHLALFV-QWHCGFSZSA-N 0 1 360.841 2.835 20 10 FFCDMN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4c([O-])cc(F)cc4F)C[C@@H]32)N=C1C ZINC001140580559 1035658453 /nfs/dbraw/zinc/65/84/53/1035658453.db2.gz HBDHWWPGIGIHAT-XFHNUULXSA-N 0 1 363.408 2.532 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001277231926 1035675087 /nfs/dbraw/zinc/67/50/87/1035675087.db2.gz HXYMJIIETVWNIN-LJQANCHMSA-N 0 1 364.873 2.649 20 10 FFCDMN COCCCN1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1=O ZINC001277232461 1035679965 /nfs/dbraw/zinc/67/99/65/1035679965.db2.gz QVMZZQJBZKBZOD-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN CC[C@@H](COC)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O 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373.497 2.801 20 10 FFCDMN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001233307756 1036511862 /nfs/dbraw/zinc/51/18/62/1036511862.db2.gz PMQKHHGKPVTTCQ-XHVZSJERSA-N 0 1 358.207 2.874 20 10 FFCDMN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333057 1036537628 /nfs/dbraw/zinc/53/76/28/1036537628.db2.gz IDDLEDCCQZKFDJ-YWZLYKJASA-N 0 1 358.388 2.776 20 10 FFCDMN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333908 1036541095 /nfs/dbraw/zinc/54/10/95/1036541095.db2.gz MAVOLPLZEAEWLX-MGPUTAFESA-N 0 1 373.403 2.594 20 10 FFCDMN Cc1ccc(CN2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c(O)c1 ZINC001140950799 1036551001 /nfs/dbraw/zinc/55/10/01/1036551001.db2.gz JGNABWVPEJHPLC-AZUAARDMSA-N 0 1 364.445 2.850 20 10 FFCDMN COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)Cc2cn(C)nc21 ZINC001233452744 1036633689 /nfs/dbraw/zinc/63/36/89/1036633689.db2.gz JBBJFVQSJJRYAC-ZDUSSCGKSA-N 0 1 355.360 2.890 20 10 FFCDMN 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QPIGWFONGLLXNB-OAHLLOKOSA-N 0 1 364.442 2.922 20 10 FFCDMN CO[C@H](C[NH+]1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1)c1ccccc1 ZINC001231454123 1037593941 /nfs/dbraw/zinc/59/39/41/1037593941.db2.gz NRWRYOYSLVCNIV-HXUWFJFHSA-N 0 1 370.449 2.596 20 10 FFCDMN CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231453025 1037594541 /nfs/dbraw/zinc/59/45/41/1037594541.db2.gz ADOPNXDLUACTRL-UHFFFAOYSA-N 0 1 350.415 2.580 20 10 FFCDMN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(C(=O)[O-])ccc2O)O1 ZINC001231562486 1037685531 /nfs/dbraw/zinc/68/55/31/1037685531.db2.gz CGJCPQMUNVAPTM-ZHALLVOQSA-N 0 1 363.454 2.885 20 10 FFCDMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C(C)(C)C1 ZINC001231563503 1037687833 /nfs/dbraw/zinc/68/78/33/1037687833.db2.gz BPISHCFIKUSPID-UHFFFAOYSA-N 0 1 364.442 2.922 20 10 FFCDMN COc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)cc1O ZINC001231633940 1037755915 /nfs/dbraw/zinc/75/59/15/1037755915.db2.gz FBDKJXFHLNEBHO-CYBMUJFWSA-N 0 1 366.458 2.795 20 10 FFCDMN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c(C)cc(C)cc2O)C1 ZINC001231850827 1037945279 /nfs/dbraw/zinc/94/52/79/1037945279.db2.gz VFGDYKFXMXXROY-JKSUJKDBSA-N 0 1 357.454 2.962 20 10 FFCDMN CCC[C@H]1CN(Cc2cccc(I)c2[O-])CC[NH2+]1 ZINC001236177676 1037967619 /nfs/dbraw/zinc/96/76/19/1037967619.db2.gz FUNJRRHGHRVAFQ-LBPRGKRZSA-N 0 1 360.239 2.571 20 10 FFCDMN COc1cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001236752290 1038237807 /nfs/dbraw/zinc/23/78/07/1038237807.db2.gz VXEQZSDQYACUFX-GFCCVEGCSA-N 0 1 372.259 2.891 20 10 FFCDMN OC[C@@H]1C[C@H]2OCCN(Cc3cc(OCc4ccccc4)ccc3O)[C@H]2C1 ZINC001236779119 1038263816 /nfs/dbraw/zinc/26/38/16/1038263816.db2.gz QHEXLDNVAJLJTM-RBDMOPTHSA-N 0 1 369.461 2.943 20 10 FFCDMN COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)c(O)c1Cl ZINC001236806352 1038282373 /nfs/dbraw/zinc/28/23/73/1038282373.db2.gz VIRZNOQWXWJLMV-UHFFFAOYSA-N 0 1 350.802 2.605 20 10 FFCDMN COc1ccc(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236811285 1038285266 /nfs/dbraw/zinc/28/52/66/1038285266.db2.gz 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FFCDMN O=c1cccc(CN2C[C@@H]3CC[N@H+](Cc4cc(Cl)ccc4[O-])[C@@H]3C2)[nH]1 ZINC001278568979 1041206684 /nfs/dbraw/zinc/20/66/84/1041206684.db2.gz LYRZKWIBKNZMDX-SUMWQHHRSA-N 0 1 359.857 2.853 20 10 FFCDMN Cc1ncsc1CN1CCO[C@H]2CN(Cc3ccc(N(C)C)cc3)C[C@H]21 ZINC001279149252 1042919655 /nfs/dbraw/zinc/91/96/55/1042919655.db2.gz CJVUAPNMRNLHAM-MOPGFXCFSA-N 0 1 372.538 2.603 20 10 FFCDMN CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)cc1 ZINC001279149407 1042920349 /nfs/dbraw/zinc/92/03/49/1042920349.db2.gz GQMWHKXTDVZTIA-HDICACEKSA-N 0 1 371.447 2.980 20 10 FFCDMN O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001279220816 1042950147 /nfs/dbraw/zinc/95/01/47/1042950147.db2.gz MCBWBOIOPSHPBF-IYBDPMFKSA-N 0 1 358.463 2.577 20 10 FFCDMN Cc1cccc(O)c1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001237494928 1043206242 /nfs/dbraw/zinc/20/62/42/1043206242.db2.gz MYFTYIKWDXVQOT-UHFFFAOYSA-N 0 1 360.479 2.597 20 10 FFCDMN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001279514989 1043211673 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374.529 2.537 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474510623 1065539769 /nfs/dbraw/zinc/53/97/69/1065539769.db2.gz MRNNPSBTRZQIDZ-HOTGVXAUSA-N 0 1 368.861 2.915 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474510623 1065539778 /nfs/dbraw/zinc/53/97/78/1065539778.db2.gz MRNNPSBTRZQIDZ-HOTGVXAUSA-N 0 1 368.861 2.915 20 10 FFCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C)c2c[nH]nn2)ccc1C ZINC001577365002 1078342870 /nfs/dbraw/zinc/34/28/70/1078342870.db2.gz BLSSMXGCJIWCHY-CYBMUJFWSA-N 0 1 351.410 2.824 20 10 FFCDMN O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cc(F)cc(F)c1O ZINC001560898743 1076307490 /nfs/dbraw/zinc/30/74/90/1076307490.db2.gz DDUXQJDZMOYVHG-SFHVURJKSA-N 0 1 358.388 2.876 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1F ZINC001563999086 1076597874 /nfs/dbraw/zinc/59/78/74/1076597874.db2.gz YDZLZOFFIKNYJO-GASCZTMLSA-N 0 1 350.482 2.906 20 10 FFCDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1Cc2cccc(O)c2C1 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/nfs/dbraw/zinc/04/42/36/510044236.db2.gz XLOQBCNVVWLCPR-UHFFFAOYSA-N 0 1 370.449 2.985 20 10 FFCDMN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(Br)cc1[O-] ZINC000184917346 510583392 /nfs/dbraw/zinc/58/33/92/510583392.db2.gz SJNFWXSXVHUNQW-JTQLQIEISA-N 0 1 353.216 2.828 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676772 510728063 /nfs/dbraw/zinc/72/80/63/510728063.db2.gz VLYSGVXVVDMYMC-CYBMUJFWSA-N 0 1 358.417 2.651 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676772 510728070 /nfs/dbraw/zinc/72/80/70/510728070.db2.gz VLYSGVXVVDMYMC-CYBMUJFWSA-N 0 1 358.417 2.651 20 10 FFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000175676772 510728079 /nfs/dbraw/zinc/72/80/79/510728079.db2.gz VLYSGVXVVDMYMC-CYBMUJFWSA-N 0 1 358.417 2.651 20 10 FFCDMN COc1c(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886429 511011878 /nfs/dbraw/zinc/01/18/78/511011878.db2.gz OZNOXZKRQUNOCZ-ZFWWWQNUSA-N 0 1 362.382 2.990 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886429 511011882 /nfs/dbraw/zinc/01/18/82/511011882.db2.gz OZNOXZKRQUNOCZ-ZFWWWQNUSA-N 0 1 362.382 2.990 20 10 FFCDMN COc1cc(O)c(CN2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000270966977 511040589 /nfs/dbraw/zinc/04/05/89/511040589.db2.gz ZPJWOPMIJOTGOI-UHFFFAOYSA-N 0 1 359.422 2.985 20 10 FFCDMN CCCCN(Cc1ccccc1O)C(=O)NCCCCN1CCOCC1 ZINC000282712241 511082021 /nfs/dbraw/zinc/08/20/21/511082021.db2.gz GUEDHHWOLRLRPZ-UHFFFAOYSA-N 0 1 363.502 2.816 20 10 FFCDMN CC(C)c1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000298206416 511208611 /nfs/dbraw/zinc/20/86/11/511208611.db2.gz UIEZCFKLSUEYJA-UHFFFAOYSA-N 0 1 356.474 2.868 20 10 FFCDMN COC1CCN(c2ccc(CN3CCO[C@]4(CCCOC4)C3)cc2)CC1 ZINC000295428074 511401551 /nfs/dbraw/zinc/40/15/51/511401551.db2.gz YUXCWOHDSRHFIA-OAQYLSRUSA-N 0 1 360.498 2.683 20 10 FFCDMN [O-]c1c(F)cccc1C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000272254997 511481084 /nfs/dbraw/zinc/48/10/84/511481084.db2.gz IYXXDYYPXTWJKW-UHFFFAOYSA-N 0 1 355.413 2.771 20 10 FFCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)C3CCC3)CC2)c1O ZINC000363918152 511849494 /nfs/dbraw/zinc/84/94/94/511849494.db2.gz IDNDVLHHUUZEMU-UHFFFAOYSA-N 0 1 352.862 2.935 20 10 FFCDMN CCc1nc(C)c(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)o1 ZINC000293548462 512004959 /nfs/dbraw/zinc/00/49/59/512004959.db2.gz YOVOAEBEKBNBMW-UHFFFAOYSA-N 0 1 374.460 2.756 20 10 FFCDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(O)c1O ZINC000275067689 512032414 /nfs/dbraw/zinc/03/24/14/512032414.db2.gz ANQMSKXZMDEVAO-UHFFFAOYSA-N 0 1 371.437 2.501 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717896 512470020 /nfs/dbraw/zinc/47/00/20/512470020.db2.gz IOCJYTDEMMTQKA-CYBMUJFWSA-N 0 1 373.413 2.684 20 10 FFCDMN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378429815 512755474 /nfs/dbraw/zinc/75/54/74/512755474.db2.gz TWLLJQOCNHBUBM-RCBQFDQVSA-N 0 1 352.862 2.551 20 10 FFCDMN CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC1 ZINC000511560889 515943907 /nfs/dbraw/zinc/94/39/07/515943907.db2.gz PTGXETLWNWOXJC-NRFANRHFSA-N 0 1 369.509 2.949 20 10 FFCDMN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824297056 607485409 /nfs/dbraw/zinc/48/54/09/607485409.db2.gz PAXPWSHONGKQOW-UHFFFAOYSA-N 0 1 351.458 2.738 20 10 FFCDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824297056 607485411 /nfs/dbraw/zinc/48/54/11/607485411.db2.gz PAXPWSHONGKQOW-UHFFFAOYSA-N 0 1 351.458 2.738 20 10 FFCDMN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824297056 607485413 /nfs/dbraw/zinc/48/54/13/607485413.db2.gz PAXPWSHONGKQOW-UHFFFAOYSA-N 0 1 351.458 2.738 20 10 FFCDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824297056 607485414 /nfs/dbraw/zinc/48/54/14/607485414.db2.gz PAXPWSHONGKQOW-UHFFFAOYSA-N 0 1 351.458 2.738 20 10 FFCDMN CC[N@H+](CCCO)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000829709531 601595822 /nfs/dbraw/zinc/59/58/22/601595822.db2.gz MOCPMLBFAKDGAH-UHFFFAOYSA-N 0 1 358.438 2.679 20 10 FFCDMN CC[N@@H+](CCCO)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000829709531 601595825 /nfs/dbraw/zinc/59/58/25/601595825.db2.gz MOCPMLBFAKDGAH-UHFFFAOYSA-N 0 1 358.438 2.679 20 10 FFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833759575 604546951 /nfs/dbraw/zinc/54/69/51/604546951.db2.gz DQHCCYMPUNOXNK-CQSZACIVSA-N 0 1 351.406 2.967 20 10 FFCDMN COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821831913 606417032 /nfs/dbraw/zinc/41/70/32/606417032.db2.gz SHOQTVXKUQSOSR-UHFFFAOYSA-N 0 1 370.482 2.695 20 10 FFCDMN COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821831913 606417033 /nfs/dbraw/zinc/41/70/33/606417033.db2.gz SHOQTVXKUQSOSR-UHFFFAOYSA-N 0 1 370.482 2.695 20 10 FFCDMN Cc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cnc1F ZINC000899260886 735467464 /nfs/dbraw/zinc/46/74/64/735467464.db2.gz UFJFLYQKEXJISV-MDWZMJQESA-N 0 1 351.472 2.825 20 10 FFCDMN O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cccc2nsnc21 ZINC000028082308 727882796 /nfs/dbraw/zinc/88/27/96/727882796.db2.gz YQODWBJJSOCCGN-UHFFFAOYSA-N 0 1 357.420 2.678 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCN1CCOCC1 ZINC000056778742 728104351 /nfs/dbraw/zinc/10/43/51/728104351.db2.gz GOYQOOQZTURXNQ-UHFFFAOYSA-N 0 1 361.511 2.998 20 10 FFCDMN Cc1nccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000134264448 728729283 /nfs/dbraw/zinc/72/92/83/728729283.db2.gz VJMAXXRPONRUFV-OAHLLOKOSA-N 0 1 360.845 2.538 20 10 FFCDMN COC1(OC)CC[C@@H]1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000924718479 738441232 /nfs/dbraw/zinc/44/12/32/738441232.db2.gz YWIXDOKLNGKHIM-LBTNJELSSA-N 0 1 352.450 2.680 20 10 FFCDMN Cn1cc(N2CCC[C@@H]([NH2+]Cc3c([O-])cccc3Br)C2)cn1 ZINC000858146495 730417839 /nfs/dbraw/zinc/41/78/39/730417839.db2.gz ZLPNWSIJKSFANW-GFCCVEGCSA-N 0 1 365.275 2.647 20 10 FFCDMN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858172112 730418726 /nfs/dbraw/zinc/41/87/26/730418726.db2.gz JZKHOTSXEICQOZ-MEDUHNTESA-N 0 1 366.259 2.898 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858186662 730419116 /nfs/dbraw/zinc/41/91/16/730419116.db2.gz IIISGTOPAVUIBO-YWPYICTPSA-N 0 1 358.276 2.810 20 10 FFCDMN COC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862244919 730680993 /nfs/dbraw/zinc/68/09/93/730680993.db2.gz HBVPWYYVVGVSJE-GFCCVEGCSA-N 0 1 354.244 2.930 20 10 FFCDMN O=S(=O)(NC1CC1)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000877386771 732355948 /nfs/dbraw/zinc/35/59/48/732355948.db2.gz WOBAVJRHAMJUSR-UHFFFAOYSA-N 0 1 354.378 2.723 20 10 FFCDMN Cc1ncc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000879212244 732665755 /nfs/dbraw/zinc/66/57/55/732665755.db2.gz XOKHWCNGGHHVRI-HNNXBMFYSA-N 0 1 363.845 2.665 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1[O-] ZINC000880585012 732927182 /nfs/dbraw/zinc/92/71/82/732927182.db2.gz VCAXXUOGIQEPJT-HNNXBMFYSA-N 0 1 353.846 2.612 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1[O-] ZINC000880585012 732927186 /nfs/dbraw/zinc/92/71/86/732927186.db2.gz VCAXXUOGIQEPJT-HNNXBMFYSA-N 0 1 353.846 2.612 20 10 FFCDMN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781909665 738671029 /nfs/dbraw/zinc/67/10/29/738671029.db2.gz JWMHVNYCHSMUIY-CYBMUJFWSA-N 0 1 355.276 2.763 20 10 FFCDMN C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000883308694 733366559 /nfs/dbraw/zinc/36/65/59/733366559.db2.gz VUAILOPIIFGNNV-PWSUYJOCSA-N 0 1 362.289 2.773 20 10 FFCDMN NC(=O)C1CCN(c2ccc(CNCc3ccc(Cl)cn3)cc2)CC1 ZINC000886324656 733773824 /nfs/dbraw/zinc/77/38/24/733773824.db2.gz BCGBZXLTGNPKER-UHFFFAOYSA-N 0 1 358.873 2.727 20 10 FFCDMN O=C(Cc1cncs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783676110 738826327 /nfs/dbraw/zinc/82/63/27/738826327.db2.gz BUIRKZJOFNRESJ-AWEZNQCLSA-N 0 1 365.886 2.825 20 10 FFCDMN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000731903297 734704505 /nfs/dbraw/zinc/70/45/05/734704505.db2.gz ICAPJYYMMFHYRY-CYBMUJFWSA-N 0 1 365.821 2.764 20 10 FFCDMN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000731903297 734704507 /nfs/dbraw/zinc/70/45/07/734704507.db2.gz ICAPJYYMMFHYRY-CYBMUJFWSA-N 0 1 365.821 2.764 20 10 FFCDMN COc1ccc(OC)c2c1CN(Cc1cc(F)cc(F)c1O)C[C@@H]2O ZINC000893910559 734770841 /nfs/dbraw/zinc/77/08/41/734770841.db2.gz LGYCOYPEGMXTLI-AWEZNQCLSA-N 0 1 351.349 2.737 20 10 FFCDMN COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(F)cc(F)c2[O-])c1 ZINC000894020871 734787708 /nfs/dbraw/zinc/78/77/08/734787708.db2.gz RRGSNVZZMICGIR-UHFFFAOYSA-N 0 1 353.365 2.682 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)C(F)(F)F ZINC000894795688 734918442 /nfs/dbraw/zinc/91/84/42/734918442.db2.gz SNHUCOOQDRGECH-VIFPVBQESA-N 0 1 352.303 2.561 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)C(F)(F)F ZINC000894795688 734918445 /nfs/dbraw/zinc/91/84/45/734918445.db2.gz SNHUCOOQDRGECH-VIFPVBQESA-N 0 1 352.303 2.561 20 10 FFCDMN CCNS(=O)(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000894847432 734926807 /nfs/dbraw/zinc/92/68/07/734926807.db2.gz ZNOSSEIRZKTGSJ-UHFFFAOYSA-N 0 1 360.479 2.600 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836698 735062149 /nfs/dbraw/zinc/06/21/49/735062149.db2.gz FOTXEOFRBVTIPJ-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836698 735062152 /nfs/dbraw/zinc/06/21/52/735062152.db2.gz FOTXEOFRBVTIPJ-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN OC[C@@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Br)C1 ZINC000895836698 735062155 /nfs/dbraw/zinc/06/21/55/735062155.db2.gz FOTXEOFRBVTIPJ-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000754421689 736158724 /nfs/dbraw/zinc/15/87/24/736158724.db2.gz YKMXSRGBEQWFQC-UHFFFAOYSA-N 0 1 364.442 2.866 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000756458710 736333000 /nfs/dbraw/zinc/33/30/00/736333000.db2.gz KDJVYPFTLHGAEG-YPMHNXCESA-N 0 1 365.813 2.865 20 10 FFCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cnc(Cl)c(F)c1 ZINC000761949591 736775950 /nfs/dbraw/zinc/77/59/50/736775950.db2.gz LHRBPGLSGNPTNW-UHFFFAOYSA-N 0 1 371.821 2.512 20 10 FFCDMN CN(Cc1cc2c(cc1O)CCCC2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768445884 737423276 /nfs/dbraw/zinc/42/32/76/737423276.db2.gz IYWOECXFXIHWQG-OAHLLOKOSA-N 0 1 356.388 2.866 20 10 FFCDMN CN1CCN(c2ccc([C@H]3Nc4cccc(Cl)c4C(=O)N3)cc2)CC1 ZINC000771517983 737732124 /nfs/dbraw/zinc/73/21/24/737732124.db2.gz LIIBGNQSWOHWDD-SFHVURJKSA-N 0 1 356.857 2.946 20 10 FFCDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)c1 ZINC000775286646 738078460 /nfs/dbraw/zinc/07/84/60/738078460.db2.gz BFAOPXGUMADUEC-UHFFFAOYSA-N 0 1 363.391 2.572 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1[O-] ZINC000775525224 738099302 /nfs/dbraw/zinc/09/93/02/738099302.db2.gz FDVSZXSQYDDQLC-JSGCOSHPSA-N 0 1 350.850 2.839 20 10 FFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000775702484 738114922 /nfs/dbraw/zinc/11/49/22/738114922.db2.gz XNTRPHFSGZDGJN-LLVKDONJSA-N 0 1 354.731 2.780 20 10 FFCDMN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000776868116 738240098 /nfs/dbraw/zinc/24/00/98/738240098.db2.gz GWGWYOVYVCQJJT-DJSGYFEHSA-N 0 1 374.275 2.626 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929755590 739018935 /nfs/dbraw/zinc/01/89/35/739018935.db2.gz PWIYRFYUYVSYPT-IVMMDQJWSA-N 0 1 356.260 2.781 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929755590 739018940 /nfs/dbraw/zinc/01/89/40/739018940.db2.gz PWIYRFYUYVSYPT-IVMMDQJWSA-N 0 1 356.260 2.781 20 10 FFCDMN C[NH+]1CCC(n2ccc(NC(=O)NCc3cccc(Cl)c3[O-])n2)CC1 ZINC000931126197 739216104 /nfs/dbraw/zinc/21/61/04/739216104.db2.gz MERZNJAJEXMQSO-UHFFFAOYSA-N 0 1 363.849 2.831 20 10 FFCDMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790037363 739410160 /nfs/dbraw/zinc/41/01/60/739410160.db2.gz RUCOAJPZZGARDV-RISCZKNCSA-N 0 1 359.392 2.633 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000790416063 739450943 /nfs/dbraw/zinc/45/09/43/739450943.db2.gz NVRXUVQTWDNHMR-UHFFFAOYSA-N 0 1 352.368 2.672 20 10 FFCDMN C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931301 739515538 /nfs/dbraw/zinc/51/55/38/739515538.db2.gz GGYZSOIRTRTDAX-UVWXRNBGSA-N 0 1 356.806 2.722 20 10 FFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363221 739773708 /nfs/dbraw/zinc/77/37/08/739773708.db2.gz RGKXKXDXHKVBDL-CZUORRHYSA-N 0 1 356.260 2.925 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031273 740093949 /nfs/dbraw/zinc/09/39/49/740093949.db2.gz IXNKGPJRQKQZLI-BLLLJJGKSA-N 0 1 356.260 2.925 20 10 FFCDMN C[C@@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303871 740129139 /nfs/dbraw/zinc/12/91/39/740129139.db2.gz FJYXRRZXWGGGGH-INIZCTEOSA-N 0 1 358.507 2.772 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCn2ccnc2C1 ZINC000805314209 740959606 /nfs/dbraw/zinc/95/96/06/740959606.db2.gz MEUTUOZQHOSELK-NSHDSACASA-N 0 1 355.225 2.710 20 10 FFCDMN Cc1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807511698 741138153 /nfs/dbraw/zinc/13/81/53/741138153.db2.gz SOHMPMSAQHGSAA-UHFFFAOYSA-N 0 1 360.222 2.719 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2ccnc2)nn1 ZINC000807840024 741163465 /nfs/dbraw/zinc/16/34/65/741163465.db2.gz PVQPODCXLYJYIB-UHFFFAOYSA-N 0 1 364.192 2.605 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1COCCN1C1CCCC1 ZINC000807840135 741163475 /nfs/dbraw/zinc/16/34/75/741163475.db2.gz QZTFOXODVBYOAH-HNNXBMFYSA-N 0 1 373.280 2.959 20 10 FFCDMN O=C(CSc1nncs1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839600 741163539 /nfs/dbraw/zinc/16/35/39/741163539.db2.gz POISWLXIKXXNRB-UHFFFAOYSA-N 0 1 350.252 2.959 20 10 FFCDMN Oc1c(Br)cccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000811503488 741531105 /nfs/dbraw/zinc/53/11/05/741531105.db2.gz OXHYUJGIBFRBJI-UHFFFAOYSA-N 0 1 352.203 2.997 20 10 FFCDMN COCC[C@H](COC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811956845 741577712 /nfs/dbraw/zinc/57/77/12/741577712.db2.gz XJSVVJGBVLPQSM-LLVKDONJSA-N 0 1 351.230 2.550 20 10 FFCDMN Cc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815107756 741902089 /nfs/dbraw/zinc/90/20/89/741902089.db2.gz TYTZSZWFZNYCHH-UHFFFAOYSA-N 0 1 357.420 2.952 20 10 FFCDMN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816505442 742036170 /nfs/dbraw/zinc/03/61/70/742036170.db2.gz WTKFGCZYSUCCCK-HNNXBMFYSA-N 0 1 355.885 2.787 20 10 FFCDMN C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816527535 742038572 /nfs/dbraw/zinc/03/85/72/742038572.db2.gz OEUIIIKVGAZYMQ-UHFFFAOYSA-N 0 1 351.809 2.957 20 10 FFCDMN O=S(=O)(NCC[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816557820 742041994 /nfs/dbraw/zinc/04/19/94/742041994.db2.gz BZOLYICKOIUDBG-UHFFFAOYSA-N 0 1 362.476 2.675 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817882134 742220389 /nfs/dbraw/zinc/22/03/89/742220389.db2.gz ZWHOIEDARDIBTB-KOLCDFICSA-N 0 1 358.232 2.706 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](C)N)c1cc(Br)cc(Br)c1[O-] ZINC000817971292 742225619 /nfs/dbraw/zinc/22/56/19/742225619.db2.gz CAKMSAQUAVFENF-NKWVEPMBSA-N 0 1 352.070 2.915 20 10 FFCDMN CN(C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccs1 ZINC000819166308 742346691 /nfs/dbraw/zinc/34/66/91/742346691.db2.gz TTZNWQJOQNAFAG-AWEZNQCLSA-N 0 1 359.451 2.521 20 10 FFCDMN O=C(C1CC1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000824479683 743088160 /nfs/dbraw/zinc/08/81/60/743088160.db2.gz ZILWEMDEPQBXKS-UHFFFAOYSA-N 0 1 353.260 2.645 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000824654689 743122945 /nfs/dbraw/zinc/12/29/45/743122945.db2.gz QBDAPLBGNPZKFG-XPKDYRNWSA-N 0 1 370.287 2.825 20 10 FFCDMN Cc1cc(O)c(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1Cl ZINC000824701716 743130590 /nfs/dbraw/zinc/13/05/90/743130590.db2.gz FNKHVVQYMWRHOH-INIZCTEOSA-N 0 1 352.862 2.567 20 10 FFCDMN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825045854 743201235 /nfs/dbraw/zinc/20/12/35/743201235.db2.gz MRQXJWVDAQBFKS-XJKSGUPXSA-N 0 1 366.259 2.898 20 10 FFCDMN O=C(NCC(F)F)[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F ZINC000825068847 743204629 /nfs/dbraw/zinc/20/46/29/743204629.db2.gz YQEKHUCAMPMFIE-NSHDSACASA-N 0 1 350.768 2.921 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000825144161 743218117 /nfs/dbraw/zinc/21/81/17/743218117.db2.gz LMJHBPJVYCUDQF-ZDUSSCGKSA-N 0 1 365.813 2.612 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000826043614 743360947 /nfs/dbraw/zinc/36/09/47/743360947.db2.gz MDVBZLYMAVVHKF-YUELXQCFSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000826043614 743360954 /nfs/dbraw/zinc/36/09/54/743360954.db2.gz MDVBZLYMAVVHKF-YUELXQCFSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000826097341 743367007 /nfs/dbraw/zinc/36/70/07/743367007.db2.gz YZUSAGYENNRLSL-JOYOIKCWSA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000826097341 743367014 /nfs/dbraw/zinc/36/70/14/743367014.db2.gz YZUSAGYENNRLSL-JOYOIKCWSA-N 0 1 354.166 2.900 20 10 FFCDMN Oc1cc(Br)ccc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000826097341 743367022 /nfs/dbraw/zinc/36/70/22/743367022.db2.gz YZUSAGYENNRLSL-JOYOIKCWSA-N 0 1 354.166 2.900 20 10 FFCDMN CCOC(=O)CC1([NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000827758148 744972202 /nfs/dbraw/zinc/97/22/02/744972202.db2.gz YLWLYUGFTCUMBI-UHFFFAOYSA-N 0 1 372.259 2.747 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCOC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000830636914 745395882 /nfs/dbraw/zinc/39/58/82/745395882.db2.gz HGMBZTVBYVKZPL-UHFFFAOYSA-N 0 1 352.862 2.545 20 10 FFCDMN CCn1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000838973250 746747817 /nfs/dbraw/zinc/74/78/17/746747817.db2.gz WIIOUTZPJHBAEB-ZDUSSCGKSA-N 0 1 351.401 2.658 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000839193751 746798785 /nfs/dbraw/zinc/79/87/85/746798785.db2.gz XKYSUCDKRWBIKJ-GOEBONIOSA-N 0 1 350.415 2.682 20 10 FFCDMN CNS(=O)(=O)c1cccc(CNCc2c(O)cc(C)cc2Cl)c1 ZINC000840884469 747211712 /nfs/dbraw/zinc/21/17/12/747211712.db2.gz NFYUJQSMLPVQHP-UHFFFAOYSA-N 0 1 354.859 2.552 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840884469 747211716 /nfs/dbraw/zinc/21/17/16/747211716.db2.gz NFYUJQSMLPVQHP-UHFFFAOYSA-N 0 1 354.859 2.552 20 10 FFCDMN O=C([O-])C1C[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840998859 747253030 /nfs/dbraw/zinc/25/30/30/747253030.db2.gz YWLKLPSYVZQEEA-UHFFFAOYSA-N 0 1 353.260 2.956 20 10 FFCDMN COc1c(O)c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997730 747253198 /nfs/dbraw/zinc/25/31/98/747253198.db2.gz HXUYOTRDDCLSEE-OSMZGAPFSA-N 0 1 350.371 2.527 20 10 FFCDMN C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[O-] ZINC000841746296 747447610 /nfs/dbraw/zinc/44/76/10/747447610.db2.gz XTLYOAMKYPTBJW-AAEUAGOBSA-N 0 1 365.813 2.865 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)cc1[O-] ZINC000841753426 747449578 /nfs/dbraw/zinc/44/95/78/747449578.db2.gz SYSHUXGTDKCZSN-GFCCVEGCSA-N 0 1 369.870 2.662 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000846206929 748430480 /nfs/dbraw/zinc/43/04/80/748430480.db2.gz VVHGRADFWJJAHL-QWRGUYRKSA-N 0 1 353.260 2.816 20 10 FFCDMN CO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 ZINC000852437501 749859481 /nfs/dbraw/zinc/85/94/81/749859481.db2.gz YLHATPGCVROSLO-ZANVPECISA-N 0 1 363.241 2.550 20 10 FFCDMN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000397451593 845868763 /nfs/dbraw/zinc/86/87/63/845868763.db2.gz NNCQFAVLMRTFOE-LBPRGKRZSA-N 0 1 356.850 2.771 20 10 FFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836766 1013057850 /nfs/dbraw/zinc/05/78/50/1013057850.db2.gz GLHFERDXAXEHOB-LIRRHRJNSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836766 1013057864 /nfs/dbraw/zinc/05/78/64/1013057864.db2.gz GLHFERDXAXEHOB-LIRRHRJNSA-N 0 1 366.889 2.895 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840327653 971083004 /nfs/dbraw/zinc/08/30/04/971083004.db2.gz BYVIHHIQKNIAJN-GJZGRUSLSA-N 0 1 357.502 2.954 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000840377201 971186120 /nfs/dbraw/zinc/18/61/20/971186120.db2.gz PNGBAZIMRQGSRP-GOEBONIOSA-N 0 1 355.486 2.572 20 10 FFCDMN CCCCN1C[C@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837680 1013067466 /nfs/dbraw/zinc/06/74/66/1013067466.db2.gz LKVMILPHGFIDQX-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837680 1013067478 /nfs/dbraw/zinc/06/74/78/1013067478.db2.gz LKVMILPHGFIDQX-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837680 1013067494 /nfs/dbraw/zinc/06/74/94/1013067494.db2.gz LKVMILPHGFIDQX-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001275894732 1013159778 /nfs/dbraw/zinc/15/97/78/1013159778.db2.gz ATTCHVLFLFBSKZ-LJQANCHMSA-N 0 1 364.873 2.649 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275894732 1013159797 /nfs/dbraw/zinc/15/97/97/1013159797.db2.gz ATTCHVLFLFBSKZ-LJQANCHMSA-N 0 1 364.873 2.649 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275894732 1013159787 /nfs/dbraw/zinc/15/97/87/1013159787.db2.gz ATTCHVLFLFBSKZ-LJQANCHMSA-N 0 1 364.873 2.649 20 10 FFCDMN COc1ccc(N)cc1S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC001209985711 960504817 /nfs/dbraw/zinc/50/48/17/960504817.db2.gz GVEGNHHOSOJPHD-UHFFFAOYSA-N 0 1 362.329 2.803 20 10 FFCDMN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275956520 1013226205 /nfs/dbraw/zinc/22/62/05/1013226205.db2.gz IGUOSEHCQJGWLV-OAHLLOKOSA-N 0 1 364.314 2.657 20 10 FFCDMN CN(C)c1ccc([C@H](CNCc2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000773407635 1013317500 /nfs/dbraw/zinc/31/75/00/1013317500.db2.gz ABANUCNPJJXKLC-INIZCTEOSA-N 0 1 359.474 2.831 20 10 FFCDMN COc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873051810 1013365487 /nfs/dbraw/zinc/36/54/87/1013365487.db2.gz HMBBOSRJYQMNMX-IBGZPJMESA-N 0 1 355.413 2.902 20 10 FFCDMN CN1CCN(c2ccc(CNc3cnc(OC(F)(F)F)cn3)cc2)CC1 ZINC001167431031 963084395 /nfs/dbraw/zinc/08/43/95/963084395.db2.gz CBWNQBLYMPRRLK-UHFFFAOYSA-N 0 1 367.375 2.739 20 10 FFCDMN CON(C)C(=O)c1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167434132 963175980 /nfs/dbraw/zinc/17/59/80/963175980.db2.gz DDESZKZILVUHNP-UHFFFAOYSA-N 0 1 368.481 2.684 20 10 FFCDMN CNC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276077874 1013409656 /nfs/dbraw/zinc/40/96/56/1013409656.db2.gz WIEIPFRIUXPXKP-LBPRGKRZSA-N 0 1 353.260 2.503 20 10 FFCDMN N[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001206244530 1013429467 /nfs/dbraw/zinc/42/94/67/1013429467.db2.gz LOBHJECDDHVNMM-LLVKDONJSA-N 0 1 357.145 2.759 20 10 FFCDMN CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276085438 1013431643 /nfs/dbraw/zinc/43/16/43/1013431643.db2.gz JDLLDQJWSBBSLB-IBGZPJMESA-N 0 1 350.434 2.525 20 10 FFCDMN COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H](C)c1cc(OC)ccc1O)c2=O ZINC000729536372 968247268 /nfs/dbraw/zinc/24/72/68/968247268.db2.gz ZYKIHUUCGVHXTP-NSHDSACASA-N 0 1 368.389 2.742 20 10 FFCDMN CCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3O)CC2)cc1 ZINC000179586684 968977845 /nfs/dbraw/zinc/97/78/45/968977845.db2.gz NVMIWEQDQATOJK-UHFFFAOYSA-N 0 1 369.465 2.547 20 10 FFCDMN COc1cccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N2CCCC2)c1 ZINC000177658482 969293577 /nfs/dbraw/zinc/29/35/77/969293577.db2.gz IDRNKTDZAHMKPZ-SFHVURJKSA-N 0 1 370.449 2.982 20 10 FFCDMN COc1cnc(F)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000876965195 1014435208 /nfs/dbraw/zinc/43/52/08/1014435208.db2.gz DRUJMWAASDBHQP-UHFFFAOYSA-N 0 1 359.445 2.728 20 10 FFCDMN 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/nfs/dbraw/zinc/53/27/86/1065532786.db2.gz RZISFESPRCOICY-LBPRGKRZSA-N 0 1 369.425 2.749 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(Cc2c[nH]nn2)CCC1 ZINC001577338537 1078339820 /nfs/dbraw/zinc/33/98/20/1078339820.db2.gz KQJOVXIIHKKCHZ-OAHLLOKOSA-N 0 1 370.501 2.575 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(Cc2cnn[nH]2)CCC1 ZINC001577338537 1078339822 /nfs/dbraw/zinc/33/98/22/1078339822.db2.gz KQJOVXIIHKKCHZ-OAHLLOKOSA-N 0 1 370.501 2.575 20 10 FFCDMN Cc1cc(CNC(=O)NCCc2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC001577416500 1078354370 /nfs/dbraw/zinc/35/43/70/1078354370.db2.gz SACOXYPDFGOQSZ-UHFFFAOYSA-N 0 1 352.442 2.563 20 10 FFCDMN Cc1cc(CNC(=O)NCCc2cnn[nH]2)c(C)n1-c1cccc(C)c1 ZINC001577416500 1078354373 /nfs/dbraw/zinc/35/43/73/1078354373.db2.gz SACOXYPDFGOQSZ-UHFFFAOYSA-N 0 1 352.442 2.563 20 10 FFCDMN Nc1ccc(CC(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC001580443363 1078805947 /nfs/dbraw/zinc/80/59/47/1078805947.db2.gz ZNNDKRBJHNQQSJ-UHFFFAOYSA-N 0 1 355.829 2.609 20 10 FFCDMN CN(C)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(F)c1 ZINC001583475681 1079221055 /nfs/dbraw/zinc/22/10/55/1079221055.db2.gz LJCKZAGJTKLFAX-UHFFFAOYSA-N 0 1 370.472 2.574 20 10 FFCDMN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(O)c1 ZINC001557114932 1075809931 /nfs/dbraw/zinc/80/99/31/1075809931.db2.gz OUZZQZKYHUMJLH-UHFFFAOYSA-N 0 1 363.797 2.957 20 10 FFCDMN COc1ccc(N2CCN(C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1F ZINC001559642454 1076178728 /nfs/dbraw/zinc/17/87/28/1076178728.db2.gz PQXPHEQUQPLTQY-XLIONFOSSA-N 0 1 364.461 2.685 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1[O-] ZINC000359958872 210200851 /nfs/dbraw/zinc/20/08/51/210200851.db2.gz LENBHOJQVJWIRR-PKOBYXMFSA-N 0 1 369.509 2.603 20 10 FFCDMN CCN(CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000073898643 507964953 /nfs/dbraw/zinc/96/49/53/507964953.db2.gz UOYLSNXNMCLWLJ-OAHLLOKOSA-N 0 1 361.442 2.876 20 10 FFCDMN COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1OC ZINC000112583650 508199662 /nfs/dbraw/zinc/19/96/62/508199662.db2.gz RJFVKXLMOWFZGK-AWEZNQCLSA-N 0 1 358.438 2.546 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(O)cc3)cc2F)CC1 ZINC000133680771 508434330 /nfs/dbraw/zinc/43/43/30/508434330.db2.gz FSZKWDDQGFXKFZ-UHFFFAOYSA-N 0 1 371.456 2.532 20 10 FFCDMN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000186109072 509525792 /nfs/dbraw/zinc/52/57/92/509525792.db2.gz TWFGAACLBOOIQI-ZYHUDNBSSA-N 0 1 356.264 2.609 20 10 FFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000185318157 510802934 /nfs/dbraw/zinc/80/29/34/510802934.db2.gz MNQUQRAQRZQHRN-BXKDBHETSA-N 0 1 351.248 2.720 20 10 FFCDMN CCCOc1ccc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c(O)c1 ZINC000285485959 510926927 /nfs/dbraw/zinc/92/69/27/510926927.db2.gz LYAHIGMXFIYCEZ-KRWDZBQOSA-N 0 1 372.469 2.930 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CCOC)cc1 ZINC000276941152 510950844 /nfs/dbraw/zinc/95/08/44/510950844.db2.gz SFGXQVIMHFRZQZ-UHFFFAOYSA-N 0 1 351.424 2.781 20 10 FFCDMN CCc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000278047948 510980722 /nfs/dbraw/zinc/98/07/22/510980722.db2.gz REESSBOIJLNFFV-UHFFFAOYSA-N 0 1 357.414 2.751 20 10 FFCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1[O-] ZINC000278804086 511007583 /nfs/dbraw/zinc/00/75/83/511007583.db2.gz RKVWWGHYAOCUHN-GFCCVEGCSA-N 0 1 355.276 2.670 20 10 FFCDMN Cn1ccnc1[C@@H](NCc1cc(Br)ccc1O)C(C)(C)CO ZINC000295079778 511273435 /nfs/dbraw/zinc/27/34/35/511273435.db2.gz QDZSEVWNAXESML-CQSZACIVSA-N 0 1 368.275 2.738 20 10 FFCDMN COC1CCN(c2ccc(CN3C[C@@H](C)O[C@]4(CCOC4)C3)cc2)CC1 ZINC000295983037 511578716 /nfs/dbraw/zinc/57/87/16/511578716.db2.gz LIUVYXQIYYBUIO-DYESRHJHSA-N 0 1 360.498 2.682 20 10 FFCDMN CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760508 511933363 /nfs/dbraw/zinc/93/33/63/511933363.db2.gz JZLGBJWKBALNIA-UONOGXRCSA-N 0 1 354.248 2.663 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000284944229 511940104 /nfs/dbraw/zinc/94/01/04/511940104.db2.gz VPIGGPVHXBLGDJ-YRILPIOLSA-N 0 1 362.861 2.792 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3ncoc3C3CC3)cc2F)CC1 ZINC000293507031 511989765 /nfs/dbraw/zinc/98/97/65/511989765.db2.gz VFQYWWXUFGLCRI-UHFFFAOYSA-N 0 1 372.444 2.763 20 10 FFCDMN COc1cc(O)c(CNCc2ccn(Cc3ccccc3)n2)cc1OC ZINC000285170812 512024876 /nfs/dbraw/zinc/02/48/76/512024876.db2.gz PRMYAIPCNYGYPU-UHFFFAOYSA-N 0 1 353.422 2.944 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1 ZINC000377068476 513106909 /nfs/dbraw/zinc/10/69/09/513106909.db2.gz RRAITPBJFFDIKV-PWZRNIHTSA-N 0 1 366.889 2.677 20 10 FFCDMN COC[C@@H](C)N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435520920 513609993 /nfs/dbraw/zinc/60/99/93/513609993.db2.gz UIMZBNSQMUDAHG-MRXNPFEDSA-N 0 1 357.498 2.901 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C)COC2)C1 ZINC000435853376 513698921 /nfs/dbraw/zinc/69/89/21/513698921.db2.gz CDEMJYGFOZOUIM-UHFFFAOYSA-N 0 1 355.482 2.561 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2=CCOCC2)C1 ZINC000452410935 514342840 /nfs/dbraw/zinc/34/28/40/514342840.db2.gz RAMYIROVZLDELX-UHFFFAOYSA-N 0 1 367.493 2.871 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(SC)n[nH]3)ccc21 ZINC000489955846 515046391 /nfs/dbraw/zinc/04/63/91/515046391.db2.gz JWPJJUQUAQLYJO-UHFFFAOYSA-N 0 1 359.455 2.997 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000739794417 600316058 /nfs/dbraw/zinc/31/60/58/600316058.db2.gz ZBOXALPIAVHHFT-INIZCTEOSA-N 0 1 353.777 2.805 20 10 FFCDMN C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694066 604675837 /nfs/dbraw/zinc/67/58/37/604675837.db2.gz ICRLSCKHENMDJF-MRXNPFEDSA-N 0 1 369.295 2.796 20 10 FFCDMN COc1cc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1OC ZINC000833888202 605989415 /nfs/dbraw/zinc/98/94/15/605989415.db2.gz WWKVTZDTRXLZKA-PBWFPOADSA-N 0 1 350.415 2.515 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431857 606412959 /nfs/dbraw/zinc/41/29/59/606412959.db2.gz IYIOHPLWLJNGNT-CYBMUJFWSA-N 0 1 370.482 2.616 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431857 606412961 /nfs/dbraw/zinc/41/29/61/606412961.db2.gz IYIOHPLWLJNGNT-CYBMUJFWSA-N 0 1 370.482 2.616 20 10 FFCDMN CCc1onc(C)c1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000899260831 735467567 /nfs/dbraw/zinc/46/75/67/735467567.db2.gz RSYRJVCYKZDUML-NTEUORMPSA-N 0 1 351.497 2.841 20 10 FFCDMN CN(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000109771374 728529049 /nfs/dbraw/zinc/52/90/49/728529049.db2.gz SIDBTLUXTTTZPQ-UHFFFAOYSA-N 0 1 350.365 2.742 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(F)c1 ZINC000134270086 728729456 /nfs/dbraw/zinc/72/94/56/728729456.db2.gz JLICJTVPMNVZCR-INIZCTEOSA-N 0 1 363.820 2.974 20 10 FFCDMN CCOCCO[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000180788239 729224362 /nfs/dbraw/zinc/22/43/62/729224362.db2.gz NGBKZVIIPXARGW-AWEZNQCLSA-N 0 1 374.275 2.791 20 10 FFCDMN Cc1ccoc1C(=O)NCCC[NH2+]Cc1c([O-])cccc1Br ZINC000858143780 730417775 /nfs/dbraw/zinc/41/77/75/730417775.db2.gz VWSOZMMPUTVSSN-UHFFFAOYSA-N 0 1 367.243 2.966 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@H]1n1cccn1 ZINC000858170202 730418507 /nfs/dbraw/zinc/41/85/07/730418507.db2.gz HPUQJQZZVBWPHG-FVQBIDKESA-N 0 1 366.259 2.860 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CC[C@@H](S(=O)(=O)NCC)C2)cc1 ZINC000779609822 738472246 /nfs/dbraw/zinc/47/22/46/738472246.db2.gz VMAGTFICZHZSHI-LJQANCHMSA-N 0 1 367.559 2.827 20 10 FFCDMN O=C([C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862369875 730693161 /nfs/dbraw/zinc/69/31/61/730693161.db2.gz YISJXLKQVWZGFR-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862369875 730693163 /nfs/dbraw/zinc/69/31/63/730693163.db2.gz YISJXLKQVWZGFR-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739257 730805530 /nfs/dbraw/zinc/80/55/30/730805530.db2.gz JOVGWXHJFXXDGS-SKDRFNHKSA-N 0 1 358.232 2.706 20 10 FFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000866463592 731063209 /nfs/dbraw/zinc/06/32/09/731063209.db2.gz BXKMNTZIDAIAQG-RWSFTLGLSA-N 0 1 350.356 2.625 20 10 FFCDMN Cc1ccc([C@@H](C)NCc2c(I)cnn2C)c(O)c1 ZINC000866631071 731081963 /nfs/dbraw/zinc/08/19/63/731081963.db2.gz DHHSFLDUWATKLX-SNVBAGLBSA-N 0 1 371.222 2.890 20 10 FFCDMN Cc1cc(Br)cc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000775646675 738109163 /nfs/dbraw/zinc/10/91/63/738109163.db2.gz MYWOWVDSOIVYEB-INIZCTEOSA-N 0 1 369.303 2.760 20 10 FFCDMN COCc1cc(O)ccc1NS(=O)(=O)c1cncc(OC(C)C)c1 ZINC000872375800 731758936 /nfs/dbraw/zinc/75/89/36/731758936.db2.gz SNYUTGDROBPZQA-UHFFFAOYSA-N 0 1 352.412 2.522 20 10 FFCDMN CCc1cccc(CNCc2c(I)cnn2C)c1O ZINC000877775294 732427571 /nfs/dbraw/zinc/42/75/71/732427571.db2.gz SAIGDFDPCAPZSF-UHFFFAOYSA-N 0 1 371.222 2.583 20 10 FFCDMN C[C@@H]1OCC[C@]12CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC000894603280 734886314 /nfs/dbraw/zinc/88/63/14/734886314.db2.gz UXUOUHAYFQLICK-BONVTDFDSA-N 0 1 360.223 2.674 20 10 FFCDMN Cc1nc2cc(NCc3cccc(Cl)c3O)ccc2n1C(CO)CO ZINC000894927635 734937820 /nfs/dbraw/zinc/93/78/20/734937820.db2.gz WCISZYNCUKPQNS-UHFFFAOYSA-N 0 1 361.829 2.842 20 10 FFCDMN CN(C)c1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2)N(C)C)cc1 ZINC000897526308 735243214 /nfs/dbraw/zinc/24/32/14/735243214.db2.gz ZFBVLTFMVVQEBW-IBGZPJMESA-N 0 1 361.511 2.871 20 10 FFCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000750817068 735817337 /nfs/dbraw/zinc/81/73/37/735817337.db2.gz IJYBTJDGJWSWKS-UHFFFAOYSA-N 0 1 350.434 2.718 20 10 FFCDMN COc1cccc(C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])c1 ZINC000756336658 736323511 /nfs/dbraw/zinc/32/35/11/736323511.db2.gz CPZFLKZHPZBGQV-AWEZNQCLSA-N 0 1 353.777 2.979 20 10 FFCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])N1CCN(C)CC1 ZINC000756543695 736340489 /nfs/dbraw/zinc/34/04/89/736340489.db2.gz HTSJQWOTFWIUEO-NEPJUHHUSA-N 0 1 374.298 2.580 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000758773082 736519907 /nfs/dbraw/zinc/51/99/07/736519907.db2.gz HGDIILFORRJHEW-UHFFFAOYSA-N 0 1 370.770 2.957 20 10 FFCDMN C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCC1 ZINC000764790958 737050197 /nfs/dbraw/zinc/05/01/97/737050197.db2.gz LCCQSKZLAYZGGL-LBPRGKRZSA-N 0 1 370.291 2.828 20 10 FFCDMN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054981 737689791 /nfs/dbraw/zinc/68/97/91/737689791.db2.gz ASGXYEDUFBCOGD-BFYDXBDKSA-N 0 1 352.862 2.551 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCSC1 ZINC000771066175 737691389 /nfs/dbraw/zinc/69/13/89/737691389.db2.gz OWKAXOGDWBKHNG-SWLSCSKDSA-N 0 1 354.903 2.879 20 10 FFCDMN CN1CCN(c2ccc([C@H]3Nc4cc(Cl)ccc4C(=O)N3)cc2)CC1 ZINC000771520629 737732162 /nfs/dbraw/zinc/73/21/62/737732162.db2.gz LIXHSAXWDGWDNY-SFHVURJKSA-N 0 1 356.857 2.946 20 10 FFCDMN COc1ccc(N2CCN(C[C@H](O)CSCC=C(C)C)CC2)cc1 ZINC000773566926 737920694 /nfs/dbraw/zinc/92/06/94/737920694.db2.gz VOZHDHFRQAZICY-SFHVURJKSA-N 0 1 350.528 2.878 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1cc(Br)ccc1[O-] ZINC000775503135 738097786 /nfs/dbraw/zinc/09/77/86/738097786.db2.gz BYSHFGOWZBXBBK-ZFWWWQNUSA-N 0 1 357.292 2.916 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1[O-] ZINC000775525226 738099458 /nfs/dbraw/zinc/09/94/58/738099458.db2.gz FDVSZXSQYDDQLC-OCCSQVGLSA-N 0 1 350.850 2.839 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929755591 739018723 /nfs/dbraw/zinc/01/87/23/739018723.db2.gz PWIYRFYUYVSYPT-NOLJZWGESA-N 0 1 356.260 2.781 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929755591 739018728 /nfs/dbraw/zinc/01/87/28/739018728.db2.gz PWIYRFYUYVSYPT-NOLJZWGESA-N 0 1 356.260 2.781 20 10 FFCDMN CCOC(=O)[C@H](NCc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000789581083 739369916 /nfs/dbraw/zinc/36/99/16/739369916.db2.gz OEMIOCCOXRHUKI-TZMCWYRMSA-N 0 1 372.259 2.603 20 10 FFCDMN CCOC(=O)[C@H](NCc1cccc(Br)c1O)C1CCOCC1 ZINC000789581840 739370392 /nfs/dbraw/zinc/37/03/92/739370392.db2.gz OOWRHBKRTIMKHK-CQSZACIVSA-N 0 1 372.259 2.603 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1OC ZINC000790416155 739450993 /nfs/dbraw/zinc/45/09/93/739450993.db2.gz UHEIIYNXHDBRLJ-UHFFFAOYSA-N 0 1 365.407 2.551 20 10 FFCDMN CN(CC[NH2+]Cc1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000797879937 740283624 /nfs/dbraw/zinc/28/36/24/740283624.db2.gz QBQPHKLEZWDEJG-UHFFFAOYSA-N 0 1 372.849 2.595 20 10 FFCDMN COc1cc(N2CCN(CCSC(C)C)CC2)cc(OC)c1OC ZINC000801541114 740628846 /nfs/dbraw/zinc/62/88/46/740628846.db2.gz KSHIXEHFBPGHLS-UHFFFAOYSA-N 0 1 354.516 2.976 20 10 FFCDMN O=S(=O)(C[C@@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805134685 740943602 /nfs/dbraw/zinc/94/36/02/740943602.db2.gz GJFPLEHYSJWESD-NSHDSACASA-N 0 1 354.255 2.688 20 10 FFCDMN CCc1ncsc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513045 741138213 /nfs/dbraw/zinc/13/82/13/741138213.db2.gz QSZRHGBJMZKQAC-UHFFFAOYSA-N 0 1 374.249 2.973 20 10 FFCDMN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808114608 741188345 /nfs/dbraw/zinc/18/83/45/741188345.db2.gz CNRJJJQYGSJYAD-UHFFFAOYSA-N 0 1 372.805 2.687 20 10 FFCDMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)ccc2[O-])cc1O ZINC000809748532 741339616 /nfs/dbraw/zinc/33/96/16/741339616.db2.gz UMTOPXURZMBXEZ-CYBMUJFWSA-N 0 1 351.830 2.701 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000811530152 741534679 /nfs/dbraw/zinc/53/46/79/741534679.db2.gz WKSBPSNUXXTDHG-UHFFFAOYSA-N 0 1 353.165 2.606 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000812776083 741650944 /nfs/dbraw/zinc/65/09/44/741650944.db2.gz RIXKDFSMBUVJQB-LLVKDONJSA-N 0 1 350.203 2.913 20 10 FFCDMN Oc1c(Br)cc(Br)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000814172666 741800625 /nfs/dbraw/zinc/80/06/25/741800625.db2.gz XYCXOIOZDALSRU-WDEREUQCSA-N 0 1 363.049 2.890 20 10 FFCDMN COc1ccncc1CNCc1cc(Br)cc(OC)c1O ZINC000814297904 741810264 /nfs/dbraw/zinc/81/02/64/741810264.db2.gz AYJFHLSDBNAXIM-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN [O-]c1c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)ccc2ccccc21 ZINC000816608518 742046616 /nfs/dbraw/zinc/04/66/16/742046616.db2.gz BICWVRZPSVYAEC-MRXNPFEDSA-N 0 1 354.372 2.898 20 10 FFCDMN C[C@@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971293 742225665 /nfs/dbraw/zinc/22/56/65/742225665.db2.gz CAKMSAQUAVFENF-RNFRBKRXSA-N 0 1 352.070 2.915 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000824161177 743030029 /nfs/dbraw/zinc/03/00/29/743030029.db2.gz KVQSYYNDYBSDLR-IBGZPJMESA-N 0 1 357.523 2.901 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564026 743105995 /nfs/dbraw/zinc/10/59/95/743105995.db2.gz FYQRNXLTBDUYET-GFCCVEGCSA-N 0 1 362.829 2.502 20 10 FFCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824571880 743109789 /nfs/dbraw/zinc/10/97/89/743109789.db2.gz PTBJXCXIFWPPFI-SNVBAGLBSA-N 0 1 362.829 2.502 20 10 FFCDMN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824767966 743144476 /nfs/dbraw/zinc/14/44/76/743144476.db2.gz CNRFSNBNZHQOPQ-CQSZACIVSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824829752 743158700 /nfs/dbraw/zinc/15/87/00/743158700.db2.gz QYBZNGHIDHHIIL-CMPLNLGQSA-N 0 1 362.779 2.888 20 10 FFCDMN CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825038319 743199446 /nfs/dbraw/zinc/19/94/46/743199446.db2.gz XZDMEBQINCDBHK-OAHLLOKOSA-N 0 1 357.292 2.601 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124495 743214274 /nfs/dbraw/zinc/21/42/74/743214274.db2.gz RDYJJYMUZHYENU-CABZTGNLSA-N 0 1 354.166 2.900 20 10 FFCDMN CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825291475 743243182 /nfs/dbraw/zinc/24/31/82/743243182.db2.gz LNUMZAUPQAEOJG-FZMZJTMJSA-N 0 1 355.276 2.891 20 10 FFCDMN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(Br)cc2[O-])C1(C)C ZINC000825629498 743303478 /nfs/dbraw/zinc/30/34/78/743303478.db2.gz XWGLZIOHKQUZFV-ZBFHGGJFSA-N 0 1 358.276 2.810 20 10 FFCDMN CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])CC1=O ZINC000827555218 743600201 /nfs/dbraw/zinc/60/02/01/743600201.db2.gz PZGBXVUORRRFML-NSHDSACASA-N 0 1 355.276 2.891 20 10 FFCDMN COc1cccc(O)c1CN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000827775857 744975572 /nfs/dbraw/zinc/97/55/72/744975572.db2.gz JMMPBVZBCZQCMR-ZIAGYGMSSA-N 0 1 354.422 2.838 20 10 FFCDMN CC[N@H+](CCC(=O)N1CCCC1)Cc1cc(Br)ccc1[O-] ZINC000838859505 746724039 /nfs/dbraw/zinc/72/40/39/746724039.db2.gz KFJMSPUAKTZIOJ-UHFFFAOYSA-N 0 1 355.276 2.989 20 10 FFCDMN CC[N@@H+](CCC(=O)N1CCCC1)Cc1cc(Br)ccc1[O-] ZINC000838859505 746724044 /nfs/dbraw/zinc/72/40/44/746724044.db2.gz KFJMSPUAKTZIOJ-UHFFFAOYSA-N 0 1 355.276 2.989 20 10 FFCDMN CCS(=O)(=O)N(C)C1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840916639 747224067 /nfs/dbraw/zinc/22/40/67/747224067.db2.gz AGYPLFGIUOZUFU-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN CCS(=O)(=O)N(C)C1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840916639 747224071 /nfs/dbraw/zinc/22/40/71/747224071.db2.gz AGYPLFGIUOZUFU-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000840975508 747249014 /nfs/dbraw/zinc/24/90/14/747249014.db2.gz HAWKTKFANDTHSH-CYBMUJFWSA-N 0 1 355.276 2.952 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744260 747446701 /nfs/dbraw/zinc/44/67/01/747446701.db2.gz GOPGIIKMMMIOFG-GFCCVEGCSA-N 0 1 368.886 2.946 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1[O-] ZINC000848562476 748961245 /nfs/dbraw/zinc/96/12/45/748961245.db2.gz DQFLJXXHPHCEHN-WCQYABFASA-N 0 1 365.275 2.881 20 10 FFCDMN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)c3cccc(Cl)c3)C2)cc1 ZINC000852899636 749971190 /nfs/dbraw/zinc/97/11/90/749971190.db2.gz AYWUJDSEEHTKHS-MAUKXSAKSA-N 0 1 359.857 2.744 20 10 FFCDMN Cc1nc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1 ZINC000854344514 750288741 /nfs/dbraw/zinc/28/87/41/750288741.db2.gz QASROOUJPATLRF-GFCCVEGCSA-N 0 1 361.877 2.862 20 10 FFCDMN CCOCCN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275836894 1013057510 /nfs/dbraw/zinc/05/75/10/1013057510.db2.gz IQKHERKXZDXBMI-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN CCOCCN1CC[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275836894 1013057525 /nfs/dbraw/zinc/05/75/25/1013057525.db2.gz IQKHERKXZDXBMI-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN COc1ccc(CN2CCc3ccc(NC(C)=O)cc3C2)c(O)c1OC ZINC000895939247 971098379 /nfs/dbraw/zinc/09/83/79/971098379.db2.gz KZWPIJYXNOLLIC-UHFFFAOYSA-N 0 1 356.422 2.926 20 10 FFCDMN COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1[O-] ZINC000826158810 947499634 /nfs/dbraw/zinc/49/96/34/947499634.db2.gz DMDRHTNACDJDNE-UHFFFAOYSA-N 0 1 373.844 2.874 20 10 FFCDMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc21 ZINC001594951474 954953643 /nfs/dbraw/zinc/95/36/43/954953643.db2.gz JFAINCVMZAWKLA-NRFANRHFSA-N 0 1 366.461 2.832 20 10 FFCDMN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)c3ccccc32)N(C)C)cc1 ZINC000891246734 962564491 /nfs/dbraw/zinc/56/44/91/962564491.db2.gz CMORWTQESWIFIQ-PMACEKPBSA-N 0 1 365.477 2.842 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc(-c4cccnc4)nn3)cc2)CC1 ZINC001167426989 963028916 /nfs/dbraw/zinc/02/89/16/963028916.db2.gz SIHACBRCUUWOON-UHFFFAOYSA-N 0 1 360.465 2.903 20 10 FFCDMN Cc1cc2c(cc1NCc1ccc(N3CCN(C)CC3)cc1)CC(=O)N2 ZINC001167436830 963261794 /nfs/dbraw/zinc/26/17/94/963261794.db2.gz BLEYDILSMDSVPF-UHFFFAOYSA-N 0 1 350.466 2.854 20 10 FFCDMN CCCC[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000051180064 964283290 /nfs/dbraw/zinc/28/32/90/964283290.db2.gz JIHMTUAXBDOXCK-HZPDHXFCSA-N 0 1 365.493 2.787 20 10 FFCDMN COC(=O)c1c(CNC[C@@](C)(O)c2ccco2)c2cc(F)ccc2n1C ZINC000894315802 964671929 /nfs/dbraw/zinc/67/19/29/964671929.db2.gz MTUUFTKKECBSBY-LJQANCHMSA-N 0 1 360.385 2.694 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CC[C@@H]2CO)C1 ZINC001176038661 1013616435 /nfs/dbraw/zinc/61/64/35/1013616435.db2.gz SQJQJHIVOMIQOG-IAGOWNOFSA-N 0 1 369.509 2.780 20 10 FFCDMN COc1c(O)c(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001604680868 973874888 /nfs/dbraw/zinc/87/48/88/973874888.db2.gz VWLOEDNWKLSIFD-ZIAGYGMSSA-N 0 1 358.350 2.712 20 10 FFCDMN CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001271799909 974343822 /nfs/dbraw/zinc/34/38/22/974343822.db2.gz YZJFHAOUDAUPGI-UXLLHSPISA-N 0 1 361.486 2.856 20 10 FFCDMN CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C[C@H]1O ZINC001595484084 981216331 /nfs/dbraw/zinc/21/63/31/981216331.db2.gz TUZPXWXWCUCWED-HNAYVOBHSA-N 0 1 370.449 2.678 20 10 FFCDMN CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C[C@H]1O ZINC001595484084 981216335 /nfs/dbraw/zinc/21/63/35/981216335.db2.gz TUZPXWXWCUCWED-HNAYVOBHSA-N 0 1 370.449 2.678 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccnn3[C@@H]3CCCOC3)cc2)CC1 ZINC000898095203 982609006 /nfs/dbraw/zinc/60/90/06/982609006.db2.gz MWPXLQWUVSHNLD-LJQANCHMSA-N 0 1 355.486 2.599 20 10 FFCDMN CN(C)c1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000056330888 984431253 /nfs/dbraw/zinc/43/12/53/984431253.db2.gz LAPKTPOZICFNIY-UHFFFAOYSA-N 0 1 367.497 2.611 20 10 FFCDMN OC[C@@H]1CCC(F)(F)CN1Cc1c(O)cc(Br)cc1F ZINC001233027781 986379549 /nfs/dbraw/zinc/37/95/49/986379549.db2.gz ZDHMOVBJIAKADW-VIFPVBQESA-N 0 1 354.166 2.886 20 10 FFCDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)C[C@H](C)O1 ZINC000186913570 989377505 /nfs/dbraw/zinc/37/75/05/989377505.db2.gz TXCNMZDXMKEZAJ-GJZGRUSLSA-N 0 1 370.449 2.637 20 10 FFCDMN CN1CCN(c2ccc(CNc3cccc4c3OCC[C@@H]4O)cc2)CC1 ZINC000766087666 990006096 /nfs/dbraw/zinc/00/60/96/990006096.db2.gz SSZTYFPWXLZLPL-FQEVSTJZSA-N 0 1 353.466 2.866 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCCCC(=O)C3)cc2)CC1 ZINC000918844236 990511348 /nfs/dbraw/zinc/51/13/48/990511348.db2.gz BTMCWRSHQDKVMS-SFHVURJKSA-N 0 1 357.498 2.594 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C(C)(C)C3CCC(O)CC3)cc2)CC1 ZINC000918852632 990512222 /nfs/dbraw/zinc/51/22/22/990512222.db2.gz SXXDTWSMOHULQS-UHFFFAOYSA-N 0 1 373.541 2.632 20 10 FFCDMN COc1ccc(CNCc2cc(C3CC3)nn2C)cc1Cn1cccn1 ZINC000922948260 990761168 /nfs/dbraw/zinc/76/11/68/990761168.db2.gz UFKXMSHQQUJYDV-UHFFFAOYSA-N 0 1 351.454 2.841 20 10 FFCDMN CN(C)c1ccc(CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000921113356 990976481 /nfs/dbraw/zinc/97/64/81/990976481.db2.gz YCYDGYNKZANWBA-NHCUHLMSSA-N 0 1 371.525 2.887 20 10 FFCDMN COc1cccc(CC(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000068986417 991559231 /nfs/dbraw/zinc/55/92/31/991559231.db2.gz KHITXIHBJJENLK-UHFFFAOYSA-N 0 1 368.477 2.905 20 10 FFCDMN CC[C@@H]1CCCCN1C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123993 992410580 /nfs/dbraw/zinc/41/05/80/992410580.db2.gz ONEVYCLVZOFMRH-LJQANCHMSA-N 0 1 359.514 2.746 20 10 FFCDMN COc1cccc(C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)[O-])c1 ZINC001599669511 994785937 /nfs/dbraw/zinc/78/59/37/994785937.db2.gz HATSAJJYJBRAFF-HNNXBMFYSA-N 0 1 353.777 2.979 20 10 FFCDMN CN1CCN(c2ccc(CN3CCC(=O)Nc4cc(F)ccc43)cc2)CC1 ZINC000811508483 995170514 /nfs/dbraw/zinc/17/05/14/995170514.db2.gz RXYMOCBZWZQVMK-UHFFFAOYSA-N 0 1 368.456 2.926 20 10 FFCDMN 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20 10 FFCDMN Cc1ncsc1CN1CCO[C@H]2CN(Cc3ccc(C)cc3O)C[C@H]21 ZINC001279338969 1043011537 /nfs/dbraw/zinc/01/15/37/1043011537.db2.gz SIHDEDWZITYFBJ-AEFFLSMTSA-N 0 1 359.495 2.551 20 10 FFCDMN COc1cc(N(C)C)ccc1CN1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001279430877 1043104945 /nfs/dbraw/zinc/10/49/45/1043104945.db2.gz WYMGUIZPUGDYGR-FPOVZHCZSA-N 0 1 359.514 2.589 20 10 FFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@H]2C1 ZINC001237489632 1043203244 /nfs/dbraw/zinc/20/32/44/1043203244.db2.gz ZSMYMVNPSXICHE-DBXWQHBBSA-N 0 1 372.509 2.940 20 10 FFCDMN O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC001279525258 1043224436 /nfs/dbraw/zinc/22/44/36/1043224436.db2.gz KZYXGSVKNHRHNW-CALCHBBNSA-N 0 1 357.429 2.667 20 10 FFCDMN COCCOCN1CCC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001279528466 1043229483 /nfs/dbraw/zinc/22/94/83/1043229483.db2.gz CQRWBMGONZAAKH-HXUWFJFHSA-N 0 1 366.477 2.830 20 10 FFCDMN c1nnc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)[nH]1 ZINC001237605385 1043265603 /nfs/dbraw/zinc/26/56/03/1043265603.db2.gz VRMLQOYFFRKWAE-UHFFFAOYSA-N 0 1 360.421 2.935 20 10 FFCDMN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237617409 1043274507 /nfs/dbraw/zinc/27/45/07/1043274507.db2.gz QDSJUZGBCUVHOY-RHSMWYFYSA-N 0 1 357.809 2.729 20 10 FFCDMN CCOC(=O)c1c2c(nn1C)CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC001237623499 1043279480 /nfs/dbraw/zinc/27/94/80/1043279480.db2.gz HVESOPVIVLELOI-UHFFFAOYSA-N 0 1 353.781 2.611 20 10 FFCDMN CC(=O)N(C)C1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237681674 1043308050 /nfs/dbraw/zinc/30/80/50/1043308050.db2.gz KHLHDQVZEDXUEA-UHFFFAOYSA-N 0 1 355.276 2.906 20 10 FFCDMN C[NH+](C)[C@@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237779697 1043353392 /nfs/dbraw/zinc/35/33/92/1043353392.db2.gz LTFNDMGQWUBFGI-GFCCVEGCSA-N 0 1 360.239 2.523 20 10 FFCDMN [O-]c1c(I)cccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001237780593 1043353120 /nfs/dbraw/zinc/35/31/20/1043353120.db2.gz PPPDTLOVISRGKS-UHFFFAOYSA-N 0 1 373.234 2.999 20 10 FFCDMN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2c(F)ccc(F)c2[O-])C3)c1C ZINC001279733579 1043552079 /nfs/dbraw/zinc/55/20/79/1043552079.db2.gz SPEILUPCPQUSMB-ADLMAVQZSA-N 0 1 363.364 2.736 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238235656 1043618335 /nfs/dbraw/zinc/61/83/35/1043618335.db2.gz WAWADMLBVPANIM-UHFFFAOYSA-N 0 1 358.413 2.993 20 10 FFCDMN COc1cc(CN2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)cc(O)c1O ZINC001279860172 1043785553 /nfs/dbraw/zinc/78/55/53/1043785553.db2.gz IXNAFPJPMPUHFG-AWEZNQCLSA-N 0 1 362.470 2.623 20 10 FFCDMN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2O1 ZINC001279976378 1044020570 /nfs/dbraw/zinc/02/05/70/1044020570.db2.gz UHCSIHQOBRAMAD-YVLXSGLVSA-N 0 1 373.280 2.767 20 10 FFCDMN O=C(Nc1nnco1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001280006486 1044076587 /nfs/dbraw/zinc/07/65/87/1044076587.db2.gz DWMNIGHUQMLXJM-UGSOOPFHSA-N 0 1 360.389 2.545 20 10 FFCDMN O=C(NCC(F)F)[C@@H]1CCC[C@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001280006702 1044079014 /nfs/dbraw/zinc/07/90/14/1044079014.db2.gz MCYJAQDZSWBKDV-SCLBCKFNSA-N 0 1 356.388 2.905 20 10 FFCDMN Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)Nc2ccc(O)cc2O)c(O)c1 ZINC001280046958 1044134189 /nfs/dbraw/zinc/13/41/89/1044134189.db2.gz SZJQWXJRGQVHMR-VBKZILBWSA-N 0 1 354.406 2.715 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C2CC2)C1=O ZINC001319381586 1045130809 /nfs/dbraw/zinc/13/08/09/1045130809.db2.gz XPEKMCBWPVFNGA-CQSZACIVSA-N 0 1 353.260 2.740 20 10 FFCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCC(F)(F)F ZINC001320253037 1045375691 /nfs/dbraw/zinc/37/56/91/1045375691.db2.gz OJLZAFMONCPOGF-YUMQZZPRSA-N 0 1 369.181 2.872 20 10 FFCDMN CN(C)c1ncccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC001323447722 1045593859 /nfs/dbraw/zinc/59/38/59/1045593859.db2.gz XQGGGQJBMOJEGJ-UHFFFAOYSA-N 0 1 354.498 2.646 20 10 FFCDMN CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1(C)C ZINC001539707174 1070684923 /nfs/dbraw/zinc/68/49/23/1070684923.db2.gz OOFUKMHWEOKGRT-IPMKNSEASA-N 0 1 359.514 2.723 20 10 FFCDMN CCOc1ccc(N2CCN(C[C@@H](O)COc3cccc(C)c3)CC2)cc1 ZINC001323176642 1046372789 /nfs/dbraw/zinc/37/27/89/1046372789.db2.gz IPTYVQPVQXOZRR-HXUWFJFHSA-N 0 1 370.493 2.956 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])c3ccsc3)cc2)CC1 ZINC001326322762 1046874178 /nfs/dbraw/zinc/87/41/78/1046874178.db2.gz DQRBHVJOAMSEES-GOSISDBHSA-N 0 1 359.495 2.806 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC001333218987 1048764604 /nfs/dbraw/zinc/76/46/04/1048764604.db2.gz PPBJOLJCTIBNQP-LEWJYISDSA-N 0 1 365.477 2.841 20 10 FFCDMN CC(C)Cn1[nH]c(CC(=O)NCc2c(O)ccc3ccccc32)cc1=O ZINC001304090609 1051529805 /nfs/dbraw/zinc/52/98/05/1051529805.db2.gz KUEFZRYHXBGOBA-UHFFFAOYSA-N 0 1 353.422 2.550 20 10 FFCDMN O=C1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1CC1CC1 ZINC001308502533 1052462458 /nfs/dbraw/zinc/46/24/58/1052462458.db2.gz UDHSYYIFNMNYKN-KRWDZBQOSA-N 0 1 372.469 2.686 20 10 FFCDMN O=C(N1C[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1)C(F)(F)F ZINC001308765905 1052496618 /nfs/dbraw/zinc/49/66/18/1052496618.db2.gz LCURWTGHWFLQNT-MWLCHTKSSA-N 0 1 364.314 2.513 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C\c3nccs3)cc2F)CC1 ZINC001345719312 1052587181 /nfs/dbraw/zinc/58/71/81/1052587181.db2.gz ZAWBCTYOFTXYCV-WAYWQWQTSA-N 0 1 374.485 2.754 20 10 FFCDMN C[C@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337784372 1055015789 /nfs/dbraw/zinc/01/57/89/1055015789.db2.gz AYCJHMYFCKJHMF-HNNXBMFYSA-N 0 1 370.453 2.903 20 10 FFCDMN CCc1cccc(CN2CCN(CC(=O)NC3CCCCC3)CC2)c1O ZINC000848887055 1055306267 /nfs/dbraw/zinc/30/62/67/1055306267.db2.gz ZZKLUGBTYOXRSG-UHFFFAOYSA-N 0 1 359.514 2.521 20 10 FFCDMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1c(F)ccc(O)c1O ZINC001457976879 1060483888 /nfs/dbraw/zinc/48/38/88/1060483888.db2.gz ZPPTTXKONXQCJQ-UHFFFAOYSA-N 0 1 373.234 2.995 20 10 FFCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC001460651896 1061047680 /nfs/dbraw/zinc/04/76/80/1061047680.db2.gz PPXSUYVHNLMZJH-UHFFFAOYSA-N 0 1 369.465 2.855 20 10 FFCDMN Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c(O)c1 ZINC001461955197 1061461412 /nfs/dbraw/zinc/46/14/12/1061461412.db2.gz IFBNPIKSBHVHNE-VQIMIIECSA-N 0 1 359.514 2.513 20 10 FFCDMN COc1cc(C)c(CN2CCc3nnc(N4CCCC4)cc3C2)c(O)c1 ZINC001462447986 1061627979 /nfs/dbraw/zinc/62/79/79/1061627979.db2.gz MEDSKCFBZUYJRL-UHFFFAOYSA-N 0 1 354.454 2.658 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC=CCC3)cc2)CC1 ZINC001479117209 1062237938 /nfs/dbraw/zinc/23/79/38/1062237938.db2.gz GAWXHSHRFNBBES-GOSISDBHSA-N 0 1 356.514 2.984 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC001471189811 1064594971 /nfs/dbraw/zinc/59/49/71/1064594971.db2.gz BXJFASBJFOPIBQ-IBGZPJMESA-N 0 1 356.514 2.770 20 10 FFCDMN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471565835 1064717479 /nfs/dbraw/zinc/71/74/79/1064717479.db2.gz WJERAAJESCOVBT-FXAWDEMLSA-N 0 1 361.530 2.632 20 10 FFCDMN CCCN(Cc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CC(=O)N(C)C1=O ZINC001473420279 1065261371 /nfs/dbraw/zinc/26/13/71/1065261371.db2.gz ZZNHXDHKTIZCQZ-LJQANCHMSA-N 0 1 357.498 2.955 20 10 FFCDMN NC(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC001474091393 1065455555 /nfs/dbraw/zinc/45/55/55/1065455555.db2.gz GAZFVICBFSOKMN-LJQANCHMSA-N 0 1 373.884 2.883 20 10 FFCDMN O=C1N(CC[NH2+]Cc2c([O-])cccc2Br)C[C@@H]2CCCCN12 ZINC001474637166 1065567858 /nfs/dbraw/zinc/56/78/58/1065567858.db2.gz XNCCFZXTZXSNQS-LBPRGKRZSA-N 0 1 368.275 2.534 20 10 FFCDMN Cc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c(O)c1O ZINC001568829731 1077114025 /nfs/dbraw/zinc/11/40/25/1077114025.db2.gz ABUMHHPBNZFKIZ-UHFFFAOYSA-N 0 1 372.812 2.817 20 10 FFCDMN Cc1cc(C(=O)N2CCC(c3nn[nH]n3)CC2)c(C)n1-c1cccc(C)c1 ZINC001587870044 1079882623 /nfs/dbraw/zinc/88/26/23/1079882623.db2.gz OAACFRGHNZUBFL-UHFFFAOYSA-N 0 1 364.453 2.935 20 10 FFCDMN Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001589179966 1080399135 /nfs/dbraw/zinc/39/91/35/1080399135.db2.gz TYTDHYVYQCHHNN-UHFFFAOYSA-N 0 1 363.465 2.553 20 10 FFCDMN CC[C@H](NCc1nnc2n1CCOC2)c1cc(Br)ccc1O ZINC000368990841 512171440 /nfs/dbraw/zinc/17/14/40/512171440.db2.gz PEYVVWTXHHMBJG-LBPRGKRZSA-N 0 1 367.247 2.517 20 10 FFCDMN CN(C)c1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000043862649 506793389 /nfs/dbraw/zinc/79/33/89/506793389.db2.gz JHQMSBMJRMORQA-UHFFFAOYSA-N 0 1 367.497 2.611 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000093869858 508158078 /nfs/dbraw/zinc/15/80/78/508158078.db2.gz OJQDQBGCPKNZIQ-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000093869858 508158079 /nfs/dbraw/zinc/15/80/79/508158079.db2.gz OJQDQBGCPKNZIQ-LBPRGKRZSA-N 0 1 350.260 2.953 20 10 FFCDMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000097357398 508223910 /nfs/dbraw/zinc/22/39/10/508223910.db2.gz ZZILFYUHMAMPHA-UHFFFAOYSA-N 0 1 366.469 2.765 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(C)nc3)cc2F)CC1 ZINC000106702039 508403791 /nfs/dbraw/zinc/40/37/91/508403791.db2.gz MAEICFGXYBTORS-UHFFFAOYSA-N 0 1 370.472 2.530 20 10 FFCDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1O ZINC000123467942 508691644 /nfs/dbraw/zinc/69/16/44/508691644.db2.gz PJNNGWHSGCFXQV-UHFFFAOYSA-N 0 1 362.376 2.562 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000120544055 509018208 /nfs/dbraw/zinc/01/82/08/509018208.db2.gz PXQLWMXOJDVFDZ-ZDUSSCGKSA-N 0 1 365.474 2.732 20 10 FFCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000132631939 509055253 /nfs/dbraw/zinc/05/52/53/509055253.db2.gz KORPOJYHTLHVRM-INIZCTEOSA-N 0 1 368.485 2.837 20 10 FFCDMN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000186102983 509522748 /nfs/dbraw/zinc/52/27/48/509522748.db2.gz SXOUREHBSBWIKH-UKRRQHHQSA-N 0 1 352.438 2.949 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccnc3)cc2F)CC1 ZINC000174682347 510248369 /nfs/dbraw/zinc/24/83/69/510248369.db2.gz JOOYMHLUBGUJSY-INIZCTEOSA-N 0 1 370.472 2.783 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000177892346 510313344 /nfs/dbraw/zinc/31/33/44/510313344.db2.gz JHGMSYCHSGLDKF-OAHLLOKOSA-N 0 1 371.485 2.580 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)NCc2n[nH]c(C(C)C)n2)cc1F ZINC000297341801 510910372 /nfs/dbraw/zinc/91/03/72/510910372.db2.gz SNZKHPCVJHLCKL-UHFFFAOYSA-N 0 1 362.453 2.913 20 10 FFCDMN COc1c([O-])c(C[NH2+]Cc2cccnc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000278309858 510988174 /nfs/dbraw/zinc/98/81/74/510988174.db2.gz DWEJCLMNFJLJTA-UHFFFAOYSA-N 0 1 369.324 2.638 20 10 FFCDMN COc1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000294960428 511235722 /nfs/dbraw/zinc/23/57/22/511235722.db2.gz IGOKLGGJDKPBGL-SFHVURJKSA-N 0 1 357.454 2.531 20 10 FFCDMN CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)CC)s2)c1 ZINC000280687179 511564155 /nfs/dbraw/zinc/56/41/55/511564155.db2.gz VLOWFOPKWSZPJS-UHFFFAOYSA-N 0 1 355.481 2.936 20 10 FFCDMN COc1cccc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280832319 511621140 /nfs/dbraw/zinc/62/11/40/511621140.db2.gz WYHGZMPFGKIRHM-KDOFPFPSSA-N 0 1 363.479 2.973 20 10 FFCDMN CCOc1cc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)ncn1 ZINC000302261225 511708515 /nfs/dbraw/zinc/70/85/15/511708515.db2.gz CPYXNDXJBBPEIF-UHFFFAOYSA-N 0 1 359.449 2.768 20 10 FFCDMN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905689 511843041 /nfs/dbraw/zinc/84/30/41/511843041.db2.gz DZVRESMLKWTRIA-LLVKDONJSA-N 0 1 371.224 2.524 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000374428747 512829664 /nfs/dbraw/zinc/82/96/64/512829664.db2.gz MSKLHMWGHNHZTF-CGTJXYLNSA-N 0 1 366.889 2.932 20 10 FFCDMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370742081 513079570 /nfs/dbraw/zinc/07/95/70/513079570.db2.gz VJBKUFJAGBPIDQ-FQEVSTJZSA-N 0 1 371.481 2.919 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC23CC(C2)CO3)C1 ZINC000529872933 517408853 /nfs/dbraw/zinc/40/88/53/517408853.db2.gz SIPIUNFVBGAJCQ-UHFFFAOYSA-N 0 1 367.493 2.703 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2=CCCOC2)C1 ZINC000554079398 518051725 /nfs/dbraw/zinc/05/17/25/518051725.db2.gz UHRVWABLIFPXPX-UHFFFAOYSA-N 0 1 367.493 2.871 20 10 FFCDMN O=C([O-])C[N@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739793605 600315959 /nfs/dbraw/zinc/31/59/59/600315959.db2.gz IDZRFTGKCLLQBB-DEOSSOPVSA-N 0 1 367.854 2.740 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000833307573 604640135 /nfs/dbraw/zinc/64/01/35/604640135.db2.gz JHHBYJQFKATOEN-IRXDYDNUSA-N 0 1 359.447 2.950 20 10 FFCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812367 605599644 /nfs/dbraw/zinc/59/96/44/605599644.db2.gz IYOGZRQXOBKFFP-GDBMZVCRSA-N 0 1 365.449 2.530 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000897950822 735296819 /nfs/dbraw/zinc/29/68/19/735296819.db2.gz UDJPTFJMPWFQNC-SJKOYZFVSA-N 0 1 364.239 2.987 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070408 728464573 /nfs/dbraw/zinc/46/45/73/728464573.db2.gz FOHIIRYPSUOJRZ-LBPRGKRZSA-N 0 1 351.248 2.658 20 10 FFCDMN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092510069 728468155 /nfs/dbraw/zinc/46/81/55/728468155.db2.gz NJXNGEIOMVGFAH-ZDUSSCGKSA-N 0 1 355.822 2.787 20 10 FFCDMN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092510069 728468156 /nfs/dbraw/zinc/46/81/56/728468156.db2.gz NJXNGEIOMVGFAH-ZDUSSCGKSA-N 0 1 355.822 2.787 20 10 FFCDMN COc1ccc(N(C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl ZINC000121972874 728642827 /nfs/dbraw/zinc/64/28/27/728642827.db2.gz FLHLTUUYKIODNP-UHFFFAOYSA-N 0 1 365.842 2.807 20 10 FFCDMN Cc1csc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000133844489 728727992 /nfs/dbraw/zinc/72/79/92/728727992.db2.gz NZCWPNYNKKKVAG-UHFFFAOYSA-N 0 1 358.511 2.610 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(=O)[nH]c1 ZINC000134260942 728729288 /nfs/dbraw/zinc/72/92/88/728729288.db2.gz XCSIOGSAIDOGJI-HNNXBMFYSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]c1 ZINC000134260942 728729289 /nfs/dbraw/zinc/72/92/89/728729289.db2.gz XCSIOGSAIDOGJI-HNNXBMFYSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]c1 ZINC000134260942 728729290 /nfs/dbraw/zinc/72/92/90/728729290.db2.gz XCSIOGSAIDOGJI-HNNXBMFYSA-N 0 1 361.829 2.541 20 10 FFCDMN CN(C)c1ccc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)cc1 ZINC000179417379 729185727 /nfs/dbraw/zinc/18/57/27/729185727.db2.gz GBKZLGRSIKAMAC-UHFFFAOYSA-N 0 1 359.495 2.682 20 10 FFCDMN CCOC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000179748022 729193427 /nfs/dbraw/zinc/19/34/27/729193427.db2.gz DVGOLFPNOHXIKU-UHFFFAOYSA-N 0 1 357.248 2.819 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593738 730346768 /nfs/dbraw/zinc/34/67/68/730346768.db2.gz CIXRVDBEKBMTDK-KRWDZBQOSA-N 0 1 351.834 2.561 20 10 FFCDMN COc1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858093241 730416264 /nfs/dbraw/zinc/41/62/64/730416264.db2.gz WDOLFOIEFCEIHV-MRXNPFEDSA-N 0 1 352.228 2.987 20 10 FFCDMN COc1cccc(CNCc2cc(Br)cnc2OC)c1O ZINC000858249590 730420918 /nfs/dbraw/zinc/42/09/18/730420918.db2.gz SPFSCZKQFSCURF-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN CC(C)C(=O)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862219614 730677625 /nfs/dbraw/zinc/67/76/25/730677625.db2.gz GZYLKLOXVCXGRX-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c([O-])cccc1Br ZINC000862350814 730690527 /nfs/dbraw/zinc/69/05/27/730690527.db2.gz CEOLCPUAKNVPPG-CYBMUJFWSA-N 0 1 369.303 2.840 20 10 FFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([O-])cccc1Br ZINC000862350814 730690528 /nfs/dbraw/zinc/69/05/28/730690528.db2.gz CEOLCPUAKNVPPG-CYBMUJFWSA-N 0 1 369.303 2.840 20 10 FFCDMN O=C(CCC1(O)CCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000866764647 731096864 /nfs/dbraw/zinc/09/68/64/731096864.db2.gz PMYFTWGZDUCEEE-MRXNPFEDSA-N 0 1 366.889 2.821 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cc(O)cc(F)c2)ccc1O ZINC000872371697 731758202 /nfs/dbraw/zinc/75/82/02/731758202.db2.gz PXYCUHACANCXLY-UHFFFAOYSA-N 0 1 355.387 2.963 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691797 732414884 /nfs/dbraw/zinc/41/48/84/732414884.db2.gz OVCDBUXMIHIFLL-UHFFFAOYSA-N 0 1 358.276 2.502 20 10 FFCDMN O=C(c1cc(C(F)F)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878781031 732592706 /nfs/dbraw/zinc/59/27/06/732592706.db2.gz SJIFEQQGYJJBKG-GFCCVEGCSA-N 0 1 351.353 2.874 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000878872119 732607039 /nfs/dbraw/zinc/60/70/39/732607039.db2.gz ACCBDFLQMSXTFI-FUHWJXTLSA-N 0 1 351.418 2.534 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000878872117 732607067 /nfs/dbraw/zinc/60/70/67/732607067.db2.gz ACCBDFLQMSXTFI-AEFFLSMTSA-N 0 1 351.418 2.534 20 10 FFCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155288 738697601 /nfs/dbraw/zinc/69/76/01/738697601.db2.gz JMZGQXALYNIGLI-VQISRLSMSA-N 0 1 356.260 2.735 20 10 FFCDMN CCC[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730111780 734616847 /nfs/dbraw/zinc/61/68/47/734616847.db2.gz NPCGIRAGJDXVEZ-OAHLLOKOSA-N 0 1 350.482 2.955 20 10 FFCDMN Cc1nc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc1C ZINC000893327348 734687415 /nfs/dbraw/zinc/68/74/15/734687415.db2.gz ANFFRYRUVBXDBF-INIZCTEOSA-N 0 1 358.511 2.751 20 10 FFCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000894016392 734787026 /nfs/dbraw/zinc/78/70/26/734787026.db2.gz DNWGLHXJFDRANT-LBPRGKRZSA-N 0 1 364.667 2.781 20 10 FFCDMN C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025746 734788572 /nfs/dbraw/zinc/78/85/72/734788572.db2.gz GAEVRTLTWNZXDE-BDAKNGLRSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025746 734788576 /nfs/dbraw/zinc/78/85/76/734788576.db2.gz GAEVRTLTWNZXDE-BDAKNGLRSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(Br)cc(F)c1O ZINC000894040871 734791324 /nfs/dbraw/zinc/79/13/24/734791324.db2.gz XHUNSNYGSIRGCU-MGOSUKFUSA-N 0 1 350.253 2.635 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000894746930 734909083 /nfs/dbraw/zinc/90/90/83/734909083.db2.gz DOIJRTIMIYNOJY-UONOGXRCSA-N 0 1 360.223 2.674 20 10 FFCDMN COc1ccc(Br)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000747693630 735583098 /nfs/dbraw/zinc/58/30/98/735583098.db2.gz ONARCNYQYPIONP-GXDHUFHOSA-N 0 1 373.206 2.919 20 10 FFCDMN CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000901127130 735747145 /nfs/dbraw/zinc/74/71/45/735747145.db2.gz INSFFNKKUNYEJQ-MAZHCROVSA-N 0 1 354.878 2.533 20 10 FFCDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000753781132 736094250 /nfs/dbraw/zinc/09/42/50/736094250.db2.gz VHEHBUHYRUUFCA-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756523622 736338503 /nfs/dbraw/zinc/33/85/03/736338503.db2.gz CYHGDQMLZMPTAJ-BBRMVZONSA-N 0 1 353.894 2.639 20 10 FFCDMN O=C1NCCc2ccc(C[NH2+]Cc3cc(Br)ccc3[O-])cc21 ZINC000757942988 736437635 /nfs/dbraw/zinc/43/76/35/736437635.db2.gz LOKPPNVOLVXFKJ-UHFFFAOYSA-N 0 1 361.239 2.730 20 10 FFCDMN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000766047459 737186536 /nfs/dbraw/zinc/18/65/36/737186536.db2.gz JIXLJLDYFAVSIS-UHFFFAOYSA-N 0 1 363.391 2.572 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000766048950 737187057 /nfs/dbraw/zinc/18/70/57/737187057.db2.gz XZNQYYGXUDZBTG-UHFFFAOYSA-N 0 1 350.352 2.612 20 10 FFCDMN C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768077278 737396025 /nfs/dbraw/zinc/39/60/25/737396025.db2.gz GIARLXKCUPAHIZ-XOKHGSTOSA-N 0 1 366.889 2.799 20 10 FFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@H]1c1cccs1 ZINC000769477981 737533874 /nfs/dbraw/zinc/53/38/74/737533874.db2.gz BZVZLTJRRNGPJE-ZDUSSCGKSA-N 0 1 367.268 2.889 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccn3cnnc23)C1 ZINC000771203262 737705902 /nfs/dbraw/zinc/70/59/02/737705902.db2.gz OSDCLESBJNIYKT-CQSZACIVSA-N 0 1 358.833 2.560 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nccn3cnnc23)C1 ZINC000771203262 737705906 /nfs/dbraw/zinc/70/59/06/737705906.db2.gz OSDCLESBJNIYKT-CQSZACIVSA-N 0 1 358.833 2.560 20 10 FFCDMN CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775503291 738097742 /nfs/dbraw/zinc/09/77/42/738097742.db2.gz FOAMFATURDLGRD-MRXNPFEDSA-N 0 1 353.894 2.639 20 10 FFCDMN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000775720674 738117429 /nfs/dbraw/zinc/11/74/29/738117429.db2.gz OIQIKYZNJHAOCD-YOEHRIQHSA-N 0 1 357.420 2.590 20 10 FFCDMN CCOC(=O)c1ccc(N2CC([NH2+]Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000784626336 738909330 /nfs/dbraw/zinc/90/93/30/738909330.db2.gz ZYIWGNGHQRQYET-UHFFFAOYSA-N 0 1 361.829 2.596 20 10 FFCDMN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cccc(Br)c1O ZINC000788432434 739244330 /nfs/dbraw/zinc/24/43/30/739244330.db2.gz CSIQMLMBWVWQBQ-TZMCWYRMSA-N 0 1 354.244 2.725 20 10 FFCDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982954 739305801 /nfs/dbraw/zinc/30/58/01/739305801.db2.gz KSDLCAJUPSJDBK-ZIAGYGMSSA-N 0 1 353.894 2.694 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000790416386 739451463 /nfs/dbraw/zinc/45/14/63/739451463.db2.gz VVZHLPSRKHQKAY-UHFFFAOYSA-N 0 1 352.387 2.853 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167361 739645559 /nfs/dbraw/zinc/64/55/59/739645559.db2.gz PMNPEHQDBBMAJB-NEPJUHHUSA-N 0 1 358.841 2.548 20 10 FFCDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792975390 739725463 /nfs/dbraw/zinc/72/54/63/739725463.db2.gz HROAVYWHGNKMQH-NSHDSACASA-N 0 1 352.422 2.684 20 10 FFCDMN CN(C)c1ccc(CNCCS(=O)(=O)CCc2ccccc2)cc1F ZINC000800311168 740511166 /nfs/dbraw/zinc/51/11/66/740511166.db2.gz KMKUZZNPVGWZMH-UHFFFAOYSA-N 0 1 364.486 2.639 20 10 FFCDMN COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3ccsc3)CC2)cc1 ZINC000801569093 740632914 /nfs/dbraw/zinc/63/29/14/740632914.db2.gz BNNDUYYPUVWWRJ-HNNXBMFYSA-N 0 1 359.495 2.756 20 10 FFCDMN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000801735636 740646802 /nfs/dbraw/zinc/64/68/02/740646802.db2.gz WBVWZVDZXRIKJA-CYBMUJFWSA-N 0 1 368.886 2.892 20 10 FFCDMN CC(C)n1cnc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135550 740944154 /nfs/dbraw/zinc/94/41/54/740944154.db2.gz NVYDCSMBPWDQCO-UHFFFAOYSA-N 0 1 364.254 2.955 20 10 FFCDMN CC(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC000805143411 740945514 /nfs/dbraw/zinc/94/55/14/740945514.db2.gz JROFHNZBPZTBNL-GFCCVEGCSA-N 0 1 360.241 2.508 20 10 FFCDMN O=C(NCc1noc(C2CC2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000805241026 740952636 /nfs/dbraw/zinc/95/26/36/740952636.db2.gz FJCKRHMQNQHSPK-UHFFFAOYSA-N 0 1 357.197 2.959 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000805824962 741014513 /nfs/dbraw/zinc/01/45/13/741014513.db2.gz IMGWPLTWTIXNAR-CQSZACIVSA-N 0 1 352.862 2.986 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccncc1[N+](=O)[O-] ZINC000806380262 741056019 /nfs/dbraw/zinc/05/60/19/741056019.db2.gz MTEHNCGLTLQLGY-UHFFFAOYSA-N 0 1 357.153 2.746 20 10 FFCDMN Cc1cc(O)cc(=O)n1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836910 741162949 /nfs/dbraw/zinc/16/29/49/741162949.db2.gz UGWWEMLLVVUCGB-UHFFFAOYSA-N 0 1 371.220 2.581 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000809746009 741339626 /nfs/dbraw/zinc/33/96/26/741339626.db2.gz JLHGIUQYRHHLAL-UHFFFAOYSA-N 0 1 351.244 2.934 20 10 FFCDMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000809785983 741343632 /nfs/dbraw/zinc/34/36/32/741343632.db2.gz JZLSWDOIOZWCRV-ZDUSSCGKSA-N 0 1 374.934 2.928 20 10 FFCDMN O=C(c1cccc(O)c1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816501665 742035456 /nfs/dbraw/zinc/03/54/56/742035456.db2.gz WVQGDVLKYDDCHQ-UHFFFAOYSA-N 0 1 364.804 2.848 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817881474 742220366 /nfs/dbraw/zinc/22/03/66/742220366.db2.gz UONFTXXCQGCPKA-VHSXEESVSA-N 0 1 358.232 2.848 20 10 FFCDMN CN(C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccs1 ZINC000819166309 742346758 /nfs/dbraw/zinc/34/67/58/742346758.db2.gz TTZNWQJOQNAFAG-CQSZACIVSA-N 0 1 359.451 2.521 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655208 743124122 /nfs/dbraw/zinc/12/41/22/743124122.db2.gz VARNBWDFJPIVFG-KCPJHIHWSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655208 743124126 /nfs/dbraw/zinc/12/41/26/743124126.db2.gz VARNBWDFJPIVFG-KCPJHIHWSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124496 743214558 /nfs/dbraw/zinc/21/45/58/743214558.db2.gz RDYJJYMUZHYENU-JOYOIKCWSA-N 0 1 354.166 2.900 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825375021 743258329 /nfs/dbraw/zinc/25/83/29/743258329.db2.gz INAYKWFKHRCWFD-UHFFFAOYSA-N 0 1 374.915 2.792 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000825922118 743343447 /nfs/dbraw/zinc/34/34/47/743343447.db2.gz IUWXIEKWHWLVGK-UHFFFAOYSA-N 0 1 351.244 2.934 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000825922118 743343456 /nfs/dbraw/zinc/34/34/56/743343456.db2.gz IUWXIEKWHWLVGK-UHFFFAOYSA-N 0 1 351.244 2.934 20 10 FFCDMN CCOc1cccc(CNCc2ccc(Cl)c(C(=O)OC)n2)c1O ZINC000826981461 743483065 /nfs/dbraw/zinc/48/30/65/743483065.db2.gz XHYCLIUQXJUOFD-UHFFFAOYSA-N 0 1 350.802 2.916 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827634393 744951192 /nfs/dbraw/zinc/95/11/92/744951192.db2.gz OIZVYAOCNFUHPX-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827634393 744951197 /nfs/dbraw/zinc/95/11/97/744951197.db2.gz OIZVYAOCNFUHPX-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN COC(=O)c1cnc(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000834383785 745828415 /nfs/dbraw/zinc/82/84/15/745828415.db2.gz WAHUXDXACXTIRG-ZDUSSCGKSA-N 0 1 352.481 2.515 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1[O-] ZINC000834850436 745914001 /nfs/dbraw/zinc/91/40/01/745914001.db2.gz MLDGNUCGVGNRPR-OCCSQVGLSA-N 0 1 357.292 2.652 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834851480 745914516 /nfs/dbraw/zinc/91/45/16/745914516.db2.gz YAQVOBVFOQXRPE-JSGCOSHPSA-N 0 1 357.292 2.652 20 10 FFCDMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000839465195 746832767 /nfs/dbraw/zinc/83/27/67/746832767.db2.gz VBHSBXFJWOGEGI-UHFFFAOYSA-N 0 1 360.889 2.963 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840938892 747235692 /nfs/dbraw/zinc/23/56/92/747235692.db2.gz HUFLNLFYXKUTBX-UHFFFAOYSA-N 0 1 360.907 2.505 20 10 FFCDMN [O-]c1c(Br)cc(Br)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841042220 747259933 /nfs/dbraw/zinc/25/99/33/747259933.db2.gz GHXGTWHTDCDNBP-SNVBAGLBSA-N 0 1 364.081 2.759 20 10 FFCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])C1(O)CCOCC1 ZINC000841889962 747482377 /nfs/dbraw/zinc/48/23/77/747482377.db2.gz 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ZINC000761980368 988019908 /nfs/dbraw/zinc/01/99/08/988019908.db2.gz BKOSSOYPRFMKAX-IMXKFXGHSA-N 0 1 374.872 2.573 20 10 FFCDMN Cn1cc(/C=C\C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000761980368 988019918 /nfs/dbraw/zinc/01/99/18/988019918.db2.gz BKOSSOYPRFMKAX-IMXKFXGHSA-N 0 1 374.872 2.573 20 10 FFCDMN Cn1cc(/C=C\C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000761980368 988019930 /nfs/dbraw/zinc/01/99/30/988019930.db2.gz BKOSSOYPRFMKAX-IMXKFXGHSA-N 0 1 374.872 2.573 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4)cc2)CC1 ZINC000879082490 1015355203 /nfs/dbraw/zinc/35/52/03/1015355203.db2.gz BZBUSPCSKTWUGN-UHFFFAOYSA-N 0 1 366.465 2.790 20 10 FFCDMN CCn1nc(C)c(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC000879090558 1015358656 /nfs/dbraw/zinc/35/86/56/1015358656.db2.gz BPDHJOIAWGAIBO-UHFFFAOYSA-N 0 1 370.501 2.593 20 10 FFCDMN COc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N2CCCC2)cc1 ZINC000186740782 989158809 /nfs/dbraw/zinc/15/88/09/989158809.db2.gz JIBWVXCYAZLOCH-QGZVFWFLSA-N 0 1 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OC1CCN(c2ccc(CNCc3cnn4ccccc34)cc2F)CC1 ZINC001560291041 1076261227 /nfs/dbraw/zinc/26/12/27/1076261227.db2.gz ZPVIQSZWPUVICX-UHFFFAOYSA-N 0 1 354.429 2.724 20 10 FFCDMN COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082002 1077892023 /nfs/dbraw/zinc/89/20/23/1077892023.db2.gz SZCNEVXJANLKHE-NEPJUHHUSA-N 0 1 362.401 2.647 20 10 FFCDMN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC001601660494 1126224816 /nfs/dbraw/zinc/22/48/16/1126224816.db2.gz SCHSSFRQOAGDHB-AWEZNQCLSA-N 0 1 350.212 2.940 20 10 FFCDMN Cn1ncc2c1C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CC2 ZINC000377089798 512118703 /nfs/dbraw/zinc/11/87/03/512118703.db2.gz OMZINBBARQUYNO-VIFPVBQESA-N 0 1 354.237 2.854 20 10 FFCDMN COc1c(O)c(CNc2cnccc2-n2cc(C)cn2)ccc1[N+](=O)[O-] ZINC000373205226 512220374 /nfs/dbraw/zinc/22/03/74/512220374.db2.gz QMGRVJYYEMUUCI-UHFFFAOYSA-N 0 1 355.354 2.810 20 10 FFCDMN CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000038082785 506433970 /nfs/dbraw/zinc/43/39/70/506433970.db2.gz KPCCYKSTCMKUME-MFKMUULPSA-N 0 1 362.289 2.630 20 10 FFCDMN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc2C1 ZINC000079497006 507968486 /nfs/dbraw/zinc/96/84/86/507968486.db2.gz UPNVJJNXTLNPQN-INIZCTEOSA-N 0 1 353.466 2.980 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000093870115 508158342 /nfs/dbraw/zinc/15/83/42/508158342.db2.gz VUGXXNUYTSVZEC-LLVKDONJSA-N 0 1 350.806 2.752 20 10 FFCDMN Cc1cc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]n1 ZINC000133385964 509153765 /nfs/dbraw/zinc/15/37/65/509153765.db2.gz NUWJATZFUMCNOW-UHFFFAOYSA-N 0 1 364.396 2.647 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000186375004 509677901 /nfs/dbraw/zinc/67/79/01/509677901.db2.gz CJRTUTFOKYELDC-AAEUAGOBSA-N 0 1 372.259 2.727 20 10 FFCDMN COc1ccc2c(c1)nc(CNCc1cc(OC)c(OC)cc1O)n2C ZINC000186553817 509767585 /nfs/dbraw/zinc/76/75/85/509767585.db2.gz DXDRBVMAYIVBMP-UHFFFAOYSA-N 0 1 357.410 2.595 20 10 FFCDMN COc1ccc(N2CCN(C(=O)c3sccc3CN(C)C)CC2)cc1 ZINC000268135378 509774451 /nfs/dbraw/zinc/77/44/51/509774451.db2.gz PJBNKAKIAOIFGY-UHFFFAOYSA-N 0 1 359.495 2.781 20 10 FFCDMN COc1cccc(CNC(=O)NCc2ccc(F)c(CN(C)C)c2)c1O ZINC000174989258 510423022 /nfs/dbraw/zinc/42/30/22/510423022.db2.gz OGKMMONHQGMVEL-UHFFFAOYSA-N 0 1 361.417 2.601 20 10 FFCDMN COC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000181645976 510520105 /nfs/dbraw/zinc/52/01/05/510520105.db2.gz WIOPIAUILRFDAP-HXUWFJFHSA-N 0 1 355.482 2.688 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1[O-] ZINC000182185105 510802186 /nfs/dbraw/zinc/80/21/86/510802186.db2.gz CZBCYHFUBOGRRH-HXUWFJFHSA-N 0 1 372.440 2.897 20 10 FFCDMN COc1cc(O)c(CN2CCN(C(C)=O)C3(CCCCC3)C2)cc1OC ZINC000271092811 511080849 /nfs/dbraw/zinc/08/08/49/511080849.db2.gz LNSYXNYRKGHKRA-UHFFFAOYSA-N 0 1 362.470 2.776 20 10 FFCDMN COCCn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000282815364 511120765 /nfs/dbraw/zinc/12/07/65/511120765.db2.gz RNCAJWJKZNXLMX-NSHDSACASA-N 0 1 354.248 2.848 20 10 FFCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)[nH]1 ZINC000271277107 511146602 /nfs/dbraw/zinc/14/66/02/511146602.db2.gz LCHWFVPICXFXDY-SNVBAGLBSA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000271277107 511146608 /nfs/dbraw/zinc/14/66/08/511146608.db2.gz LCHWFVPICXFXDY-SNVBAGLBSA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000271277107 511146614 /nfs/dbraw/zinc/14/66/14/511146614.db2.gz LCHWFVPICXFXDY-SNVBAGLBSA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n[nH]1 ZINC000271277107 511146618 /nfs/dbraw/zinc/14/66/18/511146618.db2.gz LCHWFVPICXFXDY-SNVBAGLBSA-N 0 1 351.794 2.760 20 10 FFCDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n[nH]1 ZINC000271277107 511146624 /nfs/dbraw/zinc/14/66/24/511146624.db2.gz LCHWFVPICXFXDY-SNVBAGLBSA-N 0 1 351.794 2.760 20 10 FFCDMN O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000294782973 511176781 /nfs/dbraw/zinc/17/67/81/511176781.db2.gz CUIKHIDSBOSDOG-CQSZACIVSA-N 0 1 350.434 2.965 20 10 FFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1C ZINC000295899802 511550078 /nfs/dbraw/zinc/55/00/78/511550078.db2.gz FCHDNZCKPVSIKB-OXJNMPFZSA-N 0 1 360.498 2.933 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3nc[nH]n3)no2)C1 ZINC000350196688 511741988 /nfs/dbraw/zinc/74/19/88/511741988.db2.gz LKSGQARUHCQEIY-UHFFFAOYSA-N 0 1 363.425 2.624 20 10 FFCDMN CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2ccc(C)cc2O)CC1 ZINC000296510651 511773860 /nfs/dbraw/zinc/77/38/60/511773860.db2.gz PMOVRIZMQPSQKF-SHACYNPGSA-N 0 1 353.484 2.538 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000372281910 512794835 /nfs/dbraw/zinc/79/48/35/512794835.db2.gz KRJQBLSZXLXZPD-KBPBESRZSA-N 0 1 357.834 2.597 20 10 FFCDMN CO[C@@H](C)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000461268075 514555679 /nfs/dbraw/zinc/55/56/79/514555679.db2.gz DLZLDVMVCFWMJY-CVEARBPZSA-N 0 1 357.498 2.947 20 10 FFCDMN Cc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)no1 ZINC000562467467 517127925 /nfs/dbraw/zinc/12/79/25/517127925.db2.gz XZRIILVWOOMIAO-UHFFFAOYSA-N 0 1 352.438 2.765 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC3(COC3)C2)C1 ZINC000620289619 522168088 /nfs/dbraw/zinc/16/80/88/522168088.db2.gz YKEFSGMUHYNOTI-UHFFFAOYSA-N 0 1 367.493 2.657 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898463 605914195 /nfs/dbraw/zinc/91/41/95/605914195.db2.gz UPXSPHKXQKDKOB-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898463 605914200 /nfs/dbraw/zinc/91/42/00/605914200.db2.gz UPXSPHKXQKDKOB-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN Oc1ccccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCO1 ZINC000826511372 608499156 /nfs/dbraw/zinc/49/91/56/608499156.db2.gz MWASNTIZJPPQAE-CQSZACIVSA-N 0 1 371.466 2.815 20 10 FFCDMN Oc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCO1 ZINC000826511372 608499157 /nfs/dbraw/zinc/49/91/57/608499157.db2.gz MWASNTIZJPPQAE-CQSZACIVSA-N 0 1 371.466 2.815 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)c1 ZINC000898367496 735348079 /nfs/dbraw/zinc/34/80/79/735348079.db2.gz DXOZGTNUWDIGEF-JTQLQIEISA-N 0 1 369.252 2.872 20 10 FFCDMN CCc1cc(CN2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000044554375 727988164 /nfs/dbraw/zinc/98/81/64/727988164.db2.gz XYLHNAXYLBYHEV-UHFFFAOYSA-N 0 1 368.543 2.719 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070409 728464496 /nfs/dbraw/zinc/46/44/96/728464496.db2.gz FOHIIRYPSUOJRZ-GFCCVEGCSA-N 0 1 351.248 2.658 20 10 FFCDMN Cc1cc(O)c(CN2CCN(Cc3nccn3C(F)F)CC2)cc1C ZINC000092614452 728469445 /nfs/dbraw/zinc/46/94/45/728469445.db2.gz WKESURFSOVVPOH-UHFFFAOYSA-N 0 1 350.413 2.918 20 10 FFCDMN CCCN(Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179638645 729190933 /nfs/dbraw/zinc/19/09/33/729190933.db2.gz DRJLXQORVOQSQH-CYBMUJFWSA-N 0 1 362.289 2.554 20 10 FFCDMN COC(=O)C(C)(C)N1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000779192028 738442405 /nfs/dbraw/zinc/44/24/05/738442405.db2.gz ZBESVOHHJZEJBJ-UHFFFAOYSA-N 0 1 361.269 2.768 20 10 FFCDMN CC(C)[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCOCC1 ZINC000858090722 730416274 /nfs/dbraw/zinc/41/62/74/730416274.db2.gz QKQXYGROIIONJD-HNNXBMFYSA-N 0 1 357.292 2.601 20 10 FFCDMN CCO[C@H]1C[C@](CO)([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000858158286 730418210 /nfs/dbraw/zinc/41/82/10/730418210.db2.gz DPSUXIKRFBLZGK-GOEBONIOSA-N 0 1 358.276 2.810 20 10 FFCDMN O=[S@@](CC[NH2+]Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000858186700 730419105 /nfs/dbraw/zinc/41/91/05/730419105.db2.gz JHPQKBNPJDQVGH-IBGZPJMESA-N 0 1 360.195 2.555 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000862347532 730690551 /nfs/dbraw/zinc/69/05/51/730690551.db2.gz FMDNZRMAUPKJQX-HNNXBMFYSA-N 0 1 366.259 2.823 20 10 FFCDMN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862402764 730697742 /nfs/dbraw/zinc/69/77/42/730697742.db2.gz RGSOJZJWZBHYAH-HNNXBMFYSA-N 0 1 367.287 2.891 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Br)cc1[O-] ZINC000866412662 731057312 /nfs/dbraw/zinc/05/73/12/731057312.db2.gz LSJXGLZDCPDETO-AAEUAGOBSA-N 0 1 357.292 2.651 20 10 FFCDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866463591 731063241 /nfs/dbraw/zinc/06/32/41/731063241.db2.gz BXKMNTZIDAIAQG-PGUXBMHVSA-N 0 1 350.356 2.625 20 10 FFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876522606 732254526 /nfs/dbraw/zinc/25/45/26/732254526.db2.gz WVAOOAHWZUNFRU-UHFFFAOYSA-N 0 1 365.474 2.561 20 10 FFCDMN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000926954260 738672818 /nfs/dbraw/zinc/67/28/18/738672818.db2.gz SPPWHEZEBOEYJJ-SNVBAGLBSA-N 0 1 364.305 2.876 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3scnc3C3CC3)cc2)CC1 ZINC000881852618 733120801 /nfs/dbraw/zinc/12/08/01/733120801.db2.gz YGDKJGULPQOWMB-UHFFFAOYSA-N 0 1 356.495 2.702 20 10 FFCDMN COCn1nc(C)c(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1C ZINC000882799081 733296796 /nfs/dbraw/zinc/29/67/96/733296796.db2.gz OSGWRNAKBMXYMF-UHFFFAOYSA-N 0 1 353.444 2.734 20 10 FFCDMN CCC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730111779 734616828 /nfs/dbraw/zinc/61/68/28/734616828.db2.gz NPCGIRAGJDXVEZ-HNNXBMFYSA-N 0 1 350.482 2.955 20 10 FFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732799523 734766036 /nfs/dbraw/zinc/76/60/36/734766036.db2.gz URYGSPQFIPTPLV-CQSZACIVSA-N 0 1 353.344 2.535 20 10 FFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732799523 734766039 /nfs/dbraw/zinc/76/60/39/734766039.db2.gz URYGSPQFIPTPLV-CQSZACIVSA-N 0 1 353.344 2.535 20 10 FFCDMN O=C([C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780426 734915560 /nfs/dbraw/zinc/91/55/60/734915560.db2.gz CVQUSOCETSPVNK-LLVKDONJSA-N 0 1 371.250 2.738 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395420 735152885 /nfs/dbraw/zinc/15/28/85/735152885.db2.gz IRXFJTCPLAPVIT-MLGOLLRUSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395420 735152888 /nfs/dbraw/zinc/15/28/88/735152888.db2.gz IRXFJTCPLAPVIT-MLGOLLRUSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396767 735153128 /nfs/dbraw/zinc/15/31/28/735153128.db2.gz KYWMLQUDYLPPET-ZBEGNZNMSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396767 735153131 /nfs/dbraw/zinc/15/31/31/735153131.db2.gz KYWMLQUDYLPPET-ZBEGNZNMSA-N 0 1 369.259 2.865 20 10 FFCDMN CN(C)c1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2)N(C)C)cc1 ZINC000897526309 735243141 /nfs/dbraw/zinc/24/31/41/735243141.db2.gz ZFBVLTFMVVQEBW-LJQANCHMSA-N 0 1 361.511 2.871 20 10 FFCDMN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)nn1 ZINC000902785968 735991810 /nfs/dbraw/zinc/99/18/10/735991810.db2.gz JUFXKZYFAOFQSD-LBPRGKRZSA-N 0 1 351.401 2.736 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903534873 736109420 /nfs/dbraw/zinc/10/94/20/736109420.db2.gz UIPIBLOOCXKYAJ-CHWSQXEVSA-N 0 1 350.768 2.960 20 10 FFCDMN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551683 736341646 /nfs/dbraw/zinc/34/16/46/736341646.db2.gz WMPKBGGYFRDXBY-NEPJUHHUSA-N 0 1 374.312 2.937 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(Br)cc1[O-] ZINC000756732056 736356386 /nfs/dbraw/zinc/35/63/86/736356386.db2.gz LNMHXAWQGQHAPO-IQOUGMIPSA-N 0 1 353.260 2.815 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000757659107 736417037 /nfs/dbraw/zinc/41/70/37/736417037.db2.gz YSDCBOJIKPEKDF-IUODEOHRSA-N 0 1 362.861 2.621 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C[C@@H](C)CS(C)(=O)=O ZINC000757842404 736430533 /nfs/dbraw/zinc/43/05/33/736430533.db2.gz QRDDOTNDWGZNNB-LLVKDONJSA-N 0 1 364.305 2.657 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907758721 736664394 /nfs/dbraw/zinc/66/43/94/736664394.db2.gz SROYDECYMFJCNZ-OCCSQVGLSA-N 0 1 353.260 2.788 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907758721 736664395 /nfs/dbraw/zinc/66/43/95/736664395.db2.gz SROYDECYMFJCNZ-OCCSQVGLSA-N 0 1 353.260 2.788 20 10 FFCDMN COc1cc(Cl)cc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000761199422 736706555 /nfs/dbraw/zinc/70/65/55/736706555.db2.gz OGSYYXOBOZPGSQ-LLVKDONJSA-N 0 1 366.767 2.649 20 10 FFCDMN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769339415 737519766 /nfs/dbraw/zinc/51/97/66/737519766.db2.gz XIRNCSJZORCTKO-CQSZACIVSA-N 0 1 367.833 2.931 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769415577 737525984 /nfs/dbraw/zinc/52/59/84/737525984.db2.gz VWCAMFMPMDRNTA-CQSZACIVSA-N 0 1 356.260 2.973 20 10 FFCDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)ccc1[O-] ZINC000775522603 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CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000809778841 741342699 /nfs/dbraw/zinc/34/26/99/741342699.db2.gz WTCAAKMRWLDGTG-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000809777657 741343008 /nfs/dbraw/zinc/34/30/08/741343008.db2.gz DGJNZNWFFMRYLY-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CNC(=O)[C@H](CCSC)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000809785015 741343365 /nfs/dbraw/zinc/34/33/65/741343365.db2.gz QLLONBZZSJARFJ-AWEZNQCLSA-N 0 1 363.449 2.729 20 10 FFCDMN CC[C@@H](NCc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000810237870 741400296 /nfs/dbraw/zinc/40/02/96/741400296.db2.gz FRUYYOMSVHLTGL-GFCCVEGCSA-N 0 1 356.348 2.774 20 10 FFCDMN CCOc1ccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515080 741532699 /nfs/dbraw/zinc/53/26/99/741532699.db2.gz VEMQZWQZOAFPMF-LBPRGKRZSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515080 741532701 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[O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000825358251 743255680 /nfs/dbraw/zinc/25/56/80/743255680.db2.gz PLWQQHXERMENRP-JKSUJKDBSA-N 0 1 369.303 2.888 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310533 743553086 /nfs/dbraw/zinc/55/30/86/743553086.db2.gz PKRBHWAWGQQVCV-GBLWAQSESA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310533 743553093 /nfs/dbraw/zinc/55/30/93/743553093.db2.gz PKRBHWAWGQQVCV-GBLWAQSESA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310533 743553098 /nfs/dbraw/zinc/55/30/98/743553098.db2.gz PKRBHWAWGQQVCV-GBLWAQSESA-N 0 1 364.873 2.719 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827688053 744960694 /nfs/dbraw/zinc/96/06/94/744960694.db2.gz ZCCQFAVKAJVHJQ-ZDUSSCGKSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827688053 744960698 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Cc1cc(Br)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414485 747831645 /nfs/dbraw/zinc/83/16/45/747831645.db2.gz GHLSHJCHUMVRKU-CQSZACIVSA-N 0 1 363.259 2.940 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843414729 747831683 /nfs/dbraw/zinc/83/16/83/747831683.db2.gz LSBOIABTMOJWOT-CYBMUJFWSA-N 0 1 363.259 2.940 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000846205964 748429958 /nfs/dbraw/zinc/42/99/58/748429958.db2.gz LUURNXJTAUIEBD-WDEREUQCSA-N 0 1 353.260 2.816 20 10 FFCDMN COc1ccc(N2CC[C@H](N[C@@H](c3cccs3)c3nnc[nH]3)C2)cc1 ZINC000850487038 749372232 /nfs/dbraw/zinc/37/22/32/749372232.db2.gz LHLNAMRUSKSOCW-GUYCJALGSA-N 0 1 355.467 2.833 20 10 FFCDMN COCCCN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275837778 1013060495 /nfs/dbraw/zinc/06/04/95/1013060495.db2.gz MWYRCCCNKDRMRL-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN COCCCN1CC[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275837778 1013060512 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COC(=O)c1cncc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000886507266 1008707075 /nfs/dbraw/zinc/70/70/75/1008707075.db2.gz CTFLCGQVHXDAKS-AWEZNQCLSA-N 0 1 373.428 2.695 20 10 FFCDMN COC(=O)c1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000773774261 1009153496 /nfs/dbraw/zinc/15/34/96/1009153496.db2.gz SRBFQMVIBYTTIC-KRWDZBQOSA-N 0 1 356.422 2.755 20 10 FFCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000861690074 1009513871 /nfs/dbraw/zinc/51/38/71/1009513871.db2.gz LAGJTVAFOKELRI-CYBMUJFWSA-N 0 1 365.437 2.753 20 10 FFCDMN CC[C@@H](C)N1CC[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1=O ZINC001274180283 1009568586 /nfs/dbraw/zinc/56/85/86/1009568586.db2.gz WBGTYISYUCXFEM-ADLMAVQZSA-N 0 1 366.845 2.614 20 10 FFCDMN CN1c2ccccc2[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1=O ZINC001274184259 1009571113 /nfs/dbraw/zinc/57/11/13/1009571113.db2.gz YPEGAPPUSYUBKW-IBGZPJMESA-N 0 1 372.808 2.512 20 10 FFCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnc(C4CC4)o3)cc2)C1 ZINC000862294433 1009785075 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FFCDMN CN1CCN(c2ccc(CNC(=O)N3CCC(C4CC4)CC3)cc2)CC1 ZINC001479185944 1062277081 /nfs/dbraw/zinc/27/70/81/1062277081.db2.gz WZCMRJSHKVVMSE-UHFFFAOYSA-N 0 1 356.514 2.770 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1OC ZINC001474351455 1065499650 /nfs/dbraw/zinc/49/96/50/1065499650.db2.gz VXMLJDQMRHFERN-QGZVFWFLSA-N 0 1 370.449 2.804 20 10 FFCDMN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2c[nH]nn2)c2ccccc2)c1 ZINC001577072820 1078300637 /nfs/dbraw/zinc/30/06/37/1078300637.db2.gz PHCZJGRWLLRVMX-KPZWWZAWSA-N 0 1 367.409 2.669 20 10 FFCDMN CN(C)c1ccc(CN(C(=O)c2ccc3c(n2)CNCC3)C2CC2)cc1 ZINC001578425596 1078473187 /nfs/dbraw/zinc/47/31/87/1078473187.db2.gz HLUDEWCDJUVNGF-UHFFFAOYSA-N 0 1 350.466 2.598 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@@H]2CCOC2)C1 ZINC000410237526 512228044 /nfs/dbraw/zinc/22/80/44/512228044.db2.gz PUUBSDVXDHTEJF-DLBZAZTESA-N 0 1 369.509 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@H]2CCOC2)C1 ZINC000410237533 512228585 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CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186030389 509489149 /nfs/dbraw/zinc/48/91/49/509489149.db2.gz YISOODCKGMBPJI-VHSXEESVSA-N 0 1 350.278 2.629 20 10 FFCDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464934 509543520 /nfs/dbraw/zinc/54/35/20/509543520.db2.gz SKSJSWWCWKVIAM-OAHLLOKOSA-N 0 1 372.488 2.599 20 10 FFCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000176680432 509637936 /nfs/dbraw/zinc/63/79/36/509637936.db2.gz LUGKJVUTHINYOK-HNNXBMFYSA-N 0 1 353.422 2.507 20 10 FFCDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000264691071 509649771 /nfs/dbraw/zinc/64/97/71/509649771.db2.gz HJUWHMDWKZHSBW-CYBMUJFWSA-N 0 1 371.437 2.818 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1[O-] ZINC000186375665 509677405 /nfs/dbraw/zinc/67/74/05/509677405.db2.gz JQEWJWDGSFEZPL-WCQYABFASA-N 0 1 372.259 2.727 20 10 FFCDMN Cc1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000183431914 509785071 /nfs/dbraw/zinc/78/50/71/509785071.db2.gz HVEXEIQSJSKLQR-NSHDSACASA-N 0 1 356.405 2.622 20 10 FFCDMN Cn1cc(-c2cc(CN(Cc3ccccc3O)C[C@H]3CCCO3)on2)cn1 ZINC000185032890 510646255 /nfs/dbraw/zinc/64/62/55/510646255.db2.gz TUVQOKFWLKQFBP-QGZVFWFLSA-N 0 1 368.437 2.962 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000276971047 510951281 /nfs/dbraw/zinc/95/12/81/510951281.db2.gz FJCIWICMVNITED-UHFFFAOYSA-N 0 1 363.259 2.703 20 10 FFCDMN COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278192344 510985542 /nfs/dbraw/zinc/98/55/42/510985542.db2.gz IDPIMFREGFIULQ-UHFFFAOYSA-N 0 1 360.366 2.728 20 10 FFCDMN COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278192344 510985558 /nfs/dbraw/zinc/98/55/58/510985558.db2.gz IDPIMFREGFIULQ-UHFFFAOYSA-N 0 1 360.366 2.728 20 10 FFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1[O-] ZINC000278804091 511007715 /nfs/dbraw/zinc/00/77/15/511007715.db2.gz RKVWWGHYAOCUHN-LBPRGKRZSA-N 0 1 355.276 2.670 20 10 FFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364739454 511055128 /nfs/dbraw/zinc/05/51/28/511055128.db2.gz ZXKXCKUGHCYGQR-IBGZPJMESA-N 0 1 374.448 2.770 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000364761630 511068199 /nfs/dbraw/zinc/06/81/99/511068199.db2.gz VWLCKUGQZSILEY-OAHLLOKOSA-N 0 1 371.393 2.513 20 10 FFCDMN COc1cc(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)cc1OC ZINC000289222626 511095739 /nfs/dbraw/zinc/09/57/39/511095739.db2.gz ADAAZIGZLZJPAJ-CQSZACIVSA-N 0 1 374.437 2.510 20 10 FFCDMN COc1cccc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)n[nH]c21 ZINC000292034055 511438818 /nfs/dbraw/zinc/43/88/18/511438818.db2.gz XBMNZTZKSPRDKO-UHFFFAOYSA-N 0 1 352.394 2.677 20 10 FFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1C ZINC000295899797 511549811 /nfs/dbraw/zinc/54/98/11/511549811.db2.gz FCHDNZCKPVSIKB-JXFKEZNVSA-N 0 1 360.498 2.933 20 10 FFCDMN Cc1ccc([C@H](N)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000280760334 511591686 /nfs/dbraw/zinc/59/16/86/511591686.db2.gz QNOLXOIMAFTKOO-NRFANRHFSA-N 0 1 367.493 2.520 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1[O-] ZINC000363869556 511819566 /nfs/dbraw/zinc/81/95/66/511819566.db2.gz RIYCFSRLGKITOA-DGCLKSJQSA-N 0 1 365.275 2.818 20 10 FFCDMN Cc1cc(C(=O)NCCN2CCC(O)CC2)c(C)n1-c1cccc(C)c1 ZINC000296975408 511972885 /nfs/dbraw/zinc/97/28/85/511972885.db2.gz OWYFWPSCGPNIAT-UHFFFAOYSA-N 0 1 355.482 2.589 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000364236629 512037105 /nfs/dbraw/zinc/03/71/05/512037105.db2.gz MDGIQPRSPNSHOX-UHFFFAOYSA-N 0 1 356.806 2.725 20 10 FFCDMN O=C(C[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370809914 513107180 /nfs/dbraw/zinc/10/71/80/513107180.db2.gz KVCVNYCZUFBQNT-XJKSGUPXSA-N 0 1 352.862 2.553 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC000618926293 521299569 /nfs/dbraw/zinc/29/95/69/521299569.db2.gz WRAMWBSQHYEMKE-QFBILLFUSA-N 0 1 369.509 2.780 20 10 FFCDMN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c([O-])cccc3Cl)C2)c1Cl ZINC000898363898 735346139 /nfs/dbraw/zinc/34/61/39/735346139.db2.gz FSZCGXXBXRGYKQ-SECBINFHSA-N 0 1 355.225 2.563 20 10 FFCDMN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)c1Cl ZINC000898365309 735346811 /nfs/dbraw/zinc/34/68/11/735346811.db2.gz ZDAXTOOOIAOWTG-LLVKDONJSA-N 0 1 355.225 2.563 20 10 FFCDMN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)CCO2 ZINC000070828650 728205945 /nfs/dbraw/zinc/20/59/45/728205945.db2.gz ZULZUYIICCYRFC-UHFFFAOYSA-N 0 1 359.432 2.941 20 10 FFCDMN COc1cc(Br)cc(CN(CCO)Cc2cccnc2)c1O ZINC000093085730 728473971 /nfs/dbraw/zinc/47/39/71/728473971.db2.gz PLFRCSIUAIYFRC-UHFFFAOYSA-N 0 1 367.243 2.553 20 10 FFCDMN CC(C)OCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134268960 728729415 /nfs/dbraw/zinc/72/94/15/728729415.db2.gz XHLHRDQGCGJMRA-MRXNPFEDSA-N 0 1 354.878 2.941 20 10 FFCDMN CC[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000171751365 729011891 /nfs/dbraw/zinc/01/18/91/729011891.db2.gz VRZKPDHENBVJNO-HNNXBMFYSA-N 0 1 350.482 2.908 20 10 FFCDMN CCN(CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-])S(C)(=O)=O ZINC000194187736 729502231 /nfs/dbraw/zinc/50/22/31/729502231.db2.gz ZGTUNBGJLFLYNP-CQSZACIVSA-N 0 1 350.484 2.868 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@]12CCCO2 ZINC000759170318 736552709 /nfs/dbraw/zinc/55/27/09/736552709.db2.gz AUHLBVBFLLAZBH-ARFHVFGLSA-N 0 1 356.260 2.971 20 10 FFCDMN C[C@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858090636 730416304 /nfs/dbraw/zinc/41/63/04/730416304.db2.gz PHIRRFKJQIOSCB-STQMWFEESA-N 0 1 357.292 2.744 20 10 FFCDMN CCO[C@@H]1C[C@](CO)([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000858158285 730418166 /nfs/dbraw/zinc/41/81/66/730418166.db2.gz DPSUXIKRFBLZGK-GDBMZVCRSA-N 0 1 358.276 2.810 20 10 FFCDMN CC1(C)C[C@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CO1 ZINC000859161664 730443879 /nfs/dbraw/zinc/44/38/79/730443879.db2.gz QWEGVLPYTDOENM-JTQLQIEISA-N 0 1 354.255 2.686 20 10 FFCDMN CCO[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241086 730492995 /nfs/dbraw/zinc/49/29/95/730492995.db2.gz GPTPQQFYHZIAMO-AEFFLSMTSA-N 0 1 366.889 2.941 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1F ZINC000862221906 730677811 /nfs/dbraw/zinc/67/78/11/730677811.db2.gz JSOLIYLENGSBHH-CQSZACIVSA-N 0 1 351.441 2.769 20 10 FFCDMN O=C([C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862369874 730693276 /nfs/dbraw/zinc/69/32/76/730693276.db2.gz YISJXLKQVWZGFR-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862369874 730693278 /nfs/dbraw/zinc/69/32/78/730693278.db2.gz YISJXLKQVWZGFR-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862418475 730699673 /nfs/dbraw/zinc/69/96/73/730699673.db2.gz JWMDTGXYOWKKFW-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862418475 730699674 /nfs/dbraw/zinc/69/96/74/730699674.db2.gz JWMDTGXYOWKKFW-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862419046 730699719 /nfs/dbraw/zinc/69/97/19/730699719.db2.gz VBDZGTCZYKGNPI-LBPRGKRZSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862419046 730699720 /nfs/dbraw/zinc/69/97/20/730699720.db2.gz VBDZGTCZYKGNPI-LBPRGKRZSA-N 0 1 355.276 2.891 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(C(N)=O)ccc3Cl)cc2)CC1 ZINC000863986935 730819497 /nfs/dbraw/zinc/81/94/97/730819497.db2.gz LKAHUBRLTFCOOP-UHFFFAOYSA-N 0 1 358.873 2.803 20 10 FFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000866463590 731063344 /nfs/dbraw/zinc/06/33/44/731063344.db2.gz BXKMNTZIDAIAQG-FIXISWKDSA-N 0 1 350.356 2.625 20 10 FFCDMN COCCc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000876550692 732256265 /nfs/dbraw/zinc/25/62/65/732256265.db2.gz BIMRDDPIEXLHBS-UHFFFAOYSA-N 0 1 361.511 2.801 20 10 FFCDMN O=S1(=O)CCCN1c1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000876870882 732290103 /nfs/dbraw/zinc/29/01/03/732290103.db2.gz ORXDKLLWSDNCTK-UHFFFAOYSA-N 0 1 372.368 2.962 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNCc3cnc(N)nc3N)cc2Cl)C1 ZINC000877497818 732373138 /nfs/dbraw/zinc/37/31/38/732373138.db2.gz CLNOIOFSVYRMMP-GFCCVEGCSA-N 0 1 360.893 2.821 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691597 732414956 /nfs/dbraw/zinc/41/49/56/732414956.db2.gz MJHKJDPSUQCVLP-UHFFFAOYSA-N 0 1 358.276 2.502 20 10 FFCDMN CONC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000877785810 732430418 /nfs/dbraw/zinc/43/04/18/732430418.db2.gz HVDUBFLKIGJMMQ-UHFFFAOYSA-N 0 1 359.392 2.661 20 10 FFCDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799278 732435092 /nfs/dbraw/zinc/43/50/92/732435092.db2.gz LQKPGPUYBVERCZ-KBRIMQKVSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799278 732435095 /nfs/dbraw/zinc/43/50/95/732435095.db2.gz LQKPGPUYBVERCZ-KBRIMQKVSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(c1cc(C(F)F)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878781032 732592719 /nfs/dbraw/zinc/59/27/19/732592719.db2.gz SJIFEQQGYJJBKG-LBPRGKRZSA-N 0 1 351.353 2.874 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000781908234 738670921 /nfs/dbraw/zinc/67/09/21/738670921.db2.gz GPBOZRINUOPBML-CYBMUJFWSA-N 0 1 365.275 2.967 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCCc3ccsc3)cc2)CC1 ZINC000883123629 733338854 /nfs/dbraw/zinc/33/88/54/733338854.db2.gz FICGJGGKOCELSW-UHFFFAOYSA-N 0 1 358.511 2.542 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@H](C)O1 ZINC000731869065 734702055 /nfs/dbraw/zinc/70/20/55/734702055.db2.gz KALCWPXNPVYZFN-OKILXGFUSA-N 0 1 360.479 2.993 20 10 FFCDMN CCOCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894093847 734800430 /nfs/dbraw/zinc/80/04/30/734800430.db2.gz IUOLOBCYKGCUAF-ZDUSSCGKSA-N 0 1 362.239 2.921 20 10 FFCDMN CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894783574 734916014 /nfs/dbraw/zinc/91/60/14/734916014.db2.gz VYGSIBVEAMILAS-GFCCVEGCSA-N 0 1 350.228 2.512 20 10 FFCDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000749972294 735764432 /nfs/dbraw/zinc/76/44/32/735764432.db2.gz NBMDRKRSTOJUNB-ZDUSSCGKSA-N 0 1 350.415 2.562 20 10 FFCDMN O=S1(=O)C[C@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@H]2C1 ZINC000902615109 735969962 /nfs/dbraw/zinc/96/99/62/735969962.db2.gz BGXFJRGBZGGULM-OKILXGFUSA-N 0 1 357.431 2.768 20 10 FFCDMN O=S1(=O)C[C@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@H]2C1 ZINC000902615109 735969965 /nfs/dbraw/zinc/96/99/65/735969965.db2.gz BGXFJRGBZGGULM-OKILXGFUSA-N 0 1 357.431 2.768 20 10 FFCDMN COc1cccc(O)c1CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000758523522 736497200 /nfs/dbraw/zinc/49/72/00/736497200.db2.gz WDJOWFOEXOOHIQ-UHFFFAOYSA-N 0 1 355.843 2.748 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000759998844 736609420 /nfs/dbraw/zinc/60/94/20/736609420.db2.gz JGTDBTNGYUXHHQ-UHFFFAOYSA-N 0 1 352.862 2.986 20 10 FFCDMN CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764792057 737050065 /nfs/dbraw/zinc/05/00/65/737050065.db2.gz SRNFACAXQWYPOD-GFCCVEGCSA-N 0 1 370.291 2.684 20 10 FFCDMN CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764792057 737050069 /nfs/dbraw/zinc/05/00/69/737050069.db2.gz SRNFACAXQWYPOD-GFCCVEGCSA-N 0 1 370.291 2.684 20 10 FFCDMN C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C[NH+](C)C ZINC000764798862 737050384 /nfs/dbraw/zinc/05/03/84/737050384.db2.gz WLZFKXWQZGNHNY-LLVKDONJSA-N 0 1 372.307 2.930 20 10 FFCDMN CC(C)(C)C(=O)NCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805075315 740935366 /nfs/dbraw/zinc/93/53/66/740935366.db2.gz VSUHVBWJBJPJMQ-UHFFFAOYSA-N 0 1 362.257 2.661 20 10 FFCDMN COC[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771055397 737689810 /nfs/dbraw/zinc/68/98/10/737689810.db2.gz CBKSOGDMISARFF-BBRMVZONSA-N 0 1 354.878 2.799 20 10 FFCDMN CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000775499662 738097198 /nfs/dbraw/zinc/09/71/98/738097198.db2.gz SWPZPRNTFPAYKK-WFASDCNBSA-N 0 1 357.292 2.916 20 10 FFCDMN CC(C)(C)NC(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000775983811 738149515 /nfs/dbraw/zinc/14/95/15/738149515.db2.gz MWUPUCWGSBIXCR-UHFFFAOYSA-N 0 1 370.291 2.780 20 10 FFCDMN COc1cc(Br)cc(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777221073 738273191 /nfs/dbraw/zinc/27/31/91/738273191.db2.gz YUOWUFZJVVDALV-SNVBAGLBSA-N 0 1 373.291 2.898 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929755588 739018870 /nfs/dbraw/zinc/01/88/70/739018870.db2.gz PWIYRFYUYVSYPT-DUVNUKRYSA-N 0 1 356.260 2.781 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929755588 739018873 /nfs/dbraw/zinc/01/88/73/739018873.db2.gz PWIYRFYUYVSYPT-DUVNUKRYSA-N 0 1 356.260 2.781 20 10 FFCDMN COCCN(Cc1scnc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000787304198 739125024 /nfs/dbraw/zinc/12/50/24/739125024.db2.gz RSCMVZLPINDONW-UHFFFAOYSA-N 0 1 361.511 2.937 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1[O-] ZINC000932093521 739385316 /nfs/dbraw/zinc/38/53/16/739385316.db2.gz LRTQMLFDECNAAT-GOSISDBHSA-N 0 1 366.845 2.959 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000790409706 739449250 /nfs/dbraw/zinc/44/92/50/739449250.db2.gz VDAOXIBBGVIUFH-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccc(OC)c(O)c1 ZINC000792181901 739648228 /nfs/dbraw/zinc/64/82/28/739648228.db2.gz VYSKCUPXKVXPIF-OAHLLOKOSA-N 0 1 351.786 2.764 20 10 FFCDMN O=C(C[C@H]1CCCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000793689154 739804920 /nfs/dbraw/zinc/80/49/20/739804920.db2.gz KMPGBVVFYADGNC-PBHICJAKSA-N 0 1 366.889 2.943 20 10 FFCDMN C[C@@H](c1ccccc1)N(CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000795969850 740086141 /nfs/dbraw/zinc/08/61/41/740086141.db2.gz RCKBDQNGXHPBTG-INIZCTEOSA-N 0 1 362.495 2.847 20 10 FFCDMN C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000797070261 740209309 /nfs/dbraw/zinc/20/93/09/740209309.db2.gz KAHNSIWKTLWNPK-ZJUUUORDSA-N 0 1 362.289 2.771 20 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CCC[C@@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1nn[nH]n1 ZINC000829802116 1033345915 /nfs/dbraw/zinc/34/59/15/1033345915.db2.gz XTSOMHUSLSYOBU-QGZVFWFLSA-N 0 1 352.442 2.807 20 10 FFCDMN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccc(F)c4[O-])CC[N@@H+]3C2)n1 ZINC001138125294 1033802687 /nfs/dbraw/zinc/80/26/87/1033802687.db2.gz NHHWBAURBCQRCN-RBUKOAKNSA-N 0 1 371.456 2.710 20 10 FFCDMN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccc(F)c4[O-])CC[N@H+]3C2)n1 ZINC001138125294 1033802705 /nfs/dbraw/zinc/80/27/05/1033802705.db2.gz NHHWBAURBCQRCN-RBUKOAKNSA-N 0 1 371.456 2.710 20 10 FFCDMN O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138127270 1033809469 /nfs/dbraw/zinc/80/94/69/1033809469.db2.gz VJPSNMGVMZLSKL-NRFANRHFSA-N 0 1 369.440 2.941 20 10 FFCDMN CCOC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2cnn(C)c21 ZINC001138357328 1034195343 /nfs/dbraw/zinc/19/53/43/1034195343.db2.gz QVAVYZHUHLGABM-IBGZPJMESA-N 0 1 354.498 2.938 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CCC[C@H]43)cc2F)CC1 ZINC001226823462 1034853836 /nfs/dbraw/zinc/85/38/36/1034853836.db2.gz CMTBCKVYJCWNPW-ZHALLVOQSA-N 0 1 374.504 2.955 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001139126803 1034956473 /nfs/dbraw/zinc/95/64/73/1034956473.db2.gz QNYHRPWMYFJFGJ-UHFFFAOYSA-N 0 1 362.426 2.764 20 10 FFCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCOC[C@H]1c1cccnc1 ZINC001139133709 1034961963 /nfs/dbraw/zinc/96/19/63/1034961963.db2.gz MMGSVLZDHHJDBP-KRWDZBQOSA-N 0 1 352.390 2.776 20 10 FFCDMN CCCCN(O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001221805450 1035082242 /nfs/dbraw/zinc/08/22/42/1035082242.db2.gz WKGVOCQHDGJAIB-UHFFFAOYSA-N 0 1 352.454 2.669 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140101969 1035342212 /nfs/dbraw/zinc/34/22/12/1035342212.db2.gz GBUWBWBCSJLMGF-LLVKDONJSA-N 0 1 350.216 2.598 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140101969 1035342215 /nfs/dbraw/zinc/34/22/15/1035342215.db2.gz GBUWBWBCSJLMGF-LLVKDONJSA-N 0 1 350.216 2.598 20 10 FFCDMN CN1CC2(CC1=O)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140103315 1035342849 /nfs/dbraw/zinc/34/28/49/1035342849.db2.gz JMESMUUILNICAL-UHFFFAOYSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC1 ZINC001140285943 1035418904 /nfs/dbraw/zinc/41/89/04/1035418904.db2.gz GCLASDVJQZHFJW-NRFANRHFSA-N 0 1 371.525 2.625 20 10 FFCDMN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4c(O)cccc4Cl)C[C@@H]32)N=C1C ZINC001140339264 1035443494 /nfs/dbraw/zinc/44/34/94/1035443494.db2.gz HCCPFDCISTXQGQ-FRIZHTMISA-N 0 1 361.873 2.907 20 10 FFCDMN CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c([O-])cccc4Cl)C[C@@H]32)N=C1C ZINC001140339264 1035443496 /nfs/dbraw/zinc/44/34/96/1035443496.db2.gz HCCPFDCISTXQGQ-FRIZHTMISA-N 0 1 361.873 2.907 20 10 FFCDMN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4c([O-])cccc4Cl)C[C@@H]32)N=C1C ZINC001140339264 1035443498 /nfs/dbraw/zinc/44/34/98/1035443498.db2.gz HCCPFDCISTXQGQ-FRIZHTMISA-N 0 1 361.873 2.907 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001140338380 1035443782 /nfs/dbraw/zinc/44/37/82/1035443782.db2.gz HKKFFJDFOWVKDK-KVSKMBFKSA-N 0 1 360.841 2.857 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001140338380 1035443786 /nfs/dbraw/zinc/44/37/86/1035443786.db2.gz HKKFFJDFOWVKDK-KVSKMBFKSA-N 0 1 360.841 2.857 20 10 FFCDMN Oc1cccc(Cl)c1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001140338380 1035443791 /nfs/dbraw/zinc/44/37/91/1035443791.db2.gz HKKFFJDFOWVKDK-KVSKMBFKSA-N 0 1 360.841 2.857 20 10 FFCDMN Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4c(O)cccc4Cl)C3)C2=O)cn1 ZINC001140344196 1035446032 /nfs/dbraw/zinc/44/60/32/1035446032.db2.gz FVGCSXSYUCHODU-LJQANCHMSA-N 0 1 374.872 2.798 20 10 FFCDMN Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4c([O-])cccc4Cl)C3)C2=O)cn1 ZINC001140344196 1035446034 /nfs/dbraw/zinc/44/60/34/1035446034.db2.gz FVGCSXSYUCHODU-LJQANCHMSA-N 0 1 374.872 2.798 20 10 FFCDMN Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4c([O-])cccc4Cl)C3)C2=O)cn1 ZINC001140344196 1035446036 /nfs/dbraw/zinc/44/60/36/1035446036.db2.gz FVGCSXSYUCHODU-LJQANCHMSA-N 0 1 374.872 2.798 20 10 FFCDMN Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4[O-])C[C@H]3C2)cn1 ZINC001140465178 1035485498 /nfs/dbraw/zinc/48/54/98/1035485498.db2.gz KFZWTMXKGHMLBK-NVXWUHKLSA-N 0 1 360.889 2.733 20 10 FFCDMN Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4[O-])C[C@H]3C2)cn1 ZINC001140465178 1035485500 /nfs/dbraw/zinc/48/55/00/1035485500.db2.gz KFZWTMXKGHMLBK-NVXWUHKLSA-N 0 1 360.889 2.733 20 10 FFCDMN COC(=O)[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC12CC2 ZINC001232200860 1035496528 /nfs/dbraw/zinc/49/65/28/1035496528.db2.gz AVBSEHSSMDLWGH-OAHLLOKOSA-N 0 1 364.873 2.562 20 10 FFCDMN Clc1cc(CN2CC[C@@H](Oc3cnccn3)C2)ccc1N1CCOCC1 ZINC001232199509 1035496633 /nfs/dbraw/zinc/49/66/33/1035496633.db2.gz AVHLJQWXQHONRZ-MRXNPFEDSA-N 0 1 374.872 2.620 20 10 FFCDMN CCC1=NC2(CC[NH+](Cc3cc(Cl)c(OC)cc3[O-])CC2)C(=O)N1C ZINC001232270574 1035540045 /nfs/dbraw/zinc/54/00/45/1035540045.db2.gz FWFYBQIJSGMCKE-UHFFFAOYSA-N 0 1 365.861 2.669 20 10 FFCDMN COc1ccc(N2CCN(Cc3ccc4c(c3)ncn4C)CC2)c(OC)c1 ZINC001140512270 1035542814 /nfs/dbraw/zinc/54/28/14/1035542814.db2.gz WEIHIUGDMQGPCQ-UHFFFAOYSA-N 0 1 366.465 2.913 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)C1=O ZINC001277211932 1035569713 /nfs/dbraw/zinc/56/97/13/1035569713.db2.gz CGRJABUCPKRZIY-YJYMSZOUSA-N 0 1 364.873 2.756 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)C1=O ZINC001277211932 1035569720 /nfs/dbraw/zinc/56/97/20/1035569720.db2.gz CGRJABUCPKRZIY-YJYMSZOUSA-N 0 1 364.873 2.756 20 10 FFCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCOC[C@@H]2C)c1O ZINC001227494966 1035582405 /nfs/dbraw/zinc/58/24/05/1035582405.db2.gz KDKKFILMRMXMAG-UWVGGRQHSA-N 0 1 358.412 2.611 20 10 FFCDMN COC(=O)c1c(CN2CC[C@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001232405188 1035653843 /nfs/dbraw/zinc/65/38/43/1035653843.db2.gz HXFDGOSAKZKSJK-GOSISDBHSA-N 0 1 364.392 2.965 20 10 FFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140580743 1035661765 /nfs/dbraw/zinc/66/17/65/1035661765.db2.gz JLHQADVXWSKURY-UHFFFAOYSA-N 0 1 359.380 2.518 20 10 FFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140580743 1035661774 /nfs/dbraw/zinc/66/17/74/1035661774.db2.gz JLHQADVXWSKURY-UHFFFAOYSA-N 0 1 359.380 2.518 20 10 FFCDMN CC(C)CN1C[C@@]2(F)CN(Cc3cccc(Cl)c3O)C[C@@]2(F)C1=O ZINC001277232090 1035675506 /nfs/dbraw/zinc/67/55/06/1035675506.db2.gz KGGMKLJUCBIRIP-DLBZAZTESA-N 0 1 358.816 2.776 20 10 FFCDMN Cc1ccc(O)c(CN2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1 ZINC001140623561 1035751735 /nfs/dbraw/zinc/75/17/35/1035751735.db2.gz VGJLPKKFRCTZRE-AZUAARDMSA-N 0 1 364.445 2.850 20 10 FFCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3COC[C@@H]3C)c1C2=O ZINC001227993878 1035860133 /nfs/dbraw/zinc/86/01/33/1035860133.db2.gz GVZHHQHDHFLQNN-QFYYESIMSA-N 0 1 354.358 2.595 20 10 FFCDMN C[C@H]1COCC[C@@H]1Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228521335 1036157425 /nfs/dbraw/zinc/15/74/25/1036157425.db2.gz ICKATYMQIXHYRB-QFYYESIMSA-N 0 1 360.362 2.544 20 10 FFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2[O-])[C@H]1CO ZINC001232973896 1036203612 /nfs/dbraw/zinc/20/36/12/1036203612.db2.gz DKXUAQPHBLCDKS-MFKMUULPSA-N 0 1 361.223 2.590 20 10 FFCDMN C[C@@H]1CCCN(Cc2ccc(I)cc2O)[C@H]1CO ZINC001232973896 1036203577 /nfs/dbraw/zinc/20/35/77/1036203577.db2.gz DKXUAQPHBLCDKS-MFKMUULPSA-N 0 1 361.223 2.590 20 10 FFCDMN C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2[O-])[C@H]1CO ZINC001232973896 1036203592 /nfs/dbraw/zinc/20/35/92/1036203592.db2.gz DKXUAQPHBLCDKS-MFKMUULPSA-N 0 1 361.223 2.590 20 10 FFCDMN C[C@H]1CC[N@H+](Cc2ccc(I)cc2[O-])CC[C@H]1O ZINC001232974832 1036204778 /nfs/dbraw/zinc/20/47/78/1036204778.db2.gz SDCKWWYPXFXAAY-GXFFZTMASA-N 0 1 361.223 2.590 20 10 FFCDMN C[C@H]1CC[N@@H+](Cc2ccc(I)cc2[O-])CC[C@H]1O ZINC001232974832 1036204791 /nfs/dbraw/zinc/20/47/91/1036204791.db2.gz SDCKWWYPXFXAAY-GXFFZTMASA-N 0 1 361.223 2.590 20 10 FFCDMN Oc1cc(I)ccc1CN1CC[C@@]2(CCCO2)C1 ZINC001232975594 1036206825 /nfs/dbraw/zinc/20/68/25/1036206825.db2.gz HHFWKUSVMFCMNW-AWEZNQCLSA-N 0 1 359.207 2.752 20 10 FFCDMN Cc1ncc(CN(C)Cc2ccc(I)cc2O)cn1 ZINC001232979639 1036212136 /nfs/dbraw/zinc/21/21/36/1036212136.db2.gz HSPVDYHCFCQWGW-UHFFFAOYSA-N 0 1 369.206 2.727 20 10 FFCDMN CCC(=O)NC1CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233031929 1036271469 /nfs/dbraw/zinc/27/14/69/1036271469.db2.gz PMRLXPKNLNCWKX-UHFFFAOYSA-N 0 1 359.239 2.784 20 10 FFCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233033352 1036275476 /nfs/dbraw/zinc/27/54/76/1036275476.db2.gz LWQVAYPOIGGLHI-NSHDSACASA-N 0 1 368.206 2.737 20 10 FFCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233033352 1036275491 /nfs/dbraw/zinc/27/54/91/1036275491.db2.gz LWQVAYPOIGGLHI-NSHDSACASA-N 0 1 368.206 2.737 20 10 FFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1Br ZINC001233135359 1036385176 /nfs/dbraw/zinc/38/51/76/1036385176.db2.gz QWOGCQQOTXDUAR-HNNXBMFYSA-N 0 1 362.239 2.850 20 10 FFCDMN 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CC(C)(C[NH2+]Cc1c([O-])cccc1Br)[C@@]1(O)CCCOC1 ZINC000858195488 730419375 /nfs/dbraw/zinc/41/93/75/730419375.db2.gz YHRSBXDMKNNLFN-MRXNPFEDSA-N 0 1 358.276 2.812 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000858498641 730427337 /nfs/dbraw/zinc/42/73/37/730427337.db2.gz SSRPMVQEEYKXDQ-RBSFLKMASA-N 0 1 360.907 2.947 20 10 FFCDMN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253059 730682691 /nfs/dbraw/zinc/68/26/91/730682691.db2.gz KPYHHMLHQAEWJS-FZMZJTMJSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253059 730682693 /nfs/dbraw/zinc/68/26/93/730682693.db2.gz KPYHHMLHQAEWJS-FZMZJTMJSA-N 0 1 353.260 2.645 20 10 FFCDMN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753229 731826857 /nfs/dbraw/zinc/82/68/57/731826857.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N 0 1 353.344 2.583 20 10 FFCDMN Cc1cc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)nn1C ZINC000926379451 738605904 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C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894632175 734892149 /nfs/dbraw/zinc/89/21/49/734892149.db2.gz XAKLHTWAOHSMEF-BMIGLBTASA-N 0 1 360.223 2.674 20 10 FFCDMN COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894930720 734938917 /nfs/dbraw/zinc/93/89/17/734938917.db2.gz VOZZQXOURFDTFT-CQSZACIVSA-N 0 1 364.667 2.639 20 10 FFCDMN CCOC(=O)[C@@H](C)C1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000895476456 735012168 /nfs/dbraw/zinc/01/21/68/735012168.db2.gz IQAZPKAWWHCXOO-VIFPVBQESA-N 0 1 360.223 2.925 20 10 FFCDMN O=C1CC2(CCC2)[N@@H+](Cc2cc(Br)cc(F)c2[O-])CCN1 ZINC000895926797 735074546 /nfs/dbraw/zinc/07/45/46/735074546.db2.gz GPYMXXHOJUOTGY-UHFFFAOYSA-N 0 1 357.223 2.538 20 10 FFCDMN COC(=O)C[C@H]1CSCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000740856128 735092301 /nfs/dbraw/zinc/09/23/01/735092301.db2.gz NQPZBJZXTCACER-AWEZNQCLSA-N 0 1 353.484 2.876 20 10 FFCDMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000755527649 736259458 /nfs/dbraw/zinc/25/94/58/736259458.db2.gz 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O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@]12CCOC2 ZINC000764257466 737005896 /nfs/dbraw/zinc/00/58/96/737005896.db2.gz HLANPHFHQJCBDO-GPMSIDNRSA-N 0 1 364.873 2.553 20 10 FFCDMN CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765175987 737091334 /nfs/dbraw/zinc/09/13/34/737091334.db2.gz HBELRXTVZOYKDB-ZBFHGGJFSA-N 0 1 354.878 2.533 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765445419 737119625 /nfs/dbraw/zinc/11/96/25/737119625.db2.gz SMEKFEYVNLRPDE-CHWSQXEVSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000765445419 737119627 /nfs/dbraw/zinc/11/96/27/737119627.db2.gz SMEKFEYVNLRPDE-CHWSQXEVSA-N 0 1 368.275 2.581 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000766051079 737186828 /nfs/dbraw/zinc/18/68/28/737186828.db2.gz SIHXHQJPOSXJED-UHFFFAOYSA-N 0 1 368.342 2.751 20 10 FFCDMN COCCOCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805034870 740929052 /nfs/dbraw/zinc/92/90/52/740929052.db2.gz XDWFVCDWWQUHJR-UHFFFAOYSA-N 0 1 365.257 2.941 20 10 FFCDMN CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054982 737689766 /nfs/dbraw/zinc/68/97/66/737689766.db2.gz ASGXYEDUFBCOGD-HLLBOEOZSA-N 0 1 352.862 2.551 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1=CCCCO1 ZINC000771060033 737690458 /nfs/dbraw/zinc/69/04/58/737690458.db2.gz SLDNYXYBXFCKEZ-HNNXBMFYSA-N 0 1 350.846 2.821 20 10 FFCDMN CO[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416589 737724751 /nfs/dbraw/zinc/72/47/51/737724751.db2.gz IIIFDQKQMPPGAL-NVXWUHKLSA-N 0 1 354.878 2.797 20 10 FFCDMN CC(C)N1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004156 737862933 /nfs/dbraw/zinc/86/29/33/737862933.db2.gz GLOJEWAXXBZBTQ-LSDHHAIUSA-N 0 1 365.905 2.837 20 10 FFCDMN CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775501191 738097771 /nfs/dbraw/zinc/09/77/71/738097771.db2.gz CMRFRLSYHWZJNJ-IUODEOHRSA-N 0 1 357.292 2.916 20 10 FFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775644978 738108770 /nfs/dbraw/zinc/10/87/70/738108770.db2.gz YZJQSHVLPQAEMK-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000790408640 739449396 /nfs/dbraw/zinc/44/93/96/739449396.db2.gz CMNWQMMWCPOHPA-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000790409914 739449906 /nfs/dbraw/zinc/44/99/06/739449906.db2.gz WPHKWWNPHOOAJI-UHFFFAOYSA-N 0 1 350.396 2.550 20 10 FFCDMN COC(=O)c1ccc(Cl)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000794934413 739944543 /nfs/dbraw/zinc/94/45/43/739944543.db2.gz KHFGDBPBMPCRGY-UVTDQMKNSA-N 0 1 356.765 2.588 20 10 FFCDMN COc1cc(Br)cc(CN[C@H](c2nncn2C)C(C)C)c1O ZINC000796454794 740144370 /nfs/dbraw/zinc/14/43/70/740144370.db2.gz ROWQFQTXFLPIAS-ZDUSSCGKSA-N 0 1 369.263 2.779 20 10 FFCDMN COc1cc(C)cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1O ZINC000799140245 740391312 /nfs/dbraw/zinc/39/13/12/740391312.db2.gz DBSHEPBDZSLNCK-UHFFFAOYSA-N 0 1 360.376 2.600 20 10 FFCDMN CCOCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000799697357 740442032 /nfs/dbraw/zinc/44/20/32/740442032.db2.gz DJDUOWCRWSTHOR-INIZCTEOSA-N 0 1 366.889 2.943 20 10 FFCDMN Cn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)nc1Cl ZINC000805135685 740944111 /nfs/dbraw/zinc/94/41/11/740944111.db2.gz QHRMIFIVOHZBOV-UHFFFAOYSA-N 0 1 370.645 2.564 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(-n2cncn2)c1 ZINC000807835900 741162966 /nfs/dbraw/zinc/16/29/66/741162966.db2.gz MDQUVYMUTAWRJR-UHFFFAOYSA-N 0 1 364.192 2.605 20 10 FFCDMN CCN(CC)c1ccc(CN[C@@H](CCSC)C(=O)N(C)C)cc1F ZINC000808439158 741225868 /nfs/dbraw/zinc/22/58/68/741225868.db2.gz YMZYIDRDQRAWBK-INIZCTEOSA-N 0 1 355.523 2.971 20 10 FFCDMN Nc1nccc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000809665178 741330070 /nfs/dbraw/zinc/33/00/70/741330070.db2.gz PWMYRAPIRSQPEF-NSHDSACASA-N 0 1 363.259 2.907 20 10 FFCDMN CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226752 741399774 /nfs/dbraw/zinc/39/97/74/741399774.db2.gz KNKWTZQVTOGCRY-ZDUSSCGKSA-N 0 1 369.405 2.513 20 10 FFCDMN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCN(C)CC1 ZINC000815575831 741946207 /nfs/dbraw/zinc/94/62/07/741946207.db2.gz BKPPSIZYEYNUQT-KGLIPLIRSA-N 0 1 359.436 2.945 20 10 FFCDMN CCCS(=O)(=O)NC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816484505 742033106 /nfs/dbraw/zinc/03/31/06/742033106.db2.gz FANLFBBAXSUVSD-UHFFFAOYSA-N 0 1 362.495 2.839 20 10 FFCDMN O=C1NCCN(Cc2cc(Cl)c(F)cc2O)[C@H]1c1ccccc1F ZINC000816568026 742042891 /nfs/dbraw/zinc/04/28/91/742042891.db2.gz UMSGUGTYWABWQQ-INIZCTEOSA-N 0 1 352.768 2.997 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606370 743115398 /nfs/dbraw/zinc/11/53/98/743115398.db2.gz QKUSJXAWPIINLZ-KGLIPLIRSA-N 0 1 354.878 2.717 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606370 743115400 /nfs/dbraw/zinc/11/54/00/743115400.db2.gz QKUSJXAWPIINLZ-KGLIPLIRSA-N 0 1 354.878 2.717 20 10 FFCDMN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824677165 743127153 /nfs/dbraw/zinc/12/71/53/743127153.db2.gz AKWXIELFUCCMRW-YPMHNXCESA-N 0 1 368.421 2.780 20 10 FFCDMN COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825283355 743240631 /nfs/dbraw/zinc/24/06/31/743240631.db2.gz KHGGOOIFQAKKHF-AWEZNQCLSA-N 0 1 352.228 2.987 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000826024190 743357515 /nfs/dbraw/zinc/35/75/15/743357515.db2.gz VFXKMDBWNWBTLH-CVEARBPZSA-N 0 1 356.260 2.564 20 10 FFCDMN CO[C@@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000827619128 744949594 /nfs/dbraw/zinc/94/95/94/744949594.db2.gz XPTSNHYAPHLVFA-LBPRGKRZSA-N 0 1 354.255 2.543 20 10 FFCDMN O=C(CCc1ccon1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544729 745378027 /nfs/dbraw/zinc/37/80/27/745378027.db2.gz TUAVWVQWGKQAHC-MRXNPFEDSA-N 0 1 363.845 2.747 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1[O-] ZINC000834850008 745914027 /nfs/dbraw/zinc/91/40/27/745914027.db2.gz IJLCYPHHQPZEBN-GXTWGEPZSA-N 0 1 357.292 2.652 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(Br)cc1[O-] ZINC000834850958 745914113 /nfs/dbraw/zinc/91/41/13/745914113.db2.gz RHUHWVIEJGWHGE-GXTWGEPZSA-N 0 1 357.292 2.652 20 10 FFCDMN CN(C)c1ccc(/C=C\CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028934 745933260 /nfs/dbraw/zinc/93/32/60/745933260.db2.gz NWCLPUMLIQOWFM-AWFCHZOYSA-N 0 1 355.404 2.861 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nc2n(n1)CCCC2 ZINC000836773621 746303280 /nfs/dbraw/zinc/30/32/80/746303280.db2.gz CDSQNARIWLMRCY-UHFFFAOYSA-N 0 1 356.213 2.949 20 10 FFCDMN COc1cc(Br)cc(CNCc2n[nH]c(C(C)(C)C)n2)c1O ZINC000839171122 746792848 /nfs/dbraw/zinc/79/28/48/746792848.db2.gz VOVQZJPWRISANL-UHFFFAOYSA-N 0 1 369.263 2.869 20 10 FFCDMN CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000840761005 747175491 /nfs/dbraw/zinc/17/54/91/747175491.db2.gz NBZLOCIMRZYBHV-QGZVFWFLSA-N 0 1 350.413 2.776 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 ZINC000840876933 747209245 /nfs/dbraw/zinc/20/92/45/747209245.db2.gz UJLMIAYSJFGKGK-UHFFFAOYSA-N 0 1 368.886 2.894 20 10 FFCDMN C[NH+](C)C[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccc(Cl)cc1 ZINC000846656697 748520492 /nfs/dbraw/zinc/52/04/92/748520492.db2.gz NUHCWUFRJBHOSH-GFCCVEGCSA-N 0 1 366.820 2.966 20 10 FFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000848640099 748974831 /nfs/dbraw/zinc/97/48/31/748974831.db2.gz NHICDNAMZCESMK-CQSZACIVSA-N 0 1 365.227 2.644 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837178 1013064115 /nfs/dbraw/zinc/06/41/15/1013064115.db2.gz LZRACWRLYPFSKO-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001275837178 1013064131 /nfs/dbraw/zinc/06/41/31/1013064131.db2.gz LZRACWRLYPFSKO-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001275837178 1013064147 /nfs/dbraw/zinc/06/41/47/1013064147.db2.gz LZRACWRLYPFSKO-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@@]2(CCCN2Cc2c(O)cccc2Cl)C1=O ZINC001275837178 1013064165 /nfs/dbraw/zinc/06/41/65/1013064165.db2.gz LZRACWRLYPFSKO-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN COc1ccc(N2CCN(C[C@H](O)CSCc3ccccn3)CC2)cc1 ZINC000871984560 1013125588 /nfs/dbraw/zinc/12/55/88/1013125588.db2.gz XVEULIAYOVTXNS-IBGZPJMESA-N 0 1 373.522 2.507 20 10 FFCDMN CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275894512 1013157398 /nfs/dbraw/zinc/15/73/98/1013157398.db2.gz SZZVQVKZTPYNJD-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN CCOCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275894512 1013157404 /nfs/dbraw/zinc/15/74/04/1013157404.db2.gz SZZVQVKZTPYNJD-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN CC[C@@H](C)N(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000120809807 960254069 /nfs/dbraw/zinc/25/40/69/960254069.db2.gz XIKKLDFJGQRAEI-QGZVFWFLSA-N 0 1 362.518 2.647 20 10 FFCDMN Cc1cc(CN2CCC[C@]23CCN(CC(F)F)C3=O)ccc1N(C)C ZINC001275952674 1013222305 /nfs/dbraw/zinc/22/23/05/1013222305.db2.gz ZMTZZJMSXAZCTE-LJQANCHMSA-N 0 1 351.441 2.893 20 10 FFCDMN Cc1cc2nc(C)nc(NCc3ccc(N4CCN(C)CC4)cc3)c2[nH]1 ZINC001167426194 963025989 /nfs/dbraw/zinc/02/59/89/963025989.db2.gz AYZAENDRVFRAIO-UHFFFAOYSA-N 0 1 350.470 2.939 20 10 FFCDMN COc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891443617 964114261 /nfs/dbraw/zinc/11/42/61/964114261.db2.gz JUCOANUCRODJHH-UHFFFAOYSA-N 0 1 358.438 2.740 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3nc(C4CC4)cs3)cc2)CC1 ZINC001176084588 1013618390 /nfs/dbraw/zinc/61/83/90/1013618390.db2.gz YOENSIHBSFFVMS-UHFFFAOYSA-N 0 1 356.495 2.702 20 10 FFCDMN C[C@@H](c1ccccc1)N(CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000176680514 966599895 /nfs/dbraw/zinc/59/98/95/966599895.db2.gz SWEGPMLSFGZBIG-HNNXBMFYSA-N 0 1 367.449 2.944 20 10 FFCDMN COC(=O)CCNC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176689771 966656394 /nfs/dbraw/zinc/65/63/94/966656394.db2.gz LPXQMPLRHOUEIV-MRXNPFEDSA-N 0 1 370.449 2.635 20 10 FFCDMN COC(=O)CCNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176689771 966656399 /nfs/dbraw/zinc/65/63/99/966656399.db2.gz LPXQMPLRHOUEIV-MRXNPFEDSA-N 0 1 370.449 2.635 20 10 FFCDMN COc1cc(O)c(CN(C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC000894959506 967121530 /nfs/dbraw/zinc/12/15/30/967121530.db2.gz JEYZEJJKPFETOV-GOSISDBHSA-N 0 1 354.410 2.749 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCC[C@H]3C)CC2)cc1 ZINC000729507069 967450222 /nfs/dbraw/zinc/45/02/22/967450222.db2.gz DJICTNJGHMKHRM-XLIONFOSSA-N 0 1 374.529 2.695 20 10 FFCDMN COCCN1[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000178971114 967480098 /nfs/dbraw/zinc/48/00/98/967480098.db2.gz FRDIQHUQKVKUGG-HDICACEKSA-N 0 1 374.529 2.537 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ccnc(COC)n3)cc2F)CC1 ZINC000892401504 968275931 /nfs/dbraw/zinc/27/59/31/968275931.db2.gz FCUPHKDRAAJNQR-UHFFFAOYSA-N 0 1 359.449 2.516 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000178471945 975029563 /nfs/dbraw/zinc/02/95/63/975029563.db2.gz VIBCNLMOKNADQV-ROUUACIJSA-N 0 1 374.529 2.647 20 10 FFCDMN COc1cc(NC(=O)CN(C)Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC000894089025 977658225 /nfs/dbraw/zinc/65/82/25/977658225.db2.gz OMHPNBOXVPOBFM-UHFFFAOYSA-N 0 1 366.364 2.758 20 10 FFCDMN COCCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccnc1 ZINC000877525537 1014613196 /nfs/dbraw/zinc/61/31/96/1014613196.db2.gz GSXNXNPSLZNYPY-UHFFFAOYSA-N 0 1 355.482 2.691 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN(C)C2Cc3ccccc3C2)cc1 ZINC000138440229 981918453 /nfs/dbraw/zinc/91/84/53/981918453.db2.gz XWBYEZHXOXWSRJ-UHFFFAOYSA-N 0 1 351.494 2.810 20 10 FFCDMN CCOCc1cc(CN[C@H]2CCCn3nc(C(=O)OC)cc32)ccc1OC ZINC000897985645 982583042 /nfs/dbraw/zinc/58/30/42/982583042.db2.gz PDICYAIYKBCCSR-INIZCTEOSA-N 0 1 373.453 2.840 20 10 FFCDMN COc1cc(CN2CCN(c3cnn(C)c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164439364 984368441 /nfs/dbraw/zinc/36/84/41/984368441.db2.gz GKZHFRAFUSSQHL-UHFFFAOYSA-N 0 1 358.486 2.754 20 10 FFCDMN CCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157060180 984453578 /nfs/dbraw/zinc/45/35/78/984453578.db2.gz WNZOEKOYKBXFNA-OAHLLOKOSA-N 0 1 367.449 2.978 20 10 FFCDMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000045539408 984457105 /nfs/dbraw/zinc/45/71/05/984457105.db2.gz HOSNMGHGYCXVSI-UHFFFAOYSA-N 0 1 373.526 2.703 20 10 FFCDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)cc2nc[nH]c21 ZINC000129776741 984635331 /nfs/dbraw/zinc/63/53/31/984635331.db2.gz PFLHPKCENGOICF-UHFFFAOYSA-N 0 1 372.375 2.608 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000765679244 985278715 /nfs/dbraw/zinc/27/87/15/985278715.db2.gz QGHBZYONTSPMEY-QGZVFWFLSA-N 0 1 371.510 2.840 20 10 FFCDMN CCN1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000765669293 985281157 /nfs/dbraw/zinc/28/11/57/985281157.db2.gz KGRALFDBAJDYJO-BZSNNMDCSA-N 0 1 374.529 2.708 20 10 FFCDMN COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000172064085 985450947 /nfs/dbraw/zinc/45/09/47/985450947.db2.gz 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357.248 2.941 20 10 FFCDMN CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000153994389 728793399 /nfs/dbraw/zinc/79/33/99/728793399.db2.gz LFDCZUAKZVRMJS-LBPRGKRZSA-N 0 1 357.248 2.865 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(C)c(C)cc2O)cc1 ZINC000173453972 729047678 /nfs/dbraw/zinc/04/76/78/729047678.db2.gz IJLJLHHRVVLALV-UHFFFAOYSA-N 0 1 362.495 2.728 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C(C)C)C1=O ZINC000175285467 729092597 /nfs/dbraw/zinc/09/25/97/729092597.db2.gz CNBPPEHVQZEMQL-CQSZACIVSA-N 0 1 355.276 2.986 20 10 FFCDMN CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1[O-] ZINC000176286351 729113569 /nfs/dbraw/zinc/11/35/69/729113569.db2.gz QDCAPVYLZCHAPG-UHFFFAOYSA-N 0 1 369.219 2.782 20 10 FFCDMN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1[O-] ZINC000176286351 729113572 /nfs/dbraw/zinc/11/35/72/729113572.db2.gz QDCAPVYLZCHAPG-UHFFFAOYSA-N 0 1 369.219 2.782 20 10 FFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179343191 729184429 /nfs/dbraw/zinc/18/44/29/729184429.db2.gz ZIPHSMUMVMSHJE-CQSZACIVSA-N 0 1 367.287 2.893 20 10 FFCDMN COCCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000758503430 736495452 /nfs/dbraw/zinc/49/54/52/736495452.db2.gz VMTBBGOQSMASRQ-UHFFFAOYSA-N 0 1 363.479 2.714 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000858498642 730427300 /nfs/dbraw/zinc/42/73/00/730427300.db2.gz SSRPMVQEEYKXDQ-RRFJBIMHSA-N 0 1 360.907 2.947 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1[O-] ZINC000858565490 730428897 /nfs/dbraw/zinc/42/88/97/730428897.db2.gz QSAQYUWUJCJKLH-PBHICJAKSA-N 0 1 361.873 2.992 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000925149594 738483496 /nfs/dbraw/zinc/48/34/96/738483496.db2.gz RYHVGISOQVUCHP-DLBZAZTESA-N 0 1 363.527 2.894 20 10 FFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862222314 730677894 /nfs/dbraw/zinc/67/78/94/730677894.db2.gz VBFNPONFDZHSMC-CYBMUJFWSA-N 0 1 367.287 2.893 20 10 FFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862222314 730677897 /nfs/dbraw/zinc/67/78/97/730677897.db2.gz VBFNPONFDZHSMC-CYBMUJFWSA-N 0 1 367.287 2.893 20 10 FFCDMN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000862516624 730706127 /nfs/dbraw/zinc/70/61/27/730706127.db2.gz WDFUCZRKAKIXQT-SMDDNHRTSA-N 0 1 372.259 2.603 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000768340604 737414392 /nfs/dbraw/zinc/41/43/92/737414392.db2.gz ABJWIQALFHDUAA-GOSISDBHSA-N 0 1 367.559 2.827 20 10 FFCDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1O ZINC000879652248 732742988 /nfs/dbraw/zinc/74/29/88/732742988.db2.gz XZJLOIMMUXUKFS-ZDUSSCGKSA-N 0 1 350.440 2.621 20 10 FFCDMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc2c(cc1Cl)OCCO2 ZINC000726765013 734443364 /nfs/dbraw/zinc/44/33/64/734443364.db2.gz RPZDIYGPQJMSNQ-UHFFFAOYSA-N 0 1 369.782 2.641 20 10 FFCDMN COC(=O)c1cnc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895050390 734957605 /nfs/dbraw/zinc/95/76/05/734957605.db2.gz BXJCLWXYMBAKMO-CYBMUJFWSA-N 0 1 361.467 2.554 20 10 FFCDMN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895576467 735026357 /nfs/dbraw/zinc/02/63/57/735026357.db2.gz ZSDGUZHNXLYMKB-QGZVFWFLSA-N 0 1 358.404 2.801 20 10 FFCDMN CCO/C=C/[C@@](O)(CNCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708308 735044271 /nfs/dbraw/zinc/04/42/71/735044271.db2.gz QMCIDAODXSOQLE-MVGZEHJDSA-N 0 1 350.356 2.825 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000897173509 735201029 /nfs/dbraw/zinc/20/10/29/735201029.db2.gz VUDVQEGIPQLLPP-AWEZNQCLSA-N 0 1 370.833 2.707 20 10 FFCDMN CCN1CCC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392119 736087004 /nfs/dbraw/zinc/08/70/04/736087004.db2.gz MRTAJBWFNHGKKY-KDOFPFPSSA-N 0 1 365.905 2.838 20 10 FFCDMN C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000756788167 736361357 /nfs/dbraw/zinc/36/13/57/736361357.db2.gz BMZMERSSPJMCHF-JTQLQIEISA-N 0 1 351.248 2.862 20 10 FFCDMN CN(CCC(=O)NCc1cccc(Br)c1[O-])c1cc[nH+]cc1 ZINC000765751991 737153856 /nfs/dbraw/zinc/15/38/56/737153856.db2.gz CRTNHMJNKMOWKJ-UHFFFAOYSA-N 0 1 364.243 2.692 20 10 FFCDMN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1F ZINC000765980243 737179962 /nfs/dbraw/zinc/17/99/62/737179962.db2.gz XPOVLWKLSSXUMQ-HNNXBMFYSA-N 0 1 362.470 2.911 20 10 FFCDMN C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369110 737195478 /nfs/dbraw/zinc/19/54/78/737195478.db2.gz NFKNGBXIBOVERP-WFASDCNBSA-N 0 1 368.861 2.627 20 10 FFCDMN O=C(C[C@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915985 737476864 /nfs/dbraw/zinc/47/68/64/737476864.db2.gz OOMMOSTVMQWMNO-JKSUJKDBSA-N 0 1 352.862 2.695 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@@H]2CS(=O)(=O)NC)cc1 ZINC000769531693 737539705 /nfs/dbraw/zinc/53/97/05/737539705.db2.gz FJTZALIZBZQNNP-LJQANCHMSA-N 0 1 367.559 2.827 20 10 FFCDMN COC(=O)[C@@H](COC(C)C)N(C)Cc1cccc(Br)c1O ZINC000770356504 737618747 /nfs/dbraw/zinc/61/87/47/737618747.db2.gz XLEXERUDJHJTJC-CYBMUJFWSA-N 0 1 360.248 2.553 20 10 FFCDMN COC[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771055417 737689823 /nfs/dbraw/zinc/68/98/23/737689823.db2.gz CBKSOGDMISARFF-XJKSGUPXSA-N 0 1 354.878 2.799 20 10 FFCDMN CC(C)[C@@](C)(O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771416460 737724756 /nfs/dbraw/zinc/72/47/56/737724756.db2.gz HGEURCRKXUPXBZ-MAUKXSAKSA-N 0 1 354.878 2.533 20 10 FFCDMN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000771503791 737731242 /nfs/dbraw/zinc/73/12/42/737731242.db2.gz IFGQYYPMGLXXHG-UHFFFAOYSA-N 0 1 374.777 2.514 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc(C(F)(F)F)nn3)cc2)CC1 ZINC000788866680 739289537 /nfs/dbraw/zinc/28/95/37/739289537.db2.gz GIWJSIQDKTUJGD-UHFFFAOYSA-N 0 1 351.376 2.859 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000790409665 739449287 /nfs/dbraw/zinc/44/92/87/739449287.db2.gz TXXGAUAXPASYQH-UHFFFAOYSA-N 0 1 364.423 2.940 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000790412187 739450510 /nfs/dbraw/zinc/45/05/10/739450510.db2.gz ZQFHQWBFYNQCHN-UHFFFAOYSA-N 0 1 364.423 2.574 20 10 FFCDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930622 739515180 /nfs/dbraw/zinc/51/51/80/739515180.db2.gz BETHSBFCZJFEBG-BFQNTYOBSA-N 0 1 356.260 2.923 20 10 FFCDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(O)c1 ZINC000792181639 739648158 /nfs/dbraw/zinc/64/81/58/739648158.db2.gz UGXKDQOHOZZSAH-OAHLLOKOSA-N 0 1 369.776 2.903 20 10 FFCDMN O=C(NCc1cccc(Br)c1O)c1n[nH]nc1-c1ccccc1 ZINC000797759741 740271113 /nfs/dbraw/zinc/27/11/13/740271113.db2.gz LBKIGNSCBMKIHA-UHFFFAOYSA-N 0 1 373.210 2.870 20 10 FFCDMN O=C([N-]CC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)C(F)(F)F ZINC000799140337 740391550 /nfs/dbraw/zinc/39/15/50/740391550.db2.gz DSIAVMXNVWOKOX-UHFFFAOYSA-N 0 1 356.388 2.771 20 10 FFCDMN COCCCn1nccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000801720042 740645585 /nfs/dbraw/zinc/64/55/85/740645585.db2.gz ZJGPGXRVWWQEFN-UHFFFAOYSA-N 0 1 360.527 2.763 20 10 FFCDMN O=C(NCc1nc(C2CC2)no1)NCc1cc(Cl)cc(Cl)c1O ZINC000804936799 740917651 /nfs/dbraw/zinc/91/76/51/740917651.db2.gz PCOLPWOAPCUWFU-UHFFFAOYSA-N 0 1 357.197 2.959 20 10 FFCDMN O=S(=O)(C[C@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805134684 740943665 /nfs/dbraw/zinc/94/36/65/740943665.db2.gz GJFPLEHYSJWESD-LLVKDONJSA-N 0 1 354.255 2.688 20 10 FFCDMN COCCOC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805188891 740948609 /nfs/dbraw/zinc/94/86/09/740948609.db2.gz KIYPJQWHQQYCPW-SECBINFHSA-N 0 1 351.230 2.550 20 10 FFCDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805199313 740949348 /nfs/dbraw/zinc/94/93/48/740949348.db2.gz RJRWUAMWVAEQME-YMTOWFKASA-N 0 1 358.269 2.981 20 10 FFCDMN Cn1cnc2c1nccc2C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837669 741162919 /nfs/dbraw/zinc/16/29/19/741162919.db2.gz ZVVUZTQBYAQURE-UHFFFAOYSA-N 0 1 351.193 2.911 20 10 FFCDMN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc2[nH]1 ZINC000808113710 741187963 /nfs/dbraw/zinc/18/79/63/741187963.db2.gz HBMFBZYLFUUOPW-UHFFFAOYSA-N 0 1 357.750 2.567 20 10 FFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000808711340 741254821 /nfs/dbraw/zinc/25/48/21/741254821.db2.gz CJKVFTYWIARSKB-OAVHHTNSSA-N 0 1 365.861 2.725 20 10 FFCDMN CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234696 741400182 /nfs/dbraw/zinc/40/01/82/741400182.db2.gz GXSUKBIGDFVFIJ-LBPRGKRZSA-N 0 1 356.348 2.605 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)c2csc(Cc3ccc(N)cc3)n2)n[nH]1 ZINC000817996474 742227312 /nfs/dbraw/zinc/22/73/12/742227312.db2.gz CQSPIQZTSKJYFE-NSHDSACASA-N 0 1 355.467 2.709 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1Cl ZINC000825033725 743198768 /nfs/dbraw/zinc/19/87/68/743198768.db2.gz UCHZJVMZNWAAMR-UHFFFAOYSA-N 0 1 350.821 2.942 20 10 FFCDMN COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825131412 743216066 /nfs/dbraw/zinc/21/60/66/743216066.db2.gz NQEXHGDNPZVWEP-OAHLLOKOSA-N 0 1 352.228 2.987 20 10 FFCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])[C@@]1(O)CCCOC1 ZINC000827596148 743608866 /nfs/dbraw/zinc/60/88/66/743608866.db2.gz VRTRTAJJGQRIJO-MRXNPFEDSA-N 0 1 358.276 2.812 20 10 FFCDMN Oc1c(Br)cccc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827898498 744998679 /nfs/dbraw/zinc/99/86/79/744998679.db2.gz QJRPOASJGCPQHO-UHFFFAOYSA-N 0 1 359.174 2.700 20 10 FFCDMN CO[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544639 745378112 /nfs/dbraw/zinc/37/81/12/745378112.db2.gz SDNYRYHXIIEFOA-RRQGHBQHSA-N 0 1 366.889 2.941 20 10 FFCDMN CC(C)c1nnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)[nH]1 ZINC000838644883 746683072 /nfs/dbraw/zinc/68/30/72/746683072.db2.gz SVKWJWDACINWCF-UHFFFAOYSA-N 0 1 358.229 2.940 20 10 FFCDMN CCCS(=O)(=O)N1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840875435 747209252 /nfs/dbraw/zinc/20/92/52/747209252.db2.gz GXJSWCPHIZTMAC-UHFFFAOYSA-N 0 1 360.907 2.648 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000840970221 747246359 /nfs/dbraw/zinc/24/63/59/747246359.db2.gz OPEUQDXVDRGZPN-QGZVFWFLSA-N 0 1 350.415 2.946 20 10 FFCDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccc1OCC(N)=O ZINC000841745781 747447507 /nfs/dbraw/zinc/44/75/07/747447507.db2.gz AKKNDVRSXGLHRR-NSHDSACASA-N 0 1 364.829 2.769 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841758621 747451954 /nfs/dbraw/zinc/45/19/54/747451954.db2.gz UDCGDIZMDJYQFZ-YGRLFVJLSA-N 0 1 352.784 2.959 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC000842882574 747713271 /nfs/dbraw/zinc/71/32/71/747713271.db2.gz HFJNERNJDOYEQF-WCQYABFASA-N 0 1 367.854 2.931 20 10 FFCDMN COC(=O)CCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1C ZINC000846058091 748393583 /nfs/dbraw/zinc/39/35/83/748393583.db2.gz LCTOGYXWYKTRCS-UHFFFAOYSA-N 0 1 351.834 2.712 20 10 FFCDMN Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C(F)F)n1 ZINC000850406622 749361688 /nfs/dbraw/zinc/36/16/88/749361688.db2.gz NJKIGJXQEJSPMZ-UHFFFAOYSA-N 0 1 350.413 2.609 20 10 FFCDMN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000180600232 970837952 /nfs/dbraw/zinc/83/79/52/970837952.db2.gz CJYVYNJTFSCEFJ-YCRREMRBSA-N 0 1 353.422 2.502 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000840377203 971186175 /nfs/dbraw/zinc/18/61/75/971186175.db2.gz PNGBAZIMRQGSRP-ZBFHGGJFSA-N 0 1 355.486 2.572 20 10 FFCDMN CCOc1ccc(CN2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c(O)c1 ZINC000896749704 971690567 /nfs/dbraw/zinc/69/05/67/971690567.db2.gz WJWQVLQYERDGEE-UHFFFAOYSA-N 0 1 368.437 2.695 20 10 FFCDMN O=C1C[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C(=O)N1CC(F)F ZINC001275895808 1013155779 /nfs/dbraw/zinc/15/57/79/1013155779.db2.gz OGVIFZMDDOLRNG-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN O=C1C[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C(=O)N1CC(F)F ZINC001275895808 1013155783 /nfs/dbraw/zinc/15/57/83/1013155783.db2.gz OGVIFZMDDOLRNG-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276031236 1013297628 /nfs/dbraw/zinc/29/76/28/1013297628.db2.gz GCOHCKLYEHBMOC-VBKZILBWSA-N 0 1 362.445 2.713 20 10 FFCDMN Cc1c(F)cnc(NCc2ccc(N3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC001167426550 963026829 /nfs/dbraw/zinc/02/68/29/963026829.db2.gz JFTQFPFNMWFPKY-UHFFFAOYSA-N 0 1 359.405 2.801 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(-c4cccnc4)ncn3)cc2)CC1 ZINC001167431401 963093978 /nfs/dbraw/zinc/09/39/78/963093978.db2.gz XWDJATMSZIKKNB-UHFFFAOYSA-N 0 1 360.465 2.903 20 10 FFCDMN CCOC(=O)c1ccncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434883 963187477 /nfs/dbraw/zinc/18/74/77/963187477.db2.gz XVJLYCXOKWBTRM-UHFFFAOYSA-N 0 1 354.454 2.622 20 10 FFCDMN CCOC(=O)c1cc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001167437397 963270529 /nfs/dbraw/zinc/27/05/29/963270529.db2.gz UOQWFXVOZDJSGX-UHFFFAOYSA-N 0 1 368.481 2.931 20 10 FFCDMN CC(=O)Nc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC001167437611 963281690 /nfs/dbraw/zinc/28/16/90/963281690.db2.gz VDUXYXJKCZQVRM-UHFFFAOYSA-N 0 1 353.470 2.712 20 10 FFCDMN Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1C(F)(F)F ZINC001176341473 1013679587 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XZYNVKOCUSCKCZ-KRWDZBQOSA-N 0 1 374.529 2.647 20 10 FFCDMN C[C@H](Cn1ncc2ccccc2c1=O)NCc1cc(F)c(N(C)C)cc1F ZINC001328764188 1048456807 /nfs/dbraw/zinc/45/68/07/1048456807.db2.gz KGOHJRLXBHLCHE-CYBMUJFWSA-N 0 1 372.419 2.919 20 10 FFCDMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000735821448 1048601435 /nfs/dbraw/zinc/60/14/35/1048601435.db2.gz HCTRQYANMBLREV-UHFFFAOYSA-N 0 1 368.416 2.946 20 10 FFCDMN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CN1Cc1ccccc1 ZINC001295079461 1049873155 /nfs/dbraw/zinc/87/31/55/1049873155.db2.gz ZNYKXQHUSDJNAI-HZPDHXFCSA-N 0 1 354.450 2.762 20 10 FFCDMN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393511 1049882779 /nfs/dbraw/zinc/88/27/79/1049882779.db2.gz XWFSOEYOITUIOZ-UWWQBHOKSA-N 0 1 372.469 2.684 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCCC3(F)F)cc2)CC1 ZINC001303084291 1051272648 /nfs/dbraw/zinc/27/26/48/1051272648.db2.gz DVEZQMCSVVNLRU-KRWDZBQOSA-N 0 1 351.441 2.880 20 10 FFCDMN COc1cc(C)c(CNc2ccc3c(c2)nc(C)n3C(CO)CO)c(O)c1 ZINC001308768280 1052497862 /nfs/dbraw/zinc/49/78/62/1052497862.db2.gz UYBMDVVBMDHHLS-UHFFFAOYSA-N 0 1 371.437 2.505 20 10 FFCDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363322 1055602879 /nfs/dbraw/zinc/60/28/79/1055602879.db2.gz XQNWHOOJTLBNAL-SOUVJXGZSA-N 0 1 374.460 2.657 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)C(C)(C)CC)cc2F)CC1 ZINC001443589314 1058222847 /nfs/dbraw/zinc/22/28/47/1058222847.db2.gz CQVRPBYLLCNUTF-UHFFFAOYSA-N 0 1 363.477 2.589 20 10 FFCDMN Cn1cnnc1N1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000848498810 1060175106 /nfs/dbraw/zinc/17/51/06/1060175106.db2.gz ZJHRWTQGECWVDY-UHFFFAOYSA-N 0 1 363.421 2.742 20 10 FFCDMN CCCOc1ccc(CN[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1C ZINC001461251491 1061267537 /nfs/dbraw/zinc/26/75/37/1061267537.db2.gz GKNLUGMVSFYSAU-QGZVFWFLSA-N 0 1 356.470 2.721 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)c2c[nH]nn2)CCCC1 ZINC001468896598 1064055550 /nfs/dbraw/zinc/05/55/50/1064055550.db2.gz FMXMFNHHTVPLBH-UHFFFAOYSA-N 0 1 367.453 2.698 20 10 FFCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(N(C)C)nc3)cc2F)C[C@H](C)O1 ZINC001473940528 1065424406 /nfs/dbraw/zinc/42/44/06/1065424406.db2.gz HJQHKNQTRMXCIA-GASCZTMLSA-N 0 1 373.476 2.585 20 10 FFCDMN COc1ccc(N2CCN(CCNCc3nc4ccccc4o3)CC2)cc1 ZINC001473962201 1065429807 /nfs/dbraw/zinc/42/98/07/1065429807.db2.gz ZPPXRKBFXGVVHK-UHFFFAOYSA-N 0 1 366.465 2.748 20 10 FFCDMN Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(F)c1F ZINC001583476809 1079220903 /nfs/dbraw/zinc/22/09/03/1079220903.db2.gz XMSOPHWGCVJFKF-UHFFFAOYSA-N 0 1 359.420 2.955 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC001583475443 1079220972 /nfs/dbraw/zinc/22/09/72/1079220972.db2.gz GZBJUPSUNHTUBO-OAQYLSRUSA-N 0 1 367.468 2.924 20 10 FFCDMN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)sc1C=O ZINC001558723377 1076063458 /nfs/dbraw/zinc/06/34/58/1076063458.db2.gz MYIPOQMGWSDVMD-MRXNPFEDSA-N 0 1 359.495 2.968 20 10 FFCDMN C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001560378488 1076268798 /nfs/dbraw/zinc/26/87/98/1076268798.db2.gz CKZSZJBSYSUPCY-UHFFFAOYSA-N 0 1 351.809 2.957 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1O ZINC001561021372 1076321077 /nfs/dbraw/zinc/32/10/77/1076321077.db2.gz JXWYRFJVYXHDAG-RDDDGLTNSA-N 0 1 365.065 2.730 20 10 FFCDMN CN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000111235062 508080751 /nfs/dbraw/zinc/08/07/51/508080751.db2.gz JIQNPZBFFNEPHQ-LJQANCHMSA-N 0 1 358.413 2.563 20 10 FFCDMN O=C1CCCN1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093087548 508121136 /nfs/dbraw/zinc/12/11/36/508121136.db2.gz UNMRHHHYLXMYIV-UHFFFAOYSA-N 0 1 353.260 2.742 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000093321170 508139474 /nfs/dbraw/zinc/13/94/74/508139474.db2.gz FLJOCQUJPGOEKB-UHFFFAOYSA-N 0 1 367.559 2.779 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191196487 510544006 /nfs/dbraw/zinc/54/40/06/510544006.db2.gz DPEJJOIOUSLELH-ZDUSSCGKSA-N 0 1 362.424 2.668 20 10 FFCDMN CCN(CC)c1ccc(CN[C@H](C[NH+]2CCCCC2)C(=O)[O-])cc1F ZINC000277312737 510960319 /nfs/dbraw/zinc/96/03/19/510960319.db2.gz NNBXKIMDHPXQTR-QGZVFWFLSA-N 0 1 351.466 2.701 20 10 FFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364739455 511055218 /nfs/dbraw/zinc/05/52/18/511055218.db2.gz ZXKXCKUGHCYGQR-LJQANCHMSA-N 0 1 374.448 2.770 20 10 FFCDMN CN(C)c1ccc(CN(C(=O)NCCCCN2CCOCC2)C2CC2)cc1 ZINC000298859651 511434102 /nfs/dbraw/zinc/43/41/02/511434102.db2.gz CKHGXJUUJSZBBQ-UHFFFAOYSA-N 0 1 374.529 2.539 20 10 FFCDMN COC1CCN(c2ccc(CN3C[C@@H](C)O[C@@]4(CCOC4)C3)cc2)CC1 ZINC000295983064 511578932 /nfs/dbraw/zinc/57/89/32/511578932.db2.gz LIUVYXQIYYBUIO-UTKZUKDTSA-N 0 1 360.498 2.682 20 10 FFCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000292474308 511609847 /nfs/dbraw/zinc/60/98/47/511609847.db2.gz RPSCRCNLASHTPL-JLTOFOAXSA-N 0 1 373.522 2.722 20 10 FFCDMN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000274071743 511711278 /nfs/dbraw/zinc/71/12/78/511711278.db2.gz PHSIIABNLDZACJ-UHFFFAOYSA-N 0 1 366.870 2.875 20 10 FFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000366108050 511843824 /nfs/dbraw/zinc/84/38/24/511843824.db2.gz XDJMFIBNKRMGDJ-MRXNPFEDSA-N 0 1 355.486 2.953 20 10 FFCDMN Cc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000366403076 512001906 /nfs/dbraw/zinc/00/19/06/512001906.db2.gz SSTHQWYYWWLNPV-HNNXBMFYSA-N 0 1 363.845 2.665 20 10 FFCDMN COc1cc(Cl)cc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274984994 512007838 /nfs/dbraw/zinc/00/78/38/512007838.db2.gz YCHKGZQPZZVUDW-UHFFFAOYSA-N 0 1 363.845 2.576 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000374428748 512829345 /nfs/dbraw/zinc/82/93/45/512829345.db2.gz MSKLHMWGHNHZTF-KBAYOESNSA-N 0 1 366.889 2.932 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(=O)[nH]1 ZINC000370293583 512863313 /nfs/dbraw/zinc/86/33/13/512863313.db2.gz HDRHBZMECZIMSM-AWEZNQCLSA-N 0 1 361.829 2.541 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H]2CCOC2)C1 ZINC000435810328 513690055 /nfs/dbraw/zinc/69/00/55/513690055.db2.gz SHZBQMOXPHNLGH-QGZVFWFLSA-N 0 1 369.509 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H](C)C2)C1 ZINC000435908101 513713340 /nfs/dbraw/zinc/71/33/40/513713340.db2.gz NBKIZWVDLFUDFF-KRWDZBQOSA-N 0 1 369.509 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCn3nccc32)C1 ZINC000560389938 517761313 /nfs/dbraw/zinc/76/13/13/517761313.db2.gz CXBCWLGDIOVEDA-UHFFFAOYSA-N 0 1 363.465 2.651 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)C2CCC2)C1 ZINC000617312098 520425137 /nfs/dbraw/zinc/42/51/37/520425137.db2.gz RNFBQSQUYDCGHP-IBGZPJMESA-N 0 1 369.509 2.685 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000740097686 600686299 /nfs/dbraw/zinc/68/62/99/600686299.db2.gz PXKWSTVPCLEJLF-QGZVFWFLSA-N 0 1 357.406 2.971 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000739780109 603397714 /nfs/dbraw/zinc/39/77/14/603397714.db2.gz MXWQCESGOSIMDZ-SJCJKPOMSA-N 0 1 372.421 2.810 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431858 606413009 /nfs/dbraw/zinc/41/30/09/606413009.db2.gz IYIOHPLWLJNGNT-ZDUSSCGKSA-N 0 1 370.482 2.616 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431858 606413010 /nfs/dbraw/zinc/41/30/10/606413010.db2.gz IYIOHPLWLJNGNT-ZDUSSCGKSA-N 0 1 370.482 2.616 20 10 FFCDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093414063 728475956 /nfs/dbraw/zinc/47/59/56/728475956.db2.gz GTAPOPJHVRGWAL-LLVKDONJSA-N 0 1 364.305 2.800 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(Cl)ccc2O)cc1 ZINC000093685803 728477399 /nfs/dbraw/zinc/47/73/99/728477399.db2.gz SWFDHFIVPIOOCI-UHFFFAOYSA-N 0 1 368.886 2.764 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Nc3nccs3)cc2F)CC1 ZINC000106506666 728510911 /nfs/dbraw/zinc/51/09/11/728510911.db2.gz RASSGDZWZNAWTM-UHFFFAOYSA-N 0 1 363.462 2.746 20 10 FFCDMN O=C(CC1(O)CCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129964405 728714244 /nfs/dbraw/zinc/71/42/44/728714244.db2.gz SRQRHPIYPMRULI-INIZCTEOSA-N 0 1 366.889 2.821 20 10 FFCDMN Cc1cccc(OC[C@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858108223 730416746 /nfs/dbraw/zinc/41/67/46/730416746.db2.gz YEYUSVLOTXPPKI-OAHLLOKOSA-N 0 1 350.409 2.869 20 10 FFCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000858185222 730419080 /nfs/dbraw/zinc/41/90/80/730419080.db2.gz AJSZIBWFUUYQJQ-UPJWGTAASA-N 0 1 357.292 2.742 20 10 FFCDMN Brc1cc(CNCc2c[nH]nn2)ccc1N1CCCCC1 ZINC000858197389 730419460 /nfs/dbraw/zinc/41/94/60/730419460.db2.gz IOPYTXITLVJPEY-UHFFFAOYSA-N 0 1 350.264 2.847 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603950 730429725 /nfs/dbraw/zinc/42/97/25/730429725.db2.gz YIJCFMPQAJOFBO-IINYFYTJSA-N 0 1 353.260 2.959 20 10 FFCDMN CC1(C)C[C@@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CO1 ZINC000859161665 730443902 /nfs/dbraw/zinc/44/39/02/730443902.db2.gz QWEGVLPYTDOENM-SNVBAGLBSA-N 0 1 354.255 2.686 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000925149598 738483334 /nfs/dbraw/zinc/48/33/34/738483334.db2.gz RYHVGISOQVUCHP-SJORKVTESA-N 0 1 363.527 2.894 20 10 FFCDMN CCOC(=O)CC1([NH2+]Cc2c([O-])cccc2Br)CCOCC1 ZINC000862417463 730699678 /nfs/dbraw/zinc/69/96/78/730699678.db2.gz CYTRHCGQMRUMLB-UHFFFAOYSA-N 0 1 372.259 2.747 20 10 FFCDMN C[C@@](CO)([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000862433611 730702213 /nfs/dbraw/zinc/70/22/13/730702213.db2.gz ZKCCONFGAIANGK-INIZCTEOSA-N 0 1 352.228 2.858 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1Cl ZINC000862536768 730707318 /nfs/dbraw/zinc/70/73/18/730707318.db2.gz UVXMEPKJIWACOW-KRWDZBQOSA-N 0 1 361.873 2.740 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000862536951 730707464 /nfs/dbraw/zinc/70/74/64/730707464.db2.gz ZEFYPGXHLFAJGW-UHFFFAOYSA-N 0 1 362.813 2.854 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(F)CCOCC1 ZINC000866763907 731096711 /nfs/dbraw/zinc/09/67/11/731096711.db2.gz JMAUPBVIZKUZGK-HNNXBMFYSA-N 0 1 370.852 2.645 20 10 FFCDMN CN(C)c1ccc(CNCc2cnn3cc(Br)cnc23)cc1 ZINC000876904990 732295212 /nfs/dbraw/zinc/29/52/12/732295212.db2.gz BUEZBJXTXXVTFZ-UHFFFAOYSA-N 0 1 360.259 2.848 20 10 FFCDMN Cn1nccc1[C@@H](NCc1ccc(F)c(F)c1O)C(=O)OC(C)(C)C ZINC000877607786 732397725 /nfs/dbraw/zinc/39/77/25/732397725.db2.gz LPMHVMGOJGZDSP-CQSZACIVSA-N 0 1 353.369 2.577 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3nc(Cl)ccc3F)cc2)CC1 ZINC000881852711 733120730 /nfs/dbraw/zinc/12/07/30/733120730.db2.gz YSVVFRCHSPLJIA-UHFFFAOYSA-N 0 1 362.836 2.556 20 10 FFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ccc1[O-] ZINC000927040952 738684741 /nfs/dbraw/zinc/68/47/41/738684741.db2.gz KHOXZRZHHVMDCY-NSNUZPRRSA-N 0 1 374.300 2.914 20 10 FFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000728698245 734540327 /nfs/dbraw/zinc/54/03/27/734540327.db2.gz MLAIJBFCNCHXSB-JYRVWZFOSA-N 0 1 356.765 2.573 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000783724900 738829652 /nfs/dbraw/zinc/82/96/52/738829652.db2.gz XZQBTYZYIAHACK-ZDUSSCGKSA-N 0 1 371.319 2.740 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000783724900 738829656 /nfs/dbraw/zinc/82/96/56/738829656.db2.gz XZQBTYZYIAHACK-ZDUSSCGKSA-N 0 1 371.319 2.740 20 10 FFCDMN O=C(Nc1nncs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731853239 734701187 /nfs/dbraw/zinc/70/11/87/734701187.db2.gz ZRTULKBBCQEDPD-GFCCVEGCSA-N 0 1 367.862 2.683 20 10 FFCDMN Cc1nc2cc(NCc3cc(Cl)ccc3O)ccc2n1C(CO)CO ZINC000894927390 734937838 /nfs/dbraw/zinc/93/78/38/734937838.db2.gz VCIKNZFWVDRFCS-UHFFFAOYSA-N 0 1 361.829 2.842 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895847370 735063799 /nfs/dbraw/zinc/06/37/99/735063799.db2.gz URIZJTWGBGBRDV-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865740 735093205 /nfs/dbraw/zinc/09/32/05/735093205.db2.gz ZAICQHLKYQBUNN-ZDUSSCGKSA-N 0 1 363.479 2.884 20 10 FFCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865740 735093209 /nfs/dbraw/zinc/09/32/09/735093209.db2.gz ZAICQHLKYQBUNN-ZDUSSCGKSA-N 0 1 363.479 2.884 20 10 FFCDMN C[C@]1([C@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395418 735153138 /nfs/dbraw/zinc/15/31/38/735153138.db2.gz IRXFJTCPLAPVIT-BLLLJJGKSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395418 735153140 /nfs/dbraw/zinc/15/31/40/735153140.db2.gz IRXFJTCPLAPVIT-BLLLJJGKSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270269 739226189 /nfs/dbraw/zinc/22/61/89/739226189.db2.gz QTAHOWZKDSDAGT-OIBJUYFYSA-N 0 1 365.065 2.872 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1N1CCCC1 ZINC000753922670 736107025 /nfs/dbraw/zinc/10/70/25/736107025.db2.gz BGYUBEUFDCSICM-UHFFFAOYSA-N 0 1 358.423 2.932 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000756680679 736351779 /nfs/dbraw/zinc/35/17/79/736351779.db2.gz AMIXTLBZWVSJJU-LLVKDONJSA-N 0 1 370.496 2.563 20 10 FFCDMN O=C1CCC(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000907187060 736594827 /nfs/dbraw/zinc/59/48/27/736594827.db2.gz LOZJLGOOQJFLCT-UHFFFAOYSA-N 0 1 352.239 2.630 20 10 FFCDMN CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(Br)c2O)CC1 ZINC000800533309 740532473 /nfs/dbraw/zinc/53/24/73/740532473.db2.gz AJGWCDHJTBVKGT-GFCCVEGCSA-N 0 1 362.289 2.554 20 10 FFCDMN CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780697 737048960 /nfs/dbraw/zinc/04/89/60/737048960.db2.gz RQXGNSANXSPZDI-CYBMUJFWSA-N 0 1 370.291 2.828 20 10 FFCDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780697 737048965 /nfs/dbraw/zinc/04/89/65/737048965.db2.gz RQXGNSANXSPZDI-CYBMUJFWSA-N 0 1 370.291 2.828 20 10 FFCDMN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cccc2nonc21 ZINC000765035342 737074861 /nfs/dbraw/zinc/07/48/61/737074861.db2.gz POIWHONJUUQTTM-UHFFFAOYSA-N 0 1 358.423 2.932 20 10 FFCDMN O=C([O-])CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368484 737195527 /nfs/dbraw/zinc/19/55/27/737195527.db2.gz BVARMQLKGSESOU-HNNXBMFYSA-N 0 1 368.861 2.771 20 10 FFCDMN CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768340789 737414833 /nfs/dbraw/zinc/41/48/33/737414833.db2.gz DQVBBISILYBQRO-GFCCVEGCSA-N 0 1 367.298 2.603 20 10 FFCDMN CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768340789 737414837 /nfs/dbraw/zinc/41/48/37/737414837.db2.gz DQVBBISILYBQRO-GFCCVEGCSA-N 0 1 367.298 2.603 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])CN1 ZINC000770379989 737620691 /nfs/dbraw/zinc/62/06/91/737620691.db2.gz MHCXGVKSMZFAOL-GXTWGEPZSA-N 0 1 353.260 2.645 20 10 FFCDMN COC[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771055409 737689750 /nfs/dbraw/zinc/68/97/50/737689750.db2.gz CBKSOGDMISARFF-CZUORRHYSA-N 0 1 354.878 2.799 20 10 FFCDMN CN1CCN(c2ccc([C@@H]3Nc4ccc(Cl)cc4C(=O)N3)cc2)CC1 ZINC000771518423 737732110 /nfs/dbraw/zinc/73/21/10/737732110.db2.gz ROBKWEALMLJMIK-GOSISDBHSA-N 0 1 356.857 2.946 20 10 FFCDMN CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1[O-] ZINC000775513069 738098456 /nfs/dbraw/zinc/09/84/56/738098456.db2.gz NNHWDQSKJBTADY-CYBMUJFWSA-N 0 1 364.243 2.890 20 10 FFCDMN O=C(c1cccc(O)c1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775674912 738111684 /nfs/dbraw/zinc/11/16/84/738111684.db2.gz ONZLVWODPSRNAY-UHFFFAOYSA-N 0 1 364.804 2.848 20 10 FFCDMN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000776868113 738240149 /nfs/dbraw/zinc/24/01/49/738240149.db2.gz GWGWYOVYVCQJJT-DIOULYMOSA-N 0 1 374.275 2.626 20 10 FFCDMN CC(C)(O)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787443205 739137495 /nfs/dbraw/zinc/13/74/95/739137495.db2.gz BNPMUEMKLGDBES-OAHLLOKOSA-N 0 1 354.878 2.677 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167362 739645593 /nfs/dbraw/zinc/64/55/93/739645593.db2.gz PMNPEHQDBBMAJB-NWDGAFQWSA-N 0 1 358.841 2.548 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000794874974 739938591 /nfs/dbraw/zinc/93/85/91/739938591.db2.gz LQSQEMGLIYPDQL-UHFFFAOYSA-N 0 1 351.380 2.629 20 10 FFCDMN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000801735045 740646959 /nfs/dbraw/zinc/64/69/59/740646959.db2.gz OTLPTUCJGKPEPE-ZDUSSCGKSA-N 0 1 368.886 2.892 20 10 FFCDMN O=C(NCCOC[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805123351 740941730 /nfs/dbraw/zinc/94/17/30/740941730.db2.gz MEQPMYUPIFTCJS-GFCCVEGCSA-N 0 1 363.241 2.694 20 10 FFCDMN Cc1noc(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135462 740943699 /nfs/dbraw/zinc/94/36/99/740943699.db2.gz MCZDUNNTTGDQIA-UHFFFAOYSA-N 0 1 351.211 2.782 20 10 FFCDMN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805190566 740948741 /nfs/dbraw/zinc/94/87/41/740948741.db2.gz SFCCKKVAIAOUCT-XTWCZFFVSA-N 0 1 372.252 2.508 20 10 FFCDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805199312 740949385 /nfs/dbraw/zinc/94/93/85/740949385.db2.gz RJRWUAMWVAEQME-XPTSAGLGSA-N 0 1 358.269 2.981 20 10 FFCDMN CN(C)c1ccnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806397145 741056945 /nfs/dbraw/zinc/05/69/45/741056945.db2.gz UMIWHBKCCNQBFM-UHFFFAOYSA-N 0 1 356.213 2.877 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809713346 741336056 /nfs/dbraw/zinc/33/60/56/741336056.db2.gz MXHKSMQYUPMRBC-UHFFFAOYSA-N 0 1 371.256 2.946 20 10 FFCDMN CCOc1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515079 741532650 /nfs/dbraw/zinc/53/26/50/741532650.db2.gz VEMQZWQZOAFPMF-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515079 741532653 /nfs/dbraw/zinc/53/26/53/741532653.db2.gz VEMQZWQZOAFPMF-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN COc1cccc(C[C@H](O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813684604 741748831 /nfs/dbraw/zinc/74/88/31/741748831.db2.gz SLLHYNUWBSRVDC-HNNXBMFYSA-N 0 1 370.232 2.927 20 10 FFCDMN O=C(NCc1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813686335 741749291 /nfs/dbraw/zinc/74/92/91/741749291.db2.gz ZKMLPJJKSDDVKG-UHFFFAOYSA-N 0 1 371.195 2.771 20 10 FFCDMN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000817356192 742128725 /nfs/dbraw/zinc/12/87/25/742128725.db2.gz HFAYDNKKOKKCDT-INIZCTEOSA-N 0 1 363.435 2.594 20 10 FFCDMN COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000818357633 742266644 /nfs/dbraw/zinc/26/66/44/742266644.db2.gz COAZNKRLXGZYQQ-RKDXNWHRSA-N 0 1 351.384 2.955 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504058 742745571 /nfs/dbraw/zinc/74/55/71/742745571.db2.gz OXIOGQRWJPYMOF-CQSZACIVSA-N 0 1 351.248 2.892 20 10 FFCDMN Cc1cc(O)c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000824809100 743153514 /nfs/dbraw/zinc/15/35/14/743153514.db2.gz QPKSUKMJLIWMEH-LBPRGKRZSA-N 0 1 350.768 2.949 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000824827302 743156879 /nfs/dbraw/zinc/15/68/79/743156879.db2.gz BJPGLAWDBMIVFO-WDEREUQCSA-N 0 1 362.779 2.888 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000824827302 743156881 /nfs/dbraw/zinc/15/68/81/743156881.db2.gz BJPGLAWDBMIVFO-WDEREUQCSA-N 0 1 362.779 2.888 20 10 FFCDMN COc1cc(O)c(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)cc1OC ZINC000825124854 743214045 /nfs/dbraw/zinc/21/40/45/743214045.db2.gz ZRARTEQCPPPGHF-LBPRGKRZSA-N 0 1 362.392 2.725 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000825173387 743222385 /nfs/dbraw/zinc/22/23/85/743222385.db2.gz KDRWLLATHSPSRR-LLVKDONJSA-N 0 1 353.182 2.881 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000825943886 743346876 /nfs/dbraw/zinc/34/68/76/743346876.db2.gz LRYPYSIBJPTYQP-CWRNSKLLSA-N 0 1 367.287 2.891 20 10 FFCDMN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCN(C2CC2)C1 ZINC000831905553 745602900 /nfs/dbraw/zinc/60/29/00/745602900.db2.gz KSUPPMKKZBEPBJ-INIZCTEOSA-N 0 1 356.495 2.625 20 10 FFCDMN CO[C@@H]1COCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836576960 746259798 /nfs/dbraw/zinc/25/97/98/746259798.db2.gz ZCMQJAVOQFBECL-TVQRCGJNSA-N 0 1 363.241 2.550 20 10 FFCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C(C)(C)CN1CCOCC1 ZINC000840978516 747249825 /nfs/dbraw/zinc/24/98/25/747249825.db2.gz RZUQORCBOOANBW-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841745742 747447558 /nfs/dbraw/zinc/44/75/58/747447558.db2.gz SNZBLBAUVYDBTM-DYVFJYSZSA-N 0 1 356.919 2.904 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1[O-] ZINC000841754018 747449728 /nfs/dbraw/zinc/44/97/28/747449728.db2.gz OYZHYNWINSOBNE-SWLSCSKDSA-N 0 1 362.861 2.621 20 10 FFCDMN CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850510156 749377937 /nfs/dbraw/zinc/37/79/37/749377937.db2.gz VPIBELGKIOBTAJ-HOCLYGCPSA-N 0 1 363.376 2.620 20 10 FFCDMN COc1cccc(CC(=O)N2CCN(Cc3cccc(C)c3O)CC2)c1 ZINC000179875575 970767610 /nfs/dbraw/zinc/76/76/10/970767610.db2.gz OXDTWGZKJVJGTH-UHFFFAOYSA-N 0 1 354.450 2.596 20 10 FFCDMN CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837071 1013058495 /nfs/dbraw/zinc/05/84/95/1013058495.db2.gz BDLNIZRWTDAOGQ-DOMZBBRYSA-N 0 1 364.873 2.741 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275893283 1013149654 /nfs/dbraw/zinc/14/96/54/1013149654.db2.gz FTTIGXCIIFOZLE-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275893283 1013149660 /nfs/dbraw/zinc/14/96/60/1013149660.db2.gz FTTIGXCIIFOZLE-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2O)C1=O ZINC001275893283 1013149663 /nfs/dbraw/zinc/14/96/63/1013149663.db2.gz FTTIGXCIIFOZLE-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275894135 1013151114 /nfs/dbraw/zinc/15/11/14/1013151114.db2.gz QSVHDLGBPXAUJA-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275894135 1013151122 /nfs/dbraw/zinc/15/11/22/1013151122.db2.gz QSVHDLGBPXAUJA-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275895701 1013155294 /nfs/dbraw/zinc/15/52/94/1013155294.db2.gz NKQLSRRRSYRQLB-IBGZPJMESA-N 0 1 366.889 2.895 20 10 FFCDMN COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275895701 1013155305 /nfs/dbraw/zinc/15/53/05/1013155305.db2.gz NKQLSRRRSYRQLB-IBGZPJMESA-N 0 1 366.889 2.895 20 10 FFCDMN CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951455 1013220982 /nfs/dbraw/zinc/22/09/82/1013220982.db2.gz JUGMNYDQXFGNCO-KKSFZXQISA-N 0 1 357.498 2.605 20 10 FFCDMN Cc1nc2ncc(NCc3ccc(N4CCN(C)CC4)cc3)nc2s1 ZINC001167426495 963027111 /nfs/dbraw/zinc/02/71/11/963027111.db2.gz GVAUKEKMAYLCGS-UHFFFAOYSA-N 0 1 354.483 2.759 20 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Cc1nn(C)c2nccc(NCc3ccc(N4CCN(C)CC4)cc3)c12 ZINC000882879843 1006544225 /nfs/dbraw/zinc/54/42/25/1006544225.db2.gz PMZUQUHSLIVFAV-UHFFFAOYSA-N 0 1 350.470 2.641 20 10 FFCDMN c1ccc(-c2nccc(CNCc3ccc(N4CCOCC4)cc3)n2)nc1 ZINC000883287773 1006733605 /nfs/dbraw/zinc/73/36/05/1006733605.db2.gz FEKAQYXZODQPSB-UHFFFAOYSA-N 0 1 361.449 2.665 20 10 FFCDMN CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883617044 1006911073 /nfs/dbraw/zinc/91/10/73/1006911073.db2.gz ATCDJGWQVDUYGF-OAHLLOKOSA-N 0 1 372.435 2.969 20 10 FFCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccnn4C)C3)C2)cc1 ZINC001206330265 1032232695 /nfs/dbraw/zinc/23/26/95/1032232695.db2.gz VHUBIVCGQQADDS-OAQYLSRUSA-N 0 1 370.497 2.548 20 10 FFCDMN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1[nH]nc2c1CCCCC2 ZINC000856213215 1007729007 /nfs/dbraw/zinc/72/90/07/1007729007.db2.gz YMTFHPUXPYRGIX-UHFFFAOYSA-N 0 1 368.481 2.570 20 10 FFCDMN CCN(CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccco1 ZINC000114592459 1007970734 /nfs/dbraw/zinc/97/07/34/1007970734.db2.gz 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O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001203876359 1030949824 /nfs/dbraw/zinc/94/98/24/1030949824.db2.gz BEOUYOIYXZMOQN-YOEHRIQHSA-N 0 1 356.397 2.583 20 10 FFCDMN Oc1ccc(CN2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cc1O ZINC001203879684 1030956273 /nfs/dbraw/zinc/95/62/73/1030956273.db2.gz XVGLWKDXCODVKO-OXQOHEQNSA-N 0 1 356.422 2.695 20 10 FFCDMN COC(=O)c1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203936287 1030995809 /nfs/dbraw/zinc/99/58/09/1030995809.db2.gz CEQVFHBBZZFVDD-UHFFFAOYSA-N 0 1 353.466 2.861 20 10 FFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797415298 1031103388 /nfs/dbraw/zinc/10/33/88/1031103388.db2.gz AWEXLNRKPYJKSM-OAHLLOKOSA-N 0 1 358.482 2.825 20 10 FFCDMN COc1c([O-])c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000843116422 1031191916 /nfs/dbraw/zinc/19/19/16/1031191916.db2.gz NNCWYZFHHAYHMY-INIZCTEOSA-N 0 1 361.373 2.595 20 10 FFCDMN Oc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)c(O)c1 ZINC001204271651 1031198352 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NBRMJWSNIZAFKD-GOEBONIOSA-N 0 1 366.433 2.599 20 10 FFCDMN O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(F)c2[O-])O1 ZINC001138127183 1033808516 /nfs/dbraw/zinc/80/85/16/1033808516.db2.gz RMQWBGXSBCJLOO-KZNAEPCWSA-N 0 1 374.412 2.563 20 10 FFCDMN COc1cc(C)nc(N2CCN(Cc3c(C)n(C)c4ccccc43)CC2)n1 ZINC001138259106 1034030359 /nfs/dbraw/zinc/03/03/59/1034030359.db2.gz BACRMKSFOMGUQO-UHFFFAOYSA-N 0 1 365.481 2.916 20 10 FFCDMN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025873 1034169182 /nfs/dbraw/zinc/16/91/82/1034169182.db2.gz HCQSDLFZDCNNGT-HXUWFJFHSA-N 0 1 364.461 2.691 20 10 FFCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C)c1O ZINC001277025633 1034169686 /nfs/dbraw/zinc/16/96/86/1034169686.db2.gz GALDONJIAITBJC-JLTOFOAXSA-N 0 1 362.445 2.774 20 10 FFCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(F)cc(C)c1O ZINC001277025633 1034169694 /nfs/dbraw/zinc/16/96/94/1034169694.db2.gz GALDONJIAITBJC-JLTOFOAXSA-N 0 1 362.445 2.774 20 10 FFCDMN Cc1ccc2c(n1)N(C)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138495718 1034333083 /nfs/dbraw/zinc/33/30/83/1034333083.db2.gz FZCOFYMRGXKASV-UHFFFAOYSA-N 0 1 352.482 2.679 20 10 FFCDMN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139125957 1034956963 /nfs/dbraw/zinc/95/69/63/1034956963.db2.gz RBUJWEJRXKFRPX-YCRPNKLZSA-N 0 1 373.449 2.967 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001139126025 1034957109 /nfs/dbraw/zinc/95/71/09/1034957109.db2.gz UBNTVCLSYIWDIJ-UHFFFAOYSA-N 0 1 354.450 2.725 20 10 FFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140056147 1035325402 /nfs/dbraw/zinc/32/54/02/1035325402.db2.gz JPUXEWWSQLDURT-LBPRGKRZSA-N 0 1 357.307 2.993 20 10 FFCDMN Fc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2c[nH]nn2)cc1 ZINC000834531475 1035404622 /nfs/dbraw/zinc/40/46/22/1035404622.db2.gz ZYNHWBYBJUWWHG-HXUWFJFHSA-N 0 1 367.428 2.660 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001140338237 1035442817 /nfs/dbraw/zinc/44/28/17/1035442817.db2.gz BTDAARCUKNCHPV-UHFFFAOYSA-N 0 1 357.845 2.545 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001140338237 1035442820 /nfs/dbraw/zinc/44/28/20/1035442820.db2.gz BTDAARCUKNCHPV-UHFFFAOYSA-N 0 1 357.845 2.545 20 10 FFCDMN CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140342805 1035445586 /nfs/dbraw/zinc/44/55/86/1035445586.db2.gz YZFFLCACEVTCIM-UHFFFAOYSA-N 0 1 372.918 2.683 20 10 FFCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001140466327 1035485487 /nfs/dbraw/zinc/48/54/87/1035485487.db2.gz BJKYRZFTPYHSHQ-YQVWRLOYSA-N 0 1 367.873 2.688 20 10 FFCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001140466327 1035485489 /nfs/dbraw/zinc/48/54/89/1035485489.db2.gz BJKYRZFTPYHSHQ-YQVWRLOYSA-N 0 1 367.873 2.688 20 10 FFCDMN CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccns2)cc1 ZINC001277628174 1035495289 /nfs/dbraw/zinc/49/52/89/1035495289.db2.gz GICGJUBTJARBQH-RTBURBONSA-N 0 1 370.522 2.975 20 10 FFCDMN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)cc1Cl ZINC001232265430 1035537923 /nfs/dbraw/zinc/53/79/23/1035537923.db2.gz LDOPCRHSQQOINN-CYBMUJFWSA-N 0 1 352.862 2.745 20 10 FFCDMN COCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)C1=O ZINC001277212480 1035571025 /nfs/dbraw/zinc/57/10/25/1035571025.db2.gz CKKXRQMLRCSTAI-LJQANCHMSA-N 0 1 366.889 2.815 20 10 FFCDMN COCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)C1=O ZINC001277212480 1035571033 /nfs/dbraw/zinc/57/10/33/1035571033.db2.gz CKKXRQMLRCSTAI-LJQANCHMSA-N 0 1 366.889 2.815 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@]12CCN(c1cccnc1)C2=O ZINC001140581412 1035661444 /nfs/dbraw/zinc/66/14/44/1035661444.db2.gz RUOPLIPARNKFNT-ZUOKHONESA-N 0 1 373.403 2.940 20 10 FFCDMN CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581267 1035661477 /nfs/dbraw/zinc/66/14/77/1035661477.db2.gz SWCCFJAHSXFPRX-UHFFFAOYSA-N 0 1 350.413 2.723 20 10 FFCDMN C[N@H+](Cc1c([O-])cc(F)cc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001140583128 1035664799 /nfs/dbraw/zinc/66/47/99/1035664799.db2.gz WRHRWSYXOCOBFV-CYBMUJFWSA-N 0 1 372.412 2.738 20 10 FFCDMN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231232 1035666564 /nfs/dbraw/zinc/66/65/64/1035666564.db2.gz AASPXCHFMRYSOG-HFBAOOFYSA-N 0 1 350.846 2.588 20 10 FFCDMN O=C1N(CCn2ccnc2)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232433 1035680012 /nfs/dbraw/zinc/68/00/12/1035680012.db2.gz PUDDTJOEAXPXLN-LJQANCHMSA-N 0 1 374.872 2.509 20 10 FFCDMN COC[C@H]1CN(Cc2cc(C)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001140619660 1035740145 /nfs/dbraw/zinc/74/01/45/1035740145.db2.gz JGQQCAAIQHNFBM-MRXNPFEDSA-N 0 1 350.459 2.768 20 10 FFCDMN CO[C@@H](C)CCOc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC001227993254 1035856101 /nfs/dbraw/zinc/85/61/01/1035856101.db2.gz ACDVRSVCFBRQRR-NSHDSACASA-N 0 1 356.374 2.985 20 10 FFCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCOC[C@@H]3C)c1C2=O ZINC001227994238 1035860668 /nfs/dbraw/zinc/86/06/68/1035860668.db2.gz KFDVGRUKJUVWML-ZBEGNZNMSA-N 0 1 368.385 2.985 20 10 FFCDMN C[N@@H+](Cc1ccc(I)cc1[O-])C[C@@H]1CCCCO1 ZINC001232979194 1036210600 /nfs/dbraw/zinc/21/06/00/1036210600.db2.gz UIHMBTCNPZDQCN-ZDUSSCGKSA-N 0 1 361.223 2.998 20 10 FFCDMN C[N@H+](Cc1ccc(I)cc1[O-])C[C@@H]1CCCCO1 ZINC001232979194 1036210618 /nfs/dbraw/zinc/21/06/18/1036210618.db2.gz UIHMBTCNPZDQCN-ZDUSSCGKSA-N 0 1 361.223 2.998 20 10 FFCDMN COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233080163 1036326699 /nfs/dbraw/zinc/32/66/99/1036326699.db2.gz RNCSLNHBXSGKHC-GFCCVEGCSA-N 0 1 351.353 2.512 20 10 FFCDMN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001233077392 1036328406 /nfs/dbraw/zinc/32/84/06/1036328406.db2.gz ONXVXDDBIFDVRG-KGLIPLIRSA-N 0 1 365.405 2.616 20 10 FFCDMN CC[N@H+](CCCC(=O)OC)Cc1cc(Br)c(OC)cc1[O-] ZINC001233135178 1036385083 /nfs/dbraw/zinc/38/50/83/1036385083.db2.gz NQDCLKVBNIAFJM-UHFFFAOYSA-N 0 1 360.248 2.938 20 10 FFCDMN CC[N@@H+](CCCC(=O)OC)Cc1cc(Br)c(OC)cc1[O-] ZINC001233135178 1036385102 /nfs/dbraw/zinc/38/51/02/1036385102.db2.gz NQDCLKVBNIAFJM-UHFFFAOYSA-N 0 1 360.248 2.938 20 10 FFCDMN CCOC(=O)c1c(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2n1C ZINC001233273159 1036479936 /nfs/dbraw/zinc/47/99/36/1036479936.db2.gz QDTLBHZHKRQVLS-MRXNPFEDSA-N 0 1 371.481 2.798 20 10 FFCDMN CCOC(=O)c1c(CN(C)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2n1C ZINC001233273159 1036479940 /nfs/dbraw/zinc/47/99/40/1036479940.db2.gz QDTLBHZHKRQVLS-MRXNPFEDSA-N 0 1 371.481 2.798 20 10 FFCDMN CCN(CC)CC[N@H+](C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233305551 1036511387 /nfs/dbraw/zinc/51/13/87/1036511387.db2.gz KOGTXFUDFUMBMX-UHFFFAOYSA-N 0 1 373.291 2.715 20 10 FFCDMN CCN(CC)CC[N@@H+](C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233305551 1036511391 /nfs/dbraw/zinc/51/13/91/1036511391.db2.gz KOGTXFUDFUMBMX-UHFFFAOYSA-N 0 1 373.291 2.715 20 10 FFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001233333070 1036537888 /nfs/dbraw/zinc/53/78/88/1036537888.db2.gz ITRRVLNABMRQBI-IBGZPJMESA-N 0 1 360.408 2.953 20 10 FFCDMN O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333114 1036538721 /nfs/dbraw/zinc/53/87/21/1036538721.db2.gz KJYRODPAWQJOAV-IBGZPJMESA-N 0 1 359.376 2.694 20 10 FFCDMN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229190841 1036540678 /nfs/dbraw/zinc/54/06/78/1036540678.db2.gz PBNKUVXLHUXPCS-KRWDZBQOSA-N 0 1 354.358 2.888 20 10 FFCDMN CCOC(=O)[C@@H](Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O)C1CC1 ZINC001229190579 1036541446 /nfs/dbraw/zinc/54/14/46/1036541446.db2.gz LXMSPYZQCOELBP-FQEVSTJZSA-N 0 1 366.369 2.888 20 10 FFCDMN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(F)(F)F)cc2[O-])O1 ZINC001233453548 1036633704 /nfs/dbraw/zinc/63/37/04/1036633704.db2.gz KFEJQQDOJFHXQJ-BMFZPTHFSA-N 0 1 372.387 2.667 20 10 FFCDMN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C(F)(F)F)cc2[O-])O1 ZINC001233453548 1036633711 /nfs/dbraw/zinc/63/37/11/1036633711.db2.gz KFEJQQDOJFHXQJ-BMFZPTHFSA-N 0 1 372.387 2.667 20 10 FFCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486681 1036655196 /nfs/dbraw/zinc/65/51/96/1036655196.db2.gz XTZCPLHBTPBOOG-AAEUAGOBSA-N 0 1 352.431 2.539 20 10 FFCDMN CCOCCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1=O ZINC001277386836 1036669706 /nfs/dbraw/zinc/66/97/06/1036669706.db2.gz CONQLAVDNJWTLT-SFHVURJKSA-N 0 1 370.852 2.646 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277388700 1036684363 /nfs/dbraw/zinc/68/43/63/1036684363.db2.gz ZWFAACXKNSJCQT-ZMZPIMSZSA-N 0 1 368.836 2.729 20 10 FFCDMN COc1cc(O)c(CN2CCN(CCc3cccs3)CC2)c(OC)c1 ZINC001141028626 1036768283 /nfs/dbraw/zinc/76/82/83/1036768283.db2.gz XMYLQAIHSBNAHM-UHFFFAOYSA-N 0 1 362.495 2.831 20 10 FFCDMN c1c(CN2CCN(C[C@@H]3CCCO3)CC2)cc2c3c1CCCN3CCC2 ZINC001141076037 1036925847 /nfs/dbraw/zinc/92/58/47/1036925847.db2.gz KLBSVMMTRBGFEB-NRFANRHFSA-N 0 1 355.526 2.682 20 10 FFCDMN COc1ccc2ccc(O)c(CN3CC(N4CCOC(C)(C)C4)C3)c2c1 ZINC001234561803 1037088864 /nfs/dbraw/zinc/08/88/64/1037088864.db2.gz ATIGPOOESLPSFH-UHFFFAOYSA-N 0 1 356.466 2.849 20 10 FFCDMN COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001207094472 1037142746 /nfs/dbraw/zinc/14/27/46/1037142746.db2.gz SSPSXSFLLRMDSQ-SFHVURJKSA-N 0 1 357.397 2.851 20 10 FFCDMN OC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCC1(F)F ZINC001235057841 1037331686 /nfs/dbraw/zinc/33/16/86/1037331686.db2.gz UWKMCGDVPXGNBL-VIFPVBQESA-N 0 1 354.166 2.743 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001235057841 1037331704 /nfs/dbraw/zinc/33/17/04/1037331704.db2.gz UWKMCGDVPXGNBL-VIFPVBQESA-N 0 1 354.166 2.743 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001235057841 1037331717 /nfs/dbraw/zinc/33/17/17/1037331717.db2.gz UWKMCGDVPXGNBL-VIFPVBQESA-N 0 1 354.166 2.743 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CC(Oc2cccnc2)C1 ZINC001235064800 1037335538 /nfs/dbraw/zinc/33/55/38/1037335538.db2.gz JSFULUCTXOELNM-UHFFFAOYSA-N 0 1 353.191 2.952 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001235074458 1037343405 /nfs/dbraw/zinc/34/34/05/1037343405.db2.gz HXCNUBXGZHKEEB-GFCCVEGCSA-N 0 1 368.206 2.737 20 10 FFCDMN CC(C)(C)C(=O)N1CCN(Cc2cc(F)cc(Br)c2O)CC1 ZINC001235305633 1037464435 /nfs/dbraw/zinc/46/44/35/1037464435.db2.gz OZOUWGQSRMZBCX-UHFFFAOYSA-N 0 1 373.266 2.984 20 10 FFCDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3[O-])CC[C@@H]21 ZINC001235306447 1037464513 /nfs/dbraw/zinc/46/45/13/1037464513.db2.gz FQIPEKKVOABUNY-HZMBPMFUSA-N 0 1 371.250 2.737 20 10 FFCDMN Oc1c(Br)cc(F)cc1CN1CCn2c(nnc2C2CC2)C1 ZINC001235304538 1037464747 /nfs/dbraw/zinc/46/47/47/1037464747.db2.gz YMTBPTSERRWICN-UHFFFAOYSA-N 0 1 367.222 2.779 20 10 FFCDMN COc1ccc(CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C[C@H](C)O)cc1 ZINC001231447501 1037585509 /nfs/dbraw/zinc/58/55/09/1037585509.db2.gz VRBQIMQUJCSXRJ-AWEZNQCLSA-N 0 1 359.422 2.525 20 10 FFCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445966 1037585875 /nfs/dbraw/zinc/58/58/75/1037585875.db2.gz DHAAJSNCXKRYIS-ZDUSSCGKSA-N 0 1 364.442 2.779 20 10 FFCDMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231450768 1037588507 /nfs/dbraw/zinc/58/85/07/1037588507.db2.gz TZIJDTVPKNRIRF-DZGCQCFKSA-N 0 1 362.426 2.532 20 10 FFCDMN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231455692 1037597878 /nfs/dbraw/zinc/59/78/78/1037597878.db2.gz UCFGMAYHQQITBX-IUODEOHRSA-N 0 1 364.442 2.968 20 10 FFCDMN COC(=O)[C@H]1CCCN(Cc2c(Br)ccc(OC)c2O)C1 ZINC001231546880 1037672124 /nfs/dbraw/zinc/67/21/24/1037672124.db2.gz BMVVXJLPGAOBSH-JTQLQIEISA-N 0 1 358.232 2.548 20 10 FFCDMN CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC001207858131 1037791708 /nfs/dbraw/zinc/79/17/08/1037791708.db2.gz DZRJLYDHSVNMIU-INIZCTEOSA-N 0 1 368.449 2.725 20 10 FFCDMN Cc1sc(Cl)nc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001536924660 1070087788 /nfs/dbraw/zinc/08/77/88/1070087788.db2.gz KPDIMVGVSYZZAC-UHFFFAOYSA-N 0 1 364.902 2.787 20 10 FFCDMN COCCN1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231910100 1038000113 /nfs/dbraw/zinc/00/01/13/1038000113.db2.gz KWAAOYMUMHWSDY-IBGZPJMESA-N 0 1 368.905 2.606 20 10 FFCDMN CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231909540 1038003983 /nfs/dbraw/zinc/00/39/83/1038003983.db2.gz CBHJPDIJOJCJQS-SFHVURJKSA-N 0 1 365.861 2.633 20 10 FFCDMN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926386 1038358308 /nfs/dbraw/zinc/35/83/08/1038358308.db2.gz DSQUOCLGIBOEEK-MRXNPFEDSA-N 0 1 366.889 2.952 20 10 FFCDMN COC(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237070472 1038435412 /nfs/dbraw/zinc/43/54/12/1038435412.db2.gz NHKUBWBJFMDHKW-NSHDSACASA-N 0 1 372.259 2.938 20 10 FFCDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237070472 1038435419 /nfs/dbraw/zinc/43/54/19/1038435419.db2.gz NHKUBWBJFMDHKW-NSHDSACASA-N 0 1 372.259 2.938 20 10 FFCDMN COC(=O)C[C@@H]1CCCN(Cc2c(O)cc(OC)cc2Br)C1 ZINC001237070472 1038435430 /nfs/dbraw/zinc/43/54/30/1038435430.db2.gz NHKUBWBJFMDHKW-NSHDSACASA-N 0 1 372.259 2.938 20 10 FFCDMN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237121055 1038449138 /nfs/dbraw/zinc/44/91/38/1038449138.db2.gz IPDUOGNZUZSVSJ-GFCCVEGCSA-N 0 1 352.841 2.575 20 10 FFCDMN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237121056 1038449665 /nfs/dbraw/zinc/44/96/65/1038449665.db2.gz IPDUOGNZUZSVSJ-LBPRGKRZSA-N 0 1 352.841 2.575 20 10 FFCDMN CCOC(=O)[C@H]1CC[C@@H](N2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001257073311 1038702565 /nfs/dbraw/zinc/70/25/65/1038702565.db2.gz ZCJGWTRJNIOPSF-JKSUJKDBSA-N 0 1 362.470 2.558 20 10 FFCDMN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC001251409105 1039114415 /nfs/dbraw/zinc/11/44/15/1039114415.db2.gz KTWPICPQIPIYOY-NSHDSACASA-N 0 1 365.282 2.558 20 10 FFCDMN O=C(c1cc(O)c([O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001279073352 1039157302 /nfs/dbraw/zinc/15/73/02/1039157302.db2.gz CMDWDUDZNLUUAL-GJZGRUSLSA-N 0 1 350.846 2.983 20 10 FFCDMN COC(=O)c1cc(O)c(OC)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001251735668 1039278986 /nfs/dbraw/zinc/27/89/86/1039278986.db2.gz UECIBNJBNRTOPH-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2c([O-])cccc2Cl)C3)n(C)n1 ZINC001278490670 1039864393 /nfs/dbraw/zinc/86/43/93/1039864393.db2.gz JDUXJOHDBOXXJL-ZBFHGGJFSA-N 0 1 360.889 2.794 20 10 FFCDMN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c([O-])cccc2Cl)C3)n(C)n1 ZINC001278490670 1039864407 /nfs/dbraw/zinc/86/44/07/1039864407.db2.gz JDUXJOHDBOXXJL-ZBFHGGJFSA-N 0 1 360.889 2.794 20 10 FFCDMN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(Cl)cc2O)n(C)n1 ZINC001278558956 1041155527 /nfs/dbraw/zinc/15/55/27/1041155527.db2.gz OSAJCDBBDHUCPR-ROUUACIJSA-N 0 1 360.889 2.936 20 10 FFCDMN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc(Cl)cc2[O-])n(C)n1 ZINC001278558956 1041155539 /nfs/dbraw/zinc/15/55/39/1041155539.db2.gz OSAJCDBBDHUCPR-ROUUACIJSA-N 0 1 360.889 2.936 20 10 FFCDMN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(Cl)cc2[O-])n(C)n1 ZINC001278558956 1041155543 /nfs/dbraw/zinc/15/55/43/1041155543.db2.gz OSAJCDBBDHUCPR-ROUUACIJSA-N 0 1 360.889 2.936 20 10 FFCDMN Cc1oc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(=O)[O-] ZINC001262156590 1041581708 /nfs/dbraw/zinc/58/17/08/1041581708.db2.gz XSUDXNLYTLQPBS-UHFFFAOYSA-N 0 1 357.454 2.670 20 10 FFCDMN Cc1oc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(=O)[O-] ZINC001262156590 1041581713 /nfs/dbraw/zinc/58/17/13/1041581713.db2.gz XSUDXNLYTLQPBS-UHFFFAOYSA-N 0 1 357.454 2.670 20 10 FFCDMN COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c([O-])cccc2F)C3)CCC1 ZINC001279421266 1043095063 /nfs/dbraw/zinc/09/50/63/1043095063.db2.gz DIASYZBBJBCYRQ-GJZGRUSLSA-N 0 1 362.445 2.523 20 10 FFCDMN Cc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1Cl ZINC001279432413 1043106438 /nfs/dbraw/zinc/10/64/38/1043106438.db2.gz DYIMFZZHRKTTSI-MJGOQNOKSA-N 0 1 361.873 2.767 20 10 FFCDMN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)c2[O-])C3)[nH]1 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1043355737 /nfs/dbraw/zinc/35/57/37/1043355737.db2.gz UIMOVDUBKYLPNO-UHFFFAOYSA-N 0 1 371.222 2.715 20 10 FFCDMN CCOc1ccc(CN2CC3(CN(Cc4scnc4C)C3)C2)c(O)c1 ZINC001279671481 1043441759 /nfs/dbraw/zinc/44/17/59/1043441759.db2.gz WKFXSUZBBLCFCX-UHFFFAOYSA-N 0 1 359.495 2.874 20 10 FFCDMN Cc1ccc(CN2CCc3nc(C(=O)NCC(F)F)ccc3C2)c(O)c1 ZINC001280046794 1044134596 /nfs/dbraw/zinc/13/45/96/1044134596.db2.gz QORGMKYFLVNDHH-UHFFFAOYSA-N 0 1 361.392 2.649 20 10 FFCDMN Cc1ccc(C)c(CN2CCc3onc(C(=O)NCC(F)F)c3C2)c1O ZINC001280345877 1044634421 /nfs/dbraw/zinc/63/44/21/1044634421.db2.gz GKODVKZYHJDBEO-UHFFFAOYSA-N 0 1 365.380 2.550 20 10 FFCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC4(CCCC4)C3)cc2F)CC1 ZINC001325803220 1046644795 /nfs/dbraw/zinc/64/47/95/1046644795.db2.gz KJELDFHNEXVZFJ-UHFFFAOYSA-N 0 1 361.505 2.970 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC[C@@H]1c1ccccc1 ZINC000737764805 1048657184 /nfs/dbraw/zinc/65/71/84/1048657184.db2.gz USJYVCGXQXFVEU-CJNGLKHVSA-N 0 1 366.421 2.759 20 10 FFCDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737784980 1048657825 /nfs/dbraw/zinc/65/78/25/1048657825.db2.gz WSEBRIDTTNAIAR-OAHLLOKOSA-N 0 1 354.410 2.586 20 10 FFCDMN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCc1nc(C)n[nH]1 ZINC001291445468 1048676922 /nfs/dbraw/zinc/67/69/22/1048676922.db2.gz NLNKKRNIEJKWEP-ZDUSSCGKSA-N 0 1 369.473 2.803 20 10 FFCDMN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCc1nnc(C)[nH]1 ZINC001291445468 1048676927 /nfs/dbraw/zinc/67/69/27/1048676927.db2.gz NLNKKRNIEJKWEP-ZDUSSCGKSA-N 0 1 369.473 2.803 20 10 FFCDMN O=C(NCc1cnn(CCF)c1)NCc1cc(Cl)cc(Cl)c1O ZINC001333876247 1049154088 /nfs/dbraw/zinc/15/40/88/1049154088.db2.gz MUNGDXFQOWRCRU-UHFFFAOYSA-N 0 1 361.204 2.864 20 10 FFCDMN CN1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC001341979602 1050576247 /nfs/dbraw/zinc/57/62/47/1050576247.db2.gz IVAFEPCWNQJMLO-LWLYASCRSA-N 0 1 356.397 2.812 20 10 FFCDMN CC(C)CN1CCN(Cc2cc(Br)cc(F)c2O)[C@H](C)C1=O ZINC001308708350 1052489131 /nfs/dbraw/zinc/48/91/31/1052489131.db2.gz CAGRVIDTECAGIZ-LLVKDONJSA-N 0 1 373.266 2.983 20 10 FFCDMN Cc1nnc(N2CCN(C(C)C)CC2)n1CCCSc1nccs1 ZINC001543308566 1071443956 /nfs/dbraw/zinc/44/39/56/1071443956.db2.gz FWWWGOLHGSOMCL-UHFFFAOYSA-N 0 1 366.560 2.756 20 10 FFCDMN CCOc1ccc(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC001338277740 1055382938 /nfs/dbraw/zinc/38/29/38/1055382938.db2.gz ZOUJHTGQUYKALP-UHFFFAOYSA-N 0 1 371.393 2.662 20 10 FFCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001544524157 1071655238 /nfs/dbraw/zinc/65/52/38/1071655238.db2.gz RJQZRXMPSICOSZ-PMACEKPBSA-N 0 1 359.514 2.745 20 10 FFCDMN CNC(=O)c1cccc(CC[NH2+]Cc2c([O-])cccc2Br)c1 ZINC001200692021 1059115550 /nfs/dbraw/zinc/11/55/50/1059115550.db2.gz MDUFVFGCLLXXJG-UHFFFAOYSA-N 0 1 363.255 2.847 20 10 FFCDMN C[C@H]1CN(c2ccc(CNCc3cccc(C(N)=O)c3)cc2F)C[C@H](C)O1 ZINC001461068609 1061203240 /nfs/dbraw/zinc/20/32/40/1061203240.db2.gz WUUYVFJJLVXQLG-GJZGRUSLSA-N 0 1 371.456 2.828 20 10 FFCDMN CCOc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001461929857 1061453855 /nfs/dbraw/zinc/45/38/55/1061453855.db2.gz ORCANCFOOILFDT-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001461929857 1061453858 /nfs/dbraw/zinc/45/38/58/1061453858.db2.gz ORCANCFOOILFDT-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)c(F)c1[O-] ZINC001462491759 1061644089 /nfs/dbraw/zinc/64/40/89/1061644089.db2.gz AQCDVGIDZJYDHR-UHFFFAOYSA-N 0 1 360.401 2.644 20 10 FFCDMN C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cccc(Br)c3[O-])C[N@@H+]2C1 ZINC001528323177 1061860120 /nfs/dbraw/zinc/86/01/20/1061860120.db2.gz PFBRRMNNBWMCCB-KWCYVHTRSA-N 0 1 367.287 2.891 20 10 FFCDMN C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cccc(Br)c3[O-])C[N@H+]2C1 ZINC001528323177 1061860140 /nfs/dbraw/zinc/86/01/40/1061860140.db2.gz PFBRRMNNBWMCCB-KWCYVHTRSA-N 0 1 367.287 2.891 20 10 FFCDMN CN1CCN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2)CC1 ZINC001463540674 1062152875 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Cc1cc(CCNC(=O)OCCc2c[nH]nn2)c(C)n1-c1ccccc1 ZINC001577321111 1078337764 /nfs/dbraw/zinc/33/77/64/1078337764.db2.gz NARYAMRYDCMIQA-UHFFFAOYSA-N 0 1 353.426 2.724 20 10 FFCDMN Cc1cc(CCNC(=O)OCCc2cnn[nH]2)c(C)n1-c1ccccc1 ZINC001577321111 1078337767 /nfs/dbraw/zinc/33/77/67/1078337767.db2.gz NARYAMRYDCMIQA-UHFFFAOYSA-N 0 1 353.426 2.724 20 10 FFCDMN CC[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC001564991411 1076676356 /nfs/dbraw/zinc/67/63/56/1076676356.db2.gz RAZTUNMDVURGBA-PMACEKPBSA-N 0 1 374.529 2.585 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001587547125 1079811601 /nfs/dbraw/zinc/81/16/01/1079811601.db2.gz DYQZBKFNQFLPIX-KRWDZBQOSA-N 0 1 351.410 2.853 20 10 FFCDMN O=c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc2sccn21 ZINC000070976268 507673454 /nfs/dbraw/zinc/67/34/54/507673454.db2.gz WVKDIBJCVOZBDH-MRXNPFEDSA-N 0 1 371.462 2.643 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373511876 512370649 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FFCDMN COC1CCN(c2ccc(CN3CCC[C@@H]3C(=O)NC3CC3)cc2)CC1 ZINC000297543444 510985679 /nfs/dbraw/zinc/98/56/79/510985679.db2.gz QFIKLJKVSNJGMV-HXUWFJFHSA-N 0 1 357.498 2.545 20 10 FFCDMN Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CO)cn1 ZINC000278659158 511003598 /nfs/dbraw/zinc/00/35/98/511003598.db2.gz KITZEIGETACNBQ-JSGCOSHPSA-N 0 1 356.253 2.640 20 10 FFCDMN CC(C)S(=O)(=O)CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000290226386 511130240 /nfs/dbraw/zinc/13/02/40/511130240.db2.gz SJZNRQXTRCFOIR-UHFFFAOYSA-N 0 1 352.422 2.684 20 10 FFCDMN CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291686563 511298002 /nfs/dbraw/zinc/29/80/02/511298002.db2.gz XROBUAJIEIVHFV-LBPRGKRZSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291686563 511298004 /nfs/dbraw/zinc/29/80/04/511298004.db2.gz XROBUAJIEIVHFV-LBPRGKRZSA-N 0 1 360.376 2.681 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(CO)c1 ZINC000366000158 511776867 /nfs/dbraw/zinc/77/68/67/511776867.db2.gz JYYLPTZPRHHOPK-SFHVURJKSA-N 0 1 374.868 2.932 20 10 FFCDMN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000366321592 511958340 /nfs/dbraw/zinc/95/83/40/511958340.db2.gz WTATTZKAQZRJLI-IEBWSBKVSA-N 0 1 373.428 2.785 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000374450526 512838794 /nfs/dbraw/zinc/83/87/94/512838794.db2.gz DDOODTPAZOBBTJ-SFHVURJKSA-N 0 1 369.469 2.718 20 10 FFCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c(C)n1-c1ccccn1 ZINC000370298863 512865672 /nfs/dbraw/zinc/86/56/72/512865672.db2.gz FSLNXMDZKCYGMS-OAHLLOKOSA-N 0 1 350.426 2.627 20 10 FFCDMN Cn1cc([C@@H]2CC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)cn1 ZINC000739026063 600214461 /nfs/dbraw/zinc/21/44/61/600214461.db2.gz IMFDLZUHPSZDGP-CQSZACIVSA-N 0 1 351.406 2.967 20 10 FFCDMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1O ZINC000833549235 605077578 /nfs/dbraw/zinc/07/75/78/605077578.db2.gz PQPGBJLDZJBRMK-INIZCTEOSA-N 0 1 370.449 2.889 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC000824010734 608492800 /nfs/dbraw/zinc/49/28/00/608492800.db2.gz RRBMJOSYAGMDSF-JTQLQIEISA-N 0 1 355.373 2.765 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(C)cc(C)c2O)cc1 ZINC000164425269 728966088 /nfs/dbraw/zinc/96/60/88/728966088.db2.gz GKQSDNNPMIUXHE-UHFFFAOYSA-N 0 1 362.495 2.728 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000177348467 729134373 /nfs/dbraw/zinc/13/43/73/729134373.db2.gz MNPSEHLAJVWHOE-INIZCTEOSA-N 0 1 352.862 2.545 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000177348467 729134374 /nfs/dbraw/zinc/13/43/74/729134374.db2.gz MNPSEHLAJVWHOE-INIZCTEOSA-N 0 1 352.862 2.545 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1O ZINC000184869473 729335346 /nfs/dbraw/zinc/33/53/46/729335346.db2.gz PUQNCCJRHNJSFP-UHFFFAOYSA-N 0 1 359.363 2.958 20 10 FFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779196010 738442681 /nfs/dbraw/zinc/44/26/81/738442681.db2.gz MVODMGAAXRULME-QMMMGPOBSA-N 0 1 354.731 2.685 20 10 FFCDMN C[C@@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858090632 730416297 /nfs/dbraw/zinc/41/62/97/730416297.db2.gz PHIRRFKJQIOSCB-BETUJISGSA-N 0 1 357.292 2.744 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000858165734 730418461 /nfs/dbraw/zinc/41/84/61/730418461.db2.gz YWMKINGKXOXFMT-BJJXKVORSA-N 0 1 367.287 2.891 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1[O-] ZINC000858565491 730428931 /nfs/dbraw/zinc/42/89/31/730428931.db2.gz QSAQYUWUJCJKLH-RHSMWYFYSA-N 0 1 361.873 2.992 20 10 FFCDMN C[N@H+](Cc1c([O-])cccc1Br)CC(C)(C)CN1CCOCC1 ZINC000862249718 730681901 /nfs/dbraw/zinc/68/19/01/730681901.db2.gz AHLVMDNWRODHIC-UHFFFAOYSA-N 0 1 371.319 2.945 20 10 FFCDMN C[N@@H+](Cc1c([O-])cccc1Br)CC(C)(C)CN1CCOCC1 ZINC000862249718 730681902 /nfs/dbraw/zinc/68/19/02/730681902.db2.gz AHLVMDNWRODHIC-UHFFFAOYSA-N 0 1 371.319 2.945 20 10 FFCDMN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253058 730682644 /nfs/dbraw/zinc/68/26/44/730682644.db2.gz KPYHHMLHQAEWJS-BXUZGUMPSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2c([O-])cccc2Br)CN1 ZINC000862253058 730682646 /nfs/dbraw/zinc/68/26/46/730682646.db2.gz KPYHHMLHQAEWJS-BXUZGUMPSA-N 0 1 353.260 2.645 20 10 FFCDMN CN(C)c1cc(F)c(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000862331829 730689054 /nfs/dbraw/zinc/68/90/54/730689054.db2.gz ATIWBBUTVOYVRG-JTQLQIEISA-N 0 1 365.346 2.531 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368408 730693013 /nfs/dbraw/zinc/69/30/13/730693013.db2.gz HETDUFGOVSMTGJ-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368408 730693015 /nfs/dbraw/zinc/69/30/15/730693015.db2.gz HETDUFGOVSMTGJ-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN O=C1OCCN1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862419254 730699773 /nfs/dbraw/zinc/69/97/73/730699773.db2.gz XCWGWSCRRFQMGT-UHFFFAOYSA-N 0 1 355.232 2.571 20 10 FFCDMN Cc1cc(C(=O)NCCN2CC[C@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000863832080 730811484 /nfs/dbraw/zinc/81/14/84/730811484.db2.gz UHFQWIRCFHXYEN-KRWDZBQOSA-N 0 1 361.873 2.544 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865682914 730985263 /nfs/dbraw/zinc/98/52/63/730985263.db2.gz SHDVTTPWQRMCPS-LLVKDONJSA-N 0 1 365.153 2.639 20 10 FFCDMN O=C(CCC1(O)CCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000866764645 731096776 /nfs/dbraw/zinc/09/67/76/731096776.db2.gz PMYFTWGZDUCEEE-INIZCTEOSA-N 0 1 366.889 2.821 20 10 FFCDMN CCN1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC000925980379 738552768 /nfs/dbraw/zinc/55/27/68/738552768.db2.gz FIGCDPMBUWPIJG-LBPRGKRZSA-N 0 1 360.241 2.509 20 10 FFCDMN COc1nsc(CNCc2ccc(OC)cc2O)c1Br ZINC000877494154 732372589 /nfs/dbraw/zinc/37/25/89/732372589.db2.gz UGGNTMOLHDKUAC-UHFFFAOYSA-N 0 1 359.245 2.918 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000878872124 732607083 /nfs/dbraw/zinc/60/70/83/732607083.db2.gz ACCBDFLQMSXTFI-WMZOPIPTSA-N 0 1 351.418 2.534 20 10 FFCDMN Cc1nccc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1Cl ZINC000884693536 733550321 /nfs/dbraw/zinc/55/03/21/733550321.db2.gz DACKAEDNRPBLAS-UHFFFAOYSA-N 0 1 358.873 2.779 20 10 FFCDMN CCN(Cc1cnc2n1CCOC2)Cc1cc(Br)ccc1O ZINC000892195290 734527321 /nfs/dbraw/zinc/52/73/21/734527321.db2.gz OPOTYPNNBPRHFA-UHFFFAOYSA-N 0 1 366.259 2.904 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000893995361 734783951 /nfs/dbraw/zinc/78/39/51/734783951.db2.gz VLGTVFVHIUCVQI-SNVBAGLBSA-N 0 1 360.223 2.879 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894432881 734857145 /nfs/dbraw/zinc/85/71/45/734857145.db2.gz VXBWDUCKYIFLPJ-OLZOCXBDSA-N 0 1 360.223 2.878 20 10 FFCDMN COc1ccc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c(O)c1OC ZINC000894760780 734912203 /nfs/dbraw/zinc/91/22/03/734912203.db2.gz MKOAIVSVDMKMGM-GFCCVEGCSA-N 0 1 362.392 2.725 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1COCCO1 ZINC000895260095 734982982 /nfs/dbraw/zinc/98/29/82/734982982.db2.gz OBQOTGWYNKEJNO-LLVKDONJSA-N 0 1 350.640 2.655 20 10 FFCDMN COC(=O)C[C@@H]1CSCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000740856129 735092307 /nfs/dbraw/zinc/09/23/07/735092307.db2.gz NQPZBJZXTCACER-CQSZACIVSA-N 0 1 353.484 2.876 20 10 FFCDMN COC(=O)c1cnc(CC[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000896929321 735188553 /nfs/dbraw/zinc/18/85/53/735188553.db2.gz BXHKJZMENFKJOT-UHFFFAOYSA-N 0 1 371.256 2.730 20 10 FFCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000749972293 735764358 /nfs/dbraw/zinc/76/43/58/735764358.db2.gz NBMDRKRSTOJUNB-CYBMUJFWSA-N 0 1 350.415 2.562 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756447777 736332314 /nfs/dbraw/zinc/33/23/14/736332314.db2.gz YKIKIDDVBMJMPD-GFCCVEGCSA-N 0 1 368.886 2.946 20 10 FFCDMN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551691 736341894 /nfs/dbraw/zinc/34/18/94/736341894.db2.gz WMPKBGGYFRDXBY-VXGBXAGGSA-N 0 1 374.312 2.937 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000761996805 736780778 /nfs/dbraw/zinc/78/07/78/736780778.db2.gz ZCFGHFMYTITFOF-UHFFFAOYSA-N 0 1 351.380 2.709 20 10 FFCDMN C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCC1 ZINC000764790957 737050078 /nfs/dbraw/zinc/05/00/78/737050078.db2.gz LCCQSKZLAYZGGL-GFCCVEGCSA-N 0 1 370.291 2.828 20 10 FFCDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765332676 737109511 /nfs/dbraw/zinc/10/95/11/737109511.db2.gz JFOQYHZTFILHHH-AWEZNQCLSA-N 0 1 353.894 2.696 20 10 FFCDMN C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369108 737195391 /nfs/dbraw/zinc/19/53/91/737195391.db2.gz NFKNGBXIBOVERP-IUODEOHRSA-N 0 1 368.861 2.627 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769528702 737539738 /nfs/dbraw/zinc/53/97/38/737539738.db2.gz XUBQQEMJJNHGHH-OAHLLOKOSA-N 0 1 356.260 2.925 20 10 FFCDMN CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775552917 738101075 /nfs/dbraw/zinc/10/10/75/738101075.db2.gz YYYIWEYFRPBFDK-LSDHHAIUSA-N 0 1 358.276 2.983 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Br)ccc1O ZINC000776014067 738152090 /nfs/dbraw/zinc/15/20/90/738152090.db2.gz QKRVXNLGKDIBFA-KBPBESRZSA-N 0 1 372.259 2.697 20 10 FFCDMN CC(C)CN1C[C@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN2C1=O ZINC000787288833 739123466 /nfs/dbraw/zinc/12/34/66/739123466.db2.gz MUBOYQUXMAKLNH-CQSZACIVSA-N 0 1 355.841 2.763 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)c1[O-] ZINC000794716186 739923286 /nfs/dbraw/zinc/92/32/86/739923286.db2.gz BWGPNEDGOLSAPM-PIGZYNQJSA-N 0 1 360.841 2.995 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccccc2O)c1 ZINC000795850153 740070840 /nfs/dbraw/zinc/07/08/40/740070840.db2.gz HFGUEANIMLWPFC-UHFFFAOYSA-N 0 1 360.750 2.571 20 10 FFCDMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc12 ZINC000808114130 741187756 /nfs/dbraw/zinc/18/77/56/741187756.db2.gz RIJVLJQUTGNFHP-UHFFFAOYSA-N 0 1 370.793 2.576 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708035 741334686 /nfs/dbraw/zinc/33/46/86/741334686.db2.gz WEDWXBHVTMIULQ-HOTGVXAUSA-N 0 1 368.861 2.915 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708035 741334688 /nfs/dbraw/zinc/33/46/88/741334688.db2.gz WEDWXBHVTMIULQ-HOTGVXAUSA-N 0 1 368.861 2.915 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000809777658 741342710 /nfs/dbraw/zinc/34/27/10/741342710.db2.gz DGJNZNWFFMRYLY-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CCn1ccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813488744 741724827 /nfs/dbraw/zinc/72/48/27/741724827.db2.gz DPYMCBCEYYPXAJ-HNNXBMFYSA-N 0 1 362.861 2.656 20 10 FFCDMN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816505443 742036160 /nfs/dbraw/zinc/03/61/60/742036160.db2.gz WTKFGCZYSUCCCK-OAHLLOKOSA-N 0 1 355.885 2.787 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)Cc1ccccc1 ZINC000816624721 742048294 /nfs/dbraw/zinc/04/82/94/742048294.db2.gz FRAOBADJIUJXRH-OAHLLOKOSA-N 0 1 350.802 2.989 20 10 FFCDMN COC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1C ZINC000816682019 742053137 /nfs/dbraw/zinc/05/31/37/742053137.db2.gz MPYVPSXTRLYLRR-UHFFFAOYSA-N 0 1 357.193 2.754 20 10 FFCDMN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCc1c[nH]nn1 ZINC000821069197 742583648 /nfs/dbraw/zinc/58/36/48/742583648.db2.gz DCJWMCROYBFWCW-UHFFFAOYSA-N 0 1 357.439 2.794 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])C12CCC[NH+](CCC1)C2 ZINC000822459060 742736835 /nfs/dbraw/zinc/73/68/35/742736835.db2.gz OLHYSIBQRABXJF-UHFFFAOYSA-N 0 1 353.260 2.647 20 10 FFCDMN CCCN(Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824521069 743098479 /nfs/dbraw/zinc/09/84/79/743098479.db2.gz BKJUSTYFGKRKKJ-CYBMUJFWSA-N 0 1 362.289 2.554 20 10 FFCDMN CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824556435 743104199 /nfs/dbraw/zinc/10/41/99/743104199.db2.gz TZEAFRCQLVKNGB-UHFFFAOYSA-N 0 1 360.907 2.648 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000825126420 743215585 /nfs/dbraw/zinc/21/55/85/743215585.db2.gz QKYMPPCEQSZFKR-CQSZACIVSA-N 0 1 363.259 2.703 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825290893 743243308 /nfs/dbraw/zinc/24/33/08/743243308.db2.gz AMAMDKREZXJDSH-OLZOCXBDSA-N 0 1 362.289 2.600 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000825703757 743314461 /nfs/dbraw/zinc/31/44/61/743314461.db2.gz DUGMQDHXWKBRKQ-OAHLLOKOSA-N 0 1 366.259 2.823 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000825779275 743325877 /nfs/dbraw/zinc/32/58/77/743325877.db2.gz IZPHJCBVDAPNTM-AWEZNQCLSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000825779275 743325885 /nfs/dbraw/zinc/32/58/85/743325885.db2.gz IZPHJCBVDAPNTM-AWEZNQCLSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000826029370 743358343 /nfs/dbraw/zinc/35/83/43/743358343.db2.gz FBNRXPLKJVYTJT-HNNXBMFYSA-N 0 1 354.219 2.987 20 10 FFCDMN COc1cc(Cl)cc(C[N@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827519832 743592890 /nfs/dbraw/zinc/59/28/90/743592890.db2.gz VDNBSEMPPVRAAA-UHFFFAOYSA-N 0 1 354.878 2.598 20 10 FFCDMN COc1cc(Cl)cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827519832 743592893 /nfs/dbraw/zinc/59/28/93/743592893.db2.gz VDNBSEMPPVRAAA-UHFFFAOYSA-N 0 1 354.878 2.598 20 10 FFCDMN CO[C@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000827619127 744949435 /nfs/dbraw/zinc/94/94/35/744949435.db2.gz XPTSNHYAPHLVFA-GFCCVEGCSA-N 0 1 354.255 2.543 20 10 FFCDMN Cc1cc(CN2CC[C@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830002533 745292059 /nfs/dbraw/zinc/29/20/59/745292059.db2.gz LSGINKOVBIIESF-SFHVURJKSA-N 0 1 350.528 2.852 20 10 FFCDMN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1[O-] ZINC000834894151 745921827 /nfs/dbraw/zinc/92/18/27/745921827.db2.gz ZOYQJIZXOWISNA-FPMFFAJLSA-N 0 1 355.276 2.669 20 10 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O=C(c1cc(F)cc2nn[nH]c21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278368647 510991002 /nfs/dbraw/zinc/99/10/02/510991002.db2.gz MFQQKHBJEDEGDM-AWEZNQCLSA-N 0 1 370.384 2.624 20 10 FFCDMN O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000278697544 511004607 /nfs/dbraw/zinc/00/46/07/511004607.db2.gz RFHZMTLTLYHHSH-UHFFFAOYSA-N 0 1 358.413 2.674 20 10 FFCDMN O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000278781407 511007697 /nfs/dbraw/zinc/00/76/97/511007697.db2.gz OIDKGAROJVRLBP-MRXNPFEDSA-N 0 1 360.479 2.545 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1[O-] ZINC000287238332 511045018 /nfs/dbraw/zinc/04/50/18/511045018.db2.gz YQSVVRGBSMQOKR-MNOVXSKESA-N 0 1 362.289 2.630 20 10 FFCDMN COc1c([O-])c(CN(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000289420910 511100712 /nfs/dbraw/zinc/10/07/12/511100712.db2.gz JEJUDFREAHUGKU-UHFFFAOYSA-N 0 1 365.455 2.934 20 10 FFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294640932 511129316 /nfs/dbraw/zinc/12/93/16/511129316.db2.gz KFJGYVMAUWZDPX-MRVPVSSYSA-N 0 1 354.731 2.685 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162954 511640238 /nfs/dbraw/zinc/64/02/38/511640238.db2.gz YWMXSJYFKOZQJW-UTKZUKDTSA-N 0 1 360.498 2.682 20 10 FFCDMN COC1CCN(c2ccc(CN3CCO[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162954 511640244 /nfs/dbraw/zinc/64/02/44/511640244.db2.gz YWMXSJYFKOZQJW-UTKZUKDTSA-N 0 1 360.498 2.682 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729874 512476410 /nfs/dbraw/zinc/47/64/10/512476410.db2.gz IHPZYKLPRPNPQL-LJQANCHMSA-N 0 1 356.378 2.940 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729873 512476440 /nfs/dbraw/zinc/47/64/40/512476440.db2.gz IHPZYKLPRPNPQL-IBGZPJMESA-N 0 1 356.378 2.940 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@]23CCOC3)C1 ZINC000422064392 513557785 /nfs/dbraw/zinc/55/77/85/513557785.db2.gz FHPJMGYUYHZOFC-QFIPXVFZSA-N 0 1 367.493 2.799 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCOC2)C1 ZINC000436038070 513742781 /nfs/dbraw/zinc/74/27/81/513742781.db2.gz KRLYMOPQJJUZJW-OAQYLSRUSA-N 0 1 355.482 2.703 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000471590175 514944822 /nfs/dbraw/zinc/94/48/22/514944822.db2.gz UXWOCYTUFIZHME-HOTGVXAUSA-N 0 1 372.513 2.785 20 10 FFCDMN CO[C@H](C)CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000553764191 517891730 /nfs/dbraw/zinc/89/17/30/517891730.db2.gz RROWFNQGPMRSDR-MRXNPFEDSA-N 0 1 357.498 2.901 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000740098747 600281733 /nfs/dbraw/zinc/28/17/33/600281733.db2.gz UAMMNHLRUHYLNJ-HNNXBMFYSA-N 0 1 368.433 2.830 20 10 FFCDMN COCCOC[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000831763768 600717360 /nfs/dbraw/zinc/71/73/60/600717360.db2.gz WZCDMSVYWUGUDZ-AWEZNQCLSA-N 0 1 359.422 2.729 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317908 600971398 /nfs/dbraw/zinc/97/13/98/600971398.db2.gz AVHFLPXKMZHIQX-INIZCTEOSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317908 600971400 /nfs/dbraw/zinc/97/14/00/600971400.db2.gz AVHFLPXKMZHIQX-INIZCTEOSA-N 0 1 370.449 2.679 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3ccc(F)cc3C(=O)[O-])CC2)cc1F ZINC000832383490 601551732 /nfs/dbraw/zinc/55/17/32/601551732.db2.gz IUSNHHCOVPUILJ-UHFFFAOYSA-N 0 1 362.376 2.994 20 10 FFCDMN COc1cc(O)c(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cc1OC ZINC000833887264 605499406 /nfs/dbraw/zinc/49/94/06/605499406.db2.gz CYWGGOCBONOYEF-UHFFFAOYSA-N 0 1 350.415 2.516 20 10 FFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000833897911 605993098 /nfs/dbraw/zinc/99/30/98/605993098.db2.gz PGAZCMDTQOEEND-ZWNOBZJWSA-N 0 1 357.248 2.941 20 10 FFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(Cl)c1 ZINC000743260083 735286084 /nfs/dbraw/zinc/28/60/84/735286084.db2.gz UDNRTZNLOKNPNX-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1[O-] ZINC000158530567 728890272 /nfs/dbraw/zinc/89/02/72/728890272.db2.gz QNEZOFICXMFCJG-UHFFFAOYSA-N 0 1 363.801 2.982 20 10 FFCDMN CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H]1CCSC1 ZINC000160978037 728927698 /nfs/dbraw/zinc/92/76/98/728927698.db2.gz IZAONBFYIHMBIT-MRXNPFEDSA-N 0 1 360.479 2.951 20 10 FFCDMN COCCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000127259819 728705866 /nfs/dbraw/zinc/70/58/66/728705866.db2.gz WVTNRNVIBRMABG-MRXNPFEDSA-N 0 1 366.889 2.943 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000177163615 729129955 /nfs/dbraw/zinc/12/99/55/729129955.db2.gz XVLWBNVEYLDRGN-HNNXBMFYSA-N 0 1 366.889 2.792 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@]12CCCO2 ZINC000759170321 736552860 /nfs/dbraw/zinc/55/28/60/736552860.db2.gz AUHLBVBFLLAZBH-XHSDSOJGSA-N 0 1 356.260 2.971 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000305892527 729738663 /nfs/dbraw/zinc/73/86/63/729738663.db2.gz ZUJZXQCCJOIADX-GFCCVEGCSA-N 0 1 356.850 2.771 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000382768193 729835268 /nfs/dbraw/zinc/83/52/68/729835268.db2.gz AKJKTASLWSEBAP-AWEZNQCLSA-N 0 1 356.850 2.771 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000856594082 730346482 /nfs/dbraw/zinc/34/64/82/730346482.db2.gz DOXKYFFUUQJMCM-QGZVFWFLSA-N 0 1 369.824 2.700 20 10 FFCDMN Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858175107 730418712 /nfs/dbraw/zinc/41/87/12/730418712.db2.gz HMMMOYVMQYRLKA-IAQYHMDHSA-N 0 1 366.259 2.898 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(C2CCC2)C1=O ZINC000859042345 730440353 /nfs/dbraw/zinc/44/03/53/730440353.db2.gz HNXSPNSAQNEUNS-ZDUSSCGKSA-N 0 1 372.252 2.652 20 10 FFCDMN [O-]c1cccc(Br)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000862243629 730680704 /nfs/dbraw/zinc/68/07/04/730680704.db2.gz OOCOQHRNCONFLH-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247768 730681358 /nfs/dbraw/zinc/68/13/58/730681358.db2.gz BVGHVLYZSBUWSH-QZTJIDSGSA-N 0 1 354.441 2.783 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000862253779 730682789 /nfs/dbraw/zinc/68/27/89/730682789.db2.gz SJRMTMNYWDAFBW-GFCCVEGCSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000862253779 730682790 /nfs/dbraw/zinc/68/27/90/730682790.db2.gz SJRMTMNYWDAFBW-GFCCVEGCSA-N 0 1 351.248 2.658 20 10 FFCDMN CC1(C)CN(Cc2c(O)cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862350929 730690425 /nfs/dbraw/zinc/69/04/25/730690425.db2.gz JNIPMGUGPBOZJL-MRXNPFEDSA-N 0 1 356.260 2.925 20 10 FFCDMN CO[C@H]1CCn2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nc2C1 ZINC000868357296 731285930 /nfs/dbraw/zinc/28/59/30/731285930.db2.gz SUWILFXSDNPFIJ-NSHDSACASA-N 0 1 370.236 2.787 20 10 FFCDMN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(C)C)nc1 ZINC000872375860 731758775 /nfs/dbraw/zinc/75/87/75/731758775.db2.gz VNFSIGYRGMEQOR-UHFFFAOYSA-N 0 1 352.412 2.522 20 10 FFCDMN COc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795794 731832534 /nfs/dbraw/zinc/83/25/34/731832534.db2.gz NZGNEHSTVUCHOZ-DZGCQCFKSA-N 0 1 367.511 2.565 20 10 FFCDMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048114 732001268 /nfs/dbraw/zinc/00/12/68/732001268.db2.gz KEEOTEDDCNGVLZ-JQWIXIFHSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048114 732001269 /nfs/dbraw/zinc/00/12/69/732001269.db2.gz KEEOTEDDCNGVLZ-JQWIXIFHSA-N 0 1 367.808 2.609 20 10 FFCDMN CC(=O)NCC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000877520983 732379196 /nfs/dbraw/zinc/37/91/96/732379196.db2.gz NFIXFWYXYCAQGW-UHFFFAOYSA-N 0 1 355.276 2.939 20 10 FFCDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798772 732434601 /nfs/dbraw/zinc/43/46/01/732434601.db2.gz BYRWGFJBPOGPBT-ILXRZTDVSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798772 732434603 /nfs/dbraw/zinc/43/46/03/732434603.db2.gz BYRWGFJBPOGPBT-ILXRZTDVSA-N 0 1 366.889 2.677 20 10 FFCDMN OC1CCN(c2ccc(CN3CCO[C@@H](C(F)(F)F)CC3)cc2)CC1 ZINC000877823259 732442310 /nfs/dbraw/zinc/44/23/10/732442310.db2.gz WSTBFPQWSDAIIE-QGZVFWFLSA-N 0 1 358.404 2.801 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000781907756 738670860 /nfs/dbraw/zinc/67/08/60/738670860.db2.gz DYORFNOJUWGLSF-UHFFFAOYSA-N 0 1 369.303 2.760 20 10 FFCDMN CO[C@@H](C)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000782739711 738753069 /nfs/dbraw/zinc/75/30/69/738753069.db2.gz RQZFHOSVKADWOW-BBRMVZONSA-N 0 1 354.878 2.941 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccns3)cc2F)CC1 ZINC000889123096 734142122 /nfs/dbraw/zinc/14/21/22/734142122.db2.gz JECBOHZQSLBFMX-UHFFFAOYSA-N 0 1 363.462 2.746 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCCC12OCCO2 ZINC000889527864 734187637 /nfs/dbraw/zinc/18/76/37/734187637.db2.gz 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CCCN(CCC)c1ccc(CN(C)CCN2CCCS2(=O)=O)cc1 ZINC000769555962 737541846 /nfs/dbraw/zinc/54/18/46/737541846.db2.gz HZVWKJJXJQOLDU-UHFFFAOYSA-N 0 1 367.559 2.780 20 10 FFCDMN CC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000771067235 737691478 /nfs/dbraw/zinc/69/14/78/737691478.db2.gz UJKSREUJFZNGEY-INIZCTEOSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000921446344 737985860 /nfs/dbraw/zinc/98/58/60/737985860.db2.gz GKRKHJUACUWXSV-STQMWFEESA-N 0 1 372.585 2.504 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000775286443 738078802 /nfs/dbraw/zinc/07/88/02/738078802.db2.gz JADJXFXRRWDLCR-UHFFFAOYSA-N 0 1 353.371 2.736 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527286 738099408 /nfs/dbraw/zinc/09/94/08/738099408.db2.gz PWQIXNIILMTWQB-JKSUJKDBSA-N 0 1 352.862 2.866 20 10 FFCDMN CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000922401129 738138519 /nfs/dbraw/zinc/13/85/19/738138519.db2.gz HHEOHFDCZHPVNG-UKRRQHHQSA-N 0 1 366.259 2.991 20 10 FFCDMN C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980906 742226423 /nfs/dbraw/zinc/22/64/23/742226423.db2.gz FPYQQJSZWJUXBR-KOLCDFICSA-N 0 1 363.683 2.837 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ncnn2-c2ccccc2)c1[O-] ZINC000785526816 738974167 /nfs/dbraw/zinc/97/41/67/738974167.db2.gz PERUGYBUTLJPPF-UHFFFAOYSA-N 0 1 359.773 2.824 20 10 FFCDMN CCOC(=O)[C@@H](NCc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000789581082 739369921 /nfs/dbraw/zinc/36/99/21/739369921.db2.gz OEMIOCCOXRHUKI-OCCSQVGLSA-N 0 1 372.259 2.603 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000790929757 739515079 /nfs/dbraw/zinc/51/50/79/739515079.db2.gz BFILJJFVMUQXGX-LBPRGKRZSA-N 0 1 356.260 2.925 20 10 FFCDMN COc1ccc(CNCc2c(C)nn(C)c2OCC(F)(F)F)c(O)c1 ZINC000793387453 739776047 /nfs/dbraw/zinc/77/60/47/739776047.db2.gz DVKQDZFWWWLKJV-UHFFFAOYSA-N 0 1 359.348 2.674 20 10 FFCDMN C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000797070259 740209210 /nfs/dbraw/zinc/20/92/10/740209210.db2.gz KAHNSIWKTLWNPK-UWVGGRQHSA-N 0 1 362.289 2.771 20 10 FFCDMN Fc1cc(CNCc2cc(C(F)(F)F)n[nH]2)ccc1N1CCOCC1 ZINC000799333621 740409962 /nfs/dbraw/zinc/40/99/62/740409962.db2.gz DAOZQVGJBCHTEG-UHFFFAOYSA-N 0 1 358.339 2.694 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC[C@@H]1CCCO1 ZINC000805011945 740925525 /nfs/dbraw/zinc/92/55/25/740925525.db2.gz YVHOYTVXRQMKTF-HOTGVXAUSA-N 0 1 368.861 2.915 20 10 FFCDMN C[C@H](CN1CCCC1=O)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138255 740944367 /nfs/dbraw/zinc/94/43/67/740944367.db2.gz PEDKDUHPEHHIQB-SECBINFHSA-N 0 1 360.241 2.509 20 10 FFCDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805199311 740949372 /nfs/dbraw/zinc/94/93/72/740949372.db2.gz RJRWUAMWVAEQME-OTYXRUKQSA-N 0 1 358.269 2.981 20 10 FFCDMN CN(C)c1nccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000805261794 740955142 /nfs/dbraw/zinc/95/51/42/740955142.db2.gz NLWLYBXOUSOIPJ-UHFFFAOYSA-N 0 1 370.240 2.554 20 10 FFCDMN Cc1cc(C)n2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nc2n1 ZINC000807838731 741162928 /nfs/dbraw/zinc/16/29/28/741162928.db2.gz QJBKOWROYXJVHU-UHFFFAOYSA-N 0 1 366.208 2.684 20 10 FFCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809714001 741335680 /nfs/dbraw/zinc/33/56/80/741335680.db2.gz UBXQCDNYVKNWCY-ZDUSSCGKSA-N 0 1 355.822 2.835 20 10 FFCDMN COCCOCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809789934 741343876 /nfs/dbraw/zinc/34/38/76/741343876.db2.gz OEFWVGQJXWQDEO-UHFFFAOYSA-N 0 1 351.447 2.680 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210076 741398091 /nfs/dbraw/zinc/39/80/91/741398091.db2.gz MUMUTJMPATVHLD-ZWNOBZJWSA-N 0 1 351.390 2.886 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3cnn(C)c3Cl)cc2F)CC1 ZINC000815124054 741904477 /nfs/dbraw/zinc/90/44/77/741904477.db2.gz NFPBDQMJNKRVCE-UHFFFAOYSA-N 0 1 365.884 2.644 20 10 FFCDMN CN(C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccsc1 ZINC000819163971 742346892 /nfs/dbraw/zinc/34/68/92/742346892.db2.gz CYHNKUVDMDCMNO-OAHLLOKOSA-N 0 1 359.451 2.521 20 10 FFCDMN CC[C@](C)(C(=O)OC)N(Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC000822503348 742745085 /nfs/dbraw/zinc/74/50/85/742745085.db2.gz GNOLCOLMWPYQKW-LJQANCHMSA-N 0 1 351.443 2.963 20 10 FFCDMN CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824547973 743102387 /nfs/dbraw/zinc/10/23/87/743102387.db2.gz GHKIMJVHYBAXAY-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824571879 743109763 /nfs/dbraw/zinc/10/97/63/743109763.db2.gz PTBJXCXIFWPPFI-JTQLQIEISA-N 0 1 362.829 2.502 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824649739 743122584 /nfs/dbraw/zinc/12/25/84/743122584.db2.gz HTKNFCAYNZNCIP-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824649739 743122586 /nfs/dbraw/zinc/12/25/86/743122586.db2.gz HTKNFCAYNZNCIP-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN O=C1CCCN1[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824767965 743144428 /nfs/dbraw/zinc/14/44/28/743144428.db2.gz CNRFSNBNZHQOPQ-AWEZNQCLSA-N 0 1 353.260 2.742 20 10 FFCDMN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825045851 743201068 /nfs/dbraw/zinc/20/10/68/743201068.db2.gz MRQXJWVDAQBFKS-BBRMVZONSA-N 0 1 366.259 2.898 20 10 FFCDMN Oc1ccc(Br)cc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124676 743214067 /nfs/dbraw/zinc/21/40/67/743214067.db2.gz VUYIRQIBEQAMLU-UFBFGSQYSA-N 0 1 354.166 2.900 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1Cl ZINC000825259117 743237218 /nfs/dbraw/zinc/23/72/18/743237218.db2.gz GONGTTJZGBCFQP-CQSZACIVSA-N 0 1 359.857 2.821 20 10 FFCDMN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825291476 743242810 /nfs/dbraw/zinc/24/28/10/743242810.db2.gz LNUMZAUPQAEOJG-RISCZKNCSA-N 0 1 355.276 2.891 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000825885909 743338389 /nfs/dbraw/zinc/33/83/89/743338389.db2.gz LCLUEHBTQMQSOA-WFASDCNBSA-N 0 1 360.907 2.552 20 10 FFCDMN COC(=O)c1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)s1 ZINC000835057695 745941579 /nfs/dbraw/zinc/94/15/79/745941579.db2.gz XZTZQLBMBLFEES-UHFFFAOYSA-N 0 1 362.451 2.571 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)[C@H](C)C2)[nH]n1 ZINC000835072932 745945205 /nfs/dbraw/zinc/94/52/05/745945205.db2.gz HJYALVUUOXRRFZ-LLVKDONJSA-N 0 1 366.824 2.563 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)[C@H](C)C2)n[nH]1 ZINC000835072932 745945207 /nfs/dbraw/zinc/94/52/07/745945207.db2.gz HJYALVUUOXRRFZ-LLVKDONJSA-N 0 1 366.824 2.563 20 10 FFCDMN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938279 747234715 /nfs/dbraw/zinc/23/47/15/747234715.db2.gz APGUZSWXAZCLSE-GFCCVEGCSA-N 0 1 364.833 2.569 20 10 FFCDMN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938279 747234720 /nfs/dbraw/zinc/23/47/20/747234720.db2.gz APGUZSWXAZCLSE-GFCCVEGCSA-N 0 1 364.833 2.569 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746620 747447470 /nfs/dbraw/zinc/44/74/70/747447470.db2.gz JDZKBLJJRFJASY-ZDUSSCGKSA-N 0 1 368.886 2.983 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Cl)cc1[O-] ZINC000842884718 747714377 /nfs/dbraw/zinc/71/43/77/747714377.db2.gz UOUMDXGFIXTHSC-YPMHNXCESA-N 0 1 367.854 2.931 20 10 FFCDMN [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843121700 747776903 /nfs/dbraw/zinc/77/69/03/747776903.db2.gz HQWJLLKWIYRNAO-CYBMUJFWSA-N 0 1 360.285 2.519 20 10 FFCDMN Cn1nccc1[C@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000843432936 747835475 /nfs/dbraw/zinc/83/54/75/747835475.db2.gz RNKMIMYEWQWBEH-AWEZNQCLSA-N 0 1 351.834 2.952 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000845832351 748333810 /nfs/dbraw/zinc/33/38/10/748333810.db2.gz CEBMRQFNHKQWDF-OIQJVACTSA-N 0 1 352.862 2.719 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000845832351 748333818 /nfs/dbraw/zinc/33/38/18/748333818.db2.gz CEBMRQFNHKQWDF-OIQJVACTSA-N 0 1 352.862 2.719 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000845832351 748333825 /nfs/dbraw/zinc/33/38/25/748333825.db2.gz CEBMRQFNHKQWDF-OIQJVACTSA-N 0 1 352.862 2.719 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846055653 748393377 /nfs/dbraw/zinc/39/33/77/748393377.db2.gz IJEHGQKUPOYTAZ-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)c(F)cc1O ZINC000848560615 748961060 /nfs/dbraw/zinc/96/10/60/748961060.db2.gz HWYACSHBJDZBAA-MRVPVSSYSA-N 0 1 372.242 2.886 20 10 FFCDMN COc1ccc(N2CCN(CCCC(=O)NCC(C)C)CC2)cc1F ZINC000851807462 749682195 /nfs/dbraw/zinc/68/21/95/749682195.db2.gz GPWGJOGRIGJACX-UHFFFAOYSA-N 0 1 351.466 2.509 20 10 FFCDMN CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893310 1013150085 /nfs/dbraw/zinc/15/00/85/1013150085.db2.gz VETXUSVISRMABJ-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275893310 1013150089 /nfs/dbraw/zinc/15/00/89/1013150089.db2.gz VETXUSVISRMABJ-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN CC(C)CN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275896586 1013157553 /nfs/dbraw/zinc/15/75/53/1013157553.db2.gz ZNMHVPJVJLYEAZ-GOSISDBHSA-N 0 1 352.862 2.505 20 10 FFCDMN CC(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275896586 1013157563 /nfs/dbraw/zinc/15/75/63/1013157563.db2.gz ZNMHVPJVJLYEAZ-GOSISDBHSA-N 0 1 352.862 2.505 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000683490515 960785822 /nfs/dbraw/zinc/78/58/22/960785822.db2.gz QVLQTXKKLZWSNV-OAQYLSRUSA-N 0 1 369.509 2.637 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc4c([N+](=O)[O-])c[nH]c4n3)cc2)CC1 ZINC001167426563 963026291 /nfs/dbraw/zinc/02/62/91/963026291.db2.gz KDRHKWOFEBOLEQ-UHFFFAOYSA-N 0 1 366.425 2.835 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001276064981 1013393730 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Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001261502928 1041275258 /nfs/dbraw/zinc/27/52/58/1041275258.db2.gz FEZVCPIOXHRUGG-PKYBCLHXSA-N 0 1 370.409 2.885 20 10 FFCDMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c([O-])cc(F)cc2F)n(C)n1 ZINC001278605671 1041391530 /nfs/dbraw/zinc/39/15/30/1041391530.db2.gz IEGVAYCMJDCJCM-GASCZTMLSA-N 0 1 362.424 2.561 20 10 FFCDMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c([O-])cc(F)cc2F)n(C)n1 ZINC001278605671 1041391540 /nfs/dbraw/zinc/39/15/40/1041391540.db2.gz IEGVAYCMJDCJCM-GASCZTMLSA-N 0 1 362.424 2.561 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccnc(Cl)c3)cc2)CC1 ZINC001215994841 1041926433 /nfs/dbraw/zinc/92/64/33/1041926433.db2.gz AXVDPERTNLMNHG-UHFFFAOYSA-N 0 1 359.861 2.809 20 10 FFCDMN O=C([O-])c1ccc(O)c(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237288292 1043095081 /nfs/dbraw/zinc/09/50/81/1043095081.db2.gz FJTLHWFWRXPRNE-UHFFFAOYSA-N 0 1 352.434 2.727 20 10 FFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001279443168 1043119116 /nfs/dbraw/zinc/11/91/16/1043119116.db2.gz ZVTGTTZUWOINKQ-UHFFFAOYSA-N 0 1 360.889 2.840 20 10 FFCDMN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(Cl)c2[O-])[nH]1 ZINC001279443121 1043119129 /nfs/dbraw/zinc/11/91/29/1043119129.db2.gz XTZQWPWKFSLSFI-IRXDYDNUSA-N 0 1 359.857 2.995 20 10 FFCDMN O=C(Nc1cccnc1)N1C[C@@H]2CC[N@H+](Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC001279529383 1043229624 /nfs/dbraw/zinc/22/96/24/1043229624.db2.gz OZTUELHWBCKRHO-SUMWQHHRSA-N 0 1 356.401 2.665 20 10 FFCDMN COc1cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237671592 1043300991 /nfs/dbraw/zinc/30/09/91/1043300991.db2.gz CQBQHOFEPYJTGV-UHFFFAOYSA-N 0 1 354.447 2.708 20 10 FFCDMN [O-]c1c(I)cccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237781442 1043352727 /nfs/dbraw/zinc/35/27/27/1043352727.db2.gz WSFPYXBYJUQDCX-NSHDSACASA-N 0 1 361.223 2.591 20 10 FFCDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(I)c2[O-])CC1 ZINC001237778755 1043354573 /nfs/dbraw/zinc/35/45/73/1043354573.db2.gz BANUCASSROCIDR-GFCCVEGCSA-N 0 1 361.223 2.998 20 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/nfs/dbraw/zinc/58/82/45/1044588245.db2.gz PUXYIZRHRKGWAP-BLLLJJGKSA-N 0 1 353.260 2.632 20 10 FFCDMN C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC001321979961 1045901420 /nfs/dbraw/zinc/90/14/20/1045901420.db2.gz MXMSWTKBHXMXHE-KGLIPLIRSA-N 0 1 370.291 2.827 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3F)cc2)CC1 ZINC001288334594 1047449337 /nfs/dbraw/zinc/44/93/37/1047449337.db2.gz LGYRYFFTOSUCRJ-FLIBITNWSA-N 0 1 353.441 2.907 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC001329156669 1048599707 /nfs/dbraw/zinc/59/97/07/1048599707.db2.gz RMYQKPFDWMARBB-UHFFFAOYSA-N 0 1 354.273 2.789 20 10 FFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+](Cc1ccc(F)cc1)CC1CC1)cc2=O ZINC000738701620 1048694366 /nfs/dbraw/zinc/69/43/66/1048694366.db2.gz DQJMZAVMUQXDCL-UHFFFAOYSA-N 0 1 370.384 2.684 20 10 FFCDMN CN(CCN1CCCS1(=O)=O)Cc1cc2oc3ccccc3c2cc1O ZINC000751940694 1052245446 /nfs/dbraw/zinc/24/54/46/1052245446.db2.gz WIIMDCVYZCLJPC-UHFFFAOYSA-N 0 1 374.462 2.759 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC001351618233 1054923454 /nfs/dbraw/zinc/92/34/54/1054923454.db2.gz ASEABECGMOTTTP-INIZCTEOSA-N 0 1 370.287 2.812 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCN(c3nncn3C)CC2)cc1 ZINC000848925145 1055378243 /nfs/dbraw/zinc/37/82/43/1055378243.db2.gz OUDQIMHMFXOHOP-UHFFFAOYSA-N 0 1 356.518 2.764 20 10 FFCDMN C[C@@H]1CNc2c(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnn2C1 ZINC001349844492 1055497405 /nfs/dbraw/zinc/49/74/05/1055497405.db2.gz AXMYWYMYDKFYQZ-MRVPVSSYSA-N 0 1 355.225 2.887 20 10 FFCDMN COc1ccccc1[C@H](CNC(=O)NCc1ccc(N)cc1)N1CCCC1 ZINC001338433021 1055510058 /nfs/dbraw/zinc/51/00/58/1055510058.db2.gz UJVBQFZDQLXRLZ-IBGZPJMESA-N 0 1 368.481 2.914 20 10 FFCDMN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001545632568 1071823402 /nfs/dbraw/zinc/82/34/02/1071823402.db2.gz PGFGCZVXZOCDPL-BGIURUKPSA-N 0 1 366.889 2.797 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640568 1060385139 /nfs/dbraw/zinc/38/51/39/1060385139.db2.gz RYAQIVDNPNGZSN-ZYSHUDEJSA-N 0 1 359.514 2.663 20 10 FFCDMN C[C@H]1CN(c2ccc(CNCc3cnc4cnccn34)cc2F)C[C@H](C)O1 ZINC001461064657 1061201276 /nfs/dbraw/zinc/20/12/76/1061201276.db2.gz CVERDOJJELXPLH-GJZGRUSLSA-N 0 1 369.444 2.772 20 10 FFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)N1CCCCCC1 ZINC001463826547 1062282435 /nfs/dbraw/zinc/28/24/35/1062282435.db2.gz QBBNDSUYPUCZBS-UHFFFAOYSA-N 0 1 353.271 2.909 20 10 FFCDMN CN(c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1)C1CCCCC1 ZINC001464534376 1062671539 /nfs/dbraw/zinc/67/15/39/1062671539.db2.gz ARHATTHWMOHKSI-CTNGQTDRSA-N 0 1 359.514 2.527 20 10 FFCDMN CC[C@@H]1CN(C)CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001468728943 1064028684 /nfs/dbraw/zinc/02/86/84/1064028684.db2.gz UFMHQGXLAWXISW-MRXNPFEDSA-N 0 1 350.482 2.908 20 10 FFCDMN COC(=O)C1=NO[C@]2(CCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)C1 ZINC001473729685 1065335905 /nfs/dbraw/zinc/33/59/05/1065335905.db2.gz HIVBTSADWOEVAQ-OAQYLSRUSA-N 0 1 371.481 2.879 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[NH2+]C2(Cc3cn[nH]n3)CCC2)c1 ZINC001577252587 1078324018 /nfs/dbraw/zinc/32/40/18/1078324018.db2.gz VHHIMAGMOICATD-UHFFFAOYSA-N 0 1 351.248 2.836 20 10 FFCDMN Cc1cc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001558077391 1075938315 /nfs/dbraw/zinc/93/83/15/1075938315.db2.gz AJTWMQGJVNYCRX-ZDUSSCGKSA-N 0 1 370.844 2.890 20 10 FFCDMN CN1CCN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)CC1 ZINC001559268164 1076143016 /nfs/dbraw/zinc/14/30/16/1076143016.db2.gz UJEYFZFTDBFSAP-UHFFFAOYSA-N 0 1 372.454 2.668 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3cncc(Cl)n3)CC2)cc1 ZINC000053552978 506403827 /nfs/dbraw/zinc/40/38/27/506403827.db2.gz JSKLRLCTHOOVNV-UHFFFAOYSA-N 0 1 361.877 2.763 20 10 FFCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000079388040 507956992 /nfs/dbraw/zinc/95/69/92/507956992.db2.gz DRACDHSPXBZGPF-UHFFFAOYSA-N 0 1 362.445 2.958 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367211171 512387681 /nfs/dbraw/zinc/38/76/81/512387681.db2.gz CHGJRVZQCUZZPD-LBPRGKRZSA-N 0 1 360.845 2.830 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367211171 512387687 /nfs/dbraw/zinc/38/76/87/512387687.db2.gz CHGJRVZQCUZZPD-LBPRGKRZSA-N 0 1 360.845 2.830 20 10 FFCDMN CN(C)C(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000160176202 508950024 /nfs/dbraw/zinc/95/00/24/508950024.db2.gz YDPVLQHAMUUMIJ-KRWDZBQOSA-N 0 1 357.454 2.603 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)[C@@](C)(N)c3ccccc3)CC2)cc1 ZINC000192521687 509545681 /nfs/dbraw/zinc/54/56/81/509545681.db2.gz PJYMOIPZCPCEEI-NRFANRHFSA-N 0 1 353.466 2.608 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000186374975 509678283 /nfs/dbraw/zinc/67/82/83/509678283.db2.gz CJRTUTFOKYELDC-WCQYABFASA-N 0 1 372.259 2.727 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000177892358 510312799 /nfs/dbraw/zinc/31/27/99/510312799.db2.gz JHGMSYCHSGLDKF-HNNXBMFYSA-N 0 1 371.485 2.580 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cc2F)CC1 ZINC000171724980 510333719 /nfs/dbraw/zinc/33/37/19/510333719.db2.gz UAJWTFAQPFMFOU-UHFFFAOYSA-N 0 1 360.433 2.560 20 10 FFCDMN COC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000181645958 510520044 /nfs/dbraw/zinc/52/00/44/510520044.db2.gz WIOPIAUILRFDAP-FQEVSTJZSA-N 0 1 355.482 2.688 20 10 FFCDMN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185140501 510707234 /nfs/dbraw/zinc/70/72/34/510707234.db2.gz BNDORGOYOADINF-CXAGYDPISA-N 0 1 356.919 2.904 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)NCc2cccc(Br)c2O)n[nH]1 ZINC000277330156 510960648 /nfs/dbraw/zinc/96/06/48/510960648.db2.gz FAKBUXWBBLEOEF-VIFPVBQESA-N 0 1 367.247 2.617 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3nnc(C(F)F)o3)CC2)cc1 ZINC000278730197 511004950 /nfs/dbraw/zinc/00/49/50/511004950.db2.gz PVEJHEOYMDORLE-UHFFFAOYSA-N 0 1 367.400 2.640 20 10 FFCDMN CCOc1cccc(CN(CCO)Cc2ccc(OC)cc2OC)c1O ZINC000271182252 511110679 /nfs/dbraw/zinc/11/06/79/511110679.db2.gz MIZVXTVBJWHPMP-UHFFFAOYSA-N 0 1 361.438 2.803 20 10 FFCDMN COc1cc(N2CCN(CC3CC(F)(F)C3)CC2)cc(OC)c1OC ZINC000295071374 511270845 /nfs/dbraw/zinc/27/08/45/511270845.db2.gz AGUMESQDZWACDZ-UHFFFAOYSA-N 0 1 356.413 2.880 20 10 FFCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C(F)(F)F ZINC000291696015 511302320 /nfs/dbraw/zinc/30/23/20/511302320.db2.gz YNAHCVULDVPSDU-SNVBAGLBSA-N 0 1 350.768 2.936 20 10 FFCDMN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273456541 511526465 /nfs/dbraw/zinc/52/64/65/511526465.db2.gz HCHMWMWNMNMADA-IXDGSTSKSA-N 0 1 363.458 2.719 20 10 FFCDMN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000295853561 511536140 /nfs/dbraw/zinc/53/61/40/511536140.db2.gz DZSCWWCHBHHOEC-OAHLLOKOSA-N 0 1 357.292 2.652 20 10 FFCDMN COc1cccc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280832316 511620920 /nfs/dbraw/zinc/62/09/20/511620920.db2.gz WYHGZMPFGKIRHM-KBXCAEBGSA-N 0 1 363.479 2.973 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672721 /nfs/dbraw/zinc/67/27/21/511672721.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N 0 1 371.393 2.826 20 10 FFCDMN COc1c(O)c(CN2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672727 /nfs/dbraw/zinc/67/27/27/511672727.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N 0 1 371.393 2.826 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000281013599 511688921 /nfs/dbraw/zinc/68/89/21/511688921.db2.gz YVIFNAPKOBIFSY-ZOWXZIJZSA-N 0 1 358.276 2.840 20 10 FFCDMN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000366321589 511958249 /nfs/dbraw/zinc/95/82/49/511958249.db2.gz WTATTZKAQZRJLI-HKUYNNGSSA-N 0 1 373.428 2.785 20 10 FFCDMN C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378429813 512755700 /nfs/dbraw/zinc/75/57/00/512755700.db2.gz TWLLJQOCNHBUBM-MAZHCROVSA-N 0 1 352.862 2.551 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000376329364 512770125 /nfs/dbraw/zinc/77/01/25/512770125.db2.gz AGRJGUMFPUPSKL-LLVKDONJSA-N 0 1 355.225 2.779 20 10 FFCDMN CCOCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435487373 513602077 /nfs/dbraw/zinc/60/20/77/513602077.db2.gz QYJPMIPXSXRJMZ-UHFFFAOYSA-N 0 1 357.498 2.951 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCOC2)C1 ZINC000435549340 513615958 /nfs/dbraw/zinc/61/59/58/513615958.db2.gz KDCYCBBOZNRCMM-KRWDZBQOSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCOC2)C1 ZINC000435549340 513615962 /nfs/dbraw/zinc/61/59/62/513615962.db2.gz KDCYCBBOZNRCMM-KRWDZBQOSA-N 0 1 369.509 2.951 20 10 FFCDMN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714819 600986363 /nfs/dbraw/zinc/98/63/63/600986363.db2.gz ZDGNURKVAPTGNC-BIENSFFJSA-N 0 1 359.426 2.861 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)cc1F ZINC000832384109 601964680 /nfs/dbraw/zinc/96/46/80/601964680.db2.gz TUAQYNDOTMQSHS-UHFFFAOYSA-N 0 1 350.415 2.916 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCOC3(CCOCC3)C2)c1O ZINC000833307664 604642550 /nfs/dbraw/zinc/64/25/50/604642550.db2.gz KKQDEFZALSEODT-UHFFFAOYSA-N 0 1 357.406 2.625 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000833896910 605912580 /nfs/dbraw/zinc/91/25/80/605912580.db2.gz ATSVUQQBRWXKHK-GWCFXTLKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000833896910 605912582 /nfs/dbraw/zinc/91/25/82/605912582.db2.gz ATSVUQQBRWXKHK-GWCFXTLKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1O ZINC000833897411 605996319 /nfs/dbraw/zinc/99/63/19/605996319.db2.gz KEBLQMWGUXJOOI-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(F)ncc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000899260408 735467605 /nfs/dbraw/zinc/46/76/05/735467605.db2.gz FZNNMCZPUNUIOJ-JYRVWZFOSA-N 0 1 351.472 2.825 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092734161 728470609 /nfs/dbraw/zinc/47/06/09/728470609.db2.gz JOTAUHVGSSGGRX-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCCO1 ZINC000093460516 728476262 /nfs/dbraw/zinc/47/62/62/728476262.db2.gz JBXUNAGWKQDPID-AWEZNQCLSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCCO1 ZINC000093460516 728476264 /nfs/dbraw/zinc/47/62/64/728476264.db2.gz JBXUNAGWKQDPID-AWEZNQCLSA-N 0 1 372.259 2.699 20 10 FFCDMN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000115592748 728566455 /nfs/dbraw/zinc/56/64/55/728566455.db2.gz ATEPDNGDJPHDEX-UHFFFAOYSA-N 0 1 367.402 2.587 20 10 FFCDMN CC(C)OCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134268979 728729439 /nfs/dbraw/zinc/72/94/39/728729439.db2.gz XHLHRDQGCGJMRA-INIZCTEOSA-N 0 1 354.878 2.941 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCC(C)(C)C)cc2F)CC1 ZINC000171723674 729011588 /nfs/dbraw/zinc/01/15/88/729011588.db2.gz YADRVOLHTAUNIW-UHFFFAOYSA-N 0 1 350.482 2.813 20 10 FFCDMN COC1(OC)CC[C@@H]1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924718477 738441256 /nfs/dbraw/zinc/44/12/56/738441256.db2.gz YWIXDOKLNGKHIM-DEYYWGMASA-N 0 1 352.450 2.680 20 10 FFCDMN Cc1cc(Br)cc(CNCc2ccnc(N(C)C)n2)c1O ZINC000779432679 738463909 /nfs/dbraw/zinc/46/39/09/738463909.db2.gz ZHBAVYJAHIYJEQ-UHFFFAOYSA-N 0 1 351.248 2.609 20 10 FFCDMN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(Br)ccc2[O-])c[nH]1 ZINC000858288849 730421888 /nfs/dbraw/zinc/42/18/88/730421888.db2.gz FVLBRKYTJWBEIQ-CJNGLKHVSA-N 0 1 365.227 2.875 20 10 FFCDMN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161908 738484430 /nfs/dbraw/zinc/48/44/30/738484430.db2.gz RMGNSBANPHFSMP-STQMWFEESA-N 0 1 351.401 2.736 20 10 FFCDMN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000862516621 730706049 /nfs/dbraw/zinc/70/60/49/730706049.db2.gz WDFUCZRKAKIXQT-BXUZGUMPSA-N 0 1 372.259 2.603 20 10 FFCDMN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000866578082 731076143 /nfs/dbraw/zinc/07/61/43/731076143.db2.gz JDMNSWKKNONDFI-GFCCVEGCSA-N 0 1 368.886 2.847 20 10 FFCDMN O=C(CC1CSC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000866765560 731096856 /nfs/dbraw/zinc/09/68/56/731096856.db2.gz YWZIXZUJGCKHJX-HNNXBMFYSA-N 0 1 354.903 2.879 20 10 FFCDMN COC(=O)c1csc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000876946863 732301455 /nfs/dbraw/zinc/30/14/55/732301455.db2.gz WVFNWHDUOIFMOY-UHFFFAOYSA-N 0 1 364.442 2.800 20 10 FFCDMN COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2[O-])[nH]c1C ZINC000877521080 732379563 /nfs/dbraw/zinc/37/95/63/732379563.db2.gz PTZSYRDBEWXLES-UHFFFAOYSA-N 0 1 353.216 2.868 20 10 FFCDMN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000881848919 733119733 /nfs/dbraw/zinc/11/97/33/733119733.db2.gz FCQZORGDODYKJB-UHFFFAOYSA-N 0 1 357.479 2.633 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000927134485 738695201 /nfs/dbraw/zinc/69/52/01/738695201.db2.gz IWJRHMMBUZHAFA-DOMZBBRYSA-N 0 1 354.248 2.663 20 10 FFCDMN Cc1ccsc1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883208547 733350912 /nfs/dbraw/zinc/35/09/12/733350912.db2.gz JKUTXPNZSBINRN-UHFFFAOYSA-N 0 1 358.511 2.808 20 10 FFCDMN CSC1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000883658630 733419074 /nfs/dbraw/zinc/41/90/74/733419074.db2.gz JRKJAEVSIUNYQW-UHFFFAOYSA-N 0 1 362.543 2.523 20 10 FFCDMN CSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889670166 734206389 /nfs/dbraw/zinc/20/63/89/734206389.db2.gz XWBUSTQSSDYDNI-INIZCTEOSA-N 0 1 364.559 2.721 20 10 FFCDMN O=C(NCc1cccc(Cl)c1[O-])C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000890759886 734336666 /nfs/dbraw/zinc/33/66/66/734336666.db2.gz UJKLJSMUAOBPGO-AWEZNQCLSA-N 0 1 354.903 2.879 20 10 FFCDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210881 734362895 /nfs/dbraw/zinc/36/28/95/734362895.db2.gz IHSBJSQOOSXWSO-CQSZACIVSA-N 0 1 361.667 2.766 20 10 FFCDMN O=C(CC[NH2+]Cc1cc(Br)ccc1[O-])Nc1ccccn1 ZINC000725848807 734395815 /nfs/dbraw/zinc/39/58/15/734395815.db2.gz JLEMIWXEOOBVAO-UHFFFAOYSA-N 0 1 350.216 2.668 20 10 FFCDMN Oc1c(Br)cc(Cl)cc1CN1CCOC[C@H]1c1ncon1 ZINC000894429614 734856972 /nfs/dbraw/zinc/85/69/72/734856972.db2.gz VXHXXSKQBBCENJ-NSHDSACASA-N 0 1 374.622 2.765 20 10 FFCDMN Cc1ccc(F)c(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000735084666 734928147 /nfs/dbraw/zinc/92/81/47/734928147.db2.gz OBMNMDVPTFGKGC-UHFFFAOYSA-N 0 1 362.470 2.659 20 10 FFCDMN O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])CC[C@H]2N1 ZINC000895258129 734982199 /nfs/dbraw/zinc/98/21/99/734982199.db2.gz BPENHWJONXLBNX-TVQRCGJNSA-N 0 1 373.678 2.909 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1F ZINC000896392579 735151894 /nfs/dbraw/zinc/15/18/94/735151894.db2.gz GUVKWNIDWBWHQN-ACJLOTCBSA-N 0 1 353.413 2.741 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173267 735200977 /nfs/dbraw/zinc/20/09/77/735200977.db2.gz NUJHDRYHFDEDHB-OAHLLOKOSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173267 735200982 /nfs/dbraw/zinc/20/09/82/735200982.db2.gz NUJHDRYHFDEDHB-OAHLLOKOSA-N 0 1 370.287 2.908 20 10 FFCDMN O=C(NCCCSc1nccs1)C1CCC(N2CCOCC2)CC1 ZINC000900684119 735679880 /nfs/dbraw/zinc/67/98/80/735679880.db2.gz XGMQWFHHRDOFGZ-UHFFFAOYSA-N 0 1 369.556 2.633 20 10 FFCDMN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000901127132 735747090 /nfs/dbraw/zinc/74/70/90/735747090.db2.gz INSFFNKKUNYEJQ-WQVCFCJDSA-N 0 1 354.878 2.533 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(F)cn1 ZINC000752597057 736000673 /nfs/dbraw/zinc/00/06/73/736000673.db2.gz UAHSXGVYNIWOKP-OAHLLOKOSA-N 0 1 363.820 2.974 20 10 FFCDMN C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000903419908 736090123 /nfs/dbraw/zinc/09/01/23/736090123.db2.gz JEIRVXBUNQAQFL-JTQLQIEISA-N 0 1 352.232 2.732 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756543696 736340756 /nfs/dbraw/zinc/34/07/56/736340756.db2.gz HTSJQWOTFWIUEO-NWDGAFQWSA-N 0 1 374.298 2.580 20 10 FFCDMN COC1CCN(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756641466 736349168 /nfs/dbraw/zinc/34/91/68/736349168.db2.gz IANZCGAREGBDJN-GFCCVEGCSA-N 0 1 357.292 2.916 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000756733114 736356671 /nfs/dbraw/zinc/35/66/71/736356671.db2.gz OQNLYBUUBUJVEX-XVMOGABASA-N 0 1 353.260 2.815 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000761497853 736740886 /nfs/dbraw/zinc/74/08/86/736740886.db2.gz BUTGCAODKXLVEZ-HIFRSBDPSA-N 0 1 358.276 2.983 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1coc2c1C(=O)NCCC2 ZINC000908211109 736741046 /nfs/dbraw/zinc/74/10/46/736741046.db2.gz FNUZPBWQMIIILR-UHFFFAOYSA-N 0 1 369.204 2.898 20 10 FFCDMN CC1CC[NH+](CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764766353 737047548 /nfs/dbraw/zinc/04/75/48/737047548.db2.gz ZOIHITGXPYHELP-UHFFFAOYSA-N 0 1 370.291 2.686 20 10 FFCDMN O=C(Cc1n[nH]c2c1CCCC2)NCc1cccc(Br)c1O ZINC000765766197 737156491 /nfs/dbraw/zinc/15/64/91/737156491.db2.gz VQSFJOVLBTUCAF-UHFFFAOYSA-N 0 1 364.243 2.616 20 10 FFCDMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911614 737476320 /nfs/dbraw/zinc/47/63/20/737476320.db2.gz GJTAHJOKYKSBSW-BBRMVZONSA-N 0 1 362.861 2.584 20 10 FFCDMN NC(=O)[C@H]1c2ccccc2CCN1Cc1cccc(Br)c1O ZINC000769187966 737505200 /nfs/dbraw/zinc/50/52/00/737505200.db2.gz CXQNYXFKEMDSOZ-OAHLLOKOSA-N 0 1 361.239 2.739 20 10 FFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1 ZINC000769632150 737548253 /nfs/dbraw/zinc/54/82/53/737548253.db2.gz APLVSXNCCXNUKF-UHFFFAOYSA-N 0 1 364.423 2.806 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCSC1 ZINC000771066176 737691549 /nfs/dbraw/zinc/69/15/49/737691549.db2.gz OWKAXOGDWBKHNG-WFASDCNBSA-N 0 1 354.903 2.879 20 10 FFCDMN CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775552915 738101260 /nfs/dbraw/zinc/10/12/60/738101260.db2.gz YYYIWEYFRPBFDK-GJZGRUSLSA-N 0 1 358.276 2.983 20 10 FFCDMN C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980904 742226609 /nfs/dbraw/zinc/22/66/09/742226609.db2.gz FPYQQJSZWJUXBR-GXSJLCMTSA-N 0 1 363.683 2.837 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000790410074 739449806 /nfs/dbraw/zinc/44/98/06/739449806.db2.gz ZRCPALMOXVNPAO-UHFFFAOYSA-N 0 1 370.358 2.947 20 10 FFCDMN COC(=O)[C@@H](NCc1cccc(Br)c1O)c1cccc(O)c1 ZINC000792180101 739647671 /nfs/dbraw/zinc/64/76/71/739647671.db2.gz LKDGRUVVPVEUMM-AWEZNQCLSA-N 0 1 366.211 2.864 20 10 FFCDMN CN(C)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793072248 739737077 /nfs/dbraw/zinc/73/70/77/739737077.db2.gz DHBLCFPBNZEARS-AWEZNQCLSA-N 0 1 364.433 2.828 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C2CC2)C1=O ZINC000935991983 740041800 /nfs/dbraw/zinc/04/18/00/740041800.db2.gz KAQIKEVAHFNTFE-LBPRGKRZSA-N 0 1 357.237 2.716 20 10 FFCDMN CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000797116136 740213656 /nfs/dbraw/zinc/21/36/56/740213656.db2.gz FLBOISFNNHUXHH-HIFRSBDPSA-N 0 1 360.907 2.900 20 10 FFCDMN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc2c(cc1O)OCO2 ZINC000800851491 740556587 /nfs/dbraw/zinc/55/65/87/740556587.db2.gz CITADDDBJMKBQI-UHFFFAOYSA-N 0 1 362.451 2.629 20 10 FFCDMN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000806663384 741079349 /nfs/dbraw/zinc/07/93/49/741079349.db2.gz QHZQVMCVPVLTRH-SKDRFNHKSA-N 0 1 361.305 2.673 20 10 FFCDMN O=C(CNC(=O)Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836616 741162964 /nfs/dbraw/zinc/16/29/64/741162964.db2.gz HKJFCSUACLVHOX-UHFFFAOYSA-N 0 1 367.232 2.674 20 10 FFCDMN C[C@H](OCC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nccn1C ZINC000807841263 741163363 /nfs/dbraw/zinc/16/33/63/741163363.db2.gz WKSJCDJFCZLHLX-VIFPVBQESA-N 0 1 358.225 2.827 20 10 FFCDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809779410 741343022 /nfs/dbraw/zinc/34/30/22/741343022.db2.gz LZMOKFNORGWWGX-GFCCVEGCSA-N 0 1 357.794 2.664 20 10 FFCDMN COCCCN(Cc1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000816482587 742033058 /nfs/dbraw/zinc/03/30/58/742033058.db2.gz LNRJFBHONKOSLV-QGZVFWFLSA-N 0 1 363.479 2.571 20 10 FFCDMN O=C1COc2ccc(C[NH2+]Cc3cc(Br)ccc3[O-])cc2N1 ZINC000816609348 742047018 /nfs/dbraw/zinc/04/70/18/742047018.db2.gz YSAXLKKUTLOMEF-UHFFFAOYSA-N 0 1 363.211 2.775 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@]3(C)CC3(F)F)cc2F)CC1 ZINC000817431926 742142802 /nfs/dbraw/zinc/14/28/02/742142802.db2.gz GCJFMFIBGQFWSD-KRWDZBQOSA-N 0 1 355.404 2.629 20 10 FFCDMN COC(=O)c1conc1C(C)(C)NCc1cccc(Br)c1O ZINC000822534468 742749212 /nfs/dbraw/zinc/74/92/12/742749212.db2.gz HWMNOPYYAUWKGE-UHFFFAOYSA-N 0 1 369.215 2.954 20 10 FFCDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823846794 742989482 /nfs/dbraw/zinc/98/94/82/742989482.db2.gz ISNJLFHIELYLKE-AWEZNQCLSA-N 0 1 352.525 2.907 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606372 743115171 /nfs/dbraw/zinc/11/51/71/743115171.db2.gz QKUSJXAWPIINLZ-ZIAGYGMSSA-N 0 1 354.878 2.717 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606372 743115173 /nfs/dbraw/zinc/11/51/73/743115173.db2.gz QKUSJXAWPIINLZ-ZIAGYGMSSA-N 0 1 354.878 2.717 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824649859 743122642 /nfs/dbraw/zinc/12/26/42/743122642.db2.gz HTKNFCAYNZNCIP-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824649859 743122645 /nfs/dbraw/zinc/12/26/45/743122645.db2.gz HTKNFCAYNZNCIP-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000824654684 743123469 /nfs/dbraw/zinc/12/34/69/743123469.db2.gz QBDAPLBGNPZKFG-JGGQBBKZSA-N 0 1 370.287 2.825 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824654685 743123633 /nfs/dbraw/zinc/12/36/33/743123633.db2.gz QBDAPLBGNPZKFG-XNRPHZJLSA-N 0 1 370.287 2.825 20 10 FFCDMN O=C(N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824829759 743158543 /nfs/dbraw/zinc/15/85/43/743158543.db2.gz QYBZNGHIDHHIIL-PWSUYJOCSA-N 0 1 362.779 2.888 20 10 FFCDMN COc1cccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825283368 743241065 /nfs/dbraw/zinc/24/10/65/743241065.db2.gz KOWQHLUDJCDUNH-INIZCTEOSA-N 0 1 352.228 2.987 20 10 FFCDMN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825291474 743242917 /nfs/dbraw/zinc/24/29/17/743242917.db2.gz LNUMZAUPQAEOJG-BXUZGUMPSA-N 0 1 355.276 2.891 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000825358248 743256014 /nfs/dbraw/zinc/25/60/14/743256014.db2.gz PLWQQHXERMENRP-HOTGVXAUSA-N 0 1 369.303 2.888 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000825391590 743261510 /nfs/dbraw/zinc/26/15/10/743261510.db2.gz YNRUUWCXFQJBGN-DOTOQJQBSA-N 0 1 366.255 2.729 20 10 FFCDMN O=C([C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000825939718 743345880 /nfs/dbraw/zinc/34/58/80/743345880.db2.gz GPWNOWZYMPZCAM-ZDUSSCGKSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C([C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)N1CCCC1 ZINC000825939718 743345889 /nfs/dbraw/zinc/34/58/89/743345889.db2.gz GPWNOWZYMPZCAM-ZDUSSCGKSA-N 0 1 353.260 2.599 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000826043613 743361079 /nfs/dbraw/zinc/36/10/79/743361079.db2.gz MDVBZLYMAVVHKF-NWANDNLSSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000826043613 743361087 /nfs/dbraw/zinc/36/10/87/743361087.db2.gz MDVBZLYMAVVHKF-NWANDNLSSA-N 0 1 356.260 2.517 20 10 FFCDMN CCC[C@H](OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095338 743505680 /nfs/dbraw/zinc/50/56/80/743505680.db2.gz DRKALASFCCZNIH-WBVHZDCISA-N 0 1 354.878 2.941 20 10 FFCDMN CN(C)c1ccc(/C=C/CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028933 745933325 /nfs/dbraw/zinc/93/33/25/745933325.db2.gz NWCLPUMLIQOWFM-APHBUQMISA-N 0 1 355.404 2.861 20 10 FFCDMN CN(C)c1ccc(/C=C\CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028936 745933361 /nfs/dbraw/zinc/93/33/61/745933361.db2.gz NWCLPUMLIQOWFM-YIEVGGLXSA-N 0 1 355.404 2.861 20 10 FFCDMN CN(C)c1ccc(/C=C\CNCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000835037457 745936313 /nfs/dbraw/zinc/93/63/13/745936313.db2.gz POSOZCOYRWEMOK-TWGQIWQCSA-N 0 1 358.507 2.970 20 10 FFCDMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835078610 745946864 /nfs/dbraw/zinc/94/68/64/745946864.db2.gz UUFXAHATGHNKOF-UHFFFAOYSA-N 0 1 359.810 2.910 20 10 FFCDMN CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)ccc1[O-] ZINC000840883399 747211686 /nfs/dbraw/zinc/21/16/86/747211686.db2.gz MPAXNUODSKJFIB-ZDUSSCGKSA-N 0 1 362.289 2.773 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(Cl)c1 ZINC000840895975 747217828 /nfs/dbraw/zinc/21/78/28/747217828.db2.gz CCNDEKUKOSMFEN-CYBMUJFWSA-N 0 1 359.857 2.821 20 10 FFCDMN CCN(C1CCN(Cc2c(O)cc(C)cc2Cl)CC1)S(C)(=O)=O ZINC000840916742 747224039 /nfs/dbraw/zinc/22/40/39/747224039.db2.gz CDEHXWQUPYTHIR-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN CCN(C1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1)S(C)(=O)=O ZINC000840916742 747224044 /nfs/dbraw/zinc/22/40/44/747224044.db2.gz CDEHXWQUPYTHIR-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN COc1ccccc1CCNC(=O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840942672 747236867 /nfs/dbraw/zinc/23/68/67/747236867.db2.gz SMQTYZGHJXSADR-UHFFFAOYSA-N 0 1 362.857 2.811 20 10 FFCDMN COc1ccccc1CCNC(=O)CNCc1c(O)cc(C)cc1Cl ZINC000840942672 747236876 /nfs/dbraw/zinc/23/68/76/747236876.db2.gz SMQTYZGHJXSADR-UHFFFAOYSA-N 0 1 362.857 2.811 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H](C2CCC2)C1 ZINC000840956016 747242109 /nfs/dbraw/zinc/24/21/09/747242109.db2.gz GXOLEKUTEZGJFG-AWEZNQCLSA-N 0 1 374.300 2.554 20 10 FFCDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1[O-] ZINC000842914502 747719619 /nfs/dbraw/zinc/71/96/19/747719619.db2.gz GTOZCNHEZGSSHY-BZNIZROVSA-N 0 1 358.276 2.983 20 10 FFCDMN Cc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)on1 ZINC000845833777 748334520 /nfs/dbraw/zinc/33/45/20/748334520.db2.gz NUXQPAXRRWHETI-HNNXBMFYSA-N 0 1 363.845 2.665 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1[O-] ZINC000848572847 748963357 /nfs/dbraw/zinc/96/33/57/748963357.db2.gz WLQBKBXYNOCZSK-CABZTGNLSA-N 0 1 355.232 2.789 20 10 FFCDMN C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368897 749354114 /nfs/dbraw/zinc/35/41/14/749354114.db2.gz GIWURYBUPORKAL-DGCLKSJQSA-N 0 1 364.433 2.827 20 10 FFCDMN CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275838402 1013062262 /nfs/dbraw/zinc/06/22/62/1013062262.db2.gz WYTSNHMGDUBIAE-IBGZPJMESA-N 0 1 364.873 2.815 20 10 FFCDMN CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275838402 1013062278 /nfs/dbraw/zinc/06/22/78/1013062278.db2.gz WYTSNHMGDUBIAE-IBGZPJMESA-N 0 1 364.873 2.815 20 10 FFCDMN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275838431 1013062446 /nfs/dbraw/zinc/06/24/46/1013062446.db2.gz XQFGLWUMKAJMTL-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275838431 1013062461 /nfs/dbraw/zinc/06/24/61/1013062461.db2.gz XQFGLWUMKAJMTL-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N(Cc3ccoc3)C3CC3)cc2)CC1 ZINC000896445531 971495099 /nfs/dbraw/zinc/49/50/99/971495099.db2.gz VSAIEHXJUGPHQD-UHFFFAOYSA-N 0 1 368.481 2.906 20 10 FFCDMN Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573442 971593489 /nfs/dbraw/zinc/59/34/89/971593489.db2.gz USMCNNZPKVHSNL-FOIQADDNSA-N 0 1 372.488 2.597 20 10 FFCDMN O=C1N(Cc2ncccn2)CC[C@@]12CCCN2Cc1ccc(Cl)cc1O ZINC001275895531 1013154978 /nfs/dbraw/zinc/15/49/78/1013154978.db2.gz KYSBPKAIZCZMAD-IBGZPJMESA-N 0 1 372.856 2.603 20 10 FFCDMN COc1ccc(CNCc2cccc(N(C)C)n2)cc1Cn1cccn1 ZINC000873098271 1013384707 /nfs/dbraw/zinc/38/47/07/1013384707.db2.gz MMYVUSYNAHDZLZ-UHFFFAOYSA-N 0 1 351.454 2.691 20 10 FFCDMN CCOC(=O)Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001167434101 963175670 /nfs/dbraw/zinc/17/56/70/963175670.db2.gz BPDZLLGZTHMYCV-UHFFFAOYSA-N 0 1 368.481 2.551 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2[O-])C1=O ZINC001276086504 1013433658 /nfs/dbraw/zinc/43/36/58/1013433658.db2.gz RUQRJTRHYQBQFB-IBGZPJMESA-N 0 1 350.434 2.523 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C[C@@H](C)O)C2CC2)C1 ZINC000655372316 964094357 /nfs/dbraw/zinc/09/43/57/964094357.db2.gz OFJQJQFFEUCYNZ-MRXNPFEDSA-N 0 1 369.509 2.780 20 10 FFCDMN COC(=O)c1c(CNCc2n[nH]c(C(C)C)n2)c2cc(F)ccc2n1C ZINC000894877240 966017731 /nfs/dbraw/zinc/01/77/31/966017731.db2.gz SQKDBCOENCOOSI-UHFFFAOYSA-N 0 1 359.405 2.635 20 10 FFCDMN COc1ccc(CNc2ccccc2N2CCN(C)CC2)c(O)c1OC ZINC000892300663 966958782 /nfs/dbraw/zinc/95/87/82/966958782.db2.gz PRBKXLMTQLOAFP-UHFFFAOYSA-N 0 1 357.454 2.773 20 10 FFCDMN CCOc1ccc(O)c(CNc2ccc3c(c2)nc(C)n3C(CO)CO)c1 ZINC000894927696 967107554 /nfs/dbraw/zinc/10/75/54/967107554.db2.gz XIOCAUNXPRIEEB-UHFFFAOYSA-N 0 1 371.437 2.587 20 10 FFCDMN COc1ccc(N2CCCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000052465266 967613258 /nfs/dbraw/zinc/61/32/58/967613258.db2.gz LIOAAAHBOMVYHQ-QZTJIDSGSA-N 0 1 359.514 2.712 20 10 FFCDMN Oc1cc2c(cc1CN1CC(c3nc(-c4ccccc4)no3)C1)OCO2 ZINC000897319982 974228952 /nfs/dbraw/zinc/22/89/52/974228952.db2.gz GKYMZPHXRPKTLB-UHFFFAOYSA-N 0 1 351.362 2.770 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000893608237 975914035 /nfs/dbraw/zinc/91/40/35/975914035.db2.gz UALRZNHJNRYEPN-IBGZPJMESA-N 0 1 357.498 2.546 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898854342 976734770 /nfs/dbraw/zinc/73/47/70/976734770.db2.gz LFBMOJDBSKLNMV-ZDUSSCGKSA-N 0 1 371.466 2.708 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898854342 976734781 /nfs/dbraw/zinc/73/47/81/976734781.db2.gz LFBMOJDBSKLNMV-ZDUSSCGKSA-N 0 1 371.466 2.708 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000796582322 1014413442 /nfs/dbraw/zinc/41/34/42/1014413442.db2.gz WCTGFGSMXKHFOX-OAQYLSRUSA-N 0 1 371.456 2.922 20 10 FFCDMN Oc1cccc2c1CN(Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000877702973 1014689997 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2.820 20 10 FFCDMN Cc1cc(C)c(O)c(CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000754727269 1023508716 /nfs/dbraw/zinc/50/87/16/1023508716.db2.gz VGXJEWWUSLTORY-UHFFFAOYSA-N 0 1 373.541 2.918 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CC=CCC3)cc2F)CC1 ZINC000077594405 1023642341 /nfs/dbraw/zinc/64/23/41/1023642341.db2.gz POHVSNMHHYQBKI-KRWDZBQOSA-N 0 1 360.477 2.876 20 10 FFCDMN Cc1cc(O)c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1C(C)C ZINC000755940694 1023653797 /nfs/dbraw/zinc/65/37/97/1023653797.db2.gz YJMYIOXOWSVMIC-SFHVURJKSA-N 0 1 373.541 2.953 20 10 FFCDMN Cc1cc(CCNC(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000779329826 1023676379 /nfs/dbraw/zinc/67/63/79/1023676379.db2.gz RQCDACBGGUHSJN-CQSZACIVSA-N 0 1 352.442 2.815 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756391934 1023704172 /nfs/dbraw/zinc/70/41/72/1023704172.db2.gz HYLORJFHZQTHKE-ZDUSSCGKSA-N 0 1 362.424 2.668 20 10 FFCDMN COC(=O)c1cc2ccccc2c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000756865455 1023761715 /nfs/dbraw/zinc/76/17/15/1023761715.db2.gz ZWSOKGRZERUMDE-MOPGFXCFSA-N 0 1 371.433 2.712 20 10 FFCDMN O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1C[NH2+]CCC1(F)F ZINC001218447695 1033160985 /nfs/dbraw/zinc/16/09/85/1033160985.db2.gz KZMUHBPXCYZCOT-AWEZNQCLSA-N 0 1 359.328 2.544 20 10 FFCDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001137834748 1033171586 /nfs/dbraw/zinc/17/15/86/1033171586.db2.gz RKBVUGKUZMNAOI-YJYMSZOUSA-N 0 1 362.376 2.593 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(F)c(C)c3)CC2)cc1 ZINC000758225948 1023975296 /nfs/dbraw/zinc/97/52/96/1023975296.db2.gz WOOLTDXCLMUKLN-GOSISDBHSA-N 0 1 374.456 2.705 20 10 FFCDMN CCN1C[C@@H](C)N(Cc2cc(Cl)cc(Br)c2O)CC1=O ZINC001141374278 1026071409 /nfs/dbraw/zinc/07/14/09/1026071409.db2.gz DIYGOMKLPGOTQK-SECBINFHSA-N 0 1 361.667 2.861 20 10 FFCDMN CCc1nc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n[nH]1 ZINC000838626668 1026444966 /nfs/dbraw/zinc/44/49/66/1026444966.db2.gz PBMRKOWCIBPVRN-UHFFFAOYSA-N 0 1 355.398 2.578 20 10 FFCDMN COCC1CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000640562708 1026799026 /nfs/dbraw/zinc/79/90/26/1026799026.db2.gz ORYWYKVFZBLLCM-UHFFFAOYSA-N 0 1 355.482 2.513 20 10 FFCDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001160594900 1027767158 /nfs/dbraw/zinc/76/71/58/1027767158.db2.gz XGWUMFQDTVPUCL-UHFFFAOYSA-N 0 1 371.437 2.559 20 10 FFCDMN COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cc(C)ccc3O)C2=O)c1 ZINC000093840872 1027851619 /nfs/dbraw/zinc/85/16/19/1027851619.db2.gz ZNOOJNZENJAIMS-LJQANCHMSA-N 0 1 370.449 2.955 20 10 FFCDMN COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3cc(C)ccc3O)C2=O)c1 ZINC000093840872 1027851628 /nfs/dbraw/zinc/85/16/28/1027851628.db2.gz ZNOOJNZENJAIMS-LJQANCHMSA-N 0 1 370.449 2.955 20 10 FFCDMN CCOC(=O)c1cc(C)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156656378 1029290248 /nfs/dbraw/zinc/29/02/48/1029290248.db2.gz RGWQMOBRAGYKAS-UHFFFAOYSA-N 0 1 368.481 2.931 20 10 FFCDMN C[C@H]1CNCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841160070 1030082534 /nfs/dbraw/zinc/08/25/34/1030082534.db2.gz AMEFRRILCBLYDX-AWEZNQCLSA-N 0 1 351.410 2.861 20 10 FFCDMN O=C(COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC000783656224 1030213027 /nfs/dbraw/zinc/21/30/27/1030213027.db2.gz WEDIKHDJWFMYNR-KRWDZBQOSA-N 0 1 369.417 2.736 20 10 FFCDMN O=C(COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC000783656224 1030213042 /nfs/dbraw/zinc/21/30/42/1030213042.db2.gz WEDIKHDJWFMYNR-KRWDZBQOSA-N 0 1 369.417 2.736 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC000841810327 1030482101 /nfs/dbraw/zinc/48/21/01/1030482101.db2.gz BENTYWYBEBKMJC-QUCCMNQESA-N 0 1 359.514 2.952 20 10 FFCDMN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203575459 1030770571 /nfs/dbraw/zinc/77/05/71/1030770571.db2.gz OLIYHXPVVCWIFT-VNHYZAJKSA-N 0 1 373.280 2.672 20 10 FFCDMN COCCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203657093 1030808491 /nfs/dbraw/zinc/80/84/91/1030808491.db2.gz DNAPAHNNICDTHV-UHFFFAOYSA-N 0 1 352.862 2.649 20 10 FFCDMN COc1ccc(O)c(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001203677972 1030824834 /nfs/dbraw/zinc/82/48/34/1030824834.db2.gz CYHOPJZAVSRADY-UHFFFAOYSA-N 0 1 368.359 2.532 20 10 FFCDMN CN1CCN(c2ccc(CNCC(F)(F)C3(O)CCCCC3)cc2)CC1 ZINC001204011715 1031037262 /nfs/dbraw/zinc/03/72/62/1031037262.db2.gz HEWIIEAHJFNTET-UHFFFAOYSA-N 0 1 367.484 2.859 20 10 FFCDMN CC(C)(C)c1cccc(CN2CCCn3cnc(COCCO)c3C2)c1O ZINC001143105527 1031236288 /nfs/dbraw/zinc/23/62/88/1031236288.db2.gz ZIORQXWVJBNLFS-UHFFFAOYSA-N 0 1 373.497 2.801 20 10 FFCDMN O=C1CN(Cc2cc(Br)cc(F)c2O)[C@@H]2CCCC[C@@H]2N1 ZINC001204430917 1031283058 /nfs/dbraw/zinc/28/30/58/1031283058.db2.gz LKHBCVGWZJLMNO-QWHCGFSZSA-N 0 1 357.223 2.537 20 10 FFCDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1COCCN1 ZINC000843487497 1031425065 /nfs/dbraw/zinc/42/50/65/1031425065.db2.gz HSQDTMRWHRIOIL-VQIMIIECSA-N 0 1 354.450 2.861 20 10 FFCDMN CC[C@H]1CN(C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219191029 1033547765 /nfs/dbraw/zinc/54/77/65/1033547765.db2.gz FTAARUXDMNXOGA-HNNXBMFYSA-N 0 1 364.453 2.954 20 10 FFCDMN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138127308 1033809777 /nfs/dbraw/zinc/80/97/77/1033809777.db2.gz WKDQSYNHPHOQSW-OXQOHEQNSA-N 0 1 372.444 2.581 20 10 FFCDMN C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000831139458 1033963791 /nfs/dbraw/zinc/96/37/91/1033963791.db2.gz CLLGDBLGTWEYFF-HXUWFJFHSA-N 0 1 358.413 2.879 20 10 FFCDMN C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000831139458 1033963806 /nfs/dbraw/zinc/96/38/06/1033963806.db2.gz CLLGDBLGTWEYFF-HXUWFJFHSA-N 0 1 358.413 2.879 20 10 FFCDMN Cc1c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c2ccccc2n1C ZINC001138252952 1034022950 /nfs/dbraw/zinc/02/29/50/1034022950.db2.gz XZWVFTNMZNPZLK-INIZCTEOSA-N 0 1 373.497 2.900 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C)c1O ZINC001277025640 1034168448 /nfs/dbraw/zinc/16/84/48/1034168448.db2.gz GALDONJIAITBJC-XOBRGWDASA-N 0 1 362.445 2.774 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)cc(C)c1O ZINC001277025640 1034168457 /nfs/dbraw/zinc/16/84/57/1034168457.db2.gz GALDONJIAITBJC-XOBRGWDASA-N 0 1 362.445 2.774 20 10 FFCDMN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC001138357781 1034194421 /nfs/dbraw/zinc/19/44/21/1034194421.db2.gz KDGFTOXDGFUOSB-CEWLAPEOSA-N 0 1 371.525 2.573 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)N(C)C)CC2)c(OC)c1 ZINC001138392368 1034228653 /nfs/dbraw/zinc/22/86/53/1034228653.db2.gz VOENVTUYYFEJRC-UHFFFAOYSA-N 0 1 362.518 2.777 20 10 FFCDMN Cc1cccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138495136 1034332749 /nfs/dbraw/zinc/33/27/49/1034332749.db2.gz SUAAKYMQVISRRQ-UHFFFAOYSA-N 0 1 352.482 2.549 20 10 FFCDMN C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc(N(C)C)cc1 ZINC001226646845 1034770088 /nfs/dbraw/zinc/77/00/88/1034770088.db2.gz IYCQSFCJHAYQGH-JCGIZDLHSA-N 0 1 362.543 2.693 20 10 FFCDMN C[C@H](NC(=O)N[C@H]1CCCN2CCSC[C@H]12)c1ccc(N(C)C)cc1 ZINC001226646845 1034770104 /nfs/dbraw/zinc/77/01/04/1034770104.db2.gz IYCQSFCJHAYQGH-JCGIZDLHSA-N 0 1 362.543 2.693 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@H](CCCO)C2)c(C)n1-c1ccc(F)cn1 ZINC000832787346 1034970999 /nfs/dbraw/zinc/97/09/99/1034970999.db2.gz VLNNVJSRNUEXFE-INIZCTEOSA-N 0 1 359.445 2.905 20 10 FFCDMN Cc1cc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)ccc1N(C)C ZINC001139674032 1035195394 /nfs/dbraw/zinc/19/53/94/1035195394.db2.gz LIASFOSUPIPOHF-LJQANCHMSA-N 0 1 352.482 2.850 20 10 FFCDMN CCN1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001140103031 1035342679 /nfs/dbraw/zinc/34/26/79/1035342679.db2.gz FEZBXUUOQJPULJ-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285970 1035419007 /nfs/dbraw/zinc/41/90/07/1035419007.db2.gz HFUFAGDHCKXXDS-FQEVSTJZSA-N 0 1 359.514 2.528 20 10 FFCDMN CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285970 1035419010 /nfs/dbraw/zinc/41/90/10/1035419010.db2.gz HFUFAGDHCKXXDS-FQEVSTJZSA-N 0 1 359.514 2.528 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140338872 1035443911 /nfs/dbraw/zinc/44/39/11/1035443911.db2.gz AANVEEMVJXLTEO-KUHUBIRLSA-N 0 1 360.841 2.968 20 10 FFCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140338872 1035443913 /nfs/dbraw/zinc/44/39/13/1035443913.db2.gz AANVEEMVJXLTEO-KUHUBIRLSA-N 0 1 360.841 2.968 20 10 FFCDMN O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140464825 1035485773 /nfs/dbraw/zinc/48/57/73/1035485773.db2.gz CYLXNSCYDZMYGJ-HZPDHXFCSA-N 0 1 357.841 2.645 20 10 FFCDMN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232259872 1035531149 /nfs/dbraw/zinc/53/11/49/1035531149.db2.gz LWTUPZWHCOTZMZ-MGPUTAFESA-N 0 1 372.852 2.857 20 10 FFCDMN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232259872 1035531158 /nfs/dbraw/zinc/53/11/58/1035531158.db2.gz LWTUPZWHCOTZMZ-MGPUTAFESA-N 0 1 372.852 2.857 20 10 FFCDMN CCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(OC)cc3[O-])C2)C1=O ZINC001232265175 1035536347 /nfs/dbraw/zinc/53/63/47/1035536347.db2.gz HPOQOHTXHZLXPA-SFHVURJKSA-N 0 1 352.862 2.889 20 10 FFCDMN CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(OC)cc3[O-])C2)C1=O ZINC001232265175 1035536352 /nfs/dbraw/zinc/53/63/52/1035536352.db2.gz HPOQOHTXHZLXPA-SFHVURJKSA-N 0 1 352.862 2.889 20 10 FFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001232265830 1035538909 /nfs/dbraw/zinc/53/89/09/1035538909.db2.gz BIITXZYMCFAXKT-GOSISDBHSA-N 0 1 360.845 2.699 20 10 FFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001232265830 1035538911 /nfs/dbraw/zinc/53/89/11/1035538911.db2.gz BIITXZYMCFAXKT-GOSISDBHSA-N 0 1 360.845 2.699 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)C1=O ZINC001277212674 1035572827 /nfs/dbraw/zinc/57/28/27/1035572827.db2.gz KXPKNZYGQKPUKI-IBGZPJMESA-N 0 1 366.889 2.957 20 10 FFCDMN 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Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c(O)c1O ZINC001319947043 1045310344 /nfs/dbraw/zinc/31/03/44/1045310344.db2.gz PZWFLFJTQSMWAQ-UHFFFAOYSA-N 0 1 355.438 2.719 20 10 FFCDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC001320950833 1045500567 /nfs/dbraw/zinc/50/05/67/1045500567.db2.gz BTTADOCUXKSLHJ-UHFFFAOYSA-N 0 1 359.386 2.583 20 10 FFCDMN Cc1cc2[nH]ncc2cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001474787429 1046108307 /nfs/dbraw/zinc/10/83/07/1046108307.db2.gz IXRFITQMFLKQFB-UHFFFAOYSA-N 0 1 358.467 2.758 20 10 FFCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2coc(CN)c2)cc1 ZINC001327107357 1047190894 /nfs/dbraw/zinc/19/08/94/1047190894.db2.gz QMCOQEOWPQQJHE-GOSISDBHSA-N 0 1 357.454 2.626 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccnn2C)C1 ZINC001289920634 1047794455 /nfs/dbraw/zinc/79/44/55/1047794455.db2.gz BTPXNBLTOXANDN-UHFFFAOYSA-N 0 1 365.481 2.804 20 10 FFCDMN COc1ccc2nc([C@H](C)NC(=O)C=Cc3ccc(O)c(O)c3)[nH]c2c1 ZINC001296766344 1050091188 /nfs/dbraw/zinc/09/11/88/1050091188.db2.gz BUXBENUTWYOOGP-OHYQPGSNSA-N 0 1 353.378 2.873 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3ccc4n3CCN[C@@H]4C)CC2)cc1 ZINC001341569421 1050196654 /nfs/dbraw/zinc/19/66/54/1050196654.db2.gz OEIJUZDZTGEIHT-MRXNPFEDSA-N 0 1 368.481 2.513 20 10 FFCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001308892950 1052514039 /nfs/dbraw/zinc/51/40/39/1052514039.db2.gz PZTDQVILXJCFEQ-AWEZNQCLSA-N 0 1 355.276 2.954 20 10 FFCDMN CCc1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000848880573 1055292122 /nfs/dbraw/zinc/29/21/22/1055292122.db2.gz QOEXGFYEMAPYBA-UHFFFAOYSA-N 0 1 350.466 2.920 20 10 FFCDMN CCc1cccc(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1O ZINC000848884098 1055301031 /nfs/dbraw/zinc/30/10/31/1055301031.db2.gz XDDSWJSCUKJTBN-UHFFFAOYSA-N 0 1 356.441 2.981 20 10 FFCDMN O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001338235853 1055346109 /nfs/dbraw/zinc/34/61/09/1055346109.db2.gz VHJXOVCPFDOBSG-SNVBAGLBSA-N 0 1 371.250 2.784 20 10 FFCDMN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)OCc1ccccc1 ZINC000848921142 1055368119 /nfs/dbraw/zinc/36/81/19/1055368119.db2.gz OUZDMCWEYPKGSQ-SFHVURJKSA-N 0 1 367.493 2.660 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640567 1060385187 /nfs/dbraw/zinc/38/51/87/1060385187.db2.gz RYAQIVDNPNGZSN-AYOQOUSVSA-N 0 1 359.514 2.663 20 10 FFCDMN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(F)c1O ZINC001460741826 1061081957 /nfs/dbraw/zinc/08/19/57/1061081957.db2.gz QWLHNFBQGOBCKR-UHFFFAOYSA-N 0 1 366.339 2.576 20 10 FFCDMN Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c(O)c1 ZINC001461955195 1061460868 /nfs/dbraw/zinc/46/08/68/1061460868.db2.gz IFBNPIKSBHVHNE-QFBILLFUSA-N 0 1 359.514 2.513 20 10 FFCDMN CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@@H+](C)C2)n1CC1CC1 ZINC001527786182 1061623297 /nfs/dbraw/zinc/62/32/97/1061623297.db2.gz WKGIOPWYGYDVGG-QGZVFWFLSA-N 0 1 355.486 2.839 20 10 FFCDMN Cc1cc2[nH]ncc2cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC001462927283 1061847567 /nfs/dbraw/zinc/84/75/67/1061847567.db2.gz DHDSHMBOJDDDBN-UHFFFAOYSA-N 0 1 370.478 2.732 20 10 FFCDMN Cc1cc(C(=O)NC[C@@H](O)c2cnc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC001528869343 1062069373 /nfs/dbraw/zinc/06/93/73/1062069373.db2.gz FTCNLJITZQDEPY-LJQANCHMSA-N 0 1 352.438 2.897 20 10 FFCDMN CC1CCC(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001533682917 1063372895 /nfs/dbraw/zinc/37/28/95/1063372895.db2.gz GGHGHRTZZPNBPT-UHFFFAOYSA-N 0 1 359.514 2.650 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CNc3ccccc3Cl)cc2)CC1 ZINC001471563372 1064717599 /nfs/dbraw/zinc/71/75/99/1064717599.db2.gz FAEQJLLZVXXLAP-UHFFFAOYSA-N 0 1 372.900 2.820 20 10 FFCDMN [O-]c1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)ccc(F)c1F ZINC001474381258 1065508269 /nfs/dbraw/zinc/50/82/69/1065508269.db2.gz SINGROYIYQKLEW-UHFFFAOYSA-N 0 1 362.405 2.997 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510528 1065539884 /nfs/dbraw/zinc/53/98/84/1065539884.db2.gz KPXQGPYAZZUERB-KGLIPLIRSA-N 0 1 370.396 2.540 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@H](Cc2c[nH]nn2)c2ccccc2)cc1 ZINC001577730044 1078392399 /nfs/dbraw/zinc/39/23/99/1078392399.db2.gz ATQVXTWLOCXKJW-MRXNPFEDSA-N 0 1 363.381 2.681 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@H](Cc2cnn[nH]2)c2ccccc2)cc1 ZINC001577730044 1078392402 /nfs/dbraw/zinc/39/24/02/1078392402.db2.gz ATQVXTWLOCXKJW-MRXNPFEDSA-N 0 1 363.381 2.681 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC001565273102 1076708010 /nfs/dbraw/zinc/70/80/10/1076708010.db2.gz MLLKCBBTAXECML-LJQANCHMSA-N 0 1 356.514 2.770 20 10 FFCDMN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000369077836 512217691 /nfs/dbraw/zinc/21/76/91/512217691.db2.gz NGQTTYYAMZTUTN-AWEZNQCLSA-N 0 1 350.378 2.860 20 10 FFCDMN COc1ccc(N2CCC(N[C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000066940604 506705289 /nfs/dbraw/zinc/70/52/89/506705289.db2.gz JIWKNJOFULBUDU-IBGZPJMESA-N 0 1 357.429 2.619 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125787839 509029555 /nfs/dbraw/zinc/02/95/55/509029555.db2.gz ZHQRNVACAKVROQ-MLGOLLRUSA-N 0 1 350.846 2.739 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1O ZINC000173408214 509579061 /nfs/dbraw/zinc/57/90/61/509579061.db2.gz DTDXTUFLFVHGGI-MRXNPFEDSA-N 0 1 361.417 2.642 20 10 FFCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180417604 509916674 /nfs/dbraw/zinc/91/66/74/509916674.db2.gz MBWTWSQOWCLEDW-CQSZACIVSA-N 0 1 356.426 2.628 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000269916960 510596591 /nfs/dbraw/zinc/59/65/91/510596591.db2.gz JTCFIYDTXPAYBM-RDJZCZTQSA-N 0 1 366.255 2.729 20 10 FFCDMN Cn1cc(-c2cc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)on2)cn1 ZINC000185032868 510645190 /nfs/dbraw/zinc/64/51/90/510645190.db2.gz TUVQOKFWLKQFBP-KRWDZBQOSA-N 0 1 368.437 2.962 20 10 FFCDMN C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@@H+]1C1CC1 ZINC000277613659 510967053 /nfs/dbraw/zinc/96/70/53/510967053.db2.gz VWCLQSQGPXVKTG-PWSUYJOCSA-N 0 1 368.275 2.579 20 10 FFCDMN C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@H+]1C1CC1 ZINC000277613659 510967058 /nfs/dbraw/zinc/96/70/58/510967058.db2.gz VWCLQSQGPXVKTG-PWSUYJOCSA-N 0 1 368.275 2.579 20 10 FFCDMN CC(C)[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000278368666 510990740 /nfs/dbraw/zinc/99/07/40/510990740.db2.gz MFWPJBKQTLSAGL-UHFFFAOYSA-N 0 1 370.291 2.827 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1[O-] ZINC000278677818 511003011 /nfs/dbraw/zinc/00/30/11/511003011.db2.gz OOVJMGCJWOSRIL-ZDUSSCGKSA-N 0 1 366.889 2.933 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1[O-] ZINC000278677818 511003015 /nfs/dbraw/zinc/00/30/15/511003015.db2.gz OOVJMGCJWOSRIL-ZDUSSCGKSA-N 0 1 366.889 2.933 20 10 FFCDMN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750721 511006473 /nfs/dbraw/zinc/00/64/73/511006473.db2.gz SDXWIMXZGJCXSU-SMDDNHRTSA-N 0 1 364.269 2.545 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287597846 511053026 /nfs/dbraw/zinc/05/30/26/511053026.db2.gz YPNKOMPONOLWHT-ZDUSSCGKSA-N 0 1 350.846 2.693 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287597846 511053029 /nfs/dbraw/zinc/05/30/29/511053029.db2.gz YPNKOMPONOLWHT-ZDUSSCGKSA-N 0 1 350.846 2.693 20 10 FFCDMN CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291686561 511298173 /nfs/dbraw/zinc/29/81/73/511298173.db2.gz XROBUAJIEIVHFV-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291686561 511298178 /nfs/dbraw/zinc/29/81/78/511298178.db2.gz XROBUAJIEIVHFV-GFCCVEGCSA-N 0 1 360.376 2.681 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3cc(F)ncc3F)cc2F)CC1 ZINC000295189039 511314664 /nfs/dbraw/zinc/31/46/64/511314664.db2.gz NTQDROKACLSHNX-UHFFFAOYSA-N 0 1 364.415 2.931 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000295790244 511515678 /nfs/dbraw/zinc/51/56/78/511515678.db2.gz ZMEWEYZAEKUAAV-UONOGXRCSA-N 0 1 356.397 2.515 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000295790244 511515684 /nfs/dbraw/zinc/51/56/84/511515684.db2.gz ZMEWEYZAEKUAAV-UONOGXRCSA-N 0 1 356.397 2.515 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC[C@H]2C)C1 ZINC000435972253 513729671 /nfs/dbraw/zinc/72/96/71/513729671.db2.gz CFAVEYONLADAHU-APWZRJJASA-N 0 1 369.509 2.949 20 10 FFCDMN CCn1cnnc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000552670635 517342851 /nfs/dbraw/zinc/34/28/51/517342851.db2.gz VQXJUWQJHOYGFC-UHFFFAOYSA-N 0 1 366.469 2.658 20 10 FFCDMN CCN1CCN(c2ccc(C[NH2+]C3CCC(C(=O)[O-])CC3)cc2F)CC1 ZINC000820353777 598105803 /nfs/dbraw/zinc/10/58/03/598105803.db2.gz CCAKKTBBOGERGY-UHFFFAOYSA-N 0 1 363.477 2.701 20 10 FFCDMN CCOCc1cc(CNCc2cc(-c3nn[nH]n3)ccc2F)ccc1OC ZINC000821383957 599456223 /nfs/dbraw/zinc/45/62/23/599456223.db2.gz NBOAKBYMLFTFIW-UHFFFAOYSA-N 0 1 371.416 2.841 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830830538 601616317 /nfs/dbraw/zinc/61/63/17/601616317.db2.gz GVCGYPNJIBLQAW-UHFFFAOYSA-N 0 1 358.413 2.993 20 10 FFCDMN COc1cc(Br)cc(CN2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000155541213 728831435 /nfs/dbraw/zinc/83/14/35/728831435.db2.gz RBTBFHXWNBLWPM-LBPRGKRZSA-N 0 1 371.275 2.511 20 10 FFCDMN CN(c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)S(C)(=O)=O ZINC000898287571 735336844 /nfs/dbraw/zinc/33/68/44/735336844.db2.gz YJMHWVBUZMBLRH-UHFFFAOYSA-N 0 1 354.859 2.731 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CSc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000031800580 727918012 /nfs/dbraw/zinc/91/80/12/727918012.db2.gz MNEPNUNWTIISOF-UHFFFAOYSA-N 0 1 361.515 2.919 20 10 FFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000063849140 728138977 /nfs/dbraw/zinc/13/89/77/728138977.db2.gz QOXOXHOWRXUQOM-UHFFFAOYSA-N 0 1 372.443 2.778 20 10 FFCDMN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079406658 728312683 /nfs/dbraw/zinc/31/26/83/728312683.db2.gz WDUUPUJSGAKZKH-AWEZNQCLSA-N 0 1 350.434 2.862 20 10 FFCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079406658 728312686 /nfs/dbraw/zinc/31/26/86/728312686.db2.gz WDUUPUJSGAKZKH-AWEZNQCLSA-N 0 1 350.434 2.862 20 10 FFCDMN CCCCNC(=O)[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079406658 728312692 /nfs/dbraw/zinc/31/26/92/728312692.db2.gz WDUUPUJSGAKZKH-AWEZNQCLSA-N 0 1 350.434 2.862 20 10 FFCDMN CCN(CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])S(C)(=O)=O ZINC000194187724 729502287 /nfs/dbraw/zinc/50/22/87/729502287.db2.gz ZGTUNBGJLFLYNP-AWEZNQCLSA-N 0 1 350.484 2.868 20 10 FFCDMN COC1(OC)CC[C@@H]1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924718478 738441218 /nfs/dbraw/zinc/44/12/18/738441218.db2.gz YWIXDOKLNGKHIM-IYOUNJFTSA-N 0 1 352.450 2.680 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000858106471 730416689 /nfs/dbraw/zinc/41/66/89/730416689.db2.gz JPOMEHBKLMIFCH-CQSZACIVSA-N 0 1 366.259 2.511 20 10 FFCDMN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858186659 730419110 /nfs/dbraw/zinc/41/91/10/730419110.db2.gz IIISGTOPAVUIBO-JMSVASOKSA-N 0 1 358.276 2.810 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(Cl)c1 ZINC000858306959 730422336 /nfs/dbraw/zinc/42/23/36/730422336.db2.gz XCRZVVADFKPSFV-INIZCTEOSA-N 0 1 361.873 2.740 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1[O-] ZINC000858564299 730428934 /nfs/dbraw/zinc/42/89/34/730428934.db2.gz KBCWSRCHKJHBGA-WMLDXEAASA-N 0 1 361.873 2.992 20 10 FFCDMN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161905 738484297 /nfs/dbraw/zinc/48/42/97/738484297.db2.gz RMGNSBANPHFSMP-QWHCGFSZSA-N 0 1 351.401 2.736 20 10 FFCDMN CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247769 730681288 /nfs/dbraw/zinc/68/12/88/730681288.db2.gz BVGHVLYZSBUWSH-ROUUACIJSA-N 0 1 354.441 2.783 20 10 FFCDMN COC(C)(C)c1nsc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000865295582 730936106 /nfs/dbraw/zinc/93/61/06/730936106.db2.gz IKCUBZSUKBBJJD-UHFFFAOYSA-N 0 1 361.515 2.784 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865777741 730996414 /nfs/dbraw/zinc/99/64/14/730996414.db2.gz BLRSTZAHVIZZTR-LBPRGKRZSA-N 0 1 356.260 2.830 20 10 FFCDMN CC[N@@H+](Cc1cc(C(=O)[O-])nn1C)Cc1cc(Br)ccc1O ZINC000874039422 731999993 /nfs/dbraw/zinc/99/99/93/731999993.db2.gz KABMQKNKEOSSIO-UHFFFAOYSA-N 0 1 368.231 2.609 20 10 FFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876545101 732255511 /nfs/dbraw/zinc/25/55/11/732255511.db2.gz AFHZVOXNWCOMNU-SNVBAGLBSA-N 0 1 356.394 2.511 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2)CC1 ZINC000878414714 732528813 /nfs/dbraw/zinc/52/88/13/732528813.db2.gz SFCFHVZXEBYXSC-UHFFFAOYSA-N 0 1 359.861 2.809 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](c3nccs3)C2)cc1 ZINC000880314928 732885872 /nfs/dbraw/zinc/88/58/72/732885872.db2.gz HHDMTVFPLZZBON-MRXNPFEDSA-N 0 1 358.511 2.657 20 10 FFCDMN CC(C)c1ncsc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853274 733120543 /nfs/dbraw/zinc/12/05/43/733120543.db2.gz PAUBYGVVHBRHSF-UHFFFAOYSA-N 0 1 358.511 2.948 20 10 FFCDMN COCc1sccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881854308 733120647 /nfs/dbraw/zinc/12/06/47/733120647.db2.gz AXEMLCRVYBISAO-UHFFFAOYSA-N 0 1 359.495 2.576 20 10 FFCDMN Cn1nccc1[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC000883155014 733343678 /nfs/dbraw/zinc/34/36/78/733343678.db2.gz YJELJUXNIUDOLI-CQSZACIVSA-N 0 1 353.369 2.577 20 10 FFCDMN C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000883308695 733366310 /nfs/dbraw/zinc/36/63/10/733366310.db2.gz VUAILOPIIFGNNV-ZYHUDNBSSA-N 0 1 362.289 2.773 20 10 FFCDMN CCSC1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000883778611 733438015 /nfs/dbraw/zinc/43/80/15/733438015.db2.gz DZXDDWDZKLKAGD-UHFFFAOYSA-N 0 1 362.543 2.523 20 10 FFCDMN COC1CC[NH+](C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000892883717 734618043 /nfs/dbraw/zinc/61/80/43/734618043.db2.gz DITFVQRTPQBSEZ-UHFFFAOYSA-N 0 1 369.893 2.734 20 10 FFCDMN CN(c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1)S(C)(=O)=O ZINC000733326702 734809621 /nfs/dbraw/zinc/80/96/21/734809621.db2.gz UMNMMYPGTZNKBI-UHFFFAOYSA-N 0 1 354.859 2.731 20 10 FFCDMN O=C([C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780427 734915604 /nfs/dbraw/zinc/91/56/04/734915604.db2.gz CVQUSOCETSPVNK-NSHDSACASA-N 0 1 371.250 2.738 20 10 FFCDMN CCOC(=O)[C@@]1(F)CN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1CC ZINC000896061380 735095872 /nfs/dbraw/zinc/09/58/72/735095872.db2.gz CCIVAJYMDZRPBE-SCLBCKFNSA-N 0 1 355.406 2.523 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1[O-] ZINC000903534874 736109403 /nfs/dbraw/zinc/10/94/03/736109403.db2.gz UIPIBLOOCXKYAJ-OLZOCXBDSA-N 0 1 350.768 2.960 20 10 FFCDMN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756523636 736338657 /nfs/dbraw/zinc/33/86/57/736338657.db2.gz CYHGDQMLZMPTAJ-XJKSGUPXSA-N 0 1 353.894 2.639 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000757659108 736416798 /nfs/dbraw/zinc/41/67/98/736416798.db2.gz YSDCBOJIKPEKDF-SWLSCSKDSA-N 0 1 362.861 2.621 20 10 FFCDMN CC[NH+]1CCC(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764790947 737050180 /nfs/dbraw/zinc/05/01/80/737050180.db2.gz LAIPQQZRRMSXPW-UHFFFAOYSA-N 0 1 370.291 2.686 20 10 FFCDMN CN(C)c1ccncc1C(=O)NCc1cccc(Br)c1O ZINC000765731243 737150240 /nfs/dbraw/zinc/15/02/40/737150240.db2.gz IMTYAYSKMVKUMR-UHFFFAOYSA-N 0 1 350.216 2.546 20 10 FFCDMN C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000769986048 737587918 /nfs/dbraw/zinc/58/79/18/737587918.db2.gz GPQKHAABLFWVJP-QMMMGPOBSA-N 0 1 370.226 2.541 20 10 FFCDMN CO[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416586 737724746 /nfs/dbraw/zinc/72/47/46/737724746.db2.gz IIIFDQKQMPPGAL-DOTOQJQBSA-N 0 1 354.878 2.797 20 10 FFCDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107970 737871783 /nfs/dbraw/zinc/87/17/83/737871783.db2.gz SBXZUDNTUKESQC-AAEUAGOBSA-N 0 1 350.356 2.626 20 10 FFCDMN O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4occc43)cc2)CC1 ZINC000774188481 737967721 /nfs/dbraw/zinc/96/77/21/737967721.db2.gz SKZYPGWTVQDDGN-SFHVURJKSA-N 0 1 360.479 2.682 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cs1 ZINC000775291171 738079897 /nfs/dbraw/zinc/07/98/97/738079897.db2.gz CKUZULUATXFANS-UHFFFAOYSA-N 0 1 355.437 2.966 20 10 FFCDMN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000775820098 738129367 /nfs/dbraw/zinc/12/93/67/738129367.db2.gz SWFPDJFTEPGIDI-WCQYABFASA-N 0 1 352.406 2.690 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000776015146 738152115 /nfs/dbraw/zinc/15/21/15/738152115.db2.gz UNSXTMKEMNQYIZ-OLZOCXBDSA-N 0 1 372.259 2.697 20 10 FFCDMN CC(C)CN1C[C@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000787287980 739122998 /nfs/dbraw/zinc/12/29/98/739122998.db2.gz DJLHPVRNZFLMLX-GFCCVEGCSA-N 0 1 355.841 2.763 20 10 FFCDMN COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC000787419999 739135462 /nfs/dbraw/zinc/13/54/62/739135462.db2.gz BSVRYZZIDZJEOV-BXKDBHETSA-N 0 1 358.232 2.547 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])C1CC[NH+](C2CC2)CC1 ZINC000787583246 739148601 /nfs/dbraw/zinc/14/86/01/739148601.db2.gz YMLHNJYCXGMEPK-UHFFFAOYSA-N 0 1 353.260 2.645 20 10 FFCDMN CCCS(=O)(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789964172 739400397 /nfs/dbraw/zinc/40/03/97/739400397.db2.gz KDAXPHNZBIESRZ-UHFFFAOYSA-N 0 1 368.386 2.641 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1F ZINC000790416415 739451469 /nfs/dbraw/zinc/45/14/69/739451469.db2.gz XJBPEFPXISNCCO-UHFFFAOYSA-N 0 1 371.361 2.820 20 10 FFCDMN COC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(O)c1 ZINC000792179498 739647619 /nfs/dbraw/zinc/64/76/19/739647619.db2.gz HIEHASJUVVBKDA-INIZCTEOSA-N 0 1 369.776 2.903 20 10 FFCDMN CO[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237982 739653987 /nfs/dbraw/zinc/65/39/87/739653987.db2.gz LXYDUZUZRDIPPV-WBVHZDCISA-N 0 1 352.862 2.551 20 10 FFCDMN O=C(CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O)NC1CC1 ZINC000804964852 740920995 /nfs/dbraw/zinc/92/09/95/740920995.db2.gz XGISGMOATZTELI-UHFFFAOYSA-N 0 1 360.241 2.557 20 10 FFCDMN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805190565 740948656 /nfs/dbraw/zinc/94/86/56/740948656.db2.gz SFCCKKVAIAOUCT-WLTAIBSBSA-N 0 1 372.252 2.508 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)NCc2cc(Br)ccc2O)n[nH]1 ZINC000805218646 740950707 /nfs/dbraw/zinc/95/07/07/740950707.db2.gz IOMJJDFJKKZNCR-VIFPVBQESA-N 0 1 367.247 2.617 20 10 FFCDMN CCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000807511027 741138043 /nfs/dbraw/zinc/13/80/43/741138043.db2.gz CVGWWMJHTOSRJN-UHFFFAOYSA-N 0 1 358.181 2.504 20 10 FFCDMN Cc1ncccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511198 741138123 /nfs/dbraw/zinc/13/81/23/741138123.db2.gz HLRFDTZSZZXPAN-UHFFFAOYSA-N 0 1 354.193 2.657 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000807835880 741162831 /nfs/dbraw/zinc/16/28/31/741162831.db2.gz BITHCUCORLJNAG-NSHDSACASA-N 0 1 371.264 2.964 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000807835879 741162945 /nfs/dbraw/zinc/16/29/45/741162945.db2.gz BITHCUCORLJNAG-LLVKDONJSA-N 0 1 371.264 2.964 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1COCCN1C1CCCC1 ZINC000807840137 741163488 /nfs/dbraw/zinc/16/34/88/741163488.db2.gz QZTFOXODVBYOAH-OAHLLOKOSA-N 0 1 373.280 2.959 20 10 FFCDMN O=C([C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000809771948 741342072 /nfs/dbraw/zinc/34/20/72/741342072.db2.gz QLIHFLPXGJPLRA-ZDUSSCGKSA-N 0 1 353.260 2.599 20 10 FFCDMN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000809785982 741343679 /nfs/dbraw/zinc/34/36/79/741343679.db2.gz JZLSWDOIOZWCRV-CYBMUJFWSA-N 0 1 374.934 2.928 20 10 FFCDMN CCCN(CCC)c1ccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171405 741800395 /nfs/dbraw/zinc/80/03/95/741800395.db2.gz NHSKJCGMZARPNE-IBGZPJMESA-N 0 1 367.559 2.779 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816495182 742034244 /nfs/dbraw/zinc/03/42/44/742034244.db2.gz NBYVIHLDBCVWMT-VXGBXAGGSA-N 0 1 358.841 2.548 20 10 FFCDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(O)c1 ZINC000816590748 742044930 /nfs/dbraw/zinc/04/49/30/742044930.db2.gz KNAGURMJXJYFCD-MRXNPFEDSA-N 0 1 369.776 2.903 20 10 FFCDMN CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825113336 743211269 /nfs/dbraw/zinc/21/12/69/743211269.db2.gz ADTYXKGIIMKPGI-UHFFFAOYSA-N 0 1 360.907 2.648 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000825173388 743222183 /nfs/dbraw/zinc/22/21/83/743222183.db2.gz KDRWLLATHSPSRR-NSHDSACASA-N 0 1 353.182 2.881 20 10 FFCDMN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[O-] ZINC000825721266 743318034 /nfs/dbraw/zinc/31/80/34/743318034.db2.gz OZVDTJMBBAAAOY-CYBMUJFWSA-N 0 1 369.303 2.840 20 10 FFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[O-] ZINC000825721266 743318039 /nfs/dbraw/zinc/31/80/39/743318039.db2.gz OZVDTJMBBAAAOY-CYBMUJFWSA-N 0 1 369.303 2.840 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000825803907 743329482 /nfs/dbraw/zinc/32/94/82/743329482.db2.gz MFSBLPKQPAATFR-CZUORRHYSA-N 0 1 370.287 2.812 20 10 FFCDMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])CO2 ZINC000827066909 743498306 /nfs/dbraw/zinc/49/83/06/743498306.db2.gz VWCABXXKPUUSAF-AWEZNQCLSA-N 0 1 368.861 2.914 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000827944597 745005010 /nfs/dbraw/zinc/00/50/10/745005010.db2.gz KHYVHECGNXPXGD-GFCCVEGCSA-N 0 1 355.276 2.893 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000827944597 745005018 /nfs/dbraw/zinc/00/50/18/745005018.db2.gz KHYVHECGNXPXGD-GFCCVEGCSA-N 0 1 355.276 2.893 20 10 FFCDMN C[C@H]1C[C@@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000831543299 745544684 /nfs/dbraw/zinc/54/46/84/745544684.db2.gz DKJXMZZJIXWEIH-KWQFWETISA-N 0 1 354.255 2.686 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(F)c3O)[C@H](C)C2)[nH]n1 ZINC000835073630 745945193 /nfs/dbraw/zinc/94/51/93/745945193.db2.gz NCNRSBALXNKOJP-LLVKDONJSA-N 0 1 366.824 2.563 20 10 FFCDMN 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ZINC000106819831 728512115 /nfs/dbraw/zinc/51/21/15/728512115.db2.gz QEDSYAIKWLAGOH-AWEZNQCLSA-N 0 1 360.527 2.521 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C(C)C)C1=O ZINC000175285487 729092768 /nfs/dbraw/zinc/09/27/68/729092768.db2.gz CNBPPEHVQZEMQL-AWEZNQCLSA-N 0 1 355.276 2.986 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@]12CCCO2 ZINC000759170319 736552690 /nfs/dbraw/zinc/55/26/90/736552690.db2.gz AUHLBVBFLLAZBH-BZUAXINKSA-N 0 1 356.260 2.971 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@H](O)COc2ccc(F)cc2)cc1F ZINC000858107749 730416817 /nfs/dbraw/zinc/41/68/17/730416817.db2.gz XFPOPBXHZOBXRN-AWEZNQCLSA-N 0 1 354.372 2.699 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858186663 730419147 /nfs/dbraw/zinc/41/91/47/730419147.db2.gz IIISGTOPAVUIBO-ZOWXZIJZSA-N 0 1 358.276 2.810 20 10 FFCDMN CN(C)C(=O)CC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862309457 730687029 /nfs/dbraw/zinc/68/70/29/730687029.db2.gz QMEQSXPIGSDHLS-UHFFFAOYSA-N 0 1 355.276 2.845 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865777739 730996513 /nfs/dbraw/zinc/99/65/13/730996513.db2.gz BLRSTZAHVIZZTR-GFCCVEGCSA-N 0 1 356.260 2.830 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780662127 738566555 /nfs/dbraw/zinc/56/65/55/738566555.db2.gz YHLRCXAIQDMWJN-ATLSCFEFSA-N 0 1 364.873 2.551 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780662131 738566714 /nfs/dbraw/zinc/56/67/14/738566714.db2.gz YHLRCXAIQDMWJN-JOCBIADPSA-N 0 1 364.873 2.551 20 10 FFCDMN CCOC(=O)c1cc(CNCc2ccc(Br)cc2O)on1 ZINC000877711747 732417404 /nfs/dbraw/zinc/41/74/04/732417404.db2.gz XIKBMKCEAOISLP-UHFFFAOYSA-N 0 1 355.188 2.609 20 10 FFCDMN C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000883308455 733366150 /nfs/dbraw/zinc/36/61/50/733366150.db2.gz POWSSCQMQJNBTI-JQWIXIFHSA-N 0 1 362.289 2.773 20 10 FFCDMN CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000883473319 733390093 /nfs/dbraw/zinc/39/00/93/733390093.db2.gz WCVSQQWKIUGXBA-AEFFLSMTSA-N 0 1 362.543 2.522 20 10 FFCDMN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3c([O-])cccc3Br)O2)CO1 ZINC000886329294 733773956 /nfs/dbraw/zinc/77/39/56/733773956.db2.gz CBAOOPRWDYXLLL-HSMVNMDESA-N 0 1 356.260 2.971 20 10 FFCDMN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889666655 734206098 /nfs/dbraw/zinc/20/60/98/734206098.db2.gz OPLHXDISTYLCHT-KRWDZBQOSA-N 0 1 364.559 2.721 20 10 FFCDMN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000731872507 734702376 /nfs/dbraw/zinc/70/23/76/734702376.db2.gz NESVEODMCZEGOK-GFCCVEGCSA-N 0 1 363.458 2.836 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000894089458 734799719 /nfs/dbraw/zinc/79/97/19/734799719.db2.gz SXYSUDBHISZGLB-KBPBESRZSA-N 0 1 360.223 2.674 20 10 FFCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(OC)c2O)s1 ZINC000894134723 734807174 /nfs/dbraw/zinc/80/71/74/734807174.db2.gz MQVNSQIXHZLHSK-UHFFFAOYSA-N 0 1 371.480 2.554 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000894746931 734909215 /nfs/dbraw/zinc/90/92/15/734909215.db2.gz DOIJRTIMIYNOJY-ZIAGYGMSSA-N 0 1 360.223 2.674 20 10 FFCDMN CCn1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)n1 ZINC000894843356 734926189 /nfs/dbraw/zinc/92/61/89/734926189.db2.gz MTJDUQPACYZNKH-UHFFFAOYSA-N 0 1 350.413 2.616 20 10 FFCDMN COc1cc(Br)cc(CN2CC[C@H](c3noc(C)n3)C2)c1O ZINC000896240243 735123803 /nfs/dbraw/zinc/12/38/03/735123803.db2.gz PDWNUPCPHVCCKF-JTQLQIEISA-N 0 1 368.231 2.844 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000896921964 735188304 /nfs/dbraw/zinc/18/83/04/735188304.db2.gz VVIMSYDUQMMJKN-AWEZNQCLSA-N 0 1 356.260 2.973 20 10 FFCDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270260 739226120 /nfs/dbraw/zinc/22/61/20/739226120.db2.gz QTAHOWZKDSDAGT-GMSGAONNSA-N 0 1 365.065 2.872 20 10 FFCDMN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000752101175 735957207 /nfs/dbraw/zinc/95/72/07/735957207.db2.gz HLNJOLNXSAFREZ-KRWDZBQOSA-N 0 1 362.857 2.509 20 10 FFCDMN C[C@@H](NCc1cnn(CCF)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903273528 736070734 /nfs/dbraw/zinc/07/07/34/736070734.db2.gz AISUOQZFGNLWMO-CQSZACIVSA-N 0 1 350.413 2.679 20 10 FFCDMN CCOC(=O)c1ccc(NC(=S)NCc2cc(N(C)C)ccn2)cc1 ZINC000905616987 736369621 /nfs/dbraw/zinc/36/96/21/736369621.db2.gz AFDJIWQYGYSQNV-UHFFFAOYSA-N 0 1 358.467 2.811 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000758772705 736519922 /nfs/dbraw/zinc/51/99/22/736519922.db2.gz BMQKWVJUOUEICV-UHFFFAOYSA-N 0 1 350.352 2.612 20 10 FFCDMN CCC[C@@H](O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761982989 736779029 /nfs/dbraw/zinc/77/90/29/736779029.db2.gz OTMMUYZECJPHDD-JKSUJKDBSA-N 0 1 354.878 2.677 20 10 FFCDMN CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765175982 737091564 /nfs/dbraw/zinc/09/15/64/737091564.db2.gz HBELRXTVZOYKDB-GDBMZVCRSA-N 0 1 354.878 2.533 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000766490659 737234719 /nfs/dbraw/zinc/23/47/19/737234719.db2.gz UUWWKAHPNGVATN-HNNXBMFYSA-N 0 1 354.219 2.987 20 10 FFCDMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911624 737476400 /nfs/dbraw/zinc/47/64/00/737476400.db2.gz GJTAHJOKYKSBSW-XJKSGUPXSA-N 0 1 362.861 2.584 20 10 FFCDMN Oc1c(Br)cccc1CN1CCN(Cc2cscn2)CC1 ZINC000769019783 737486688 /nfs/dbraw/zinc/48/66/88/737486688.db2.gz GCBMEODKJAMRAS-UHFFFAOYSA-N 0 1 368.300 2.929 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000769428849 737529128 /nfs/dbraw/zinc/52/91/28/737529128.db2.gz VEJSENUGNDKWCP-IBGZPJMESA-N 0 1 367.559 2.827 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCSC1 ZINC000771066173 737691423 /nfs/dbraw/zinc/69/14/23/737691423.db2.gz OWKAXOGDWBKHNG-DOMZBBRYSA-N 0 1 354.903 2.879 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@H]1CCCN2CCSC[C@H]12 ZINC000921446343 737985546 /nfs/dbraw/zinc/98/55/46/737985546.db2.gz GKRKHJUACUWXSV-QWHCGFSZSA-N 0 1 372.585 2.504 20 10 FFCDMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921670854 738020663 /nfs/dbraw/zinc/02/06/63/738020663.db2.gz LMWQWINTQBGAIF-AWEZNQCLSA-N 0 1 360.479 2.771 20 10 FFCDMN COc1c([O-])c(C[N@H+](C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774820594 738029695 /nfs/dbraw/zinc/02/96/95/738029695.db2.gz BXWXCHXHJGDOFE-UHFFFAOYSA-N 0 1 350.346 2.959 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774820594 738029697 /nfs/dbraw/zinc/02/96/97/738029697.db2.gz BXWXCHXHJGDOFE-UHFFFAOYSA-N 0 1 350.346 2.959 20 10 FFCDMN CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000775504461 738097798 /nfs/dbraw/zinc/09/77/98/738097798.db2.gz XYDIXQBAOVKJBT-MRXNPFEDSA-N 0 1 374.934 2.595 20 10 FFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(Br)c1[O-] ZINC000787301499 739124554 /nfs/dbraw/zinc/12/45/54/739124554.db2.gz DLFRZVGQEHQZJO-ZDUSSCGKSA-N 0 1 369.303 2.840 20 10 FFCDMN Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cccc2nonc21 ZINC000788754550 739280004 /nfs/dbraw/zinc/28/00/04/739280004.db2.gz FDYXXNSGAQRNJP-UHFFFAOYSA-N 0 1 355.379 2.518 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023964 739375344 /nfs/dbraw/zinc/37/53/44/739375344.db2.gz FUBKPTQBJBWTRK-SCLBCKFNSA-N 0 1 366.845 2.959 20 10 FFCDMN C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(Br)ccc1[O-] ZINC000789765393 739386214 /nfs/dbraw/zinc/38/62/14/739386214.db2.gz OSUGTOULHIKPOF-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc(Br)ccc1[O-] ZINC000789765393 739386217 /nfs/dbraw/zinc/38/62/17/739386217.db2.gz OSUGTOULHIKPOF-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167364 739645519 /nfs/dbraw/zinc/64/55/19/739645519.db2.gz PMNPEHQDBBMAJB-VXGBXAGGSA-N 0 1 358.841 2.548 20 10 FFCDMN O=S1(=O)CC[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796256869 740122467 /nfs/dbraw/zinc/12/24/67/740122467.db2.gz JEHMRGSTEPIMSJ-LJQANCHMSA-N 0 1 356.491 2.526 20 10 FFCDMN COc1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)ccc1O ZINC000797820275 740276404 /nfs/dbraw/zinc/27/64/04/740276404.db2.gz OTGIEDLCFGQUOX-UHFFFAOYSA-N 0 1 373.814 2.872 20 10 FFCDMN O=C(NCCCN1CCCCC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805081549 740936489 /nfs/dbraw/zinc/93/64/89/740936489.db2.gz BLAYMICMVPEFNC-UHFFFAOYSA-N 0 1 374.268 2.901 20 10 FFCDMN CC(C)n1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807512873 741138146 /nfs/dbraw/zinc/13/81/46/741138146.db2.gz NDXIIHZFKVGPGQ-UHFFFAOYSA-N 0 1 371.224 2.731 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708037 741334576 /nfs/dbraw/zinc/33/45/76/741334576.db2.gz WEDWXBHVTMIULQ-JKSUJKDBSA-N 0 1 368.861 2.915 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708037 741334578 /nfs/dbraw/zinc/33/45/78/741334578.db2.gz WEDWXBHVTMIULQ-JKSUJKDBSA-N 0 1 368.861 2.915 20 10 FFCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000811514749 741532803 /nfs/dbraw/zinc/53/28/03/741532803.db2.gz POKDPWNLUYHVNF-JTQLQIEISA-N 0 1 350.768 2.936 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCCCCF)cc2F)CC1 ZINC000812926555 741662732 /nfs/dbraw/zinc/66/27/32/741662732.db2.gz KHSQEANZHPGITI-UHFFFAOYSA-N 0 1 354.445 2.517 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000813682733 741748429 /nfs/dbraw/zinc/74/84/29/741748429.db2.gz IFUQEDIWELUNSI-UHFFFAOYSA-N 0 1 353.165 2.606 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000825222827 743231878 /nfs/dbraw/zinc/23/18/78/743231878.db2.gz PPYJIAOIVBBHBX-UHFFFAOYSA-N 0 1 369.870 2.926 20 10 FFCDMN CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC1 ZINC000825292539 743243436 /nfs/dbraw/zinc/24/34/36/743243436.db2.gz XVXPOZBVTHLGCE-HNNXBMFYSA-N 0 1 355.276 2.891 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562089 743293665 /nfs/dbraw/zinc/29/36/65/743293665.db2.gz JOCPETLASIJMOE-JTQLQIEISA-N 0 1 350.768 2.854 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562089 743293671 /nfs/dbraw/zinc/29/36/71/743293671.db2.gz JOCPETLASIJMOE-JTQLQIEISA-N 0 1 350.768 2.854 20 10 FFCDMN Cc1cc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1Cl ZINC000825780537 743327001 /nfs/dbraw/zinc/32/70/01/743327001.db2.gz XBRALEVUDIKPME-UHFFFAOYSA-N 0 1 372.918 2.744 20 10 FFCDMN CCn1ncc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000838924226 746738146 /nfs/dbraw/zinc/73/81/46/746738146.db2.gz BBJLLMZWLGECEQ-UHFFFAOYSA-N 0 1 351.401 2.658 20 10 FFCDMN CCN(CC(N)=O)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839037335 746760097 /nfs/dbraw/zinc/76/00/97/746760097.db2.gz AWVMRKOSSLSDEQ-UHFFFAOYSA-N 0 1 354.292 2.747 20 10 FFCDMN Cc1nn(C)cc1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761069 747175584 /nfs/dbraw/zinc/17/55/84/747175584.db2.gz PJLODDVPQAGRQI-GFCCVEGCSA-N 0 1 350.413 2.694 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)CCC12CCC2 ZINC000840969246 747246182 /nfs/dbraw/zinc/24/61/82/747246182.db2.gz CUYSRXZVZMHXPD-UHFFFAOYSA-N 0 1 374.300 2.698 20 10 FFCDMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841745745 747447546 /nfs/dbraw/zinc/44/75/46/747447546.db2.gz SNZBLBAUVYDBTM-GUYCJALGSA-N 0 1 356.919 2.904 20 10 FFCDMN CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000841895189 747484239 /nfs/dbraw/zinc/48/42/39/747484239.db2.gz WWAAHENBRRNHNT-UHFFFAOYSA-N 0 1 370.877 2.897 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000843414731 747831396 /nfs/dbraw/zinc/83/13/96/747831396.db2.gz LSBOIABTMOJWOT-ZDUSSCGKSA-N 0 1 363.259 2.940 20 10 FFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843433318 747836943 /nfs/dbraw/zinc/83/69/43/747836943.db2.gz XLAFYBSWGPNKKT-CYBMUJFWSA-N 0 1 354.731 2.685 20 10 FFCDMN CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@@H](C)Cc1ccsc1 ZINC000846258010 748443344 /nfs/dbraw/zinc/44/33/44/748443344.db2.gz FXUOMGBENXOFDO-NSHDSACASA-N 0 1 360.439 2.648 20 10 FFCDMN CO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 ZINC000852437499 749859586 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CCN1CCN(c2ccc(CNC(=O)NCCC(C)(C)F)cc2F)CC1 ZINC000852553741 1006079842 /nfs/dbraw/zinc/07/98/42/1006079842.db2.gz VCBPZYLZIHYBDB-UHFFFAOYSA-N 0 1 368.472 2.905 20 10 FFCDMN CCOc1ccc(N2CCN(Cc3ccc(N(C)CC)cc3)CC2)nn1 ZINC000852745386 1006166293 /nfs/dbraw/zinc/16/62/93/1006166293.db2.gz SWBLMGDXHHRGLO-UHFFFAOYSA-N 0 1 355.486 2.654 20 10 FFCDMN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881850954 1006242171 /nfs/dbraw/zinc/24/21/71/1006242171.db2.gz LVDFHHGVCOFBLK-MRXNPFEDSA-N 0 1 370.522 2.630 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3ccc4cnccc4c3)cc2)CC1 ZINC000881854771 1006243830 /nfs/dbraw/zinc/24/38/30/1006243830.db2.gz KDKGEKXJMVEVPO-UHFFFAOYSA-N 0 1 374.488 2.846 20 10 FFCDMN COC[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000882094391 1006298751 /nfs/dbraw/zinc/29/87/51/1006298751.db2.gz LWQMDHWMGVWTKS-CALCHBBNSA-N 0 1 369.509 2.949 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)O[C@@H](C)c2nnc[nH]2)CCCC1 ZINC000853227147 1006340576 /nfs/dbraw/zinc/34/05/76/1006340576.db2.gz MGNVSSJYRPHKLN-LBPRGKRZSA-N 0 1 354.410 2.951 20 10 FFCDMN C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000853520930 1006424733 /nfs/dbraw/zinc/42/47/33/1006424733.db2.gz XDYRLGNCVAKWPT-HNNXBMFYSA-N 0 1 366.458 2.553 20 10 FFCDMN Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1N(C)C ZINC000815009622 1006489249 /nfs/dbraw/zinc/48/92/49/1006489249.db2.gz HZKWUYHISIHMDM-UHFFFAOYSA-N 0 1 355.442 2.686 20 10 FFCDMN COc1ccc(F)c(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000815117608 1006514662 /nfs/dbraw/zinc/51/46/62/1006514662.db2.gz RUEZIXIDTPDJHR-INIZCTEOSA-N 0 1 371.456 2.826 20 10 FFCDMN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nc4c3CCCCC4)C2)cc1 ZINC000855223182 1007187794 /nfs/dbraw/zinc/18/77/94/1007187794.db2.gz CGCMTRZSVJQETP-CQSZACIVSA-N 0 1 354.454 2.696 20 10 FFCDMN CCN1CCN(c2ccc(CNc3nccc4nccnc43)cc2F)CC1 ZINC000856729354 1007962101 /nfs/dbraw/zinc/96/21/01/1007962101.db2.gz JVUUYRVQDZNUGN-UHFFFAOYSA-N 0 1 366.444 2.918 20 10 FFCDMN CN(C)c1cc(F)c(CNc2ccc(N3CCN(C)CC3)cn2)cc1F ZINC000858103876 1008302670 /nfs/dbraw/zinc/30/26/70/1008302670.db2.gz YUOIDRQJSKGQJZ-UHFFFAOYSA-N 0 1 361.440 2.790 20 10 FFCDMN COc1ccc(N2CC[C@H](NCc3cn(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000858186873 1008319806 /nfs/dbraw/zinc/31/98/06/1008319806.db2.gz NTVRCHKPLGKPJS-INIZCTEOSA-N 0 1 367.428 2.784 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000821272016 1008428333 /nfs/dbraw/zinc/42/83/33/1008428333.db2.gz ULKMJNDUKUBPSU-LJQANCHMSA-N 0 1 352.482 2.596 20 10 FFCDMN Cc1cc(C)c(CNC(=O)C2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC001177214169 1008519452 /nfs/dbraw/zinc/51/94/52/1008519452.db2.gz GBQGQVORUCQWPB-UHFFFAOYSA-N 0 1 353.466 2.932 20 10 FFCDMN NC(=O)C1CCN(c2ccc(CNCc3cc(F)ccc3F)cc2)CC1 ZINC000886325919 1008639319 /nfs/dbraw/zinc/63/93/19/1008639319.db2.gz VRYTWLGKKSRONS-UHFFFAOYSA-N 0 1 359.420 2.956 20 10 FFCDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000822508559 1008662057 /nfs/dbraw/zinc/66/20/57/1008662057.db2.gz ZZJIMHINFKQTMG-TZMCWYRMSA-N 0 1 362.426 2.562 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001180029639 1009536555 /nfs/dbraw/zinc/53/65/55/1009536555.db2.gz DIQNTBYCADGITD-SNVBAGLBSA-N 0 1 356.394 2.511 20 10 FFCDMN CC(C)N1CCN(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001180346430 1009642612 /nfs/dbraw/zinc/64/26/12/1009642612.db2.gz GQGNYMNVUIOWED-UHFFFAOYSA-N 0 1 366.509 2.828 20 10 FFCDMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773160964 1010058800 /nfs/dbraw/zinc/05/88/00/1010058800.db2.gz IYGJNPANNVFTSI-BRWVUGGUSA-N 0 1 362.518 2.612 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000864519281 1010491610 /nfs/dbraw/zinc/49/16/10/1010491610.db2.gz KKESVNRYYQPSFX-HXUWFJFHSA-N 0 1 359.514 2.952 20 10 FFCDMN Cc1cc(C(=O)Nc2nc(SCCO)n[nH]2)c(C)n1-c1ccccc1C ZINC000120749449 1010864255 /nfs/dbraw/zinc/86/42/55/1010864255.db2.gz HEMIVGJFRNCNIS-UHFFFAOYSA-N 0 1 371.466 2.857 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N(C)CCC3CC3)cc2F)CC1 ZINC000121764899 1011086342 /nfs/dbraw/zinc/08/63/42/1011086342.db2.gz YRFBKEVHIJFMRE-UHFFFAOYSA-N 0 1 362.493 2.909 20 10 FFCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cc(F)cc1F ZINC001275230069 1012110912 /nfs/dbraw/zinc/11/09/12/1012110912.db2.gz UTBXWBVZFOMRDS-CWTRNNRKSA-N 0 1 366.408 2.605 20 10 FFCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001275230069 1012110922 /nfs/dbraw/zinc/11/09/22/1012110922.db2.gz UTBXWBVZFOMRDS-CWTRNNRKSA-N 0 1 366.408 2.605 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237537 1012125951 /nfs/dbraw/zinc/12/59/51/1012125951.db2.gz YUZJWABZVMGIOR-QGZVFWFLSA-N 0 1 371.264 2.665 20 10 FFCDMN O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237537 1012125969 /nfs/dbraw/zinc/12/59/69/1012125969.db2.gz YUZJWABZVMGIOR-QGZVFWFLSA-N 0 1 371.264 2.665 20 10 FFCDMN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001275244339 1012134971 /nfs/dbraw/zinc/13/49/71/1012134971.db2.gz GTAMHNMVIAJHRH-HXUWFJFHSA-N 0 1 360.454 2.542 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275248608 1012138708 /nfs/dbraw/zinc/13/87/08/1012138708.db2.gz POXGAEFABXZKGQ-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001275248608 1012138720 /nfs/dbraw/zinc/13/87/20/1012138720.db2.gz POXGAEFABXZKGQ-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001275248608 1012138728 /nfs/dbraw/zinc/13/87/28/1012138728.db2.gz POXGAEFABXZKGQ-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN O=C1C[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)C(=O)N1CC(F)F ZINC001275253610 1012151999 /nfs/dbraw/zinc/15/19/99/1012151999.db2.gz DFMZCFLHOVQUQO-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN O=C1C[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)C(=O)N1CC(F)F ZINC001275253610 1012152006 /nfs/dbraw/zinc/15/20/06/1012152006.db2.gz DFMZCFLHOVQUQO-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275253986 1012152794 /nfs/dbraw/zinc/15/27/94/1012152794.db2.gz KAEXUQGICXEUHY-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001275253986 1012152804 /nfs/dbraw/zinc/15/28/04/1012152804.db2.gz KAEXUQGICXEUHY-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001275253986 1012152809 /nfs/dbraw/zinc/15/28/09/1012152809.db2.gz KAEXUQGICXEUHY-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2c(O)cc(OC)cc2OC)C1=O ZINC001275434899 1012458449 /nfs/dbraw/zinc/45/84/49/1012458449.db2.gz AJBKGLLXHDPMAY-VBKZILBWSA-N 0 1 362.470 2.775 20 10 FFCDMN CN(C)c1cccc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)c1 ZINC001217554089 1032779654 /nfs/dbraw/zinc/77/96/54/1032779654.db2.gz NXMPNWGNXASWCC-UHFFFAOYSA-N 0 1 365.345 2.987 20 10 FFCDMN C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000801050189 1020730402 /nfs/dbraw/zinc/73/04/02/1020730402.db2.gz CJPITQOITRXTJN-ZWKOTPCHSA-N 0 1 374.529 2.567 20 10 FFCDMN C[C@H]1C[NH2+]CCC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001217987159 1032935743 /nfs/dbraw/zinc/93/57/43/1032935743.db2.gz MEWRLJBQKHGNIW-YVEFUNNKSA-N 0 1 351.402 2.935 20 10 FFCDMN CN(Cc1ccccc1O)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000042117709 1022138571 /nfs/dbraw/zinc/13/85/71/1022138571.db2.gz NORMYPCMYMMLFV-UHFFFAOYSA-N 0 1 369.446 2.813 20 10 FFCDMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000155928437 1022306100 /nfs/dbraw/zinc/30/61/00/1022306100.db2.gz DDQXQNIVILZDDC-HNNXBMFYSA-N 0 1 371.456 2.873 20 10 FFCDMN CC(C)[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000829296831 1033086269 /nfs/dbraw/zinc/08/62/69/1033086269.db2.gz OZYAQQFUUBZKAV-AZUAARDMSA-N 0 1 359.514 2.506 20 10 FFCDMN Nc1ccncc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188247936 1023045772 /nfs/dbraw/zinc/04/57/72/1023045772.db2.gz LQGFXJAMFLDTOW-LBPRGKRZSA-N 0 1 362.380 2.664 20 10 FFCDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(O)c3O)CCN2C2CC2)c1 ZINC000193154687 1024404785 /nfs/dbraw/zinc/40/47/85/1024404785.db2.gz JAIVTMGNJASHNL-PKOBYXMFSA-N 0 1 368.433 2.814 20 10 FFCDMN COc1ccc(N2CCN(Cc3ccc4c(c3)OCCN4C)CC2)cc1 ZINC001141139573 1025505865 /nfs/dbraw/zinc/50/58/65/1025505865.db2.gz XMGKRCVMBAAOID-UHFFFAOYSA-N 0 1 353.466 2.846 20 10 FFCDMN COc1cccnc1O[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145838 1025523393 /nfs/dbraw/zinc/52/33/93/1025523393.db2.gz IUHVFLPCZGGDDH-INIZCTEOSA-N 0 1 355.438 2.572 20 10 FFCDMN CC[C@@H](C)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000837882051 1026083840 /nfs/dbraw/zinc/08/38/40/1026083840.db2.gz IKYIAOSSCAMNRX-QZTJIDSGSA-N 0 1 374.529 2.710 20 10 FFCDMN Fc1cc(CNCc2ccc3c(n2)CCC3)cc(F)c1N1CCOCC1 ZINC000839145251 1026604114 /nfs/dbraw/zinc/60/41/14/1026604114.db2.gz OVJLBBNUZKEJND-UHFFFAOYSA-N 0 1 359.420 2.975 20 10 FFCDMN COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839495543 1026701722 /nfs/dbraw/zinc/70/17/22/1026701722.db2.gz IRAIYODTCHEYHJ-QGZVFWFLSA-N 0 1 369.509 2.940 20 10 FFCDMN COc1ccccc1C[C@@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839495543 1026701729 /nfs/dbraw/zinc/70/17/29/1026701729.db2.gz IRAIYODTCHEYHJ-QGZVFWFLSA-N 0 1 369.509 2.940 20 10 FFCDMN Cn1ncc2c1CCC[C@@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761647 1027242021 /nfs/dbraw/zinc/24/20/21/1027242021.db2.gz ZJZSIJKSQVKQPO-KRWDZBQOSA-N 0 1 362.424 2.702 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ncnc4ccoc43)CC2)cc1 ZINC001164328689 1029247594 /nfs/dbraw/zinc/24/75/94/1029247594.db2.gz ZUZQWZCTQFMSFH-UHFFFAOYSA-N 0 1 367.453 2.856 20 10 FFCDMN CCOC(=O)Cc1cccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156656679 1029291859 /nfs/dbraw/zinc/29/18/59/1029291859.db2.gz YCGYVDVCCWTCRD-UHFFFAOYSA-N 0 1 368.481 2.551 20 10 FFCDMN C[C@@H]1CCc2nnc(NCc3ccc(N4CCN(C)CC4)cc3)cc2C1 ZINC001156659282 1029293972 /nfs/dbraw/zinc/29/39/72/1029293972.db2.gz JLOGLSCJKLMADS-MRXNPFEDSA-N 0 1 351.498 2.965 20 10 FFCDMN COCCOc1ccc(N2CCN(Cc3ccc(CO)cc3)CC2)cc1 ZINC001203192342 1029633092 /nfs/dbraw/zinc/63/30/92/1029633092.db2.gz FRLBSTJMDSRIMQ-UHFFFAOYSA-N 0 1 356.466 2.526 20 10 FFCDMN COCC[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000782977407 1029870364 /nfs/dbraw/zinc/87/03/64/1029870364.db2.gz SMYXJYOGVHPISL-INIZCTEOSA-N 0 1 371.433 2.566 20 10 FFCDMN Nc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000841301651 1030172287 /nfs/dbraw/zinc/17/22/87/1030172287.db2.gz BZPVVBPFEDLXLS-UHFFFAOYSA-N 0 1 353.470 2.603 20 10 FFCDMN O=C(NCc1ccc2cccnc2c1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001142728597 1030770965 /nfs/dbraw/zinc/77/09/65/1030770965.db2.gz XRRSIRXYVIXNTR-UHFFFAOYSA-N 0 1 363.333 2.655 20 10 FFCDMN COc1cccc(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)c1O ZINC001203600235 1030780851 /nfs/dbraw/zinc/78/08/51/1030780851.db2.gz YKKJSPNNGAYWCH-HXUWFJFHSA-N 0 1 356.466 2.906 20 10 FFCDMN O=C(NC1CCC1)[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]2OCC[C@H]21 ZINC001203655768 1030805065 /nfs/dbraw/zinc/80/50/65/1030805065.db2.gz CMACHMIPJGCTSE-XYJFISCASA-N 0 1 364.873 2.551 20 10 FFCDMN O=C(NC1CCC1)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]2OCC[C@H]21 ZINC001203655768 1030805081 /nfs/dbraw/zinc/80/50/81/1030805081.db2.gz CMACHMIPJGCTSE-XYJFISCASA-N 0 1 364.873 2.551 20 10 FFCDMN CCOC(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203650608 1030805583 /nfs/dbraw/zinc/80/55/83/1030805583.db2.gz XPDKSBHLDMIYMR-UHFFFAOYSA-N 0 1 357.248 2.865 20 10 FFCDMN Oc1ccc(CN2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1O ZINC001203877864 1030952633 /nfs/dbraw/zinc/95/26/33/1030952633.db2.gz XVGLWKDXCODVKO-OXJNMPFZSA-N 0 1 356.422 2.695 20 10 FFCDMN Oc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203878409 1030953095 /nfs/dbraw/zinc/95/30/95/1030953095.db2.gz TXZHUEVDOXIQNT-FPOVZHCZSA-N 0 1 370.449 2.943 20 10 FFCDMN Oc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203878409 1030953102 /nfs/dbraw/zinc/95/31/02/1030953102.db2.gz TXZHUEVDOXIQNT-FPOVZHCZSA-N 0 1 370.449 2.943 20 10 FFCDMN CCOC(=O)c1cnn2cc(CN(C)Cc3ccc(N(C)C)cc3)cnc12 ZINC001204146529 1031129416 /nfs/dbraw/zinc/12/94/16/1031129416.db2.gz WBLFUVOBMVMAGK-UHFFFAOYSA-N 0 1 367.453 2.604 20 10 FFCDMN Oc1ccc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204273701 1031199125 /nfs/dbraw/zinc/19/91/25/1031199125.db2.gz FVXNUHPPSRNCRW-YFVAEKQCSA-N 0 1 370.449 2.689 20 10 FFCDMN Oc1ccc(CN2CCN(Cc3ccncc3)c3ncccc3C2)c(O)c1 ZINC001204275136 1031201092 /nfs/dbraw/zinc/20/10/92/1031201092.db2.gz XJDOEKULADPRRT-UHFFFAOYSA-N 0 1 362.433 2.910 20 10 FFCDMN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(O)c1 ZINC000843427900 1031399078 /nfs/dbraw/zinc/39/90/78/1031399078.db2.gz CZFGUXBMXLFSND-GOSISDBHSA-N 0 1 354.450 2.929 20 10 FFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001139684749 1031975199 /nfs/dbraw/zinc/97/51/99/1031975199.db2.gz POBYQMMLJKJIIP-YJYMSZOUSA-N 0 1 362.376 2.593 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NC[C@H]3CCCCS3)cc2)CC1 ZINC001224850103 1034033669 /nfs/dbraw/zinc/03/36/69/1034033669.db2.gz GUBDXMJYKGTKFP-GOSISDBHSA-N 0 1 362.543 2.523 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCC2(C1)OCCO2 ZINC001225106560 1034130267 /nfs/dbraw/zinc/13/02/67/1034130267.db2.gz DEPADABDGRMPFU-LLVKDONJSA-N 0 1 361.225 2.794 20 10 FFCDMN COC1CCN(c2ccc(CN3CCC[C@H](NC(=O)N(C)C)C3)cc2)CC1 ZINC000832550056 1034856200 /nfs/dbraw/zinc/85/62/00/1034856200.db2.gz INMQBVQVGLPVDU-SFHVURJKSA-N 0 1 374.529 2.537 20 10 FFCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1C[C@H](CO)CC[C@@H]1C(F)(F)F ZINC001139127390 1034956624 /nfs/dbraw/zinc/95/66/24/1034956624.db2.gz VHMKCJBJOXHCNT-IAQYHMDHSA-N 0 1 371.355 2.942 20 10 FFCDMN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139129644 1034958136 /nfs/dbraw/zinc/95/81/36/1034958136.db2.gz BQDTVEZOSRHIGK-FQEVSTJZSA-N 0 1 359.422 2.972 20 10 FFCDMN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139130260 1034960670 /nfs/dbraw/zinc/96/06/70/1034960670.db2.gz WDZANSLVXDVELH-CQSZACIVSA-N 0 1 367.405 2.559 20 10 FFCDMN CO[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139674010 1035194045 /nfs/dbraw/zinc/19/40/45/1035194045.db2.gz KIPKAJKQGJKCGR-FUHWJXTLSA-N 0 1 363.502 2.785 20 10 FFCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCN2CC=CCC2)c1 ZINC001139727182 1035210220 /nfs/dbraw/zinc/21/02/20/1035210220.db2.gz KAIPAWZWMPIODK-UHFFFAOYSA-N 0 1 351.450 2.898 20 10 FFCDMN O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140055865 1035325015 /nfs/dbraw/zinc/32/50/15/1035325015.db2.gz YNXPTGPNKIJHOX-OCCSQVGLSA-N 0 1 361.442 2.582 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001140101913 1035341936 /nfs/dbraw/zinc/34/19/36/1035341936.db2.gz DHUWFIHHNCRISA-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN Oc1cccc(Br)c1CN1CCC(Oc2ccncn2)CC1 ZINC001140101913 1035341942 /nfs/dbraw/zinc/34/19/42/1035341942.db2.gz DHUWFIHHNCRISA-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN Cc1ccc(C)c(CN2C[C@H]3C[C@@H](C(=O)NCc4ccco4)[C@@H](C2)O3)c1O ZINC001140179017 1035370301 /nfs/dbraw/zinc/37/03/01/1035370301.db2.gz DWXXPDJNKMXIGJ-ZHALLVOQSA-N 0 1 370.449 2.508 20 10 FFCDMN CCOC(=O)CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC001140287223 1035419583 /nfs/dbraw/zinc/41/95/83/1035419583.db2.gz JWDFQFGCALQWDZ-UHFFFAOYSA-N 0 1 360.498 2.955 20 10 FFCDMN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(Cl)cc2[O-])N1Cc1cccnc1 ZINC001140467464 1035486407 /nfs/dbraw/zinc/48/64/07/1035486407.db2.gz QTWLLIIJOFAXKT-DLBZAZTESA-N 0 1 357.841 2.816 20 10 FFCDMN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(Cl)cc2[O-])N1Cc1cccnc1 ZINC001140467464 1035486408 /nfs/dbraw/zinc/48/64/08/1035486408.db2.gz QTWLLIIJOFAXKT-DLBZAZTESA-N 0 1 357.841 2.816 20 10 FFCDMN COc1c(O)c(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070753 1035507985 /nfs/dbraw/zinc/50/79/85/1035507985.db2.gz QTWYCRMRKCNZAR-GOSISDBHSA-N 0 1 366.414 2.863 20 10 FFCDMN COc1c([O-])c(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070753 1035507992 /nfs/dbraw/zinc/50/79/92/1035507992.db2.gz QTWYCRMRKCNZAR-GOSISDBHSA-N 0 1 366.414 2.863 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070753 1035507998 /nfs/dbraw/zinc/50/79/98/1035507998.db2.gz QTWYCRMRKCNZAR-GOSISDBHSA-N 0 1 366.414 2.863 20 10 FFCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](CC)CC(=O)OC)c1O ZINC001227492822 1035579767 /nfs/dbraw/zinc/57/97/67/1035579767.db2.gz BWFXGFUBOGGJPQ-VIFPVBQESA-N 0 1 374.411 2.528 20 10 FFCDMN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c(C)cc1O ZINC001277214996 1035587396 /nfs/dbraw/zinc/58/73/96/1035587396.db2.gz VAEUGBCGFXNWNK-CSMYWGQOSA-N 0 1 364.873 2.897 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2[O-])C1=O ZINC001277231473 1035671464 /nfs/dbraw/zinc/67/14/64/1035671464.db2.gz CCYUEEZAXGIWGH-KZULUSFZSA-N 0 1 350.846 2.590 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2[O-])C1=O ZINC001277231473 1035671469 /nfs/dbraw/zinc/67/14/69/1035671469.db2.gz CCYUEEZAXGIWGH-KZULUSFZSA-N 0 1 350.846 2.590 20 10 FFCDMN Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232166 1035677395 /nfs/dbraw/zinc/67/73/95/1035677395.db2.gz LVYSSYVPDXWEAY-IAGOWNOFSA-N 0 1 374.872 2.545 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232446 1035679380 /nfs/dbraw/zinc/67/93/80/1035679380.db2.gz QIDGVERCKFFOAN-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN O=C1N(CC(F)F)CCC12CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001277664398 1035683646 /nfs/dbraw/zinc/68/36/46/1035683646.db2.gz AWOPPEWUPOHEES-UHFFFAOYSA-N 0 1 374.815 2.831 20 10 FFCDMN Cc1ccc(O)c(CN2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001140619809 1035743052 /nfs/dbraw/zinc/74/30/52/1035743052.db2.gz PFRUJWFUMFQJNE-WMZOPIPTSA-N 0 1 362.470 2.911 20 10 FFCDMN Cc1c(O)ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1O ZINC001140744146 1036034149 /nfs/dbraw/zinc/03/41/49/1036034149.db2.gz NFCAOUVPACZJOH-FBBABVLZSA-N 0 1 370.449 2.750 20 10 FFCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCCCC1=O ZINC001228520676 1036157765 /nfs/dbraw/zinc/15/77/65/1036157765.db2.gz CWYQDVVUBQAADV-INIZCTEOSA-N 0 1 358.346 2.631 20 10 FFCDMN Oc1cc(I)ccc1CN1CCC2(CCO2)CC1 ZINC001232980975 1036215675 /nfs/dbraw/zinc/21/56/75/1036215675.db2.gz ZUYLYXRVMDCPBF-UHFFFAOYSA-N 0 1 359.207 2.752 20 10 FFCDMN [O-]c1cc(I)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001232980975 1036215691 /nfs/dbraw/zinc/21/56/91/1036215691.db2.gz ZUYLYXRVMDCPBF-UHFFFAOYSA-N 0 1 359.207 2.752 20 10 FFCDMN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029349 1036267278 /nfs/dbraw/zinc/26/72/78/1036267278.db2.gz CCWIWKBCIQDJGZ-GFCCVEGCSA-N 0 1 359.239 2.737 20 10 FFCDMN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c(O)cc(Br)cc1F ZINC001233027921 1036267460 /nfs/dbraw/zinc/26/74/60/1036267460.db2.gz GLELJXKEQRFCHI-BJOHPYRUSA-N 0 1 358.207 2.821 20 10 FFCDMN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031794 1036269863 /nfs/dbraw/zinc/26/98/63/1036269863.db2.gz MKSRRAGYTURCJO-SNVBAGLBSA-N 0 1 359.239 2.594 20 10 FFCDMN O=C1OCCN1C1CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233032023 1036271428 /nfs/dbraw/zinc/27/14/28/1036271428.db2.gz SIQAEAVXPTWQBN-UHFFFAOYSA-N 0 1 373.222 2.710 20 10 FFCDMN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031330 1036272070 /nfs/dbraw/zinc/27/20/70/1036272070.db2.gz BWKYVDATBRKUIT-NXEZZACHSA-N 0 1 360.223 2.925 20 10 FFCDMN O=C1C[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)CN1c1ccccn1 ZINC001233077777 1036327370 /nfs/dbraw/zinc/32/73/70/1036327370.db2.gz UPUYUJXPKPPUFE-LJQANCHMSA-N 0 1 359.376 2.694 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001233111260 1036355781 /nfs/dbraw/zinc/35/57/81/1036355781.db2.gz MUDPCDYMNIXBEH-CQSZACIVSA-N 0 1 364.243 2.906 20 10 FFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233140571 1036389237 /nfs/dbraw/zinc/38/92/37/1036389237.db2.gz MWBGTVQVBHWFLM-INIZCTEOSA-N 0 1 372.259 2.938 20 10 FFCDMN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233140571 1036389256 /nfs/dbraw/zinc/38/92/56/1036389256.db2.gz MWBGTVQVBHWFLM-INIZCTEOSA-N 0 1 372.259 2.938 20 10 FFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233140571 1036389268 /nfs/dbraw/zinc/38/92/68/1036389268.db2.gz MWBGTVQVBHWFLM-INIZCTEOSA-N 0 1 372.259 2.938 20 10 FFCDMN COC(=O)C[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2O)C1 ZINC001233141521 1036390587 /nfs/dbraw/zinc/39/05/87/1036390587.db2.gz LAINPNNFAITIMN-NSHDSACASA-N 0 1 372.259 2.938 20 10 FFCDMN COCCOc1ccc(N2CCN(Cc3ccc(OC)c(N)c3)CC2)cc1 ZINC001140901799 1036417028 /nfs/dbraw/zinc/41/70/28/1036417028.db2.gz PETDKHYNZGKZGH-UHFFFAOYSA-N 0 1 371.481 2.625 20 10 FFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001233333676 1036540354 /nfs/dbraw/zinc/54/03/54/1036540354.db2.gz DPJZZXGVUYUCLD-KUHUBIRLSA-N 0 1 362.376 2.878 20 10 FFCDMN C=CC(=O)OC[C@H](C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192589 1036543801 /nfs/dbraw/zinc/54/38/01/1036543801.db2.gz PDYXNAXFIVPEIV-NSHDSACASA-N 0 1 352.342 2.664 20 10 FFCDMN 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CN1CCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2)CC1 ZINC001533683869 1063373980 /nfs/dbraw/zinc/37/39/80/1063373980.db2.gz LSGXKSOACFMPDS-IBGZPJMESA-N 0 1 367.518 2.944 20 10 FFCDMN CCN1CC[C@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965964 1074799712 /nfs/dbraw/zinc/79/97/12/1074799712.db2.gz HJNHTRAQSICHIU-AWEZNQCLSA-N 0 1 350.426 2.612 20 10 FFCDMN Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(N)c1Cl ZINC001589178996 1080399368 /nfs/dbraw/zinc/39/93/68/1080399368.db2.gz IRPXOAJCPMALMK-UHFFFAOYSA-N 0 1 372.900 2.912 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1F ZINC000377350021 512227822 /nfs/dbraw/zinc/22/78/22/512227822.db2.gz HSURJIRFZXGHAC-AWEZNQCLSA-N 0 1 359.449 2.752 20 10 FFCDMN C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571721 507047898 /nfs/dbraw/zinc/04/78/98/507047898.db2.gz JIEFTGWYFVCWQY-SFHVURJKSA-N 0 1 367.493 2.660 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000073785406 507955779 /nfs/dbraw/zinc/95/57/79/507955779.db2.gz VYDHGJJHTHROJZ-INIZCTEOSA-N 0 1 361.417 2.642 20 10 FFCDMN Cc1ccc(O)c(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000122564952 508555373 /nfs/dbraw/zinc/55/53/73/508555373.db2.gz RSBGCCANTADISA-UHFFFAOYSA-N 0 1 363.465 2.544 20 10 FFCDMN CCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000125387622 508975732 /nfs/dbraw/zinc/97/57/32/508975732.db2.gz DNRXPRNBPHKJMH-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186054465 509500919 /nfs/dbraw/zinc/50/09/19/509500919.db2.gz SLZFGFTWZJLSAE-SCLBCKFNSA-N 0 1 350.422 2.735 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1O ZINC000173408200 509579574 /nfs/dbraw/zinc/57/95/74/509579574.db2.gz DTDXTUFLFVHGGI-INIZCTEOSA-N 0 1 361.417 2.642 20 10 FFCDMN CC[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000186293945 509627950 /nfs/dbraw/zinc/62/79/50/509627950.db2.gz RPAQFUZCZATZOW-AWEZNQCLSA-N 0 1 358.276 2.985 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1[O-] ZINC000186375698 509677329 /nfs/dbraw/zinc/67/73/29/509677329.db2.gz JQEWJWDGSFEZPL-AAEUAGOBSA-N 0 1 372.259 2.727 20 10 FFCDMN COc1cc(O)c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000180065247 509733675 /nfs/dbraw/zinc/73/36/75/509733675.db2.gz WGSPGPFDWJPXQH-MRXNPFEDSA-N 0 1 356.422 2.647 20 10 FFCDMN Cc1n[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C ZINC000265188282 509909348 /nfs/dbraw/zinc/90/93/48/509909348.db2.gz HACMDMILDDOQHW-VXGBXAGGSA-N 0 1 360.433 2.709 20 10 FFCDMN Cn1cc([C@@H](NCc2cc3c(cc2O)OCO3)c2ccc(F)cc2)cn1 ZINC000187513113 510308462 /nfs/dbraw/zinc/30/84/62/510308462.db2.gz SSMNNGFAISFQNL-IBGZPJMESA-N 0 1 355.369 2.873 20 10 FFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297289342 510889861 /nfs/dbraw/zinc/88/98/61/510889861.db2.gz AAWSZVLKIKVKBZ-UHFFFAOYSA-N 0 1 356.474 2.868 20 10 FFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275488780 510901931 /nfs/dbraw/zinc/90/19/31/510901931.db2.gz KZLILOZCBTYLBG-UHFFFAOYSA-N 0 1 352.442 2.539 20 10 FFCDMN Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2O)n[nH]1 ZINC000277330152 510960821 /nfs/dbraw/zinc/96/08/21/510960821.db2.gz FAKBUXWBBLEOEF-SECBINFHSA-N 0 1 367.247 2.617 20 10 FFCDMN COc1c([O-])c(C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225540 510985326 /nfs/dbraw/zinc/98/53/26/510985326.db2.gz MDCKQLLAIWXZHZ-INIZCTEOSA-N 0 1 358.394 2.791 20 10 FFCDMN COc1c([O-])c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225540 510985330 /nfs/dbraw/zinc/98/53/30/510985330.db2.gz MDCKQLLAIWXZHZ-INIZCTEOSA-N 0 1 358.394 2.791 20 10 FFCDMN CCN1CCN(c2ccc(CN[C@H]3C[C@H](C)n4ccnc43)cc2F)CC1 ZINC000297603899 511005670 /nfs/dbraw/zinc/00/56/70/511005670.db2.gz IEKXYFUPTREJBO-YJBOKZPZSA-N 0 1 357.477 2.960 20 10 FFCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000289575456 511105292 /nfs/dbraw/zinc/10/52/92/511105292.db2.gz JRCPNXTZHGQDGF-CQSZACIVSA-N 0 1 367.751 2.982 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3conc3C3CC3)cc2F)CC1 ZINC000290216045 511130546 /nfs/dbraw/zinc/13/05/46/511130546.db2.gz JGWOPFGAHCDRRO-UHFFFAOYSA-N 0 1 372.444 2.763 20 10 FFCDMN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272651943 511502667 /nfs/dbraw/zinc/50/26/67/511502667.db2.gz NCWDXWVLYCLXSK-LNENJAERSA-N 0 1 352.434 2.844 20 10 FFCDMN CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274760510 511933299 /nfs/dbraw/zinc/93/32/99/511933299.db2.gz JZLGBJWKBALNIA-ZIAGYGMSSA-N 0 1 354.248 2.663 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(C)o1 ZINC000274857983 511967366 /nfs/dbraw/zinc/96/73/66/511967366.db2.gz ZBNJWBCVARKIPG-UHFFFAOYSA-N 0 1 353.396 2.806 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1F ZINC000293664563 512044053 /nfs/dbraw/zinc/04/40/53/512044053.db2.gz OFEKRJMFKJKIDJ-KRWDZBQOSA-N 0 1 361.465 2.593 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000374428750 512829367 /nfs/dbraw/zinc/82/93/67/512829367.db2.gz MSKLHMWGHNHZTF-RYQLBKOJSA-N 0 1 366.889 2.932 20 10 FFCDMN O=C(Cc1ccncc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378603038 512845322 /nfs/dbraw/zinc/84/53/22/512845322.db2.gz YJLIESNTQODERL-KRWDZBQOSA-N 0 1 359.857 2.764 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(=O)[nH]1 ZINC000370293584 512862838 /nfs/dbraw/zinc/86/28/38/512862838.db2.gz HDRHBZMECZIMSM-CQSZACIVSA-N 0 1 361.829 2.541 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H]2C)C1 ZINC000435610624 513635468 /nfs/dbraw/zinc/63/54/68/513635468.db2.gz LFYWPVFUFQUVPO-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccn(C)n2)C1 ZINC000436018766 513737834 /nfs/dbraw/zinc/73/78/34/513737834.db2.gz KUCCPQKSTBGMQY-UHFFFAOYSA-N 0 1 365.481 2.804 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000527152162 517528653 /nfs/dbraw/zinc/52/86/53/517528653.db2.gz PBJCALFOYXVMBC-KRWDZBQOSA-N 0 1 372.513 2.643 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnns2)C1 ZINC000565635333 519053630 /nfs/dbraw/zinc/05/36/30/519053630.db2.gz HJCSFURNCIHQAU-UHFFFAOYSA-N 0 1 355.467 2.898 20 10 FFCDMN CO[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000629688235 522397036 /nfs/dbraw/zinc/39/70/36/522397036.db2.gz GKBOKHXCZNBJAT-WKILWMFISA-N 0 1 355.482 2.701 20 10 FFCDMN CC[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCN1CCOC ZINC000736945929 600313140 /nfs/dbraw/zinc/31/31/40/600313140.db2.gz ZRJXVRMLXBDNIZ-MRXNPFEDSA-N 0 1 372.465 2.786 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833897371 605912955 /nfs/dbraw/zinc/91/29/55/605912955.db2.gz JBUSVNVOCBQEQV-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833897371 605912956 /nfs/dbraw/zinc/91/29/56/605912956.db2.gz JBUSVNVOCBQEQV-QWRGUYRKSA-N 0 1 357.248 2.941 20 10 FFCDMN CN(C)c1ccc(CNCc2cnc3n2CCOC3)c(C(F)(F)F)c1 ZINC000898267010 735335192 /nfs/dbraw/zinc/33/51/92/735335192.db2.gz AFQXXWSSWNXZQV-UHFFFAOYSA-N 0 1 354.376 2.788 20 10 FFCDMN CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000898399686 735355839 /nfs/dbraw/zinc/35/58/39/735355839.db2.gz SUWDTYSAJQSGRC-QHCPKHFHSA-N 0 1 359.923 2.832 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3cccc4c3OCC4)SC2=S)CC1 ZINC000899261117 735467629 /nfs/dbraw/zinc/46/76/29/735467629.db2.gz ZYJGGUDNSQLEDI-PTNGSMBKSA-N 0 1 360.504 2.917 20 10 FFCDMN COC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092643694 728469749 /nfs/dbraw/zinc/46/97/49/728469749.db2.gz YGALAHBTKWHQNC-JTQLQIEISA-N 0 1 358.232 2.548 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@]12CCCO2 ZINC000759170320 736552758 /nfs/dbraw/zinc/55/27/58/736552758.db2.gz AUHLBVBFLLAZBH-OAGGEKHMSA-N 0 1 356.260 2.971 20 10 FFCDMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1C ZINC000325872326 729759728 /nfs/dbraw/zinc/75/97/28/729759728.db2.gz JTNMTLSDUWBNPN-UHFFFAOYSA-N 0 1 372.830 2.968 20 10 FFCDMN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)n1 ZINC000924906154 738460875 /nfs/dbraw/zinc/46/08/75/738460875.db2.gz JVBUSXYMGQSIQO-LBPRGKRZSA-N 0 1 351.401 2.736 20 10 FFCDMN CCN(C)Cc1cc(O[C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)ccn1 ZINC000856625235 730347533 /nfs/dbraw/zinc/34/75/33/730347533.db2.gz DMQYWTHKXIOYJJ-INIZCTEOSA-N 0 1 361.467 2.594 20 10 FFCDMN O=C(C1CC1)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858094475 730416347 /nfs/dbraw/zinc/41/63/47/730416347.db2.gz MGUAGQAOFUYHLL-UHFFFAOYSA-N 0 1 353.260 2.645 20 10 FFCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)[C@]1(O)CCCOC1 ZINC000858195487 730419428 /nfs/dbraw/zinc/41/94/28/730419428.db2.gz YHRSBXDMKNNLFN-INIZCTEOSA-N 0 1 358.276 2.812 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862332119 730689010 /nfs/dbraw/zinc/68/90/10/730689010.db2.gz RTNKJOCIIBHFSG-NWDGAFQWSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862332119 730689013 /nfs/dbraw/zinc/68/90/13/730689013.db2.gz RTNKJOCIIBHFSG-NWDGAFQWSA-N 0 1 372.259 2.697 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000862406980 730698311 /nfs/dbraw/zinc/69/83/11/730698311.db2.gz SXKSYGMGYBQVEC-CQSZACIVSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000862406980 730698312 /nfs/dbraw/zinc/69/83/12/730698312.db2.gz SXKSYGMGYBQVEC-CQSZACIVSA-N 0 1 369.303 2.841 20 10 FFCDMN CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000866571310 731075489 /nfs/dbraw/zinc/07/54/89/731075489.db2.gz CIBISJQLPQYYLJ-LBPRGKRZSA-N 0 1 368.421 2.766 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000781907876 738670732 /nfs/dbraw/zinc/67/07/32/738670732.db2.gz GHUPBFSZKSUDKG-CQSZACIVSA-N 0 1 369.303 2.617 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000781911917 738671405 /nfs/dbraw/zinc/67/14/05/738671405.db2.gz UZKDVNYSORNFHQ-DOMZBBRYSA-N 0 1 367.287 2.954 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCSCC4)cc2)CC1 ZINC000881853153 733120809 /nfs/dbraw/zinc/12/08/09/733120809.db2.gz LCUZBFCEPJYSKL-SFHVURJKSA-N 0 1 359.539 2.588 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155287 738697708 /nfs/dbraw/zinc/69/77/08/738697708.db2.gz JMZGQXALYNIGLI-NZVBXONLSA-N 0 1 356.260 2.735 20 10 FFCDMN NC(=O)C1CCN(c2ccc(CNCc3ccncc3Cl)cc2)CC1 ZINC000886324933 733773855 /nfs/dbraw/zinc/77/38/55/733773855.db2.gz MKZDCOZMXSDPJG-UHFFFAOYSA-N 0 1 358.873 2.727 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ccc(Cl)nn3)CC2)cc1 ZINC000727856830 734503847 /nfs/dbraw/zinc/50/38/47/734503847.db2.gz KKFGJFUCGSCSPU-UHFFFAOYSA-N 0 1 361.877 2.763 20 10 FFCDMN CCCN(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730134331 734617929 /nfs/dbraw/zinc/61/79/29/734617929.db2.gz YFLNEEBLDXDYCD-UHFFFAOYSA-N 0 1 350.482 2.909 20 10 FFCDMN Cc1nc2n(n1)CCN(Cc1cc(Cl)cc(Br)c1O)C2 ZINC000894029789 734788972 /nfs/dbraw/zinc/78/89/72/734788972.db2.gz DAACQSRSADXFQY-UHFFFAOYSA-N 0 1 357.639 2.724 20 10 FFCDMN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(Br)cc(F)c1O ZINC000894040874 734791320 /nfs/dbraw/zinc/79/13/20/734791320.db2.gz XHUNSNYGSIRGCU-BLBZPCKPSA-N 0 1 350.253 2.635 20 10 FFCDMN Cc1nc([C@H]2COCCN2Cc2cc(Br)cc(F)c2O)no1 ZINC000894426858 734856235 /nfs/dbraw/zinc/85/62/35/734856235.db2.gz FWDLRKWXRDWKJF-GFCCVEGCSA-N 0 1 372.194 2.559 20 10 FFCDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)S1=O ZINC000894552824 734878732 /nfs/dbraw/zinc/87/87/32/734878732.db2.gz WZFKKRUGEJSSQN-IUCAKERBSA-N 0 1 350.253 2.635 20 10 FFCDMN Cn1nc2c(c1C[NH2+]Cc1cc(Br)ccc1[O-])CSCC2 ZINC000894754783 734911102 /nfs/dbraw/zinc/91/11/02/734911102.db2.gz HGIBVTAOQGHTQO-UHFFFAOYSA-N 0 1 368.300 2.967 20 10 FFCDMN Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)[nH]1 ZINC000895013264 734952744 /nfs/dbraw/zinc/95/27/44/734952744.db2.gz ZTUQBPPZMFVPFA-SECBINFHSA-N 0 1 355.211 2.710 20 10 FFCDMN Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000895013264 734952745 /nfs/dbraw/zinc/95/27/45/734952745.db2.gz ZTUQBPPZMFVPFA-SECBINFHSA-N 0 1 355.211 2.710 20 10 FFCDMN Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000895013264 734952746 /nfs/dbraw/zinc/95/27/46/734952746.db2.gz ZTUQBPPZMFVPFA-SECBINFHSA-N 0 1 355.211 2.710 20 10 FFCDMN COC(=O)c1nc(CNCc2cc(C)cc(OC)c2O)ccc1Cl ZINC000895254030 734981762 /nfs/dbraw/zinc/98/17/62/734981762.db2.gz OCHDWKRCIUKZKC-UHFFFAOYSA-N 0 1 350.802 2.834 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(F)cc1F ZINC000740705154 735081459 /nfs/dbraw/zinc/08/14/59/735081459.db2.gz IFHXTXYWKBVUFK-UHFFFAOYSA-N 0 1 357.334 2.566 20 10 FFCDMN Cc1cc(C(=O)NCc2c[nH]nn2)c(C)n1-c1ccccc1Br ZINC000754863096 736210488 /nfs/dbraw/zinc/21/04/88/736210488.db2.gz IYQPXKFQQSQXPM-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(Br)cc1[O-] ZINC000756756950 736359169 /nfs/dbraw/zinc/35/91/69/736359169.db2.gz ASEAHPDSOCCPEU-SNVBAGLBSA-N 0 1 362.289 2.630 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@]12CCOC2 ZINC000764257468 737005957 /nfs/dbraw/zinc/00/59/57/737005957.db2.gz HLANPHFHQJCBDO-MDZRGWNJSA-N 0 1 364.873 2.553 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000766490661 737234640 /nfs/dbraw/zinc/23/46/40/737234640.db2.gz UUWWKAHPNGVATN-OAHLLOKOSA-N 0 1 354.219 2.987 20 10 FFCDMN CC(=O)NC1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805047364 740931066 /nfs/dbraw/zinc/93/10/66/740931066.db2.gz XHGFSFSFPHWLPC-UHFFFAOYSA-N 0 1 374.268 2.946 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCSC1 ZINC000771066174 737691458 /nfs/dbraw/zinc/69/14/58/737691458.db2.gz OWKAXOGDWBKHNG-IUODEOHRSA-N 0 1 354.903 2.879 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525183 738099266 /nfs/dbraw/zinc/09/92/66/738099266.db2.gz DSHGVHOXWDIVFT-HUUCEWRRSA-N 0 1 362.861 2.934 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775663583 738110358 /nfs/dbraw/zinc/11/03/58/738110358.db2.gz OGYWIASKKRUXPV-RYUDHWBXSA-N 0 1 358.841 2.548 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c(Cl)c1 ZINC000922496149 738155748 /nfs/dbraw/zinc/15/57/48/738155748.db2.gz FRHLGWTXNOWVQJ-UHFFFAOYSA-N 0 1 351.834 2.661 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922813558 738205027 /nfs/dbraw/zinc/20/50/27/738205027.db2.gz WCORFOZOBXDCLJ-GFCCVEGCSA-N 0 1 356.260 2.973 20 10 FFCDMN O=C1NCCN(Cc2c(O)ccc(Cl)c2F)[C@H]1c1ccccc1F ZINC000792173391 739646613 /nfs/dbraw/zinc/64/66/13/739646613.db2.gz GAOBTJRRPLBTNU-INIZCTEOSA-N 0 1 352.768 2.997 20 10 FFCDMN NS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000792174793 739646714 /nfs/dbraw/zinc/64/67/14/739646714.db2.gz KLOZLGXQZZMDGT-UHFFFAOYSA-N 0 1 373.261 2.909 20 10 FFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793362546 739773757 /nfs/dbraw/zinc/77/37/57/739773757.db2.gz VQXGDJKCGGRWPP-CJNGLKHVSA-N 0 1 356.806 2.724 20 10 FFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793362547 739773860 /nfs/dbraw/zinc/77/38/60/739773860.db2.gz VQXGDJKCGGRWPP-CZUORRHYSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031275 740093825 /nfs/dbraw/zinc/09/38/25/740093825.db2.gz IXNKGPJRQKQZLI-MLGOLLRUSA-N 0 1 356.260 2.925 20 10 FFCDMN COc1cc(Br)cc(CN[C@@H](c2nncn2C)C(C)C)c1O ZINC000796454791 740144453 /nfs/dbraw/zinc/14/44/53/740144453.db2.gz ROWQFQTXFLPIAS-CYBMUJFWSA-N 0 1 369.263 2.779 20 10 FFCDMN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135331 740943612 /nfs/dbraw/zinc/94/36/12/740943612.db2.gz JWNWHXLUYIHJCR-UHFFFAOYSA-N 0 1 364.254 2.528 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000805824961 741014605 /nfs/dbraw/zinc/01/46/05/741014605.db2.gz IMGWPLTWTIXNAR-AWEZNQCLSA-N 0 1 352.862 2.986 20 10 FFCDMN COCCn1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806219155 741047010 /nfs/dbraw/zinc/04/70/10/741047010.db2.gz FMJXOQWOTVQSLP-UHFFFAOYSA-N 0 1 359.213 2.864 20 10 FFCDMN COCCOCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806726898 741081715 /nfs/dbraw/zinc/08/17/15/741081715.db2.gz HUHFFRHXBDUWRB-UHFFFAOYSA-N 0 1 351.230 2.551 20 10 FFCDMN Cn1cc(C(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807837894 741162856 /nfs/dbraw/zinc/16/28/56/741162856.db2.gz FKCXXQABKUSMAK-UHFFFAOYSA-N 0 1 356.209 2.712 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000807838825 741162977 /nfs/dbraw/zinc/16/29/77/741162977.db2.gz RQZRWSUUWZQDOI-AWEZNQCLSA-N 0 1 366.204 2.903 20 10 FFCDMN COC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000807839251 741163482 /nfs/dbraw/zinc/16/34/82/741163482.db2.gz AQJHBACDGJNZAX-UHFFFAOYSA-N 0 1 355.177 2.811 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000809708820 741334612 /nfs/dbraw/zinc/33/46/12/741334612.db2.gz HZXRSNLOOILSME-LSDHHAIUSA-N 0 1 368.861 2.915 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000809778843 741343083 /nfs/dbraw/zinc/34/30/83/741343083.db2.gz WTCAAKMRWLDGTG-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000809778843 741343087 /nfs/dbraw/zinc/34/30/87/741343087.db2.gz WTCAAKMRWLDGTG-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000811509923 741532046 /nfs/dbraw/zinc/53/20/46/741532046.db2.gz MBUACBCALRSMRZ-DYVFJYSZSA-N 0 1 363.841 2.970 20 10 FFCDMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816608657 742046824 /nfs/dbraw/zinc/04/68/24/742046824.db2.gz GGHROYBAHQFRJU-CRAIPNDOSA-N 0 1 362.495 2.743 20 10 FFCDMN COc1ccc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)nc1 ZINC000825305055 743244797 /nfs/dbraw/zinc/24/47/97/743244797.db2.gz BJATXNZIOUHRMD-UHFFFAOYSA-N 0 1 351.809 2.911 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000825391594 743261602 /nfs/dbraw/zinc/26/16/02/743261602.db2.gz YNRUUWCXFQJBGN-RDJZCZTQSA-N 0 1 366.255 2.729 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000825531519 743290166 /nfs/dbraw/zinc/29/01/66/743290166.db2.gz YJFVVBWVDZAZQT-UHFFFAOYSA-N 0 1 354.273 2.789 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1Cl ZINC000825892669 743339640 /nfs/dbraw/zinc/33/96/40/743339640.db2.gz GJISNORRKIPGAO-MQVJKMGUSA-N 0 1 365.905 2.527 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000826903340 743467196 /nfs/dbraw/zinc/46/71/96/743467196.db2.gz PJTMENVVURKSIF-NILFDRSVSA-N 0 1 358.276 2.810 20 10 FFCDMN CCC[C@@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095332 743504608 /nfs/dbraw/zinc/50/46/08/743504608.db2.gz DRKALASFCCZNIH-DOTOQJQBSA-N 0 1 354.878 2.941 20 10 FFCDMN CSc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])[NH+](C)C)cc1 ZINC000832932898 745766394 /nfs/dbraw/zinc/76/63/94/745766394.db2.gz CKHNRAAOEFXDDG-AWEZNQCLSA-N 0 1 364.442 2.992 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834850446 745914081 /nfs/dbraw/zinc/91/40/81/745914081.db2.gz MOIOWTSTQJPMJL-TZMCWYRMSA-N 0 1 357.292 2.652 20 10 FFCDMN CCS(=O)(=O)N(C)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028962 745933365 /nfs/dbraw/zinc/93/33/65/745933365.db2.gz OCBJTCICGXCTRJ-VOTSOKGWSA-N 0 1 365.543 2.512 20 10 FFCDMN CCn1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000838973249 746747979 /nfs/dbraw/zinc/74/79/79/746747979.db2.gz WIIOUTZPJHBAEB-CYBMUJFWSA-N 0 1 351.401 2.658 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000840885605 747213050 /nfs/dbraw/zinc/21/30/50/747213050.db2.gz ZPSVUTZJGFMXLN-GFCCVEGCSA-N 0 1 365.813 2.612 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000840945402 747237393 /nfs/dbraw/zinc/23/73/93/747237393.db2.gz MLXRODZSTMKJHE-ZDUSSCGKSA-N 0 1 372.918 2.648 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000840945402 747237400 /nfs/dbraw/zinc/23/74/00/747237400.db2.gz MLXRODZSTMKJHE-ZDUSSCGKSA-N 0 1 372.918 2.648 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1O ZINC000840995737 747252889 /nfs/dbraw/zinc/25/28/89/747252889.db2.gz PDSSFZYBNCSUCX-SNVBAGLBSA-N 0 1 358.232 2.850 20 10 FFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745234 747447641 /nfs/dbraw/zinc/44/76/41/747447641.db2.gz OKGGTKRNFKWALG-CYBMUJFWSA-N 0 1 368.886 2.816 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccccc3C[S@](C)=O)cc2)CC1 ZINC000843403473 747827496 /nfs/dbraw/zinc/82/74/96/747827496.db2.gz GOCSLJUZECTWLR-VWLOTQADSA-N 0 1 357.523 2.929 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015045 748382585 /nfs/dbraw/zinc/38/25/85/748382585.db2.gz VTBDNLFTFFQTEP-BMIGLBTASA-N 0 1 350.346 2.660 20 10 FFCDMN O=C(NCCO[C@@H]1CC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000852528567 749884641 /nfs/dbraw/zinc/88/46/41/749884641.db2.gz WIDCVCVJJQEVRQ-SNVBAGLBSA-N 0 1 355.168 2.922 20 10 FFCDMN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)c3cccc(Cl)c3)C2)cc1 ZINC000852899638 749971004 /nfs/dbraw/zinc/97/10/04/749971004.db2.gz AYWUJDSEEHTKHS-YJBOKZPZSA-N 0 1 359.857 2.744 20 10 FFCDMN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000853092758 750007253 /nfs/dbraw/zinc/00/72/53/750007253.db2.gz LTCQHHPOCQKHMZ-OAHLLOKOSA-N 0 1 352.228 2.987 20 10 FFCDMN COc1cccc(OCCN2CCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC000180535696 970829442 /nfs/dbraw/zinc/82/94/42/970829442.db2.gz FBJJCLIDMBYAML-UHFFFAOYSA-N 0 1 372.465 2.606 20 10 FFCDMN COc1ccc(CN2CCc3cccc(NC(C)=O)c3C2)c(O)c1OC ZINC000895745503 970910263 /nfs/dbraw/zinc/91/02/63/970910263.db2.gz SOQMXRXTPWTKHA-UHFFFAOYSA-N 0 1 356.422 2.926 20 10 FFCDMN CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275838020 1013060095 /nfs/dbraw/zinc/06/00/95/1013060095.db2.gz RSFDHUAJSORTNQ-LJQANCHMSA-N 0 1 366.889 2.897 20 10 FFCDMN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275838020 1013060113 /nfs/dbraw/zinc/06/01/13/1013060113.db2.gz RSFDHUAJSORTNQ-LJQANCHMSA-N 0 1 366.889 2.897 20 10 FFCDMN CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837157 1013062744 /nfs/dbraw/zinc/06/27/44/1013062744.db2.gz LDAPDLYTBKKVQZ-HNNXBMFYSA-N 0 1 366.889 2.800 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275838258 1013063421 /nfs/dbraw/zinc/06/34/21/1013063421.db2.gz USKTXYOGOJTCQS-LJQANCHMSA-N 0 1 366.889 2.895 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275838258 1013063430 /nfs/dbraw/zinc/06/34/30/1013063430.db2.gz USKTXYOGOJTCQS-LJQANCHMSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837741 1013067169 /nfs/dbraw/zinc/06/71/69/1013067169.db2.gz RXWCWICXMFITPY-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837741 1013067185 /nfs/dbraw/zinc/06/71/85/1013067185.db2.gz RXWCWICXMFITPY-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001275837741 1013067197 /nfs/dbraw/zinc/06/71/97/1013067197.db2.gz RXWCWICXMFITPY-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892659 1013148320 /nfs/dbraw/zinc/14/83/20/1013148320.db2.gz HXCABAKQVSNJBS-IUIKQTSFSA-N 0 1 350.846 2.588 20 10 FFCDMN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892659 1013148325 /nfs/dbraw/zinc/14/83/25/1013148325.db2.gz HXCABAKQVSNJBS-IUIKQTSFSA-N 0 1 350.846 2.588 20 10 FFCDMN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1O ZINC001275892659 1013148313 /nfs/dbraw/zinc/14/83/13/1013148313.db2.gz HXCABAKQVSNJBS-IUIKQTSFSA-N 0 1 350.846 2.588 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)CC1 ZINC000049740636 960322870 /nfs/dbraw/zinc/32/28/70/960322870.db2.gz WCHXCFPSTRBXGR-UHFFFAOYSA-N 0 1 362.477 2.779 20 10 FFCDMN CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275950942 1013223238 /nfs/dbraw/zinc/22/32/38/1013223238.db2.gz BQKMNQKHNPZDMO-IBGZPJMESA-N 0 1 368.424 2.664 20 10 FFCDMN COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1Cn1cccn1 ZINC000873035479 1013357533 /nfs/dbraw/zinc/35/75/33/1013357533.db2.gz KKKDDNNZRUMQAV-SJORKVTESA-N 0 1 370.497 2.819 20 10 FFCDMN CN1CCN(c2ccc(CNc3cnc(C(F)(F)F)nc3)cc2)CC1 ZINC001167431118 963083173 /nfs/dbraw/zinc/08/31/73/963083173.db2.gz HYCAGJGRXGEDII-UHFFFAOYSA-N 0 1 351.376 2.859 20 10 FFCDMN O=C1CO[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)CN1CC1CCCC1 ZINC001276085421 1013431751 /nfs/dbraw/zinc/43/17/51/1013431751.db2.gz IPLMMBUABPFRSE-HXUWFJFHSA-N 0 1 362.445 2.525 20 10 FFCDMN COc1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)c(O)c1OC ZINC000894518478 965442172 /nfs/dbraw/zinc/44/21/72/965442172.db2.gz CQMKYURRVPUSRE-CQSZACIVSA-N 0 1 374.437 2.510 20 10 FFCDMN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1 ZINC000840882063 974005707 /nfs/dbraw/zinc/00/57/07/974005707.db2.gz SHGACYATCVZIDJ-UHFFFAOYSA-N 0 1 366.387 2.930 20 10 FFCDMN COC(=O)c1cc(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)oc1C ZINC000876554931 1014301531 /nfs/dbraw/zinc/30/15/31/1014301531.db2.gz KEHUPEPJSNUSOS-UHFFFAOYSA-N 0 1 372.465 2.968 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000796580173 1014388837 /nfs/dbraw/zinc/38/88/37/1014388837.db2.gz IMMGWJKRGMFFEJ-OAQYLSRUSA-N 0 1 353.466 2.783 20 10 FFCDMN C[S@@](=O)C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172594 1014498477 /nfs/dbraw/zinc/49/84/77/1014498477.db2.gz ULSFNTZORDEINF-QFQXNSOFSA-N 0 1 372.534 2.857 20 10 FFCDMN COCCO[C@]12CCC[C@@]1(NCc1cc(F)c(N(C)C)cc1F)CCO2 ZINC000897998141 982571571 /nfs/dbraw/zinc/57/15/71/982571571.db2.gz PCMRGPSFQOCWJA-RTBURBONSA-N 0 1 370.440 2.823 20 10 FFCDMN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596617189 984587905 /nfs/dbraw/zinc/58/79/05/984587905.db2.gz LZJVNXHPVCPSCA-ZDUSSCGKSA-N 0 1 362.401 2.933 20 10 FFCDMN C[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000060106622 984863062 /nfs/dbraw/zinc/86/30/62/984863062.db2.gz OBFGIHBCXJFTFM-AWEZNQCLSA-N 0 1 350.422 2.891 20 10 FFCDMN C[C@@H]1CN(c2ccc(CNCc3cnn(CCF)c3)cc2F)C[C@H](C)O1 ZINC000921553344 985298319 /nfs/dbraw/zinc/29/83/19/985298319.db2.gz SZOUAELUKOIGNY-GASCZTMLSA-N 0 1 364.440 2.895 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cnc(C4CC4)o3)cc2F)CC1 ZINC000878761909 1015202313 /nfs/dbraw/zinc/20/23/13/1015202313.db2.gz RIRQFKKWOVGBQV-UHFFFAOYSA-N 0 1 372.444 2.763 20 10 FFCDMN Cc1c(C)n(C)c2ccc(OS(=O)(=O)C[C@@]34CC[N@@H+](C3)CCC4)cc12 ZINC001212202534 988294452 /nfs/dbraw/zinc/29/44/52/988294452.db2.gz RHDXXAHIVXGCTE-IBGZPJMESA-N 0 1 362.495 2.990 20 10 FFCDMN CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1F ZINC001598306515 991264968 /nfs/dbraw/zinc/26/49/68/991264968.db2.gz XURTXJCPVQVCMI-CQSZACIVSA-N 0 1 352.303 2.870 20 10 FFCDMN CN(C)c1cc(F)c(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1F ZINC001598306515 991264977 /nfs/dbraw/zinc/26/49/77/991264977.db2.gz XURTXJCPVQVCMI-CQSZACIVSA-N 0 1 352.303 2.870 20 10 FFCDMN COc1cc2nc(CN[C@H](C)c3ccccc3O)[nH]c(=O)c2cc1OC ZINC000879648419 1015624152 /nfs/dbraw/zinc/62/41/52/1015624152.db2.gz ODOBEQWZLFBKMS-LLVKDONJSA-N 0 1 355.394 2.909 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)c(OC)c1 ZINC001599585998 993614572 /nfs/dbraw/zinc/61/45/72/993614572.db2.gz JOFFPXAPKNDJSU-UHFFFAOYSA-N 0 1 362.451 2.786 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000747548108 994446551 /nfs/dbraw/zinc/44/65/51/994446551.db2.gz VPRKSAIFPRIGBC-GFCCVEGCSA-N 0 1 353.382 2.864 20 10 FFCDMN CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241208 994741342 /nfs/dbraw/zinc/74/13/42/994741342.db2.gz PAQQTHLRIVJCSP-GFCCVEGCSA-N 0 1 372.347 2.530 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC001132899069 995193159 /nfs/dbraw/zinc/19/31/59/995193159.db2.gz LFAQBJDTWHRSSU-UHFFFAOYSA-N 0 1 367.468 2.926 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C)cc2F)CC1 ZINC000730126739 996857597 /nfs/dbraw/zinc/85/75/97/996857597.db2.gz RWDQYGUVWZHFCO-MAUKXSAKSA-N 0 1 362.493 2.955 20 10 FFCDMN Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874823 996936071 /nfs/dbraw/zinc/93/60/71/996936071.db2.gz UEVVHJVCKADKIZ-DYESRHJHSA-N 0 1 368.525 2.767 20 10 FFCDMN CN(C)c1ccc(CN(CCNS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000730663984 997379806 /nfs/dbraw/zinc/37/98/06/997379806.db2.gz WLBZHXRJMKAREO-UHFFFAOYSA-N 0 1 373.522 2.696 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CNC1(c3ccc(F)cc3)CC1)cc2=O ZINC000730933022 997569881 /nfs/dbraw/zinc/56/98/81/997569881.db2.gz SQJKOHTYBYOEOU-UHFFFAOYSA-N 0 1 370.384 2.530 20 10 FFCDMN Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214930 997731350 /nfs/dbraw/zinc/73/13/50/997731350.db2.gz LQMKIDZUILGJDC-BRLPQQTGSA-N 0 1 356.382 2.810 20 10 FFCDMN COc1c(O)c(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599345914 998006012 /nfs/dbraw/zinc/00/60/12/998006012.db2.gz UETJBQDTRNYOMO-SWLSCSKDSA-N 0 1 374.393 2.731 20 10 FFCDMN Oc1cc(F)c(Br)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001144298345 998284812 /nfs/dbraw/zinc/28/48/12/998284812.db2.gz CDFPLFCFEIBMAZ-STQMWFEESA-N 0 1 354.166 2.538 20 10 FFCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001144298293 998285106 /nfs/dbraw/zinc/28/51/06/998285106.db2.gz ATIUDRQHWCHIBB-AWEZNQCLSA-N 0 1 350.203 2.980 20 10 FFCDMN CN1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732283311 998597407 /nfs/dbraw/zinc/59/74/07/998597407.db2.gz WKPABWHUFJMXGQ-KRWDZBQOSA-N 0 1 367.440 2.857 20 10 FFCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000733330808 998964149 /nfs/dbraw/zinc/96/41/49/998964149.db2.gz OMKUZVFGZQSVSG-BEFAXECRSA-N 0 1 374.506 2.928 20 10 FFCDMN CCO[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000741054189 999705761 /nfs/dbraw/zinc/70/57/61/999705761.db2.gz JMMGYVJLOUCCEA-MOPGFXCFSA-N 0 1 361.530 2.846 20 10 FFCDMN COc1ccc(N2CCN(CCNc3ncnc4ccsc43)CC2)cc1 ZINC000742928483 999793848 /nfs/dbraw/zinc/79/38/48/999793848.db2.gz SSZZWMGWXVMUHK-UHFFFAOYSA-N 0 1 369.494 2.934 20 10 FFCDMN COc1cc(OC)c(CNCc2ccc(N3CCOCC3)cc2)cc1F ZINC000845926387 1000185504 /nfs/dbraw/zinc/18/55/04/1000185504.db2.gz QEMQSAIOWVEFHF-UHFFFAOYSA-N 0 1 360.429 2.969 20 10 FFCDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252220 1000245845 /nfs/dbraw/zinc/24/58/45/1000245845.db2.gz WDKFGRCTWWMEKT-DOMZBBRYSA-N 0 1 352.394 2.511 20 10 FFCDMN Cc1cc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846287936 1000254034 /nfs/dbraw/zinc/25/40/34/1000254034.db2.gz VNJKHENVZJRJLY-GHTZIAJQSA-N 0 1 358.482 2.908 20 10 FFCDMN Cc1ccc(C)c(N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768463411 1000262976 /nfs/dbraw/zinc/26/29/76/1000262976.db2.gz SPEJLOYSFJPYKB-FQEVSTJZSA-N 0 1 354.450 2.757 20 10 FFCDMN COc1cccc(O)c1CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000769130655 1000442035 /nfs/dbraw/zinc/44/20/35/1000442035.db2.gz AWCPMOJDDXOLJB-UHFFFAOYSA-N 0 1 372.440 2.817 20 10 FFCDMN C[C@@H](NCc1cc(-c2cnn(C)c2)no1)c1ccc(N2CCOCC2)cc1 ZINC000769215967 1000466926 /nfs/dbraw/zinc/46/69/26/1000466926.db2.gz CDGIMHDIILLODQ-OAHLLOKOSA-N 0 1 367.453 2.763 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCOC2)C1 ZINC000769663800 1000571668 /nfs/dbraw/zinc/57/16/68/1000571668.db2.gz SZXPDIASUYXQTQ-INIZCTEOSA-N 0 1 356.466 2.988 20 10 FFCDMN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N3CCN(C)CC3)cc1)N2 ZINC000771518064 1001134234 /nfs/dbraw/zinc/13/42/34/1001134234.db2.gz MVZLLVBFAGTUCA-FQEVSTJZSA-N 0 1 366.465 2.643 20 10 FFCDMN CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001276193310 1016507725 /nfs/dbraw/zinc/50/77/25/1016507725.db2.gz YTHKJJQWERHNDH-LJQANCHMSA-N 0 1 368.424 2.664 20 10 FFCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CCCC[C@@H](C)C3)cc12 ZINC001184356707 1002565505 /nfs/dbraw/zinc/56/55/05/1002565505.db2.gz LRAKDDNXOXDUGY-CQSZACIVSA-N 0 1 372.465 2.887 20 10 FFCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N(C(C)C)C(C)C)cc12 ZINC001184355112 1002579688 /nfs/dbraw/zinc/57/96/88/1002579688.db2.gz RPAFYYVDTYQURN-UHFFFAOYSA-N 0 1 360.454 2.884 20 10 FFCDMN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000793455557 1003386932 /nfs/dbraw/zinc/38/69/32/1003386932.db2.gz DVRPAUSYLRPQBT-DNVCBOLYSA-N 0 1 365.493 2.645 20 10 FFCDMN Cc1ccc([C@@H]2COCCN2Cc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000775700065 1003706509 /nfs/dbraw/zinc/70/65/09/1003706509.db2.gz FCGFKVJTSHBFBI-FQEVSTJZSA-N 0 1 355.482 2.913 20 10 FFCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001193612645 1004523091 /nfs/dbraw/zinc/52/30/91/1004523091.db2.gz QSVRUXNUDXIWBL-UHFFFAOYSA-N 0 1 361.707 2.692 20 10 FFCDMN CCOC(=O)C[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C[C@H]1C ZINC001193612759 1004523198 /nfs/dbraw/zinc/52/31/98/1004523198.db2.gz SJEDWSWPBGSKSG-GHMZBOCLSA-N 0 1 355.818 2.803 20 10 FFCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC001193613058 1004523579 /nfs/dbraw/zinc/52/35/79/1004523579.db2.gz YRPVGTJAJUOPOB-AWEZNQCLSA-N 0 1 363.797 2.671 20 10 FFCDMN O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(O)c(O)c(Cl)c1 ZINC001193625168 1004527113 /nfs/dbraw/zinc/52/71/13/1004527113.db2.gz NMZLVZKYINMLAP-UHFFFAOYSA-N 0 1 351.767 2.762 20 10 FFCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=C1CC(=O)Nc2cc(F)ccc21 ZINC000808093425 1004751023 /nfs/dbraw/zinc/75/10/23/1004751023.db2.gz NOGAWYRUILWXJC-ZDUSSCGKSA-N 0 1 363.385 2.759 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccccc3)cc2F)CC1 ZINC000106506573 1005326195 /nfs/dbraw/zinc/32/61/95/1005326195.db2.gz BWLNODIJLHUYEZ-UHFFFAOYSA-N 0 1 370.472 2.967 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000007251261 1005784534 /nfs/dbraw/zinc/78/45/34/1005784534.db2.gz HSRXFPPRWVBTAN-HXUWFJFHSA-N 0 1 354.498 2.887 20 10 FFCDMN CC[C@@H](NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852596397 1006096138 /nfs/dbraw/zinc/09/61/38/1006096138.db2.gz LNSYBBZLNWBWGD-HXUWFJFHSA-N 0 1 374.529 2.695 20 10 FFCDMN CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1 ZINC000852702872 1006148914 /nfs/dbraw/zinc/14/89/14/1006148914.db2.gz KGIQCVMQCFNODJ-HXUWFJFHSA-N 0 1 352.482 2.826 20 10 FFCDMN CN1CCN(c2ccc(CN3C[C@H](CO)Cc4ccccc43)cc2)CC1 ZINC000814169546 1006185282 /nfs/dbraw/zinc/18/52/82/1006185282.db2.gz IYYHZLIWCABGIW-LJQANCHMSA-N 0 1 351.494 2.610 20 10 FFCDMN 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373.497 2.878 20 10 FFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000834162485 605610981 /nfs/dbraw/zinc/61/09/81/605610981.db2.gz YFDUAUIHEHGKBN-JLYLLQBASA-N 0 1 359.470 2.676 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1O ZINC000833896941 605655395 /nfs/dbraw/zinc/65/53/95/605655395.db2.gz BRYMMHIUTKPBRL-GHMZBOCLSA-N 0 1 357.248 2.941 20 10 FFCDMN CC[N@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000076118424 728255444 /nfs/dbraw/zinc/25/54/44/728255444.db2.gz LYHGMFSRJWLMJT-UHFFFAOYSA-N 0 1 357.292 2.699 20 10 FFCDMN CC[N@@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000076118424 728255445 /nfs/dbraw/zinc/25/54/45/728255445.db2.gz LYHGMFSRJWLMJT-UHFFFAOYSA-N 0 1 357.292 2.699 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000093320036 728475356 /nfs/dbraw/zinc/47/53/56/728475356.db2.gz RCPYELRZYJICMF-UHFFFAOYSA-N 0 1 372.181 2.528 20 10 FFCDMN CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1[O-] ZINC000174881852 729082074 /nfs/dbraw/zinc/08/20/74/729082074.db2.gz VGUJOTRSJMOTNB-UHFFFAOYSA-N 0 1 369.219 2.782 20 10 FFCDMN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1[O-] ZINC000174881852 729082079 /nfs/dbraw/zinc/08/20/79/729082079.db2.gz VGUJOTRSJMOTNB-UHFFFAOYSA-N 0 1 369.219 2.782 20 10 FFCDMN CN(C)c1cc(F)c(CNCCNC(=O)c2ccc(F)cc2)cc1F ZINC000858107246 730416764 /nfs/dbraw/zinc/41/67/64/730416764.db2.gz LCFSERQWZIMQFP-UHFFFAOYSA-N 0 1 351.372 2.690 20 10 FFCDMN COc1cccc(O)c1CNCc1cc(Br)cnc1OC ZINC000858249469 730420933 /nfs/dbraw/zinc/42/09/33/730420933.db2.gz QYHIBEAZPDNHPU-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000858307063 730422304 /nfs/dbraw/zinc/42/23/04/730422304.db2.gz ZUTUQSFZIRUQLZ-UHFFFAOYSA-N 0 1 362.813 2.854 20 10 FFCDMN Cc1cc(O)c(CNCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000858307063 730422306 /nfs/dbraw/zinc/42/23/06/730422306.db2.gz ZUTUQSFZIRUQLZ-UHFFFAOYSA-N 0 1 362.813 2.854 20 10 FFCDMN O=C1CCCN1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862238991 730679842 /nfs/dbraw/zinc/67/98/42/730679842.db2.gz QZBUCUIXFXXOIS-UHFFFAOYSA-N 0 1 353.260 2.742 20 10 FFCDMN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862248963 730681721 /nfs/dbraw/zinc/68/17/21/730681721.db2.gz VBRNJYGXONJXGO-JKSUJKDBSA-N 0 1 370.287 2.907 20 10 FFCDMN CN(C)c1cc(F)c(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1F ZINC000864055393 730820227 /nfs/dbraw/zinc/82/02/27/730820227.db2.gz OVVMSSKPDKADAZ-OAHLLOKOSA-N 0 1 354.441 2.784 20 10 FFCDMN CN(C)c1cc(F)c(CN2CC3(CCOCC3)CC[C@@H]2CO)cc1F ZINC000864055393 730820231 /nfs/dbraw/zinc/82/02/31/730820231.db2.gz OVVMSSKPDKADAZ-OAHLLOKOSA-N 0 1 354.441 2.784 20 10 FFCDMN CCOCc1cc(CNC[C@H](n2cncn2)C(F)(F)F)ccc1OC ZINC000865682411 730985215 /nfs/dbraw/zinc/98/52/15/730985215.db2.gz FLDAGZGDBHQRMF-HNNXBMFYSA-N 0 1 358.364 2.716 20 10 FFCDMN [O-]c1c(F)c(F)ccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000876645930 732264800 /nfs/dbraw/zinc/26/48/00/732264800.db2.gz QHLCHLXOXNMQCN-UHFFFAOYSA-N 0 1 358.339 2.580 20 10 FFCDMN CCn1ncnc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876998509 732309750 /nfs/dbraw/zinc/30/97/50/732309750.db2.gz INADAAHMWKPWNT-UHFFFAOYSA-N 0 1 351.401 2.658 20 10 FFCDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965207 732810823 /nfs/dbraw/zinc/81/08/23/732810823.db2.gz AJIVFFPNTIZOJZ-PSLIRLAXSA-N 0 1 364.243 2.860 20 10 FFCDMN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000926953965 738672717 /nfs/dbraw/zinc/67/27/17/738672717.db2.gz RIYPOXCRGJMAOC-SNVBAGLBSA-N 0 1 364.305 2.876 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1[O-] ZINC000927146414 738696575 /nfs/dbraw/zinc/69/65/75/738696575.db2.gz NTHOQTYIDGSIIA-DGCLKSJQSA-N 0 1 365.275 2.881 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883368033 733375561 /nfs/dbraw/zinc/37/55/61/733375561.db2.gz DZDAIEKBVRDYAQ-SECBINFHSA-N 0 1 364.108 2.803 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000782976510 738769861 /nfs/dbraw/zinc/76/98/61/738769861.db2.gz IIZFZBMIECCAPO-ZDUSSCGKSA-N 0 1 374.495 2.832 20 10 FFCDMN CN1CCN(CCCNC(=O)C2=CC(=O)CS2)[C@@H](c2ccccc2)C1 ZINC000731869866 734702095 /nfs/dbraw/zinc/70/20/95/734702095.db2.gz XMMBZODURVAVTA-QGZVFWFLSA-N 0 1 359.495 2.562 20 10 FFCDMN Cc1cc(C(=O)NCc2nnc[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000732121277 734717866 /nfs/dbraw/zinc/71/78/66/734717866.db2.gz UOFRLQZYZTZPRC-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893908917 734770818 /nfs/dbraw/zinc/77/08/18/734770818.db2.gz GHRVEADIFLMHKG-JTQLQIEISA-N 0 1 356.394 2.511 20 10 FFCDMN COc1ccc(CN(CCNC(C)=O)Cc2ccsc2)c(O)c1OC ZINC000894263396 734827488 /nfs/dbraw/zinc/82/74/88/734827488.db2.gz GSHGFBNPSWBKRH-UHFFFAOYSA-N 0 1 364.467 2.609 20 10 FFCDMN CC(=O)N1CCN(Cc2cc(Br)cc(F)c2O)C(C)(C)C1 ZINC000894425035 734855418 /nfs/dbraw/zinc/85/54/18/734855418.db2.gz QORMJNFDDXQGKI-UHFFFAOYSA-N 0 1 359.239 2.737 20 10 FFCDMN O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591650 734884016 /nfs/dbraw/zinc/88/40/16/734884016.db2.gz FPFCJLXVMRPRQQ-AWEZNQCLSA-N 0 1 359.651 2.520 20 10 FFCDMN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(F)cc(F)c1O ZINC000895392314 734999617 /nfs/dbraw/zinc/99/96/17/734999617.db2.gz NZYGWNRCFCRVNS-MRXNPFEDSA-N 0 1 351.349 2.553 20 10 FFCDMN COCc1ncc2c(n1)CCN(Cc1cccc(Br)c1O)C2 ZINC000895415183 735003251 /nfs/dbraw/zinc/00/32/51/735003251.db2.gz OECNOUBPDVRCPE-UHFFFAOYSA-N 0 1 364.243 2.649 20 10 FFCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000748050516 735611918 /nfs/dbraw/zinc/61/19/18/735611918.db2.gz FJMOCZYYSJCADW-UHFFFAOYSA-N 0 1 350.434 2.813 20 10 FFCDMN COc1cccc(C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])c1 ZINC000756336660 736323501 /nfs/dbraw/zinc/32/35/01/736323501.db2.gz CPZFLKZHPZBGQV-CQSZACIVSA-N 0 1 353.777 2.979 20 10 FFCDMN CCCCOCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759888046 736602204 /nfs/dbraw/zinc/60/22/04/736602204.db2.gz ZWJXIARAEFZZIJ-UHFFFAOYSA-N 0 1 352.475 2.651 20 10 FFCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C1CC(O)C1 ZINC000761221995 736709100 /nfs/dbraw/zinc/70/91/00/736709100.db2.gz GZGHOLUODHKLDM-UHFFFAOYSA-N 0 1 365.065 2.872 20 10 FFCDMN CCC[C@@H](O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761982988 736779121 /nfs/dbraw/zinc/77/91/21/736779121.db2.gz OTMMUYZECJPHDD-HZPDHXFCSA-N 0 1 354.878 2.677 20 10 FFCDMN CCOC(=O)[C@H](Cc1ccccn1)NCc1c(O)ccc(Cl)c1F ZINC000763479706 736940339 /nfs/dbraw/zinc/94/03/39/736940339.db2.gz LTXIAYYIHAPRDX-AWEZNQCLSA-N 0 1 352.793 2.844 20 10 FFCDMN CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764791025 737049977 /nfs/dbraw/zinc/04/99/77/737049977.db2.gz LMAMFZCIIXWSFJ-LLVKDONJSA-N 0 1 358.280 2.684 20 10 FFCDMN C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792875 737050473 /nfs/dbraw/zinc/05/04/73/737050473.db2.gz YMQDAAKUKSQIQV-LBPRGKRZSA-N 0 1 370.291 2.828 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000769429298 737528851 /nfs/dbraw/zinc/52/88/51/737528851.db2.gz WYRCKYGBQXBUJM-SFHVURJKSA-N 0 1 353.532 2.566 20 10 FFCDMN CO[C@@H](C)c1noc(CN(C)Cc2cccc(Br)c2O)n1 ZINC000769567190 737542548 /nfs/dbraw/zinc/54/25/48/737542548.db2.gz OQMHGGNIYMKADH-VIFPVBQESA-N 0 1 356.220 2.877 20 10 FFCDMN CCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)COC1 ZINC000771056686 737689956 /nfs/dbraw/zinc/68/99/56/737689956.db2.gz GNVXMFDOWZBCHA-HNNXBMFYSA-N 0 1 352.862 2.553 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2nccn3cnnc23)C1 ZINC000771203261 737705860 /nfs/dbraw/zinc/70/58/60/737705860.db2.gz OSDCLESBJNIYKT-AWEZNQCLSA-N 0 1 358.833 2.560 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2nccn3cnnc23)C1 ZINC000771203261 737705864 /nfs/dbraw/zinc/70/58/64/737705864.db2.gz OSDCLESBJNIYKT-AWEZNQCLSA-N 0 1 358.833 2.560 20 10 FFCDMN CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000922453104 738147955 /nfs/dbraw/zinc/14/79/55/738147955.db2.gz XLELXISWPJQFLZ-UHFFFAOYSA-N 0 1 368.886 2.727 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOCC1 ZINC000787449953 739137700 /nfs/dbraw/zinc/13/77/00/739137700.db2.gz NDDVUGKFMGTSTA-YOEHRIQHSA-N 0 1 366.889 2.943 20 10 FFCDMN CCOCCN1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792776726 739706275 /nfs/dbraw/zinc/70/62/75/739706275.db2.gz IXQILJJYNNTDPJ-UHFFFAOYSA-N 0 1 359.436 2.926 20 10 FFCDMN CN(C)c1ccc(CNCc2ccc(C(N)=O)nc2)c(C(F)(F)F)c1 ZINC000793013534 739730692 /nfs/dbraw/zinc/73/06/92/739730692.db2.gz RFBIFMUQWJMXPX-UHFFFAOYSA-N 0 1 352.360 2.555 20 10 FFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000795689151 740052488 /nfs/dbraw/zinc/05/24/88/740052488.db2.gz QKSJTQXBDCRIOL-INIZCTEOSA-N 0 1 354.328 2.868 20 10 FFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000795689151 740052490 /nfs/dbraw/zinc/05/24/90/740052490.db2.gz QKSJTQXBDCRIOL-INIZCTEOSA-N 0 1 354.328 2.868 20 10 FFCDMN O=C(NCCNC(=O)c1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000804905178 740914735 /nfs/dbraw/zinc/91/47/35/740914735.db2.gz YWJIEDHWRWDJGM-UHFFFAOYSA-N 0 1 372.208 2.521 20 10 FFCDMN CC(C)n1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805135253 740943711 /nfs/dbraw/zinc/94/37/11/740943711.db2.gz RETPNSHZAFBMNC-UHFFFAOYSA-N 0 1 364.254 2.955 20 10 FFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2nonc21 ZINC000805135986 740944048 /nfs/dbraw/zinc/94/40/48/740944048.db2.gz YDZMWNQENGPSIO-UHFFFAOYSA-N 0 1 374.205 2.714 20 10 FFCDMN C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135844 740944224 /nfs/dbraw/zinc/94/42/24/740944224.db2.gz UTGBUOJDUSKVPI-MRVPVSSYSA-N 0 1 353.271 2.764 20 10 FFCDMN CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136770 741042546 /nfs/dbraw/zinc/04/25/46/741042546.db2.gz CEXFMJCPDFIKFH-CJNGLKHVSA-N 0 1 353.894 2.674 20 10 FFCDMN O=C1OCc2c1cccc2S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113947 741187797 /nfs/dbraw/zinc/18/77/97/741187797.db2.gz NNWFQKKVQKSIBW-UHFFFAOYSA-N 0 1 357.746 2.656 20 10 FFCDMN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809695898 741332784 /nfs/dbraw/zinc/33/27/84/741332784.db2.gz AQLZPHJIWNVIMJ-PBHICJAKSA-N 0 1 357.420 2.590 20 10 FFCDMN CC[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)S1(=O)=O ZINC000809725177 741337018 /nfs/dbraw/zinc/33/70/18/741337018.db2.gz KUVISXBSHYXQCA-CMPLNLGQSA-N 0 1 362.289 2.552 20 10 FFCDMN CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209778 741398126 /nfs/dbraw/zinc/39/81/26/741398126.db2.gz VRUSDTWDIRQXRT-CYBMUJFWSA-N 0 1 360.376 2.734 20 10 FFCDMN COc1ccc(O)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000811706058 741550074 /nfs/dbraw/zinc/55/00/74/741550074.db2.gz VUQUTZAMTLMTBW-UHFFFAOYSA-N 0 1 367.423 2.832 20 10 FFCDMN COc1ncc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813683869 741748718 /nfs/dbraw/zinc/74/87/18/741748718.db2.gz GALKDBIEHQFSDC-IHWYPQMZSA-N 0 1 354.193 2.827 20 10 FFCDMN CCCN(CCC)c1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171406 741800783 /nfs/dbraw/zinc/80/07/83/741800783.db2.gz NHSKJCGMZARPNE-LJQANCHMSA-N 0 1 367.559 2.779 20 10 FFCDMN O=S(=O)(CC[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000815045016 741889941 /nfs/dbraw/zinc/88/99/41/741889941.db2.gz MPUIXXABIYQUBT-SECBINFHSA-N 0 1 354.255 2.545 20 10 FFCDMN COc1cc(Br)cc(CN2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504221 742745368 /nfs/dbraw/zinc/74/53/68/742745368.db2.gz PJHVVRODKVLGAK-CYBMUJFWSA-N 0 1 367.247 2.592 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824653918 743123061 /nfs/dbraw/zinc/12/30/61/743123061.db2.gz JMQGDOJXHQHDFG-GUTXKFCHSA-N 0 1 356.260 2.517 20 10 FFCDMN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000824738224 743139303 /nfs/dbraw/zinc/13/93/03/743139303.db2.gz LAWJBQBHLOWYNP-UHFFFAOYSA-N 0 1 354.859 2.586 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000825703755 743314248 /nfs/dbraw/zinc/31/42/48/743314248.db2.gz DUGMQDHXWKBRKQ-HNNXBMFYSA-N 0 1 366.259 2.823 20 10 FFCDMN C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825726111 743318928 /nfs/dbraw/zinc/31/89/28/743318928.db2.gz 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COC(=O)c1cn(C)nc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001477198782 1061622589 /nfs/dbraw/zinc/62/25/89/1061622589.db2.gz XUMOIWLGCBFYAO-UHFFFAOYSA-N 0 1 373.196 2.541 20 10 FFCDMN C[C@H]1CCCCN1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001463827634 1062281735 /nfs/dbraw/zinc/28/17/35/1062281735.db2.gz VSNLCSAOGYDQKE-VIFPVBQESA-N 0 1 353.271 2.908 20 10 FFCDMN C[C@@H]1CCCCN1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001463827633 1062282373 /nfs/dbraw/zinc/28/23/73/1062282373.db2.gz VSNLCSAOGYDQKE-SECBINFHSA-N 0 1 353.271 2.908 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC001531524333 1062791236 /nfs/dbraw/zinc/79/12/36/1062791236.db2.gz JPPSIJCCJJRLBA-NRFANRHFSA-N 0 1 357.498 2.680 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2n(n1)CCC[C@H]2O ZINC001468667282 1064020652 /nfs/dbraw/zinc/02/06/52/1064020652.db2.gz FDKXTGXEIFCEOT-CYBMUJFWSA-N 0 1 356.209 2.653 20 10 FFCDMN CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001578997272 1078560498 /nfs/dbraw/zinc/56/04/98/1078560498.db2.gz ZZIFHIVWCZRWMA-UHFFFAOYSA-N 0 1 358.833 2.582 20 10 FFCDMN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001560200748 1076245863 /nfs/dbraw/zinc/24/58/63/1076245863.db2.gz KBSPITCIRBKIMQ-MOPGFXCFSA-N 0 1 363.465 2.846 20 10 FFCDMN CN1CCN(c2ccc(CNc3cnn(CC(F)(F)F)c3)cc2)CC1 ZINC001560400068 1076270820 /nfs/dbraw/zinc/27/08/20/1076270820.db2.gz RYCYZMAWXNPJEC-UHFFFAOYSA-N 0 1 353.392 2.809 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001570027590 1077178348 /nfs/dbraw/zinc/17/83/48/1077178348.db2.gz OMMQQJKFYOZQLO-UHFFFAOYSA-N 0 1 353.165 2.606 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccccc3O)cc2F)CC1 ZINC000106922439 507829647 /nfs/dbraw/zinc/82/96/47/507829647.db2.gz FEKGGIQEYQUWIW-UHFFFAOYSA-N 0 1 371.456 2.532 20 10 FFCDMN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092473495 508073458 /nfs/dbraw/zinc/07/34/58/508073458.db2.gz XRFYSPVBQWYYFN-CQSZACIVSA-N 0 1 366.285 2.933 20 10 FFCDMN O=C(CCc1cnccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000373538548 512384804 /nfs/dbraw/zinc/38/48/04/512384804.db2.gz OJFBRCRYSKZWPK-KRWDZBQOSA-N 0 1 374.872 2.549 20 10 FFCDMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000158435177 508703675 /nfs/dbraw/zinc/70/36/75/508703675.db2.gz BLMJECWBDMEKSL-RDTXWAMCSA-N 0 1 372.469 2.746 20 10 FFCDMN O=C([C@H]1CCCc2[nH]ncc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000136793853 508717265 /nfs/dbraw/zinc/71/72/65/508717265.db2.gz ZWBMTCJCYAUMTF-CVEARBPZSA-N 0 1 355.438 2.743 20 10 FFCDMN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc2nc[nH]c21 ZINC000159603253 508864631 /nfs/dbraw/zinc/86/46/31/508864631.db2.gz RNJLFNAGCPBUQB-UHFFFAOYSA-N 0 1 364.449 2.702 20 10 FFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000186103016 509522643 /nfs/dbraw/zinc/52/26/43/509522643.db2.gz SXOUREHBSBWIKH-HIFRSBDPSA-N 0 1 352.438 2.949 20 10 FFCDMN CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179677933 509570201 /nfs/dbraw/zinc/57/02/01/509570201.db2.gz ROMRBMDNAJRYDK-UHFFFAOYSA-N 0 1 360.907 2.648 20 10 FFCDMN O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181294254 510342528 /nfs/dbraw/zinc/34/25/28/510342528.db2.gz BSZJAPFMZAYVCZ-PXYYCUNGSA-N 0 1 354.410 2.513 20 10 FFCDMN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191206083 510547915 /nfs/dbraw/zinc/54/79/15/510547915.db2.gz DCIRUPSOXTVUIC-ZDUSSCGKSA-N 0 1 362.424 2.668 20 10 FFCDMN COc1cccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)N(C)C)c1 ZINC000266720265 510749308 /nfs/dbraw/zinc/74/93/08/510749308.db2.gz SSMBQOAWMDVDJO-QGZVFWFLSA-N 0 1 373.453 2.512 20 10 FFCDMN C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc2ccccc2c1[O-] ZINC000185256547 510776266 /nfs/dbraw/zinc/77/62/66/510776266.db2.gz QRWVOCOVMVXXRZ-AWEZNQCLSA-N 0 1 362.495 2.868 20 10 FFCDMN Fc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)cc1 ZINC000293954574 510909509 /nfs/dbraw/zinc/90/95/09/510909509.db2.gz ZOUAHYPDCFPGDG-LJQANCHMSA-N 0 1 367.428 2.660 20 10 FFCDMN COc1cccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1O ZINC000360775640 510947551 /nfs/dbraw/zinc/94/75/51/510947551.db2.gz JQWBQMJUTHCLGA-WMZOPIPTSA-N 0 1 373.428 2.785 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322427 510960708 /nfs/dbraw/zinc/96/07/08/510960708.db2.gz DORBAJCQONBLSW-KBPBESRZSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000277322427 510960713 /nfs/dbraw/zinc/96/07/13/510960713.db2.gz DORBAJCQONBLSW-KBPBESRZSA-N 0 1 368.275 2.581 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282654791 511062702 /nfs/dbraw/zinc/06/27/02/511062702.db2.gz IEBHLCMOBMBCAF-WBMJQRKESA-N 0 1 370.287 2.812 20 10 FFCDMN CN(C)c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1F ZINC000288486864 511077585 /nfs/dbraw/zinc/07/75/85/511077585.db2.gz QLRSMVXQZVBUMM-INIZCTEOSA-N 0 1 359.445 2.992 20 10 FFCDMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024172 511255811 /nfs/dbraw/zinc/25/58/11/511255811.db2.gz HRJUJBKEIUHXGQ-KGLIPLIRSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024172 511255815 /nfs/dbraw/zinc/25/58/15/511255815.db2.gz HRJUJBKEIUHXGQ-KGLIPLIRSA-N 0 1 350.434 2.964 20 10 FFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000291669232 511290349 /nfs/dbraw/zinc/29/03/49/511290349.db2.gz WECGZKXFFMYUCZ-CYBMUJFWSA-N 0 1 361.383 2.782 20 10 FFCDMN Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000280073015 511325310 /nfs/dbraw/zinc/32/53/10/511325310.db2.gz ZHUKNYKXEWSOEM-KBPBESRZSA-N 0 1 366.868 2.824 20 10 FFCDMN Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000280073015 511325315 /nfs/dbraw/zinc/32/53/15/511325315.db2.gz ZHUKNYKXEWSOEM-KBPBESRZSA-N 0 1 366.868 2.824 20 10 FFCDMN O=C(c1c(F)ccc(O)c1[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000295587778 511453371 /nfs/dbraw/zinc/45/33/71/511453371.db2.gz XGWHMEDIZGDPIB-UHFFFAOYSA-N 0 1 350.434 2.965 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCO[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162947 511640274 /nfs/dbraw/zinc/64/02/74/511640274.db2.gz YWMXSJYFKOZQJW-DYESRHJHSA-N 0 1 360.498 2.682 20 10 FFCDMN COC1CCN(c2ccc(CN3CCO[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162947 511640279 /nfs/dbraw/zinc/64/02/79/511640279.db2.gz YWMXSJYFKOZQJW-DYESRHJHSA-N 0 1 360.498 2.682 20 10 FFCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000284251870 511656273 /nfs/dbraw/zinc/65/62/73/511656273.db2.gz INKCUEJYIZHBHU-NVBFEUDRSA-N 0 1 360.292 2.963 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)c1cc(-n2cccn2)nc(N)n1 ZINC000301970243 511704918 /nfs/dbraw/zinc/70/49/18/511704918.db2.gz DDFRYNNPHVLTNN-UHFFFAOYSA-N 0 1 363.469 2.871 20 10 FFCDMN COC(=O)c1ccc([O-])c([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296469910 511756432 /nfs/dbraw/zinc/75/64/32/511756432.db2.gz NSLUXKDPOKNGGA-IJEWVQPXSA-N 0 1 368.433 2.521 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(CO)c1 ZINC000366000157 511775844 /nfs/dbraw/zinc/77/58/44/511775844.db2.gz JYYLPTZPRHHOPK-GOSISDBHSA-N 0 1 374.868 2.932 20 10 FFCDMN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905690 511842047 /nfs/dbraw/zinc/84/20/47/511842047.db2.gz DZVRESMLKWTRIA-NSHDSACASA-N 0 1 371.224 2.524 20 10 FFCDMN COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC1 ZINC000435920466 513716681 /nfs/dbraw/zinc/71/66/81/513716681.db2.gz KCCCHICJPYXHMH-LJQANCHMSA-N 0 1 369.509 2.949 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529679830 517281156 /nfs/dbraw/zinc/28/11/56/517281156.db2.gz QAZQVVDJNDEVEW-CKNLXJGOSA-N 0 1 358.301 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C2(CO)CC2)C1 ZINC000617899141 520772137 /nfs/dbraw/zinc/77/21/37/520772137.db2.gz QXFRDWDYGGALPO-INIZCTEOSA-N 0 1 369.509 2.685 20 10 FFCDMN CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736344403 599705180 /nfs/dbraw/zinc/70/51/80/599705180.db2.gz BLMYQNUPJWHCLO-OAHLLOKOSA-N 0 1 370.449 2.980 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+]2CC[C@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317909 600971410 /nfs/dbraw/zinc/97/14/10/600971410.db2.gz AVHFLPXKMZHIQX-MRXNPFEDSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(C(=O)C[N@H+]2CC[C@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317909 600971413 /nfs/dbraw/zinc/97/14/13/600971413.db2.gz AVHFLPXKMZHIQX-MRXNPFEDSA-N 0 1 370.449 2.679 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000833306824 601632265 /nfs/dbraw/zinc/63/22/65/601632265.db2.gz AEKWBLSGYXDSQK-ZWKOTPCHSA-N 0 1 357.406 2.623 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC000833694777 604643057 /nfs/dbraw/zinc/64/30/57/604643057.db2.gz CSWYUGNSTKPQAE-UHFFFAOYSA-N 0 1 350.434 2.882 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833695513 605041420 /nfs/dbraw/zinc/04/14/20/605041420.db2.gz OULLDVZOSIZYSZ-LJQANCHMSA-N 0 1 358.413 2.920 20 10 FFCDMN c1cc(-c2nnn[n-]2)sc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823756739 606410067 /nfs/dbraw/zinc/41/00/67/606410067.db2.gz GPGMJUBBSAXGQZ-UHFFFAOYSA-N 0 1 372.523 2.771 20 10 FFCDMN c1cc(-c2nn[n-]n2)sc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823756739 606410069 /nfs/dbraw/zinc/41/00/69/606410069.db2.gz GPGMJUBBSAXGQZ-UHFFFAOYSA-N 0 1 372.523 2.771 20 10 FFCDMN C[S@](=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154690280 728809995 /nfs/dbraw/zinc/80/99/95/728809995.db2.gz YCQOWDNPXSQDCK-CJFMBICVSA-N 0 1 358.507 2.733 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516184 735373974 /nfs/dbraw/zinc/37/39/74/735373974.db2.gz NQPKLKXMNRSPNY-UKRRQHHQSA-N 0 1 350.415 2.948 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc2)CC1 ZINC000899212909 735460260 /nfs/dbraw/zinc/46/02/60/735460260.db2.gz ZUPRBODGPIDBTF-DUXPYHPUSA-N 0 1 354.281 2.930 20 10 FFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@@H]1c1ccccc1 ZINC000092675690 728470070 /nfs/dbraw/zinc/47/00/70/728470070.db2.gz NQGPVMPHHAHESL-OAHLLOKOSA-N 0 1 361.239 2.828 20 10 FFCDMN Oc1c(Br)cccc1CN1CCN(CC(F)(F)F)CC1 ZINC000134086976 728728664 /nfs/dbraw/zinc/72/86/64/728728664.db2.gz CYUZHTBJDCFXGB-UHFFFAOYSA-N 0 1 353.182 2.835 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1 ZINC000186957383 729370776 /nfs/dbraw/zinc/37/07/76/729370776.db2.gz ZVXILJVXYBMUKP-UHFFFAOYSA-N 0 1 372.443 2.697 20 10 FFCDMN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858186661 730419161 /nfs/dbraw/zinc/41/91/61/730419161.db2.gz IIISGTOPAVUIBO-LALPHHSUSA-N 0 1 358.276 2.810 20 10 FFCDMN COc1ccc(N2CCN(CCN[C@@H](C)c3nc(C)cs3)CC2)cc1 ZINC000858358353 730423781 /nfs/dbraw/zinc/42/37/81/730423781.db2.gz DALDETKHYVDGJP-INIZCTEOSA-N 0 1 360.527 2.933 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCO1 ZINC000862247316 730681452 /nfs/dbraw/zinc/68/14/52/730681452.db2.gz ZYDWAQYYACYMBT-GFCCVEGCSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCO1 ZINC000862247316 730681453 /nfs/dbraw/zinc/68/14/53/730681453.db2.gz ZYDWAQYYACYMBT-GFCCVEGCSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CCN(Cc1c(O)cccc1Br)C[C@H]1CCCO1 ZINC000862247316 730681454 /nfs/dbraw/zinc/68/14/54/730681454.db2.gz ZYDWAQYYACYMBT-GFCCVEGCSA-N 0 1 372.259 2.699 20 10 FFCDMN Cc1cc(C(=O)NCCN2CC[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000863324247 730768985 /nfs/dbraw/zinc/76/89/85/730768985.db2.gz UHFQWIRCFHXYEN-QGZVFWFLSA-N 0 1 361.873 2.544 20 10 FFCDMN CC(C)[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1C ZINC000870983036 731583229 /nfs/dbraw/zinc/58/32/29/731583229.db2.gz OQCGMFIFYIVNHD-QGZVFWFLSA-N 0 1 358.511 2.728 20 10 FFCDMN Cc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797418 731832811 /nfs/dbraw/zinc/83/28/11/731832811.db2.gz YTWGKMGFAWVIFP-GOEBONIOSA-N 0 1 351.512 2.865 20 10 FFCDMN CCN(CC)c1ccc(CNCc2cccc(S(N)(=O)=O)c2)cc1F ZINC000877027596 732314851 /nfs/dbraw/zinc/31/48/51/732314851.db2.gz PUXFGCDFHAMLQU-UHFFFAOYSA-N 0 1 365.474 2.609 20 10 FFCDMN C[C@H]1CCCN(c2ccc(CNCc3cnc(N)nc3N)cc2Cl)C1 ZINC000877497819 732373580 /nfs/dbraw/zinc/37/35/80/732373580.db2.gz CLNOIOFSVYRMMP-LBPRGKRZSA-N 0 1 360.893 2.821 20 10 FFCDMN Cc1ncc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000879212250 732665859 /nfs/dbraw/zinc/66/58/59/732665859.db2.gz XOKHWCNGGHHVRI-OAHLLOKOSA-N 0 1 363.845 2.665 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000781908236 738670885 /nfs/dbraw/zinc/67/08/85/738670885.db2.gz GPBOZRINUOPBML-ZDUSSCGKSA-N 0 1 365.275 2.967 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000781904554 738670221 /nfs/dbraw/zinc/67/02/21/738670221.db2.gz ICQYSLUDBHDZEJ-LBPRGKRZSA-N 0 1 355.276 2.941 20 10 FFCDMN C[N@@H+](CC(=O)N1CCCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708213198 734362922 /nfs/dbraw/zinc/36/29/22/734362922.db2.gz YSZYKIQZTQBTSG-UHFFFAOYSA-N 0 1 361.667 2.862 20 10 FFCDMN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210877 734362934 /nfs/dbraw/zinc/36/29/34/734362934.db2.gz IHSBJSQOOSXWSO-AWEZNQCLSA-N 0 1 361.667 2.766 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000783700528 738827342 /nfs/dbraw/zinc/82/73/42/738827342.db2.gz GQHSRPHASAVANF-ZDUSSCGKSA-N 0 1 371.319 2.740 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000783700528 738827346 /nfs/dbraw/zinc/82/73/46/738827346.db2.gz GQHSRPHASAVANF-ZDUSSCGKSA-N 0 1 371.319 2.740 20 10 FFCDMN Oc1ccccc1CN(C[C@@H]1CCCO1)c1nc(Cl)nc2[nH]cnc21 ZINC000893018201 734638659 /nfs/dbraw/zinc/63/86/59/734638659.db2.gz GISLTAMJMOJVDI-LBPRGKRZSA-N 0 1 359.817 2.898 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000894043024 734791833 /nfs/dbraw/zinc/79/18/33/734791833.db2.gz DPFNBRDRNHAZGN-NSHDSACASA-N 0 1 358.129 2.793 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCSC[C@@H]1CCO ZINC000894089036 734799573 /nfs/dbraw/zinc/79/95/73/734799573.db2.gz OWSDFPOHTZBNRM-NSHDSACASA-N 0 1 350.253 2.594 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000894089036 734799574 /nfs/dbraw/zinc/79/95/74/734799574.db2.gz OWSDFPOHTZBNRM-NSHDSACASA-N 0 1 350.253 2.594 20 10 FFCDMN OCC[C@H]1CSCCN1Cc1cc(Br)cc(F)c1O ZINC000894089036 734799576 /nfs/dbraw/zinc/79/95/76/734799576.db2.gz OWSDFPOHTZBNRM-NSHDSACASA-N 0 1 350.253 2.594 20 10 FFCDMN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894096669 734801064 /nfs/dbraw/zinc/80/10/64/734801064.db2.gz YLBFZYDCVFKSQI-LLVKDONJSA-N 0 1 359.239 2.594 20 10 FFCDMN COC(=O)c1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000894193346 734815444 /nfs/dbraw/zinc/81/54/44/734815444.db2.gz IVRIEIDMGCCYGR-UHFFFAOYSA-N 0 1 364.442 2.800 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000894746929 734908990 /nfs/dbraw/zinc/90/89/90/734908990.db2.gz DOIJRTIMIYNOJY-KGLIPLIRSA-N 0 1 360.223 2.674 20 10 FFCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000896971305 735190161 /nfs/dbraw/zinc/19/01/61/735190161.db2.gz OXLLQTGXNMQCSU-SNVBAGLBSA-N 0 1 354.378 2.903 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000897173510 735201000 /nfs/dbraw/zinc/20/10/00/735201000.db2.gz VUDVQEGIPQLLPP-CQSZACIVSA-N 0 1 370.833 2.707 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897177162 735201751 /nfs/dbraw/zinc/20/17/51/735201751.db2.gz KJHHGXRFMFTLKM-HNNXBMFYSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897177162 735201756 /nfs/dbraw/zinc/20/17/56/735201756.db2.gz KJHHGXRFMFTLKM-HNNXBMFYSA-N 0 1 370.287 2.908 20 10 FFCDMN COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000756680682 736351704 /nfs/dbraw/zinc/35/17/04/736351704.db2.gz AMIXTLBZWVSJJU-NSHDSACASA-N 0 1 370.496 2.563 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000757706266 736421265 /nfs/dbraw/zinc/42/12/65/736421265.db2.gz VWDXGNHORHBHRP-DOMZBBRYSA-N 0 1 370.490 2.731 20 10 FFCDMN C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C[NH+]1CCCC1 ZINC000764790191 737050112 /nfs/dbraw/zinc/05/01/12/737050112.db2.gz IBANUWSSBISFGD-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768077281 737396091 /nfs/dbraw/zinc/39/60/91/737396091.db2.gz GIARLXKCUPAHIZ-XYPHTWIQSA-N 0 1 366.889 2.799 20 10 FFCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000771219222 737707125 /nfs/dbraw/zinc/70/71/25/737707125.db2.gz GGQRSDVPMJJXRD-UHFFFAOYSA-N 0 1 355.799 2.941 20 10 FFCDMN CO[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416593 737724786 /nfs/dbraw/zinc/72/47/86/737724786.db2.gz IIIFDQKQMPPGAL-RDJZCZTQSA-N 0 1 354.878 2.797 20 10 FFCDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773090701 737870566 /nfs/dbraw/zinc/87/05/66/737870566.db2.gz ZEHKYBBFDDNFJT-LLVKDONJSA-N 0 1 367.402 2.839 20 10 FFCDMN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775682537 738112359 /nfs/dbraw/zinc/11/23/59/738112359.db2.gz YPQDCDQGVJWEBZ-INIZCTEOSA-N 0 1 355.885 2.787 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922594992 738170735 /nfs/dbraw/zinc/17/07/35/738170735.db2.gz QDEIMKIWHUKSKB-UHFFFAOYSA-N 0 1 356.260 2.566 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922807597 738203866 /nfs/dbraw/zinc/20/38/66/738203866.db2.gz CTCRAEUXLJEXNL-AWEZNQCLSA-N 0 1 356.260 2.973 20 10 FFCDMN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000776868119 738239986 /nfs/dbraw/zinc/23/99/86/738239986.db2.gz GWGWYOVYVCQJJT-HZUKXOBISA-N 0 1 374.275 2.626 20 10 FFCDMN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007354 738252920 /nfs/dbraw/zinc/25/29/20/738252920.db2.gz LWPSGXUKSKEQFC-NHYWBVRUSA-N 0 1 350.356 2.890 20 10 FFCDMN CCN(CC)CCS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000786958513 739092888 /nfs/dbraw/zinc/09/28/88/739092888.db2.gz LOOWVIDYZLRXGX-UHFFFAOYSA-N 0 1 367.559 2.780 20 10 FFCDMN CCOC(=O)[C@@H](NCc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000789581081 739369715 /nfs/dbraw/zinc/36/97/15/739369715.db2.gz OEMIOCCOXRHUKI-JSGCOSHPSA-N 0 1 372.259 2.603 20 10 FFCDMN C[NH+]1CCC(n2cc(NC(=O)NCc3cccc(Cl)c3[O-])cn2)CC1 ZINC000932143942 739394884 /nfs/dbraw/zinc/39/48/84/739394884.db2.gz WVCGNCCYVWAUIE-UHFFFAOYSA-N 0 1 363.849 2.831 20 10 FFCDMN CC[C@@](C)(OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000795185722 739979546 /nfs/dbraw/zinc/97/95/46/739979546.db2.gz HNUHEAUFDBLLET-MAUKXSAKSA-N 0 1 354.878 2.941 20 10 FFCDMN CC[C@@](C)(OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000795185721 739979573 /nfs/dbraw/zinc/97/95/73/739979573.db2.gz HNUHEAUFDBLLET-CRAIPNDOSA-N 0 1 354.878 2.941 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)c1nnc2ccccc2c1O ZINC000804738316 740901851 /nfs/dbraw/zinc/90/18/51/740901851.db2.gz LLWCWSUVNMGPOW-UHFFFAOYSA-N 0 1 374.194 2.734 20 10 FFCDMN O=C(NCCOC[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805123352 740941778 /nfs/dbraw/zinc/94/17/78/740941778.db2.gz MEQPMYUPIFTCJS-LBPRGKRZSA-N 0 1 363.241 2.694 20 10 FFCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cncc(F)c1 ZINC000805134815 740943725 /nfs/dbraw/zinc/94/37/25/740943725.db2.gz KMCBGUAVINCUDC-UHFFFAOYSA-N 0 1 351.186 2.712 20 10 FFCDMN O=S(=O)(C[C@@H]1CCCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805134887 740943809 /nfs/dbraw/zinc/94/38/09/740943809.db2.gz BBMSJTZZVAEGQM-SECBINFHSA-N 0 1 354.255 2.545 20 10 FFCDMN C[C@@H](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)[S@@](C)=O ZINC000805217546 740950434 /nfs/dbraw/zinc/95/04/34/740950434.db2.gz MQIWIWMQGGLURX-HXNGOWOSSA-N 0 1 353.271 2.655 20 10 FFCDMN CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805280600 740956463 /nfs/dbraw/zinc/95/64/63/740956463.db2.gz KSPRJMJCZRGLAU-QWHCGFSZSA-N 0 1 363.241 2.692 20 10 FFCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCO1 ZINC000805390784 740965944 /nfs/dbraw/zinc/96/59/44/740965944.db2.gz OPJAMWKESYIIHF-QWHCGFSZSA-N 0 1 363.241 2.692 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCc2cn[nH]c21 ZINC000806985808 741099706 /nfs/dbraw/zinc/09/97/06/741099706.db2.gz DFYSUMFYORFEFC-LBPRGKRZSA-N 0 1 365.231 2.755 20 10 FFCDMN C[C@@H](OCC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nccn1C ZINC000807841262 741163331 /nfs/dbraw/zinc/16/33/31/741163331.db2.gz WKSJCDJFCZLHLX-SECBINFHSA-N 0 1 358.225 2.827 20 10 FFCDMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000808079366 741183967 /nfs/dbraw/zinc/18/39/67/741183967.db2.gz BNXNPMJAWPBGJA-UHFFFAOYSA-N 0 1 367.858 2.681 20 10 FFCDMN Oc1c(Cl)cc(Cl)cc1CNc1nccc(N2CCOCC2)n1 ZINC000808089123 741184961 /nfs/dbraw/zinc/18/49/61/741184961.db2.gz HTPRIFTUXKKFLF-UHFFFAOYSA-N 0 1 355.225 2.938 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1sccc1-n1cnnn1 ZINC000813684968 741748868 /nfs/dbraw/zinc/74/88/68/741748868.db2.gz ZFKOBIHFKNVKOE-UHFFFAOYSA-N 0 1 370.221 2.666 20 10 FFCDMN O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816556259 742041660 /nfs/dbraw/zinc/04/16/60/742041660.db2.gz DQTYLKXVVZUQJA-UHFFFAOYSA-N 0 1 360.479 2.592 20 10 FFCDMN Cn1c(=O)oc2cc(C[NH2+]Cc3cc(Br)ccc3[O-])ccc21 ZINC000816608598 742046750 /nfs/dbraw/zinc/04/67/50/742046750.db2.gz DLIHMBZABHVRIL-UHFFFAOYSA-N 0 1 363.211 2.889 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631654 742287140 /nfs/dbraw/zinc/28/71/40/742287140.db2.gz MGKSQKYITPCVAD-NOZJJQNGSA-N 0 1 358.232 2.848 20 10 FFCDMN CCCN(Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824521070 743099278 /nfs/dbraw/zinc/09/92/78/743099278.db2.gz BKJUSTYFGKRKKJ-ZDUSSCGKSA-N 0 1 362.289 2.554 20 10 FFCDMN CCOC1CC(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])(N2CCOCC2)C1 ZINC000825710116 743315713 /nfs/dbraw/zinc/31/57/13/743315713.db2.gz GRITUGSIEOYWRY-UHFFFAOYSA-N 0 1 368.905 2.714 20 10 FFCDMN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000826903338 743467308 /nfs/dbraw/zinc/46/73/08/743467308.db2.gz PJTMENVVURKSIF-KCPJHIHWSA-N 0 1 358.276 2.810 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000830818814 745435843 /nfs/dbraw/zinc/43/58/43/745435843.db2.gz VTIZRWZPGRHWDD-MJEQTWJJSA-N 0 1 353.846 2.610 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000830818814 745435845 /nfs/dbraw/zinc/43/58/45/745435845.db2.gz VTIZRWZPGRHWDD-MJEQTWJJSA-N 0 1 353.846 2.610 20 10 FFCDMN C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834883393 745918819 /nfs/dbraw/zinc/91/88/19/745918819.db2.gz KMCJRCHJZPPDHB-MRVPVSSYSA-N 0 1 355.192 2.647 20 10 FFCDMN CO[C@H]1COCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836576963 746259851 /nfs/dbraw/zinc/25/98/51/746259851.db2.gz ZCMQJAVOQFBECL-ZANVPECISA-N 0 1 363.241 2.550 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947804 747238136 /nfs/dbraw/zinc/23/81/36/747238136.db2.gz GPTLPESZIVINQK-DOMZBBRYSA-N 0 1 360.907 2.552 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000840970218 747246100 /nfs/dbraw/zinc/24/61/00/747246100.db2.gz OPEUQDXVDRGZPN-KRWDZBQOSA-N 0 1 350.415 2.946 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@@H]2C2CCC2)cc1 ZINC000842170948 747538727 /nfs/dbraw/zinc/53/87/27/747538727.db2.gz OXOYRMMUPIRWON-LJQANCHMSA-N 0 1 361.555 2.929 20 10 FFCDMN COc1cc(Br)cc([C@H](C)NCc2cc(C(N)=O)co2)c1O ZINC000848546564 748955785 /nfs/dbraw/zinc/95/57/85/748955785.db2.gz BLMZIBRWGMBIDE-QMMMGPOBSA-N 0 1 369.215 2.706 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850510157 749378108 /nfs/dbraw/zinc/37/81/08/749378108.db2.gz VPIBELGKIOBTAJ-ZBFHGGJFSA-N 0 1 363.376 2.620 20 10 FFCDMN C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 ZINC000852476516 749871561 /nfs/dbraw/zinc/87/15/61/749871561.db2.gz IXRKYCPRNBWPMF-HQJQHLMTSA-N 0 1 356.213 2.796 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)CSC)cc2F)CC1 ZINC000066773890 845481863 /nfs/dbraw/zinc/48/18/63/845481863.db2.gz RZVQFVOLVUNTCC-CQSZACIVSA-N 0 1 353.507 2.583 20 10 FFCDMN COCCCN1CC[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275837776 1013060550 /nfs/dbraw/zinc/06/05/50/1013060550.db2.gz MWYRCCCNKDRMRL-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN COCCCN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1=O ZINC001275837776 1013060567 /nfs/dbraw/zinc/06/05/67/1013060567.db2.gz MWYRCCCNKDRMRL-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1=O ZINC001275892571 1013147589 /nfs/dbraw/zinc/14/75/89/1013147589.db2.gz FLLOFEVOROXPGI-CYBMUJFWSA-N 0 1 364.873 2.838 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2C)C1 ZINC000683442470 960689329 /nfs/dbraw/zinc/68/93/29/960689329.db2.gz AARQOVRVVCHUQR-UHFFFAOYSA-N 0 1 351.454 2.780 20 10 FFCDMN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275952599 1013222145 /nfs/dbraw/zinc/22/21/45/1013222145.db2.gz YVWVTJKSLYFLPH-CWTRNNRKSA-N 0 1 366.408 2.810 20 10 FFCDMN COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956707 1013228052 /nfs/dbraw/zinc/22/80/52/1013228052.db2.gz LAXWILZEHWFVKQ-IBGZPJMESA-N 0 1 368.424 2.664 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cccc2F)N1Cc1ccncc1 ZINC001276037056 1013300608 /nfs/dbraw/zinc/30/06/08/1013300608.db2.gz DZBWRLBBXFNDDS-QZTJIDSGSA-N 0 1 355.413 2.692 20 10 FFCDMN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)c3ccccc32)N(C)C)cc1 ZINC000891246735 962565913 /nfs/dbraw/zinc/56/59/13/962565913.db2.gz CMORWTQESWIFIQ-UXHICEINSA-N 0 1 365.477 2.842 20 10 FFCDMN CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000891255413 962622163 /nfs/dbraw/zinc/62/21/63/962622163.db2.gz OPNFWIGJHKCYMJ-HXUWFJFHSA-N 0 1 353.466 2.988 20 10 FFCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc4nc[nH]c43)cc2)CC1 ZINC001167423155 963012746 /nfs/dbraw/zinc/01/27/46/963012746.db2.gz PDBWYWJBDWEFDF-UHFFFAOYSA-N 0 1 356.861 2.975 20 10 FFCDMN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c(O)c1OC ZINC000891466706 964355901 /nfs/dbraw/zinc/35/59/01/964355901.db2.gz STOLTWOAXRLDRY-UHFFFAOYSA-N 0 1 359.422 2.985 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccoc3C)CC2)cc1 ZINC000024088946 965841616 /nfs/dbraw/zinc/84/16/16/965841616.db2.gz URPXEABBSSXESR-UHFFFAOYSA-N 0 1 357.454 2.539 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000024088620 965842665 /nfs/dbraw/zinc/84/26/65/965842665.db2.gz KEOWJBJDWQSONC-GOSISDBHSA-N 0 1 357.498 2.680 20 10 FFCDMN COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)cc1C ZINC000179433258 968764379 /nfs/dbraw/zinc/76/43/79/968764379.db2.gz GFMXLPCPKMAMBW-UHFFFAOYSA-N 0 1 357.410 2.940 20 10 FFCDMN CCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000728697577 970365027 /nfs/dbraw/zinc/36/50/27/970365027.db2.gz SISNGNMRLTZPTQ-FOWTUZBSSA-N 0 1 352.390 2.945 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)c1ccccc1 ZINC000122628711 970547764 /nfs/dbraw/zinc/54/77/64/970547764.db2.gz JECJZLHIUGPEQH-HKUYNNGSSA-N 0 1 374.868 2.860 20 10 FFCDMN CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])Cc3cccnc3N2C1 ZINC000895439579 970618001 /nfs/dbraw/zinc/61/80/01/970618001.db2.gz DHQJURMKEFNITF-HZPDHXFCSA-N 0 1 361.392 2.675 20 10 FFCDMN C[S@](=O)C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172595 1014498785 /nfs/dbraw/zinc/49/87/85/1014498785.db2.gz ULSFNTZORDEINF-RLWLMLJZSA-N 0 1 372.534 2.857 20 10 FFCDMN CC[C@H]1CCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1 ZINC000126440139 1014527351 /nfs/dbraw/zinc/52/73/51/1014527351.db2.gz JEWNXARLLWIHNS-INIZCTEOSA-N 0 1 362.493 2.909 20 10 FFCDMN CCCC[C@H](CC)CN1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272044874 980615114 /nfs/dbraw/zinc/61/51/14/980615114.db2.gz ZIQJVYKFOSVFHR-AWEZNQCLSA-N 0 1 362.470 2.920 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000911218361 982173264 /nfs/dbraw/zinc/17/32/64/982173264.db2.gz QUCQGHAXPUTSLG-UHFFFAOYSA-N 0 1 369.465 2.635 20 10 FFCDMN CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000898330388 982681657 /nfs/dbraw/zinc/68/16/57/982681657.db2.gz UWLMWBUMFWXNCM-CYBMUJFWSA-N 0 1 371.359 2.804 20 10 FFCDMN NC(=O)c1ccc(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000878240219 1014939306 /nfs/dbraw/zinc/93/93/06/1014939306.db2.gz FFVFEDOUIBRGCM-IBGZPJMESA-N 0 1 354.450 2.715 20 10 FFCDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000878292089 1014969888 /nfs/dbraw/zinc/96/98/88/1014969888.db2.gz FWTRYAVYDDNZBO-LIRRHRJNSA-N 0 1 370.522 2.945 20 10 FFCDMN CCN(CC)c1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1F ZINC001596290097 983711344 /nfs/dbraw/zinc/71/13/44/983711344.db2.gz ZXYHYWGMWWDBHV-HNAYVOBHSA-N 0 1 350.434 2.595 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C(\C)C3CC3)CC2)cc1 ZINC000055046042 984316253 /nfs/dbraw/zinc/31/62/53/984316253.db2.gz XDBBJNXNBUXKIF-WUKNDPDISA-N 0 1 357.498 2.680 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCN1CC(C)(C)O ZINC001594534266 986141851 /nfs/dbraw/zinc/14/18/51/986141851.db2.gz JEJJYTQHNHCPHP-CQSZACIVSA-N 0 1 372.465 2.521 20 10 FFCDMN C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC001594534266 986141856 /nfs/dbraw/zinc/14/18/56/986141856.db2.gz JEJJYTQHNHCPHP-CQSZACIVSA-N 0 1 372.465 2.521 20 10 FFCDMN C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC001594534266 986141859 /nfs/dbraw/zinc/14/18/59/986141859.db2.gz JEJJYTQHNHCPHP-CQSZACIVSA-N 0 1 372.465 2.521 20 10 FFCDMN OC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC(F)(F)C1 ZINC001235057317 988342293 /nfs/dbraw/zinc/34/22/93/988342293.db2.gz MBHHIYCCDGKDGF-QMMMGPOBSA-N 0 1 354.166 2.743 20 10 FFCDMN Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCC(=O)N1C1CC1 ZINC000922521301 988668818 /nfs/dbraw/zinc/66/88/18/988668818.db2.gz ZJKSBPNYYWEEIM-KXBFYZLASA-N 0 1 374.872 2.763 20 10 FFCDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(O)c1O)N1CCCC1 ZINC000186757049 989185962 /nfs/dbraw/zinc/18/59/62/989185962.db2.gz CEEPTJPXMZQJQQ-MRXNPFEDSA-N 0 1 356.422 2.673 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)C[C@H](C)O1 ZINC000186913553 989377436 /nfs/dbraw/zinc/37/74/36/989377436.db2.gz TXCNMZDXMKEZAJ-GASCZTMLSA-N 0 1 370.449 2.637 20 10 FFCDMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000763456060 991167207 /nfs/dbraw/zinc/16/72/07/991167207.db2.gz VXMHWFJEWBBVDC-WOJBJXKFSA-N 0 1 373.541 2.991 20 10 FFCDMN CC[N@@H+]1CCN(Cc2cccc(I)c2[O-])C[C@H]1C ZINC001237789908 992721602 /nfs/dbraw/zinc/72/16/02/992721602.db2.gz WIPNKWMDZORRQC-LLVKDONJSA-N 0 1 360.239 2.523 20 10 FFCDMN CC[N@H+]1CCN(Cc2cccc(I)c2[O-])C[C@H]1C ZINC001237789908 992721607 /nfs/dbraw/zinc/72/16/07/992721607.db2.gz WIPNKWMDZORRQC-LLVKDONJSA-N 0 1 360.239 2.523 20 10 FFCDMN COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000747533207 994305200 /nfs/dbraw/zinc/30/52/00/994305200.db2.gz QBEDMQUORLRVQS-UHFFFAOYSA-N 0 1 358.438 2.843 20 10 FFCDMN COC(=O)c1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000747533207 994305208 /nfs/dbraw/zinc/30/52/08/994305208.db2.gz QBEDMQUORLRVQS-UHFFFAOYSA-N 0 1 358.438 2.843 20 10 FFCDMN COc1ccc(F)cc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000812756962 995528515 /nfs/dbraw/zinc/52/85/15/995528515.db2.gz HSEJVKWYGVCEJS-INIZCTEOSA-N 0 1 371.456 2.826 20 10 FFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2Cc3ccccc3C2)c1 ZINC000729984675 996771084 /nfs/dbraw/zinc/77/10/84/996771084.db2.gz RBTUGBVCIIELGV-UHFFFAOYSA-N 0 1 366.461 2.943 20 10 FFCDMN CC[C@H]1CN(CC)CCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681726 997050046 /nfs/dbraw/zinc/05/00/46/997050046.db2.gz OLCXQIYDRJLXKO-MSOLQXFVSA-N 0 1 374.529 2.647 20 10 FFCDMN COc1ccc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C(=O)[O-])cc1O ZINC001599532554 997683365 /nfs/dbraw/zinc/68/33/65/997683365.db2.gz RKGWLCHKXFGTSI-QGZVFWFLSA-N 0 1 366.364 2.661 20 10 FFCDMN Oc1cc(F)c(Br)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001144306556 998300945 /nfs/dbraw/zinc/30/09/45/998300945.db2.gz GVIMEPRRASWBAO-UHFFFAOYSA-N 0 1 352.150 2.904 20 10 FFCDMN CC(C)C(=O)N1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144307654 998304023 /nfs/dbraw/zinc/30/40/23/998304023.db2.gz DTGCORHDRIEWPJ-UHFFFAOYSA-N 0 1 359.239 2.594 20 10 FFCDMN CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001144504211 998611939 /nfs/dbraw/zinc/61/19/39/998611939.db2.gz NTJZINKMJMWGLS-AWEZNQCLSA-N 0 1 373.453 2.546 20 10 FFCDMN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732800103 998778500 /nfs/dbraw/zinc/77/85/00/998778500.db2.gz 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/nfs/dbraw/zinc/26/89/31/1061268931.db2.gz GKNLUGMVSFYSAU-KRWDZBQOSA-N 0 1 356.470 2.721 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCCCOC3CCCC3)cc2)CC1 ZINC001477667751 1061766811 /nfs/dbraw/zinc/76/68/11/1061766811.db2.gz ZEUSNASGCHFDGX-UHFFFAOYSA-N 0 1 374.529 2.587 20 10 FFCDMN CN(c1ccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C)cc1)C1CCCCC1 ZINC001464534379 1062670845 /nfs/dbraw/zinc/67/08/45/1062670845.db2.gz ARHATTHWMOHKSI-FPOVZHCZSA-N 0 1 359.514 2.527 20 10 FFCDMN C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1F ZINC001533683887 1063373526 /nfs/dbraw/zinc/37/35/26/1063373526.db2.gz LZGZDKFWMXHFOP-MRXNPFEDSA-N 0 1 355.457 2.997 20 10 FFCDMN CSCc1n[nH]c(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001471370539 1064656439 /nfs/dbraw/zinc/65/64/39/1064656439.db2.gz VTKXLRAGPZLOIQ-UHFFFAOYSA-N 0 1 374.514 2.610 20 10 FFCDMN CSCc1nnc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001471370539 1064656444 /nfs/dbraw/zinc/65/64/44/1064656444.db2.gz VTKXLRAGPZLOIQ-UHFFFAOYSA-N 0 1 374.514 2.610 20 10 FFCDMN C[C@@H](NC(=O)[C@H](N)[C@H](C)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001576220594 1078207702 /nfs/dbraw/zinc/20/77/02/1078207702.db2.gz LCEBULMTAWSJHK-GQIGUUNPSA-N 0 1 355.482 2.862 20 10 FFCDMN Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(F)c(F)c1O ZINC001474607990 1065561303 /nfs/dbraw/zinc/56/13/03/1065561303.db2.gz YAYFGDUCHSBQSY-UHFFFAOYSA-N 0 1 356.394 2.841 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2c[nH]nn2)c2ccccc2)c1 ZINC001577072822 1078300318 /nfs/dbraw/zinc/30/03/18/1078300318.db2.gz PHCZJGRWLLRVMX-KZULUSFZSA-N 0 1 367.409 2.669 20 10 FFCDMN COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1c([O-])cccc1Br ZINC001560593453 1076282819 /nfs/dbraw/zinc/28/28/19/1076282819.db2.gz DKTQLTVCDLQSQN-LBPRGKRZSA-N 0 1 374.275 2.660 20 10 FFCDMN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693472 1076291701 /nfs/dbraw/zinc/29/17/01/1076291701.db2.gz JDZKQBNGXPGGHP-IUCAKERBSA-N 0 1 361.667 2.894 20 10 FFCDMN CCCNC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2O)c2ccccc2O1 ZINC001560775907 1076298860 /nfs/dbraw/zinc/29/88/60/1076298860.db2.gz VZYJTALZIBUDMV-MRXNPFEDSA-N 0 1 362.376 2.964 20 10 FFCDMN COC1CN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000839131228 746783026 /nfs/dbraw/zinc/78/30/26/746783026.db2.gz PWRVRTAYMQAIAV-UHFFFAOYSA-N 0 1 351.038 2.748 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@@H]2CCOC2)C1 ZINC000410237528 512228563 /nfs/dbraw/zinc/22/85/63/512228563.db2.gz PUUBSDVXDHTEJF-IAGOWNOFSA-N 0 1 369.509 2.949 20 10 FFCDMN O=C([C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCOCC1 ZINC000025473265 507503887 /nfs/dbraw/zinc/50/38/87/507503887.db2.gz MBXNJQMSNVOWJD-KRWDZBQOSA-N 0 1 354.450 2.616 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCOCC1 ZINC000025473265 507503889 /nfs/dbraw/zinc/50/38/89/507503889.db2.gz MBXNJQMSNVOWJD-KRWDZBQOSA-N 0 1 354.450 2.616 20 10 FFCDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093413893 508144738 /nfs/dbraw/zinc/14/47/38/508144738.db2.gz IDZGCNPGBBAXNH-JTQLQIEISA-N 0 1 364.851 2.599 20 10 FFCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093413893 508144740 /nfs/dbraw/zinc/14/47/40/508144740.db2.gz IDZGCNPGBBAXNH-JTQLQIEISA-N 0 1 364.851 2.599 20 10 FFCDMN O=C(CC[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134258814 508514276 /nfs/dbraw/zinc/51/42/76/508514276.db2.gz XYZNVGNGSPXKAG-RHSMWYFYSA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(CC1CCOCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269353 508515112 /nfs/dbraw/zinc/51/51/12/508515112.db2.gz ODYYNZKXPQWAAK-KRWDZBQOSA-N 0 1 366.889 2.943 20 10 FFCDMN COCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158051048 508649618 /nfs/dbraw/zinc/64/96/18/508649618.db2.gz KBYCMNNGBALSIU-INIZCTEOSA-N 0 1 354.878 2.943 20 10 FFCDMN Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]n1 ZINC000121174667 509144809 /nfs/dbraw/zinc/14/48/09/509144809.db2.gz QVVRJZSLSUHFDV-CYBMUJFWSA-N 0 1 364.396 2.647 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186054480 509500701 /nfs/dbraw/zinc/50/07/01/509500701.db2.gz SLZFGFTWZJLSAE-FZKQIMNGSA-N 0 1 350.422 2.735 20 10 FFCDMN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000186100442 509522526 /nfs/dbraw/zinc/52/25/26/509522526.db2.gz PZUXBTPZKVUQPI-NSHDSACASA-N 0 1 358.891 2.653 20 10 FFCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000179953820 509686214 /nfs/dbraw/zinc/68/62/14/509686214.db2.gz SZBXXPYMKDWNHQ-QMMMGPOBSA-N 0 1 365.065 2.731 20 10 FFCDMN COc1cc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000183701503 509934627 /nfs/dbraw/zinc/93/46/27/509934627.db2.gz WUTJEQICAFFMNI-SFHVURJKSA-N 0 1 372.465 2.568 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2F)CC1 ZINC000190981993 510448408 /nfs/dbraw/zinc/44/84/08/510448408.db2.gz BDDLLDGLRHFLLK-UHFFFAOYSA-N 0 1 374.508 2.604 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000275358769 510883486 /nfs/dbraw/zinc/88/34/86/510883486.db2.gz VYEYEVMYOCSPKW-LPHOPBHVSA-N 0 1 361.417 2.704 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3nnc(C4CC4)o3)CC2)cc1 ZINC000276326741 510933111 /nfs/dbraw/zinc/93/31/11/510933111.db2.gz UXANYJMVODYTCC-UHFFFAOYSA-N 0 1 357.458 2.580 20 10 FFCDMN CCS(=O)(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000289188038 511094956 /nfs/dbraw/zinc/09/49/56/511094956.db2.gz BDNQBKRZUCIXKR-UHFFFAOYSA-N 0 1 365.543 2.581 20 10 FFCDMN COc1cccc(C2(NCC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000299123837 511523664 /nfs/dbraw/zinc/52/36/64/511523664.db2.gz VVOGPPRDKNPKFL-UHFFFAOYSA-N 0 1 353.466 2.656 20 10 FFCDMN CCn1nc(C)c(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295814917 511523815 /nfs/dbraw/zinc/52/38/15/511523815.db2.gz UHBGWFAFRUWGEU-CQSZACIVSA-N 0 1 365.428 2.966 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000317817312 511804994 /nfs/dbraw/zinc/80/49/94/511804994.db2.gz NTNLJECAOSVDDR-CQSZACIVSA-N 0 1 366.259 2.511 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680468 512613142 /nfs/dbraw/zinc/61/31/42/512613142.db2.gz AJLFQXZEOUZIAB-UONOGXRCSA-N 0 1 350.415 2.948 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnn2)C1 ZINC000568779561 519210460 /nfs/dbraw/zinc/21/04/60/519210460.db2.gz PNVIDSXZLJKAPS-UHFFFAOYSA-N 0 1 363.465 2.861 20 10 FFCDMN CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736344400 599704821 /nfs/dbraw/zinc/70/48/21/599704821.db2.gz BLMYQNUPJWHCLO-HNNXBMFYSA-N 0 1 370.449 2.980 20 10 FFCDMN C[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccccc1O ZINC000737399146 600143018 /nfs/dbraw/zinc/14/30/18/600143018.db2.gz CULRSMIHOCJOOQ-UHFFFAOYSA-N 0 1 360.435 2.711 20 10 FFCDMN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccccc1O ZINC000737399146 600143021 /nfs/dbraw/zinc/14/30/21/600143021.db2.gz CULRSMIHOCJOOQ-UHFFFAOYSA-N 0 1 360.435 2.711 20 10 FFCDMN O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O ZINC000739784462 600144666 /nfs/dbraw/zinc/14/46/66/600144666.db2.gz CWIVGLUSRROMCE-UHFFFAOYSA-N 0 1 362.813 2.961 20 10 FFCDMN O=C([O-])C[N@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739793607 600315948 /nfs/dbraw/zinc/31/59/48/600315948.db2.gz IDZRFTGKCLLQBB-XMMPIXPASA-N 0 1 367.854 2.740 20 10 FFCDMN CC(C)C(=O)N1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736344818 600422345 /nfs/dbraw/zinc/42/23/45/600422345.db2.gz HFCHISTWIHLRRQ-UHFFFAOYSA-N 0 1 370.449 2.934 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000740099478 600427070 /nfs/dbraw/zinc/42/70/70/600427070.db2.gz ZHMJZVIKKXFLEU-CQSZACIVSA-N 0 1 357.406 2.829 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000833695603 605041642 /nfs/dbraw/zinc/04/16/42/605041642.db2.gz TUTZRKRSLXJNNF-IBGZPJMESA-N 0 1 358.413 2.920 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896913 605912982 /nfs/dbraw/zinc/91/29/82/605912982.db2.gz ATSVUQQBRWXKHK-ZWNOBZJWSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896913 605912983 /nfs/dbraw/zinc/91/29/83/605912983.db2.gz ATSVUQQBRWXKHK-ZWNOBZJWSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898468 605914315 /nfs/dbraw/zinc/91/43/15/605914315.db2.gz UPXSPHKXQKDKOB-WDEREUQCSA-N 0 1 357.248 2.941 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898468 605914317 /nfs/dbraw/zinc/91/43/17/605914317.db2.gz UPXSPHKXQKDKOB-WDEREUQCSA-N 0 1 357.248 2.941 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1[O-] ZINC000824009893 608468386 /nfs/dbraw/zinc/46/83/86/608468386.db2.gz DZOFJKCCEYZQEJ-JTQLQIEISA-N 0 1 355.373 2.765 20 10 FFCDMN CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000153974897 728793139 /nfs/dbraw/zinc/79/31/39/728793139.db2.gz IMEUMDYNEWGKFS-LBPRGKRZSA-N 0 1 357.794 2.664 20 10 FFCDMN CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000153974897 728793141 /nfs/dbraw/zinc/79/31/41/728793141.db2.gz IMEUMDYNEWGKFS-LBPRGKRZSA-N 0 1 357.794 2.664 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3cccc4c3OCC4)SC2=S)CC1 ZINC000899261118 735467577 /nfs/dbraw/zinc/46/75/77/735467577.db2.gz ZYJGGUDNSQLEDI-RVDMUPIBSA-N 0 1 360.504 2.917 20 10 FFCDMN CCOc1ccnc(N2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000091959458 728463889 /nfs/dbraw/zinc/46/38/89/728463889.db2.gz KKPVVHVHXATZOS-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN CCOc1ccnc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000091959458 728463891 /nfs/dbraw/zinc/46/38/91/728463891.db2.gz KKPVVHVHXATZOS-UHFFFAOYSA-N 0 1 362.861 2.947 20 10 FFCDMN COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000186421554 729364687 /nfs/dbraw/zinc/36/46/87/729364687.db2.gz ATOYJIIPBSGLBW-NSHDSACASA-N 0 1 352.406 2.690 20 10 FFCDMN Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000192733076 729457515 /nfs/dbraw/zinc/45/75/15/729457515.db2.gz ADAIWOZTBOWODI-UHFFFAOYSA-N 0 1 371.447 2.986 20 10 FFCDMN CN(C)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000192886211 729462259 /nfs/dbraw/zinc/46/22/59/729462259.db2.gz FDIIEVRHWBRTSA-UHFFFAOYSA-N 0 1 362.348 2.788 20 10 FFCDMN C[C@@H](NCc1c(O)cccc1Br)C(=O)NCc1ccco1 ZINC000858133069 730417459 /nfs/dbraw/zinc/41/74/59/730417459.db2.gz JEJQTJQFDUAEQN-SNVBAGLBSA-N 0 1 353.216 2.542 20 10 FFCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NCc1ccco1 ZINC000858133069 730417460 /nfs/dbraw/zinc/41/74/60/730417460.db2.gz JEJQTJQFDUAEQN-SNVBAGLBSA-N 0 1 353.216 2.542 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@@]12CCCO2 ZINC000858156513 730418111 /nfs/dbraw/zinc/41/81/11/730418111.db2.gz JPHYLVQDMLKNJE-OAGGEKHMSA-N 0 1 356.260 2.971 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC000858165738 730418476 /nfs/dbraw/zinc/41/84/76/730418476.db2.gz YWMKINGKXOXFMT-JGGQBBKZSA-N 0 1 367.287 2.891 20 10 FFCDMN COC(=O)C1=CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858732650 730432418 /nfs/dbraw/zinc/43/24/18/730432418.db2.gz RXVJPJYDMWUYQR-NSHDSACASA-N 0 1 359.209 2.760 20 10 FFCDMN COC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862244920 730681085 /nfs/dbraw/zinc/68/10/85/730681085.db2.gz HBVPWYYVVGVSJE-LBPRGKRZSA-N 0 1 354.244 2.930 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(F)CCOCC1 ZINC000866763910 731096846 /nfs/dbraw/zinc/09/68/46/731096846.db2.gz JMAUPBVIZKUZGK-OAHLLOKOSA-N 0 1 370.852 2.645 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000868911852 731343926 /nfs/dbraw/zinc/34/39/26/731343926.db2.gz SJEHDNGGQXJOQW-LXPNIQKUSA-N 0 1 357.237 2.922 20 10 FFCDMN O=C(NCCC[C@@H]1CCOC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000873170756 731884171 /nfs/dbraw/zinc/88/41/71/731884171.db2.gz ZMPLXGQIDHBBNI-SECBINFHSA-N 0 1 361.225 2.842 20 10 FFCDMN CCn1ncnc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071145 732321450 /nfs/dbraw/zinc/32/14/50/732321450.db2.gz FNNGCRRMKXKUFT-ZDUSSCGKSA-N 0 1 351.401 2.658 20 10 FFCDMN COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877409142 732358706 /nfs/dbraw/zinc/35/87/06/732358706.db2.gz YNZVVYAQYORTPC-UHFFFAOYSA-N 0 1 351.349 2.854 20 10 FFCDMN Cn1nccc1[C@H](NCc1ccc(F)c(F)c1O)C(=O)OC(C)(C)C ZINC000877607785 732397889 /nfs/dbraw/zinc/39/78/89/732397889.db2.gz LPMHVMGOJGZDSP-AWEZNQCLSA-N 0 1 353.369 2.577 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693494 732414933 /nfs/dbraw/zinc/41/49/33/732414933.db2.gz INEBRRUBKMXDRH-VHSXEESVSA-N 0 1 354.166 2.757 20 10 FFCDMN OC1CCN(c2ccc(CN3CCO[C@H](C(F)(F)F)CC3)cc2)CC1 ZINC000877823256 732442208 /nfs/dbraw/zinc/44/22/08/732442208.db2.gz WSTBFPQWSDAIIE-KRWDZBQOSA-N 0 1 358.404 2.801 20 10 FFCDMN C[C@H]1COCC[C@@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000882197749 733187579 /nfs/dbraw/zinc/18/75/79/733187579.db2.gz MEBGWOKVUUQTFV-UFBFGSQYSA-N 0 1 354.255 2.543 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(Br)cc1[O-] ZINC000927156837 738698135 /nfs/dbraw/zinc/69/81/35/738698135.db2.gz RYQDZBJYWCNNSX-NZVBXONLSA-N 0 1 356.260 2.735 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCCc3cccs3)cc2)CC1 ZINC000883068149 733327992 /nfs/dbraw/zinc/32/79/92/733327992.db2.gz JRTSEUZWIUGPOE-UHFFFAOYSA-N 0 1 358.511 2.542 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Br)ccc3[O-])O2)CO1 ZINC000886334629 733775122 /nfs/dbraw/zinc/77/51/22/733775122.db2.gz ZCMDSERGCHQWAY-DJSGYFEHSA-N 0 1 356.260 2.971 20 10 FFCDMN C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889665792 734206089 /nfs/dbraw/zinc/20/60/89/734206089.db2.gz XWTZRDRLFGPXTI-ZDUSSCGKSA-N 0 1 358.408 2.579 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000894089464 734799691 /nfs/dbraw/zinc/79/96/91/734799691.db2.gz SXYSUDBHISZGLB-ZIAGYGMSSA-N 0 1 360.223 2.674 20 10 FFCDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894632181 734892014 /nfs/dbraw/zinc/89/20/14/734892014.db2.gz XAKLHTWAOHSMEF-ZUZCIYMTSA-N 0 1 360.223 2.674 20 10 FFCDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894939540 734940293 /nfs/dbraw/zinc/94/02/93/734940293.db2.gz IKGFVTVWGKRNHF-GFCCVEGCSA-N 0 1 374.254 2.529 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc(Br)nn3)cc2)CC1 ZINC000895144617 734968299 /nfs/dbraw/zinc/96/82/99/734968299.db2.gz MTRXFRNWHSOUDE-UHFFFAOYSA-N 0 1 362.275 2.603 20 10 FFCDMN C[C@H]1CN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000895568428 735025064 /nfs/dbraw/zinc/02/50/64/735025064.db2.gz UWOLDAXEXHEIST-RYUDHWBXSA-N 0 1 364.467 2.542 20 10 FFCDMN O=C1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CN1CCOc1ccccc1 ZINC000742373121 735234774 /nfs/dbraw/zinc/23/47/74/735234774.db2.gz OPNIEWOYMPHIGA-CQSZACIVSA-N 0 1 360.841 2.815 20 10 FFCDMN C[C@H](NCc1cnn(CCF)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903273527 736070700 /nfs/dbraw/zinc/07/07/00/736070700.db2.gz AISUOQZFGNLWMO-AWEZNQCLSA-N 0 1 350.413 2.679 20 10 FFCDMN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756365647 736325271 /nfs/dbraw/zinc/32/52/71/736325271.db2.gz YVKQSSBDIZRZGZ-GFCCVEGCSA-N 0 1 365.861 2.951 20 10 FFCDMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1 ZINC000758775209 736519961 /nfs/dbraw/zinc/51/99/61/736519961.db2.gz TWORWPQJWGINEJ-UHFFFAOYSA-N 0 1 363.391 2.572 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000758775636 736520321 /nfs/dbraw/zinc/52/03/21/736520321.db2.gz ZLKMLODHTASUJG-UHFFFAOYSA-N 0 1 350.352 2.612 20 10 FFCDMN CCC[C@H](O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761982987 736779365 /nfs/dbraw/zinc/77/93/65/736779365.db2.gz OTMMUYZECJPHDD-HOTGVXAUSA-N 0 1 354.878 2.677 20 10 FFCDMN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000763558495 736947699 /nfs/dbraw/zinc/94/76/99/736947699.db2.gz JNFWYXCQVSLDGR-XHDPSFHLSA-N 0 1 358.276 2.983 20 10 FFCDMN O=C(C[C@@H]1CCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915980 737476793 /nfs/dbraw/zinc/47/67/93/737476793.db2.gz OOMMOSTVMQWMNO-CVEARBPZSA-N 0 1 352.862 2.695 20 10 FFCDMN CCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)COC1 ZINC000771056689 737689755 /nfs/dbraw/zinc/68/97/55/737689755.db2.gz GNVXMFDOWZBCHA-OAHLLOKOSA-N 0 1 352.862 2.553 20 10 FFCDMN O=C(CCOCC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771056695 737689907 /nfs/dbraw/zinc/68/99/07/737689907.db2.gz GOBYBXMEFOTAPN-QGZVFWFLSA-N 0 1 366.889 2.943 20 10 FFCDMN O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4occc43)cc2)CC1 ZINC000774188478 737967746 /nfs/dbraw/zinc/96/77/46/737967746.db2.gz SKZYPGWTVQDDGN-GOSISDBHSA-N 0 1 360.479 2.682 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000775287854 738078935 /nfs/dbraw/zinc/07/89/35/738078935.db2.gz QXWWARXXLDRQBP-UHFFFAOYSA-N 0 1 361.419 2.858 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1cc(Br)ccc1[O-] ZINC000775503132 738097923 /nfs/dbraw/zinc/09/79/23/738097923.db2.gz BYSHFGOWZBXBBK-DZGCQCFKSA-N 0 1 357.292 2.916 20 10 FFCDMN O=C(c1ccccc1O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775654940 738109472 /nfs/dbraw/zinc/10/94/72/738109472.db2.gz RNTBCMNOPMTZCG-UHFFFAOYSA-N 0 1 364.804 2.848 20 10 FFCDMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775831796 738129985 /nfs/dbraw/zinc/12/99/85/738129985.db2.gz UTKGIIWJXZJVKN-OAHLLOKOSA-N 0 1 362.495 2.886 20 10 FFCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)c1 ZINC000794709305 739922324 /nfs/dbraw/zinc/92/23/24/739922324.db2.gz YIDMBYIEGZGIIT-NTEUORMPSA-N 0 1 373.206 2.919 20 10 FFCDMN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000795338600 740005981 /nfs/dbraw/zinc/00/59/81/740005981.db2.gz CKNQSPKLVOZSPG-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN Cc1nccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Cl ZINC000798389596 740327900 /nfs/dbraw/zinc/32/79/00/740327900.db2.gz ZSFRXWPBPJOWJZ-HNNXBMFYSA-N 0 1 358.873 2.779 20 10 FFCDMN O=C([N-]CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000798956474 740377255 /nfs/dbraw/zinc/37/72/55/740377255.db2.gz ZKDGTFMSCAZXAQ-UHFFFAOYSA-N 0 1 350.768 2.936 20 10 FFCDMN O=C(NCC[NH+]1CCSCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805181102 740947836 /nfs/dbraw/zinc/94/78/36/740947836.db2.gz IAHOZSVYHYUMKG-UHFFFAOYSA-N 0 1 364.298 2.547 20 10 FFCDMN C[C@H](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)[S@](C)=O ZINC000805217550 740950364 /nfs/dbraw/zinc/95/03/64/740950364.db2.gz MQIWIWMQGGLURX-ZEDNOMKYSA-N 0 1 353.271 2.655 20 10 FFCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnnn1C1CC1 ZINC000805343857 740962850 /nfs/dbraw/zinc/96/28/50/740962850.db2.gz HMEHXMCRTAQMBC-ZETCQYMHSA-N 0 1 371.228 2.581 20 10 FFCDMN Cc1nnc(COCC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807835731 741162924 /nfs/dbraw/zinc/16/29/24/741162924.db2.gz KGPNXLUXBRZLBE-UHFFFAOYSA-N 0 1 362.238 2.692 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000809665177 741329946 /nfs/dbraw/zinc/32/99/46/741329946.db2.gz PWMYRAPIRSQPEF-LLVKDONJSA-N 0 1 363.259 2.907 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000809708818 741334645 /nfs/dbraw/zinc/33/46/45/741334645.db2.gz HZXRSNLOOILSME-GJZGRUSLSA-N 0 1 368.861 2.915 20 10 FFCDMN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(Cl)c(F)cc1O ZINC000816591397 742044919 /nfs/dbraw/zinc/04/49/19/742044919.db2.gz CWAZXOIQRYCKAL-OAHLLOKOSA-N 0 1 352.793 2.844 20 10 FFCDMN [O-]c1c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)ccc2ccccc21 ZINC000816608517 742046807 /nfs/dbraw/zinc/04/68/07/742046807.db2.gz BICWVRZPSVYAEC-INIZCTEOSA-N 0 1 354.372 2.898 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000824502271 743093935 /nfs/dbraw/zinc/09/39/35/743093935.db2.gz ZDLVKALAUCJPPB-HNNXBMFYSA-N 0 1 354.219 2.987 20 10 FFCDMN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824677163 743127122 /nfs/dbraw/zinc/12/71/22/743127122.db2.gz AKWXIELFUCCMRW-DGCLKSJQSA-N 0 1 368.421 2.780 20 10 FFCDMN COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1[O-])CC2 ZINC000824817593 743154829 /nfs/dbraw/zinc/15/48/29/743154829.db2.gz CBFSNJCTDGGOTA-CYBMUJFWSA-N 0 1 354.244 2.930 20 10 FFCDMN O=C(N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824829763 743158406 /nfs/dbraw/zinc/15/84/06/743158406.db2.gz QYBZNGHIDHHIIL-ZYHUDNBSSA-N 0 1 362.779 2.888 20 10 FFCDMN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1[O-])CC2 ZINC000824855861 743165302 /nfs/dbraw/zinc/16/53/02/743165302.db2.gz QXQFEEQXIQFLEX-HZPDHXFCSA-N 0 1 370.287 2.907 20 10 FFCDMN COc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825089980 743208250 /nfs/dbraw/zinc/20/82/50/743208250.db2.gz LXLFXOSESSYMGW-INIZCTEOSA-N 0 1 352.228 2.987 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825132250 743216502 /nfs/dbraw/zinc/21/65/02/743216502.db2.gz YYTRRGVXOYBWNK-UHFFFAOYSA-N 0 1 368.886 2.693 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000825138445 743217312 /nfs/dbraw/zinc/21/73/12/743217312.db2.gz MDIPSQHOXLOJLU-AWEZNQCLSA-N 0 1 366.259 2.511 20 10 FFCDMN CN1CCN(c2ccc(CN3CCO[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000827785719 744977126 /nfs/dbraw/zinc/97/71/26/744977126.db2.gz DNFYHYBJNHBPAH-KRWDZBQOSA-N 0 1 357.420 2.592 20 10 FFCDMN CC[N@@H+](CCNC(=O)NC(C)C)Cc1cc(Br)ccc1O ZINC000827965046 745008554 /nfs/dbraw/zinc/00/85/54/745008554.db2.gz NVYSMCLYWAFJHD-UHFFFAOYSA-N 0 1 358.280 2.684 20 10 FFCDMN CC[N@H+](CCNC(=O)NC(C)C)Cc1cc(Br)ccc1[O-] ZINC000827965046 745008557 /nfs/dbraw/zinc/00/85/57/745008557.db2.gz NVYSMCLYWAFJHD-UHFFFAOYSA-N 0 1 358.280 2.684 20 10 FFCDMN CC[N@@H+](CCNC(=O)NC(C)C)Cc1cc(Br)ccc1[O-] ZINC000827965046 745008565 /nfs/dbraw/zinc/00/85/65/745008565.db2.gz NVYSMCLYWAFJHD-UHFFFAOYSA-N 0 1 358.280 2.684 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(CN)c1 ZINC000830798609 745432159 /nfs/dbraw/zinc/43/21/59/745432159.db2.gz QKMUHPYIRDIHAV-UHFFFAOYSA-N 0 1 364.243 2.671 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834850445 745913807 /nfs/dbraw/zinc/91/38/07/745913807.db2.gz MOIOWTSTQJPMJL-OCCSQVGLSA-N 0 1 357.292 2.652 20 10 FFCDMN CCN(C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000835028147 745932691 /nfs/dbraw/zinc/93/26/91/745932691.db2.gz KBPLDXLGYIVVHD-SREVYHEPSA-N 0 1 365.543 2.512 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744262 747446664 /nfs/dbraw/zinc/44/66/64/747446664.db2.gz GOPGIIKMMMIOFG-LBPRGKRZSA-N 0 1 368.886 2.946 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039192 747753723 /nfs/dbraw/zinc/75/37/23/747753723.db2.gz BOSBYUZUKRSTOP-CABZTGNLSA-N 0 1 358.232 2.706 20 10 FFCDMN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237811 748437807 /nfs/dbraw/zinc/43/78/07/748437807.db2.gz KVLMFKLSEDXNLP-CYBMUJFWSA-N 0 1 358.423 2.704 20 10 FFCDMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237811 748437811 /nfs/dbraw/zinc/43/78/11/748437811.db2.gz KVLMFKLSEDXNLP-CYBMUJFWSA-N 0 1 358.423 2.704 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nc(C(=O)[O-])cs1 ZINC000846779081 748542965 /nfs/dbraw/zinc/54/29/65/748542965.db2.gz KORPRJAPNFPEIO-NSHDSACASA-N 0 1 365.430 2.668 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1[O-] ZINC000848562474 748961447 /nfs/dbraw/zinc/96/14/47/748961447.db2.gz DQFLJXXHPHCEHN-AAEUAGOBSA-N 0 1 365.275 2.881 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1[O-] ZINC000848572848 748963659 /nfs/dbraw/zinc/96/36/59/748963659.db2.gz WLQBKBXYNOCZSK-JOYOIKCWSA-N 0 1 355.232 2.789 20 10 FFCDMN CCN(CC)c1ccc(CNCCS(=O)(=O)CC(F)(F)F)cc1F ZINC000850364726 749353545 /nfs/dbraw/zinc/35/35/45/749353545.db2.gz QKMYNXSENXPGPL-UHFFFAOYSA-N 0 1 370.412 2.739 20 10 FFCDMN COc1ccc(N2CC[C@H](N[C@H](c3cccs3)c3nnc[nH]3)C2)cc1 ZINC000850487040 749372076 /nfs/dbraw/zinc/37/20/76/749372076.db2.gz LHLNAMRUSKSOCW-SUMWQHHRSA-N 0 1 355.467 2.833 20 10 FFCDMN C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 ZINC000852476515 749871440 /nfs/dbraw/zinc/87/14/40/749871440.db2.gz IXRKYCPRNBWPMF-CPCISQLKSA-N 0 1 356.213 2.796 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CSC)cc2F)CC1 ZINC000066773888 845481695 /nfs/dbraw/zinc/48/16/95/845481695.db2.gz RZVQFVOLVUNTCC-AWEZNQCLSA-N 0 1 353.507 2.583 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)CSc2nnc(C)[nH]2)cc1F ZINC000074360185 845575514 /nfs/dbraw/zinc/57/55/14/845575514.db2.gz YSQNKYGXBVDLGM-UHFFFAOYSA-N 0 1 351.451 2.507 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)CSc2nc(C)n[nH]2)cc1F ZINC000074360185 845575519 /nfs/dbraw/zinc/57/55/19/845575519.db2.gz YSQNKYGXBVDLGM-UHFFFAOYSA-N 0 1 351.451 2.507 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840327652 971082824 /nfs/dbraw/zinc/08/28/24/971082824.db2.gz BYVIHHIQKNIAJN-CABCVRRESA-N 0 1 357.502 2.954 20 10 FFCDMN COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001275837079 1013058819 /nfs/dbraw/zinc/05/88/19/1013058819.db2.gz BGCMGYFDMSIYTI-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN COCCCN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001275837079 1013058837 /nfs/dbraw/zinc/05/88/37/1013058837.db2.gz BGCMGYFDMSIYTI-SFHVURJKSA-N 0 1 352.862 2.649 20 10 FFCDMN O=C1CO[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CN1C1CCCC1 ZINC001275837518 1013064705 /nfs/dbraw/zinc/06/47/05/1013064705.db2.gz JPIPPUYOUVHUGF-LJQANCHMSA-N 0 1 364.873 2.792 20 10 FFCDMN O=C1CO[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CN1C1CCCC1 ZINC001275837518 1013064715 /nfs/dbraw/zinc/06/47/15/1013064715.db2.gz JPIPPUYOUVHUGF-LJQANCHMSA-N 0 1 364.873 2.792 20 10 FFCDMN CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001603106938 972181671 /nfs/dbraw/zinc/18/16/71/972181671.db2.gz JSGUNOABLPZTHV-NVXWUHKLSA-N 0 1 357.454 2.939 20 10 FFCDMN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001279106896 960398523 /nfs/dbraw/zinc/39/85/23/960398523.db2.gz HFHBJMSVDKZFKV-AGUYFDCRSA-N 0 1 353.413 2.873 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@H](O)C2)C1 ZINC000683501866 960793660 /nfs/dbraw/zinc/79/36/60/960793660.db2.gz ZVUUZNHDGXQEHJ-SJORKVTESA-N 0 1 369.509 2.685 20 10 FFCDMN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275952592 1013222130 /nfs/dbraw/zinc/22/21/30/1013222130.db2.gz YVWVTJKSLYFLPH-BLVKFPJESA-N 0 1 366.408 2.810 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276031233 1013297505 /nfs/dbraw/zinc/29/75/05/1013297505.db2.gz GCOHCKLYEHBMOC-JLTOFOAXSA-N 0 1 362.445 2.713 20 10 FFCDMN CN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276038340 1013350587 /nfs/dbraw/zinc/35/05/87/1013350587.db2.gz URVAICXYUYGLRD-DYESRHJHSA-N 0 1 354.425 2.979 20 10 FFCDMN COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107975 963173560 /nfs/dbraw/zinc/17/35/60/963173560.db2.gz QRUAYNHVBBUMTD-IBGZPJMESA-N 0 1 370.440 2.579 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894753240 965667513 /nfs/dbraw/zinc/66/75/13/965667513.db2.gz RUKOYUBOWXPNJN-CABCVRRESA-N 0 1 370.396 2.540 20 10 FFCDMN Cc1nc(CN2CCN(Cc3c(O)ccc4ccncc43)CC2)oc1C ZINC000728560046 967375006 /nfs/dbraw/zinc/37/50/06/967375006.db2.gz KEYRNSULOKJHNR-UHFFFAOYSA-N 0 1 352.438 2.863 20 10 FFCDMN CCc1nc(CNC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)n[nH]1 ZINC000652372739 975005721 /nfs/dbraw/zinc/00/57/21/975005721.db2.gz JZAVRSYVXUKHCR-UHFFFAOYSA-N 0 1 367.453 2.526 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000178471934 975029627 /nfs/dbraw/zinc/02/96/27/975029627.db2.gz VIBCNLMOKNADQV-MSOLQXFVSA-N 0 1 374.529 2.647 20 10 FFCDMN COC(=O)C1=NO[C@@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000877713858 1014695572 /nfs/dbraw/zinc/69/55/72/1014695572.db2.gz GNRHRTFBTDHCNZ-FQEVSTJZSA-N 0 1 357.454 2.571 20 10 FFCDMN C[C@@H](NC(=O)C1CCC(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000907493788 981257501 /nfs/dbraw/zinc/25/75/01/981257501.db2.gz SSKZVMMUVSYZRJ-PPDQVPDSSA-N 0 1 359.514 2.821 20 10 FFCDMN CN1CCN(c2ccc([C@H]3NC(C)(C)C(=O)N3CC3CCCC3)cc2)CC1 ZINC000877857574 1014750756 /nfs/dbraw/zinc/75/07/56/1014750756.db2.gz VFWPCUGMWXNZQR-FQEVSTJZSA-N 0 1 370.541 2.838 20 10 FFCDMN COc1ccc(CN2Cc3ncccc3N3CCC[C@H]3C2)c(O)c1OC ZINC000898165817 982631999 /nfs/dbraw/zinc/63/19/99/982631999.db2.gz NVLPYEXXFGWFNW-HNNXBMFYSA-N 0 1 355.438 2.789 20 10 FFCDMN C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000878437696 1015044452 /nfs/dbraw/zinc/04/44/52/1015044452.db2.gz QROGGTBQWOOXFI-QEEYODRMSA-N 0 1 368.481 2.790 20 10 FFCDMN COc1ccc([C@H]2C[C@@H]([NH2+]CC(=O)c3ccc([O-])c(O)c3)CCO2)cc1 ZINC001168606366 985788166 /nfs/dbraw/zinc/78/81/66/985788166.db2.gz GEFGPVRHDGLTMP-MGPUTAFESA-N 0 1 357.406 2.799 20 10 FFCDMN Cc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC000878909921 1015279025 /nfs/dbraw/zinc/27/90/25/1015279025.db2.gz YZVIZRCBWMBEGN-UHFFFAOYSA-N 0 1 353.470 2.772 20 10 FFCDMN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000914180480 987345259 /nfs/dbraw/zinc/34/52/59/987345259.db2.gz NVACWPKVGMGFIB-MOPGFXCFSA-N 0 1 374.554 2.666 20 10 FFCDMN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001235296520 988653471 /nfs/dbraw/zinc/65/34/71/988653471.db2.gz JIQGVOACSAJBOB-CQSZACIVSA-N 0 1 350.203 2.980 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000652141764 1015475744 /nfs/dbraw/zinc/47/57/44/1015475744.db2.gz ZGSFCFLCWBIEKT-LBPRGKRZSA-N 0 1 367.453 2.833 20 10 FFCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000879376661 1015504300 /nfs/dbraw/zinc/50/43/00/1015504300.db2.gz IAQCLHFHHRCQHI-CYBMUJFWSA-N 0 1 368.437 2.566 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3cccc4n[nH]cc43)CC2)cc1 ZINC000918663824 990464907 /nfs/dbraw/zinc/46/49/07/990464907.db2.gz FKGFPEQLAMQQQH-UHFFFAOYSA-N 0 1 350.422 2.924 20 10 FFCDMN CN(C)c1cc(F)c(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1F ZINC001598305499 991259515 /nfs/dbraw/zinc/25/95/15/991259515.db2.gz IBFXZAHTNVXEMR-LJQANCHMSA-N 0 1 368.424 2.613 20 10 FFCDMN CC(C)[N@H+](C)[C@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237784245 992717783 /nfs/dbraw/zinc/71/77/83/992717783.db2.gz SRNSIUDWUOWFBP-ZDUSSCGKSA-N 0 1 374.266 2.911 20 10 FFCDMN CC(C)[N@@H+](C)[C@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237784245 992717790 /nfs/dbraw/zinc/71/77/90/992717790.db2.gz SRNSIUDWUOWFBP-ZDUSSCGKSA-N 0 1 374.266 2.911 20 10 FFCDMN COCCC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809741384 994601000 /nfs/dbraw/zinc/60/10/00/994601000.db2.gz STABDEGZKINFSD-UHFFFAOYSA-N 0 1 361.398 2.743 20 10 FFCDMN COCCC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809741384 994601007 /nfs/dbraw/zinc/60/10/07/994601007.db2.gz STABDEGZKINFSD-UHFFFAOYSA-N 0 1 361.398 2.743 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000811512660 995173125 /nfs/dbraw/zinc/17/31/25/995173125.db2.gz IYZXRBRUQRWVQO-MRXNPFEDSA-N 0 1 369.421 2.946 20 10 FFCDMN Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874824 996936203 /nfs/dbraw/zinc/93/62/03/996936203.db2.gz UEVVHJVCKADKIZ-LAUBAEHRSA-N 0 1 368.525 2.767 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000730227885 996993481 /nfs/dbraw/zinc/99/34/81/996993481.db2.gz KAPLCPNVMKTYBQ-QGZVFWFLSA-N 0 1 368.525 2.768 20 10 FFCDMN CCOC(=O)C1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000824849724 997126431 /nfs/dbraw/zinc/12/64/31/997126431.db2.gz HECMEVOUNQSFIH-UHFFFAOYSA-N 0 1 365.470 2.588 20 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360.477 2.565 20 10 FFCDMN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1c(F)ccc(O)c1O ZINC000789952660 1002238176 /nfs/dbraw/zinc/23/81/76/1002238176.db2.gz GHTUMAVSSLBZGX-AWEZNQCLSA-N 0 1 360.341 2.607 20 10 FFCDMN CCCN(CC)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000746940942 1002469963 /nfs/dbraw/zinc/46/99/63/1002469963.db2.gz CVBDQKZHMQZBPA-UHFFFAOYSA-N 0 1 362.518 2.649 20 10 FFCDMN CC/C=C\CCN1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276260146 1016641129 /nfs/dbraw/zinc/64/11/29/1016641129.db2.gz XSEVKQDXBPUIOJ-WAYWQWQTSA-N 0 1 357.498 2.522 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN[C@H](CCCO)c2ccccc2)cc1 ZINC000775461867 1003839071 /nfs/dbraw/zinc/83/90/71/1003839071.db2.gz UAIMZLBOCITTGA-OAQYLSRUSA-N 0 1 369.509 2.814 20 10 FFCDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(O)c(O)c1Cl ZINC001193236965 1004412301 /nfs/dbraw/zinc/41/23/01/1004412301.db2.gz UVYYUWLPTQWIEG-UHFFFAOYSA-N 0 1 358.785 2.509 20 10 FFCDMN Cn1nc(NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccc(Cl)nc21 ZINC001193589067 1004518022 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2.951 20 10 FFCDMN COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C[C@H]3CC(C)C)C2)cc1 ZINC001478957748 1062160580 /nfs/dbraw/zinc/16/05/80/1062160580.db2.gz SDQFOKMBJWLKBJ-IEBWSBKVSA-N 0 1 374.529 2.646 20 10 FFCDMN COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C[C@@H]3CC(C)C)C2)cc1 ZINC001478957749 1062160953 /nfs/dbraw/zinc/16/09/53/1062160953.db2.gz SDQFOKMBJWLKBJ-MJGOQNOKSA-N 0 1 374.529 2.646 20 10 FFCDMN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471565837 1064717331 /nfs/dbraw/zinc/71/73/31/1064717331.db2.gz WJERAAJESCOVBT-XLIONFOSSA-N 0 1 361.530 2.632 20 10 FFCDMN O=Cc1ccc(-c2ccc(C(=O)NCc3cccc(O)c3O)c(O)c2)o1 ZINC001471642094 1064744106 /nfs/dbraw/zinc/74/41/06/1064744106.db2.gz KAIFBVDZSDLIBB-UHFFFAOYSA-N 0 1 353.330 2.806 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510527 1065540983 /nfs/dbraw/zinc/54/09/83/1065540983.db2.gz KPXQGPYAZZUERB-KBPBESRZSA-N 0 1 370.396 2.540 20 10 FFCDMN C[C@H]1[C@H](C)N(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCN1C ZINC001562966262 1074801663 /nfs/dbraw/zinc/80/16/63/1074801663.db2.gz RQYLKAFZUCWVNC-GJZGRUSLSA-N 0 1 364.453 2.953 20 10 FFCDMN C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC001568604260 1077102627 /nfs/dbraw/zinc/10/26/27/1077102627.db2.gz CQRCXSBECPUNSO-AAEUAGOBSA-N 0 1 355.276 2.891 20 10 FFCDMN CC[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000038047245 506434701 /nfs/dbraw/zinc/43/47/01/506434701.db2.gz IZBQPNMMWBBJDP-LBPRGKRZSA-N 0 1 350.278 2.630 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3cccc(O)c3)cc2F)CC1 ZINC000106922438 507829652 /nfs/dbraw/zinc/82/96/52/507829652.db2.gz OOKJNBUJGYITPL-UHFFFAOYSA-N 0 1 371.456 2.532 20 10 FFCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706152 508096349 /nfs/dbraw/zinc/09/63/49/508096349.db2.gz UBNOLJHQFCGQSS-GFCCVEGCSA-N 0 1 369.849 2.938 20 10 FFCDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000157768330 508609373 /nfs/dbraw/zinc/60/93/73/508609373.db2.gz RKTDZBWCDUHMGN-HNNXBMFYSA-N 0 1 371.529 2.980 20 10 FFCDMN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1[O-] ZINC000185449495 509183087 /nfs/dbraw/zinc/18/30/87/509183087.db2.gz MDVGUACTHQLPBJ-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000186100458 509523511 /nfs/dbraw/zinc/52/35/11/509523511.db2.gz PZUXBTPZKVUQPI-LLVKDONJSA-N 0 1 358.891 2.653 20 10 FFCDMN COc1ccc(O)c(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000179675139 509568624 /nfs/dbraw/zinc/56/86/24/509568624.db2.gz LISCEILHROQHHZ-UHFFFAOYSA-N 0 1 358.413 2.888 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183268508 509688423 /nfs/dbraw/zinc/68/84/23/509688423.db2.gz VIVQTONYUVVUAM-UHFFFAOYSA-N 0 1 356.806 2.583 20 10 FFCDMN COc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180453025 509931113 /nfs/dbraw/zinc/93/11/13/509931113.db2.gz UEEDQTPQSICGEH-GXTWGEPZSA-N 0 1 374.300 2.870 20 10 FFCDMN CCCCNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177278604 509976815 /nfs/dbraw/zinc/97/68/15/509976815.db2.gz HQVMMPIGTGHKRK-UHFFFAOYSA-N 0 1 350.434 2.862 20 10 FFCDMN Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777356 510837282 /nfs/dbraw/zinc/83/72/82/510837282.db2.gz NZWNYGSAEZOIRL-MRXNPFEDSA-N 0 1 372.488 2.599 20 10 FFCDMN O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276635720 510943889 /nfs/dbraw/zinc/94/38/89/510943889.db2.gz UFDLQTHIMXHFNR-UHFFFAOYSA-N 0 1 364.442 2.940 20 10 FFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000277036243 510952349 /nfs/dbraw/zinc/95/23/49/510952349.db2.gz GBDUJKIQDXPXCU-UHFFFAOYSA-N 0 1 359.392 2.558 20 10 FFCDMN C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113672 511158776 /nfs/dbraw/zinc/15/87/76/511158776.db2.gz CFOVZKPQZPINSN-LBPRGKRZSA-N 0 1 361.392 2.775 20 10 FFCDMN CC(C)c1nc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000298206484 511208538 /nfs/dbraw/zinc/20/85/38/511208538.db2.gz UIRRCTWWLSRQIK-OAHLLOKOSA-N 0 1 373.457 2.525 20 10 FFCDMN COC1CCN(c2ccc(CN3C[C@H](C)O[C@@]4(CCOC4)C3)cc2)CC1 ZINC000295983079 511578204 /nfs/dbraw/zinc/57/82/04/511578204.db2.gz LIUVYXQIYYBUIO-UWJYYQICSA-N 0 1 360.498 2.682 20 10 FFCDMN NC(=O)c1cnccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000302137224 511707394 /nfs/dbraw/zinc/70/73/94/511707394.db2.gz FGJTZUIHNHMKTM-LBPRGKRZSA-N 0 1 362.380 2.863 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1[O-] ZINC000363868496 511818838 /nfs/dbraw/zinc/81/88/38/511818838.db2.gz NJXIMQRITMRWBG-DGCLKSJQSA-N 0 1 365.275 2.818 20 10 FFCDMN O=C(CC[C@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000376612974 512899666 /nfs/dbraw/zinc/89/96/66/512899666.db2.gz XYZNVGNGSPXKAG-WMLDXEAASA-N 0 1 366.889 2.943 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000528654757 516596144 /nfs/dbraw/zinc/59/61/44/516596144.db2.gz XFEWZGBCJMNZNJ-IBGZPJMESA-N 0 1 361.825 2.704 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(C2CC2)c1 ZINC000528862290 516756685 /nfs/dbraw/zinc/75/66/85/516756685.db2.gz MXPLCSZCLBKPJV-INIZCTEOSA-N 0 1 374.872 2.971 20 10 FFCDMN CCO[C@H]1C[C@@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000514708048 517013844 /nfs/dbraw/zinc/01/38/44/517013844.db2.gz LIDMSGZSYDRUJV-PXNSSMCTSA-N 0 1 355.482 2.701 20 10 FFCDMN COc1ccc2ccc(O)c(CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)c2c1 ZINC000530108408 517571941 /nfs/dbraw/zinc/57/19/41/517571941.db2.gz MFNFMUZPCWUZQP-CVEARBPZSA-N 0 1 361.463 2.706 20 10 FFCDMN COc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[nH]n1 ZINC000628627983 523641999 /nfs/dbraw/zinc/64/19/99/523641999.db2.gz LJLSCNDDBDVBEK-UHFFFAOYSA-N 0 1 367.453 2.778 20 10 FFCDMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880437 600219145 /nfs/dbraw/zinc/21/91/45/600219145.db2.gz WXVVRBXMRMWAIU-AUUYWEPGSA-N 0 1 362.470 2.752 20 10 FFCDMN CN(Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821615665 606490551 /nfs/dbraw/zinc/49/05/51/606490551.db2.gz IAIDFFZNZXCIFJ-UHFFFAOYSA-N 0 1 361.352 2.806 20 10 FFCDMN CN(CC[S@@](=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000104944811 728503945 /nfs/dbraw/zinc/50/39/45/728503945.db2.gz TYVCNUBCUCYWCH-VWLOTQADSA-N 0 1 358.507 2.763 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CSC)cc2F)CC1 ZINC000133477825 728727050 /nfs/dbraw/zinc/72/70/50/728727050.db2.gz AWNQFMCEMLUPAH-AWEZNQCLSA-N 0 1 368.522 2.518 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593739 730346537 /nfs/dbraw/zinc/34/65/37/730346537.db2.gz CIXRVDBEKBMTDK-QGZVFWFLSA-N 0 1 351.834 2.561 20 10 FFCDMN CC(C)CN1CCO[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858088138 730416181 /nfs/dbraw/zinc/41/61/81/730416181.db2.gz ROKADSNVEZGKET-CYBMUJFWSA-N 0 1 357.292 2.601 20 10 FFCDMN Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858172110 730418620 /nfs/dbraw/zinc/41/86/20/730418620.db2.gz JZKHOTSXEICQOZ-BDJLRTHQSA-N 0 1 366.259 2.898 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000858602679 730429706 /nfs/dbraw/zinc/42/97/06/730429706.db2.gz GIFZPKFMFCYNFU-IINYFYTJSA-N 0 1 353.260 2.959 20 10 FFCDMN COc1cc(COCC(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000861729125 730637193 /nfs/dbraw/zinc/63/71/93/730637193.db2.gz SWYWIZKLQGCZOE-UHFFFAOYSA-N 0 1 371.220 2.936 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862222315 730677832 /nfs/dbraw/zinc/67/78/32/730677832.db2.gz VBFNPONFDZHSMC-ZDUSSCGKSA-N 0 1 367.287 2.893 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862222315 730677834 /nfs/dbraw/zinc/67/78/34/730677834.db2.gz VBFNPONFDZHSMC-ZDUSSCGKSA-N 0 1 367.287 2.893 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Br)ccc1[O-] ZINC000866413521 731057300 /nfs/dbraw/zinc/05/73/00/731057300.db2.gz SFESRKNCFLBKHO-YPMHNXCESA-N 0 1 357.292 2.651 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)CC1 ZINC000871602361 731649112 /nfs/dbraw/zinc/64/91/12/731649112.db2.gz RDDIVOXJZKIFKM-WJDWOHSUSA-N 0 1 370.503 2.925 20 10 FFCDMN COc1nsc(CNCc2cccc(OC)c2O)c1Br ZINC000877526549 732380887 /nfs/dbraw/zinc/38/08/87/732380887.db2.gz SMGSZVDTQBEQAF-UHFFFAOYSA-N 0 1 359.245 2.918 20 10 FFCDMN COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000877712025 732417293 /nfs/dbraw/zinc/41/72/93/732417293.db2.gz AEGIQESKWUDLHO-OAHLLOKOSA-N 0 1 359.209 2.593 20 10 FFCDMN COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000877712025 732417299 /nfs/dbraw/zinc/41/72/99/732417299.db2.gz AEGIQESKWUDLHO-OAHLLOKOSA-N 0 1 359.209 2.593 20 10 FFCDMN CO[C@H](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000782739715 738753086 /nfs/dbraw/zinc/75/30/86/738753086.db2.gz RQZFHOSVKADWOW-CZUORRHYSA-N 0 1 354.878 2.941 20 10 FFCDMN COc1ccc(N2CCCN(c3nc(Cl)nc4[nH]cnc43)CC2)cc1 ZINC000891933509 734497050 /nfs/dbraw/zinc/49/70/50/734497050.db2.gz IEPRNIOVYKYUMC-UHFFFAOYSA-N 0 1 358.833 2.732 20 10 FFCDMN Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000893608627 734726026 /nfs/dbraw/zinc/72/60/26/734726026.db2.gz XOOGKQIEHQPSMC-BQYQJAHWSA-N 0 1 356.495 2.533 20 10 FFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732799522 734766053 /nfs/dbraw/zinc/76/60/53/734766053.db2.gz URYGSPQFIPTPLV-AWEZNQCLSA-N 0 1 353.344 2.535 20 10 FFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732799522 734766055 /nfs/dbraw/zinc/76/60/55/734766055.db2.gz URYGSPQFIPTPLV-AWEZNQCLSA-N 0 1 353.344 2.535 20 10 FFCDMN CCOC(=O)[C@H](F)C1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894857766 734928614 /nfs/dbraw/zinc/92/86/14/734928614.db2.gz PBQYSUBIYNXDOH-GFCCVEGCSA-N 0 1 364.186 2.627 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000894899721 734933982 /nfs/dbraw/zinc/93/39/82/734933982.db2.gz ACNWBUXBZBJVKJ-GXSJLCMTSA-N 0 1 364.314 2.513 20 10 FFCDMN CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895438583 735006246 /nfs/dbraw/zinc/00/62/46/735006246.db2.gz ZSTQPTZINPSLAU-ZDUSSCGKSA-N 0 1 359.239 2.784 20 10 FFCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895438583 735006249 /nfs/dbraw/zinc/00/62/49/735006249.db2.gz ZSTQPTZINPSLAU-ZDUSSCGKSA-N 0 1 359.239 2.784 20 10 FFCDMN C[C@@H](NCc1cn(C)nc1I)c1ccccc1O ZINC000895460939 735009763 /nfs/dbraw/zinc/00/97/63/735009763.db2.gz WTYRNQLGJLGOKT-SECBINFHSA-N 0 1 357.195 2.581 20 10 FFCDMN O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccccc1F ZINC000753589577 736080344 /nfs/dbraw/zinc/08/03/44/736080344.db2.gz JZGADLKLYIOZCR-HNNXBMFYSA-N 0 1 352.768 2.997 20 10 FFCDMN CN(C)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000753923950 736106933 /nfs/dbraw/zinc/10/69/33/736106933.db2.gz PTJQFERHGWEGKS-UHFFFAOYSA-N 0 1 352.803 2.743 20 10 FFCDMN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551690 736341726 /nfs/dbraw/zinc/34/17/26/736341726.db2.gz WMPKBGGYFRDXBY-RYUDHWBXSA-N 0 1 374.312 2.937 20 10 FFCDMN CC(C)Oc1ccc(N(C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000759934403 736604781 /nfs/dbraw/zinc/60/47/81/736604781.db2.gz UQICCCLCQLIMPY-UHFFFAOYSA-N 0 1 359.451 2.932 20 10 FFCDMN C[C@H]1CCC[N@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766162 737047370 /nfs/dbraw/zinc/04/73/70/737047370.db2.gz YFCWZYOSDGKJPX-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@H]1CCC[N@@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766162 737047375 /nfs/dbraw/zinc/04/73/75/737047375.db2.gz YFCWZYOSDGKJPX-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(Br)c1[O-] ZINC000765974992 737179396 /nfs/dbraw/zinc/17/93/96/737179396.db2.gz DYJXNNGGPOTTGL-UHFFFAOYSA-N 0 1 374.348 2.707 20 10 FFCDMN CN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000768445881 737423205 /nfs/dbraw/zinc/42/32/05/737423205.db2.gz IYWOECXFXIHWQG-HNNXBMFYSA-N 0 1 356.388 2.866 20 10 FFCDMN O=C(C[C@H]1CCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915983 737476804 /nfs/dbraw/zinc/47/68/04/737476804.db2.gz OOMMOSTVMQWMNO-HZPDHXFCSA-N 0 1 352.862 2.695 20 10 FFCDMN O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000769403558 737524809 /nfs/dbraw/zinc/52/48/09/737524809.db2.gz DKEHJUOVRFKSHL-ZDUSSCGKSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000769403558 737524814 /nfs/dbraw/zinc/52/48/14/737524814.db2.gz DKEHJUOVRFKSHL-ZDUSSCGKSA-N 0 1 367.287 2.989 20 10 FFCDMN CN1CCN(c2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2)CC1 ZINC000771514924 737732068 /nfs/dbraw/zinc/73/20/68/737732068.db2.gz WSCGBPYYLYEZPB-VBKFSLOCSA-N 0 1 359.520 2.802 20 10 FFCDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107973 737871955 /nfs/dbraw/zinc/87/19/55/737871955.db2.gz SBXZUDNTUKESQC-YPMHNXCESA-N 0 1 350.356 2.626 20 10 FFCDMN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775682541 738112368 /nfs/dbraw/zinc/11/23/68/738112368.db2.gz YPQDCDQGVJWEBZ-MRXNPFEDSA-N 0 1 355.885 2.787 20 10 FFCDMN CS(=O)(=O)c1cccnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000785571176 738977862 /nfs/dbraw/zinc/97/78/62/738977862.db2.gz GRWZBHDKZXCASL-UHFFFAOYSA-N 0 1 361.250 2.787 20 10 FFCDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cccc(Br)c1O ZINC000788432424 739244278 /nfs/dbraw/zinc/24/42/78/739244278.db2.gz CSIQMLMBWVWQBQ-GXTWGEPZSA-N 0 1 354.244 2.725 20 10 FFCDMN O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789946857 739399062 /nfs/dbraw/zinc/39/90/62/739399062.db2.gz MUPVAQJARBBMAL-GFCCVEGCSA-N 0 1 350.415 2.865 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000790417474 739451389 /nfs/dbraw/zinc/45/13/89/739451389.db2.gz KKKGWSZHKMXJSI-UHFFFAOYSA-N 0 1 358.423 2.645 20 10 FFCDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930630 739515118 /nfs/dbraw/zinc/51/51/18/739515118.db2.gz BETHSBFCZJFEBG-WQGACYEGSA-N 0 1 356.260 2.923 20 10 FFCDMN CN(C)c1ccc(CNCC(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792899793 739716613 /nfs/dbraw/zinc/71/66/13/739716613.db2.gz MLQSFLIYRGCXOV-UHFFFAOYSA-N 0 1 355.360 2.770 20 10 FFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793362548 739773825 /nfs/dbraw/zinc/77/38/25/739773825.db2.gz VQXGDJKCGGRWPP-XJKSGUPXSA-N 0 1 356.806 2.724 20 10 FFCDMN COc1ccc2ccc(O)c(CN3CCC(CS(C)(=O)=O)CC3)c2c1 ZINC000793724476 739808213 /nfs/dbraw/zinc/80/82/13/739808213.db2.gz DGCWQYREWCWZBU-UHFFFAOYSA-N 0 1 363.479 2.811 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc[nH]n3)cc2Cl)C1 ZINC000800570249 740534305 /nfs/dbraw/zinc/53/43/05/740534305.db2.gz IUSPKHNTLKOENA-CYBMUJFWSA-N 0 1 361.877 2.943 20 10 FFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCC2 ZINC000805092245 740937371 /nfs/dbraw/zinc/93/73/71/740937371.db2.gz XXTCZOKOCRXNJT-MRVPVSSYSA-N 0 1 370.240 2.797 20 10 FFCDMN C[C@H](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)[S@@](C)=O ZINC000805217548 740950425 /nfs/dbraw/zinc/95/04/25/740950425.db2.gz MQIWIWMQGGLURX-IJSAXESFSA-N 0 1 353.271 2.655 20 10 FFCDMN Cc1cc(C[C@@H](C)NC(=O)NCc2cc(Br)ccc2O)n[nH]1 ZINC000805218645 740950692 /nfs/dbraw/zinc/95/06/92/740950692.db2.gz IOMJJDFJKKZNCR-SECBINFHSA-N 0 1 367.247 2.617 20 10 FFCDMN C[S@](=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805435985 740971402 /nfs/dbraw/zinc/97/14/02/740971402.db2.gz STJBONGUUKWCGW-QFIPXVFZSA-N 0 1 365.282 2.799 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000806178885 741045637 /nfs/dbraw/zinc/04/56/37/741045637.db2.gz KLSHRNAFQIUCMI-YPMHNXCESA-N 0 1 351.244 2.976 20 10 FFCDMN NC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806351374 741054483 /nfs/dbraw/zinc/05/44/83/741054483.db2.gz BEDFPZGYTQIBOU-UHFFFAOYSA-N 0 1 355.181 2.515 20 10 FFCDMN Cn1ncc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc21 ZINC000807838202 741162952 /nfs/dbraw/zinc/16/29/52/741162952.db2.gz KVFIFPXWJSCJCO-UHFFFAOYSA-N 0 1 351.193 2.911 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000807839524 741163456 /nfs/dbraw/zinc/16/34/56/741163456.db2.gz GUWAPALBOBCVLQ-UHFFFAOYSA-N 0 1 358.137 2.638 20 10 FFCDMN Cn1nnc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000807841077 741163505 /nfs/dbraw/zinc/16/35/05/741163505.db2.gz QYQJSPLQOPETAO-UHFFFAOYSA-N 0 1 351.193 2.911 20 10 FFCDMN CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226751 741399911 /nfs/dbraw/zinc/39/99/11/741399911.db2.gz KNKWTZQVTOGCRY-CYBMUJFWSA-N 0 1 369.405 2.513 20 10 FFCDMN CC[C@H](NCc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000810237872 741400272 /nfs/dbraw/zinc/40/02/72/741400272.db2.gz FRUYYOMSVHLTGL-LBPRGKRZSA-N 0 1 356.348 2.774 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816569874 742043298 /nfs/dbraw/zinc/04/32/98/742043298.db2.gz ZEWNGMSYJUMQGS-UHFFFAOYSA-N 0 1 362.495 2.697 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000817881475 742220439 /nfs/dbraw/zinc/22/04/39/742220439.db2.gz UONFTXXCQGCPKA-ZJUUUORDSA-N 0 1 358.232 2.848 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824576952 743110296 /nfs/dbraw/zinc/11/02/96/743110296.db2.gz WRHLSAFQYWULOE-CYBMUJFWSA-N 0 1 357.248 2.736 20 10 FFCDMN CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825291477 743242948 /nfs/dbraw/zinc/24/29/48/743242948.db2.gz LNUMZAUPQAEOJG-SMDDNHRTSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC000825943888 743346774 /nfs/dbraw/zinc/34/67/74/743346774.db2.gz LRYPYSIBJPTYQP-NUEKZKHPSA-N 0 1 367.287 2.891 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000825943749 743347216 /nfs/dbraw/zinc/34/72/16/743347216.db2.gz JYWLAIICNGBNTL-CZUORRHYSA-N 0 1 350.212 2.739 20 10 FFCDMN COC(=O)c1nc(CNCc2cc(OC)c(OC)cc2O)ccc1Cl ZINC000826980973 743483007 /nfs/dbraw/zinc/48/30/07/743483007.db2.gz DJNMLYHDECRJGT-UHFFFAOYSA-N 0 1 366.801 2.534 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1[O-] ZINC000834850011 745913968 /nfs/dbraw/zinc/91/39/68/745913968.db2.gz IJLCYPHHQPZEBN-TZMCWYRMSA-N 0 1 357.292 2.652 20 10 FFCDMN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000840888438 747213490 /nfs/dbraw/zinc/21/34/90/747213490.db2.gz KGVHTRJJZBIWAZ-JTQLQIEISA-N 0 1 350.278 2.630 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1[O-] ZINC000841754015 747449825 /nfs/dbraw/zinc/44/98/25/747449825.db2.gz OYZHYNWINSOBNE-IUODEOHRSA-N 0 1 362.861 2.621 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC000842882570 747713153 /nfs/dbraw/zinc/71/31/53/747713153.db2.gz HFJNERNJDOYEQF-DGCLKSJQSA-N 0 1 367.854 2.931 20 10 FFCDMN O=C([O-])CC[N@H+](Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000843041810 747754579 /nfs/dbraw/zinc/75/45/79/747754579.db2.gz WHQLHAVTYPLIAE-UHFFFAOYSA-N 0 1 358.232 2.610 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2ncncc2C1 ZINC000843890357 747920994 /nfs/dbraw/zinc/92/09/94/747920994.db2.gz STBDGJKMEAAZDV-VIFPVBQESA-N 0 1 352.221 2.910 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000846067475 748395192 /nfs/dbraw/zinc/39/51/92/748395192.db2.gz GDYLPFTXLOJXQI-LJQANCHMSA-N 0 1 357.523 2.635 20 10 FFCDMN O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846102140 748407602 /nfs/dbraw/zinc/40/76/02/748407602.db2.gz CYTUGARSCFGQPP-ZYLNGJIFSA-N 0 1 352.503 2.955 20 10 FFCDMN COc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c(OC)c1 ZINC000846748491 748537246 /nfs/dbraw/zinc/53/72/46/748537246.db2.gz RQOGSRNBGMHHRP-UHFFFAOYSA-N 0 1 362.392 2.795 20 10 FFCDMN CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1C(C)=O)C1CCCCC1 ZINC000849309344 749096953 /nfs/dbraw/zinc/09/69/53/749096953.db2.gz GJOTZKRSMSDXJK-KRWDZBQOSA-N 0 1 355.456 2.932 20 10 FFCDMN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000850341247 749344551 /nfs/dbraw/zinc/34/45/51/749344551.db2.gz DLKQGQFMTFLQRL-HNNXBMFYSA-N 0 1 365.857 2.764 20 10 FFCDMN COc1cc2c(cc1O)CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000895886931 971038181 /nfs/dbraw/zinc/03/81/81/971038181.db2.gz HVNWZMAGEQINNY-UHFFFAOYSA-N 0 1 368.477 2.920 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275837816 1013060603 /nfs/dbraw/zinc/06/06/03/1013060603.db2.gz NPFWGPKUNCLMBR-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275837816 1013060613 /nfs/dbraw/zinc/06/06/13/1013060613.db2.gz NPFWGPKUNCLMBR-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN C[NH+]1CCN(c2ccc(CNc3cccc(CC(=O)[O-])c3)cc2F)CC1 ZINC001593787275 954719278 /nfs/dbraw/zinc/71/92/78/954719278.db2.gz ZRVLLJXYVNZFEY-UHFFFAOYSA-N 0 1 357.429 2.817 20 10 FFCDMN O=C1CO[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CN1C1CCCC1 ZINC001275892663 1013147697 /nfs/dbraw/zinc/14/76/97/1013147697.db2.gz HZFQINDQSWCCRS-LJQANCHMSA-N 0 1 364.873 2.792 20 10 FFCDMN O=C1CO[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CN1C1CCCC1 ZINC001275892663 1013147698 /nfs/dbraw/zinc/14/76/98/1013147698.db2.gz HZFQINDQSWCCRS-LJQANCHMSA-N 0 1 364.873 2.792 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cccc2F)C1=O ZINC001276038130 1013348958 /nfs/dbraw/zinc/34/89/58/1013348958.db2.gz RRBUWLDWYBDLQT-IBGZPJMESA-N 0 1 350.434 2.523 20 10 FFCDMN CCOC(=O)Cc1ccncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434325 963177998 /nfs/dbraw/zinc/17/79/98/963177998.db2.gz JCOKGYKTYIAKEN-UHFFFAOYSA-N 0 1 368.481 2.551 20 10 FFCDMN CCOC(=O)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)cnc1C ZINC001167434678 963184737 /nfs/dbraw/zinc/18/47/37/963184737.db2.gz ROJBXOBBBIYYAM-UHFFFAOYSA-N 0 1 368.481 2.931 20 10 FFCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(S(C)(=O)=O)c1 ZINC000873152191 1013404949 /nfs/dbraw/zinc/40/49/49/1013404949.db2.gz ZDQVOBOKHYIZPD-UHFFFAOYSA-N 0 1 373.522 2.762 20 10 FFCDMN CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276086484 1013432807 /nfs/dbraw/zinc/43/28/07/1013432807.db2.gz RHHRIGABFDUIFO-XOBRGWDASA-N 0 1 362.445 2.713 20 10 FFCDMN CCNC(=O)NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176679195 966579754 /nfs/dbraw/zinc/57/97/54/966579754.db2.gz QDDQCYVHWRCLKN-OAHLLOKOSA-N 0 1 355.438 2.801 20 10 FFCDMN COC(=O)c1nc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1C ZINC000895143844 967893854 /nfs/dbraw/zinc/89/38/54/967893854.db2.gz CTMHTNPYDBTXQC-UHFFFAOYSA-N 0 1 354.454 2.541 20 10 FFCDMN COc1ccc(O)c([C@H](C)NC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000729536274 968250190 /nfs/dbraw/zinc/25/01/90/968250190.db2.gz YEKSRTUVYSYYSB-NSHDSACASA-N 0 1 353.378 2.849 20 10 FFCDMN CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cc(F)cc(F)c2O)C1 ZINC000895366519 970495037 /nfs/dbraw/zinc/49/50/37/970495037.db2.gz WYFGFNIJGNTLPY-UHFFFAOYSA-N 0 1 365.380 2.721 20 10 FFCDMN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608107 975914014 /nfs/dbraw/zinc/91/40/14/975914014.db2.gz PDWVFHHSZLBOEN-SAPNQHFASA-N 0 1 350.466 2.553 20 10 FFCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1C ZINC000876531705 1014294341 /nfs/dbraw/zinc/29/43/41/1014294341.db2.gz MQGBTKVKVOXTLL-KRWDZBQOSA-N 0 1 358.438 2.699 20 10 FFCDMN CCCC[C@@H](CC)CN1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272044876 980614869 /nfs/dbraw/zinc/61/48/69/980614869.db2.gz ZIQJVYKFOSVFHR-CQSZACIVSA-N 0 1 362.470 2.920 20 10 FFCDMN CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690776 1014684969 /nfs/dbraw/zinc/68/49/69/1014684969.db2.gz HJULJWJMMHBNFN-CABCVRRESA-N 0 1 361.392 2.675 20 10 FFCDMN CN(C(=O)NCCc1ccc(N)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000841955709 982466190 /nfs/dbraw/zinc/46/61/90/982466190.db2.gz KXECDGSGQYBWIO-UHFFFAOYSA-N 0 1 372.435 2.870 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)C(C3CC3)C3CC3)CC2)cc1 ZINC000163952036 984315521 /nfs/dbraw/zinc/31/55/21/984315521.db2.gz JXVLLIIMBCNCHW-UHFFFAOYSA-N 0 1 371.525 2.760 20 10 FFCDMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157827369 984678359 /nfs/dbraw/zinc/67/83/59/984678359.db2.gz XMRRQCDGYRKSJA-FXAWDEMLSA-N 0 1 374.529 2.566 20 10 FFCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C3CCC3)cc2F)C[C@@H](C)O1 ZINC000173919359 986018252 /nfs/dbraw/zinc/01/82/52/986018252.db2.gz XGIRCTUNEXNPSG-HUUCEWRRSA-N 0 1 363.477 2.540 20 10 FFCDMN Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(C)n1-c1ccccn1 ZINC000917188456 990166382 /nfs/dbraw/zinc/16/63/82/990166382.db2.gz ZVUZSFBUCZEKSF-UHFFFAOYSA-N 0 1 359.393 2.922 20 10 FFCDMN CC(=O)c1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000918860639 990513243 /nfs/dbraw/zinc/51/32/43/990513243.db2.gz BAPKTFQLNHNNJG-UHFFFAOYSA-N 0 1 351.450 2.571 20 10 FFCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237784364 992718072 /nfs/dbraw/zinc/71/80/72/992718072.db2.gz USYNIOHAPBZWOY-GXFFZTMASA-N 0 1 359.207 2.608 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000184403792 992734484 /nfs/dbraw/zinc/73/44/84/992734484.db2.gz XEACTBNFZYGYLI-KRWDZBQOSA-N 0 1 368.525 2.850 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3c4cn[nH]c4CC[C@@H]3C)C2)cc1 ZINC000880344202 1015810508 /nfs/dbraw/zinc/81/05/08/1015810508.db2.gz PODMOILIFFNXOM-BXTJHSDWSA-N 0 1 368.481 2.727 20 10 FFCDMN COc1ccc(N2CCCN(Cc3cnnn3-c3ccccc3)CC2)cc1 ZINC000808711703 994228369 /nfs/dbraw/zinc/22/83/69/994228369.db2.gz PPPILIBSAZQJHL-UHFFFAOYSA-N 0 1 363.465 2.988 20 10 FFCDMN CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241209 994741888 /nfs/dbraw/zinc/74/18/88/994741888.db2.gz PAQQTHLRIVJCSP-LBPRGKRZSA-N 0 1 372.347 2.530 20 10 FFCDMN 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CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000179561368 509514157 /nfs/dbraw/zinc/51/41/57/509514157.db2.gz HTOYYXLZAYKWRA-UHFFFAOYSA-N 0 1 369.465 2.689 20 10 FFCDMN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000186102999 509523493 /nfs/dbraw/zinc/52/34/93/509523493.db2.gz SXOUREHBSBWIKH-ZFWWWQNUSA-N 0 1 352.438 2.949 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CNC1(c3cccc(F)c3)CC1)cc2=O ZINC000179688873 509575569 /nfs/dbraw/zinc/57/55/69/509575569.db2.gz SDQWQJLWYJEOQJ-UHFFFAOYSA-N 0 1 370.384 2.530 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000177311913 509992350 /nfs/dbraw/zinc/99/23/50/509992350.db2.gz NYACDWGQOCOFGZ-QGZVFWFLSA-N 0 1 354.454 2.577 20 10 FFCDMN COc1cc(O)c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC000271089540 511079492 /nfs/dbraw/zinc/07/94/92/511079492.db2.gz KJWOLBKSQPBVJA-CQSZACIVSA-N 0 1 366.458 2.851 20 10 FFCDMN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000273592742 511545908 /nfs/dbraw/zinc/54/59/08/511545908.db2.gz POZCJQRUIVJHBQ-OAHLLOKOSA-N 0 1 355.482 2.749 20 10 FFCDMN CCN1CCN(c2ccc(CNc3cc(Cl)nc(N)n3)cc2F)CC1 ZINC000301185779 511689476 /nfs/dbraw/zinc/68/94/76/511689476.db2.gz JVANWBVCIQQTNR-UHFFFAOYSA-N 0 1 364.856 2.605 20 10 FFCDMN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000284363233 511697560 /nfs/dbraw/zinc/69/75/60/511697560.db2.gz NDILICIDNLMAET-WBIUFABUSA-N 0 1 360.292 2.963 20 10 FFCDMN Fc1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)ccc1N1CCOCC1 ZINC000274838046 511957959 /nfs/dbraw/zinc/95/79/59/511957959.db2.gz LFPSIFFAXADWFM-IBGZPJMESA-N 0 1 367.428 2.660 20 10 FFCDMN CC[C@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000274970402 512002341 /nfs/dbraw/zinc/00/23/41/512002341.db2.gz YCPJUSIVDCGTNH-LBPRGKRZSA-N 0 1 351.248 2.933 20 10 FFCDMN COCCCn1nccc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000374932345 513079331 /nfs/dbraw/zinc/07/93/31/513079331.db2.gz TYMBVIAFSUGZEB-UHFFFAOYSA-N 0 1 358.486 2.641 20 10 FFCDMN COCCCn1nccc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000374932345 513079332 /nfs/dbraw/zinc/07/93/32/513079332.db2.gz TYMBVIAFSUGZEB-UHFFFAOYSA-N 0 1 358.486 2.641 20 10 FFCDMN CCO[C@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000514708051 517013909 /nfs/dbraw/zinc/01/39/09/517013909.db2.gz LIDMSGZSYDRUJV-XLIONFOSSA-N 0 1 355.482 2.701 20 10 FFCDMN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000530173365 517608817 /nfs/dbraw/zinc/60/88/17/517608817.db2.gz VGIXGEWYISHHAA-UHFFFAOYSA-N 0 1 370.409 2.554 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2c[nH]cn2)C1 ZINC000616927629 520243040 /nfs/dbraw/zinc/24/30/40/520243040.db2.gz MPWVJKGLFRWENM-UHFFFAOYSA-N 0 1 365.481 2.790 20 10 FFCDMN Cc1nn(C)c2ncc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cc12 ZINC000738918535 600314837 /nfs/dbraw/zinc/31/48/37/600314837.db2.gz OCQCMTMKXRGREM-UHFFFAOYSA-N 0 1 374.828 2.723 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+](C)CC(C)(C)O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859168 601169145 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1 357.248 2.941 20 10 FFCDMN C[S@@](=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154689963 728809935 /nfs/dbraw/zinc/80/99/35/728809935.db2.gz YCQOWDNPXSQDCK-CPJSRVTESA-N 0 1 358.507 2.733 20 10 FFCDMN CC[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000020546826 727832521 /nfs/dbraw/zinc/83/25/21/727832521.db2.gz ZMJXJKXYDCQIAJ-HNNXBMFYSA-N 0 1 357.292 2.918 20 10 FFCDMN CCOC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092456451 728467652 /nfs/dbraw/zinc/46/76/52/728467652.db2.gz XNWVNKIDVGODIX-NSHDSACASA-N 0 1 372.259 2.938 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccc(C)s1)cc2=O ZINC000102773276 728492402 /nfs/dbraw/zinc/49/24/02/728492402.db2.gz RMPNKYYCVJEFKA-UHFFFAOYSA-N 0 1 360.439 2.614 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1 ZINC000120750287 728615004 /nfs/dbraw/zinc/61/50/04/728615004.db2.gz OQIVHWRRTQBQBC-UHFFFAOYSA-N 0 1 357.439 2.549 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270764 729133082 /nfs/dbraw/zinc/13/30/82/729133082.db2.gz FTLSIESTBPTCGZ-ZDUSSCGKSA-N 0 1 352.862 2.986 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270764 729133085 /nfs/dbraw/zinc/13/30/85/729133085.db2.gz FTLSIESTBPTCGZ-ZDUSSCGKSA-N 0 1 352.862 2.986 20 10 FFCDMN Cc1cc(CN2CCN(Cc3cccc(Br)c3O)CC2)no1 ZINC000179737097 729193489 /nfs/dbraw/zinc/19/34/89/729193489.db2.gz SVOVDBLRGIUYCJ-UHFFFAOYSA-N 0 1 366.259 2.769 20 10 FFCDMN CN(C)c1ccc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182317354 729274449 /nfs/dbraw/zinc/27/44/49/729274449.db2.gz OGPSXEAKCYIQRZ-IBGZPJMESA-N 0 1 365.543 2.579 20 10 FFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535299 730345390 /nfs/dbraw/zinc/34/53/90/730345390.db2.gz UUXGCSFCARINOJ-LSDHHAIUSA-N 0 1 363.820 2.535 20 10 FFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535299 730345392 /nfs/dbraw/zinc/34/53/92/730345392.db2.gz UUXGCSFCARINOJ-LSDHHAIUSA-N 0 1 363.820 2.535 20 10 FFCDMN Oc1c(F)cc(Cl)cc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535299 730345395 /nfs/dbraw/zinc/34/53/95/730345395.db2.gz UUXGCSFCARINOJ-LSDHHAIUSA-N 0 1 363.820 2.535 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595182 730346676 /nfs/dbraw/zinc/34/66/76/730346676.db2.gz PSESZXAMRITKGS-QGZVFWFLSA-N 0 1 369.824 2.700 20 10 FFCDMN CCOc1cncc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000856717671 730349477 /nfs/dbraw/zinc/34/94/77/730349477.db2.gz HBFLCQLUXMRYOF-OQLLNIDSSA-N 0 1 363.508 2.776 20 10 FFCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)C(=O)N1CCCC1 ZINC000858292096 730421925 /nfs/dbraw/zinc/42/19/25/730421925.db2.gz AGFLHLYFGOBJPS-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)C1(F)F ZINC000859411613 730453766 /nfs/dbraw/zinc/45/37/66/730453766.db2.gz LNEUCQSFJUFEMI-HUUCEWRRSA-N 0 1 353.457 2.934 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000868356706 731285549 /nfs/dbraw/zinc/28/55/49/731285549.db2.gz DRFWUSANDQIVLM-MNOVXSKESA-N 0 1 374.142 2.662 20 10 FFCDMN CN(C)c1ccc(CN(Cc2cccc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000876570355 732257957 /nfs/dbraw/zinc/25/79/57/732257957.db2.gz AVCZMGSWMYVZEO-UHFFFAOYSA-N 0 1 359.495 2.565 20 10 FFCDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799279 732435104 /nfs/dbraw/zinc/43/51/04/732435104.db2.gz LQKPGPUYBVERCZ-XOKHGSTOSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877799279 732435108 /nfs/dbraw/zinc/43/51/08/732435108.db2.gz LQKPGPUYBVERCZ-XOKHGSTOSA-N 0 1 366.889 2.677 20 10 FFCDMN Cc1nc(C)c(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000878892295 732610236 /nfs/dbraw/zinc/61/02/36/732610236.db2.gz RSFUINGHRPPMKC-UHFFFAOYSA-N 0 1 359.499 2.833 20 10 FFCDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781901901 738669881 /nfs/dbraw/zinc/66/98/81/738669881.db2.gz WBBLUJNLBDLBLG-ZDUSSCGKSA-N 0 1 355.276 2.811 20 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OPNIEWOYMPHIGA-AWEZNQCLSA-N 0 1 360.841 2.815 20 10 FFCDMN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443416 738891777 /nfs/dbraw/zinc/89/17/77/738891777.db2.gz SBGNWDWGGDZFRW-IVMMDQJWSA-N 0 1 352.862 2.551 20 10 FFCDMN CCc1cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000902615763 735969920 /nfs/dbraw/zinc/96/99/20/735969920.db2.gz UNBZRIUUXHLBSP-IYBDPMFKSA-N 0 1 351.512 2.729 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3CC(F)(F)C3)cc2F)CC1 ZINC000753609072 736081973 /nfs/dbraw/zinc/08/19/73/736081973.db2.gz SGQYKALECIEWRV-UHFFFAOYSA-N 0 1 355.404 2.629 20 10 FFCDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cccc(Cl)c2O)cn1 ZINC000754154441 736131313 /nfs/dbraw/zinc/13/13/13/736131313.db2.gz OSLYPKFRUIXRKY-CMJOXMDJSA-N 0 1 353.875 2.568 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000757706582 736421256 /nfs/dbraw/zinc/42/12/56/736421256.db2.gz XBPYDJJKFRUBJI-LBPRGKRZSA-N 0 1 360.907 2.758 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000761497856 736740705 /nfs/dbraw/zinc/74/07/05/736740705.db2.gz BUTGCAODKXLVEZ-UKRRQHHQSA-N 0 1 358.276 2.983 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2=NCCS2)C1 ZINC000766386100 737225428 /nfs/dbraw/zinc/22/54/28/737225428.db2.gz LPZDDXYSYFDAPE-UHFFFAOYSA-N 0 1 356.495 2.627 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769528701 737539221 /nfs/dbraw/zinc/53/92/21/737539221.db2.gz XUBQQEMJJNHGHH-HNNXBMFYSA-N 0 1 356.260 2.925 20 10 FFCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1F ZINC000773253113 737885179 /nfs/dbraw/zinc/88/51/79/737885179.db2.gz XQNRPBRVRWHUKX-UHFFFAOYSA-N 0 1 371.411 2.841 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(SC)cc1 ZINC000775286943 738078534 /nfs/dbraw/zinc/07/85/34/738078534.db2.gz RILMKPBIGSAOKB-UHFFFAOYSA-N 0 1 353.421 2.702 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525185 738099321 /nfs/dbraw/zinc/09/93/21/738099321.db2.gz DSHGVHOXWDIVFT-LSDHHAIUSA-N 0 1 362.861 2.934 20 10 FFCDMN CCn1nccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000775880969 738135514 /nfs/dbraw/zinc/13/55/14/738135514.db2.gz UTPQNWMVEUOEOQ-HNNXBMFYSA-N 0 1 362.861 2.656 20 10 FFCDMN CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000922450844 738147166 /nfs/dbraw/zinc/14/71/66/738147166.db2.gz AGPAFZLVQABVOQ-UHFFFAOYSA-N 0 1 368.886 2.727 20 10 FFCDMN CC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)ccc1[O-] ZINC000775972117 738148643 /nfs/dbraw/zinc/14/86/43/738148643.db2.gz HTTZERQMQRIMPQ-IYBDPMFKSA-N 0 1 369.303 2.840 20 10 FFCDMN CC[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)ccc1[O-] ZINC000775972117 738148647 /nfs/dbraw/zinc/14/86/47/738148647.db2.gz HTTZERQMQRIMPQ-IYBDPMFKSA-N 0 1 369.303 2.840 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1F ZINC000776744520 738228426 /nfs/dbraw/zinc/22/84/26/738228426.db2.gz KODRATJQZWWBCK-UHFFFAOYSA-N 0 1 359.762 2.772 20 10 FFCDMN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000776870505 738240434 /nfs/dbraw/zinc/24/04/34/738240434.db2.gz VHPBQPFWBFPFON-SGIREYDYSA-N 0 1 374.275 2.626 20 10 FFCDMN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cccc(Br)c1[O-] ZINC000789765713 739386085 /nfs/dbraw/zinc/38/60/85/739386085.db2.gz PDETWFDSHMKLGM-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789983359 739402387 /nfs/dbraw/zinc/40/23/87/739402387.db2.gz IZYKXJKRCGYJQM-UHFFFAOYSA-N 0 1 368.386 2.641 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000790411723 739449848 /nfs/dbraw/zinc/44/98/48/739449848.db2.gz OOGHCIFZYYYWLY-UHFFFAOYSA-N 0 1 367.423 2.917 20 10 FFCDMN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000795324723 740003854 /nfs/dbraw/zinc/00/38/54/740003854.db2.gz PESJADRGMXOGGR-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN CCCCS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000935994425 740042211 /nfs/dbraw/zinc/04/22/11/740042211.db2.gz XXMAFHSQRFNQQW-UHFFFAOYSA-N 0 1 354.255 2.530 20 10 FFCDMN CC(=O)N1CCN(c2ccc(CNc3ccnc(C)c3Cl)cc2)CC1 ZINC000798397957 740328300 /nfs/dbraw/zinc/32/83/00/740328300.db2.gz NOLUZDRDTAVOSK-UHFFFAOYSA-N 0 1 358.873 2.746 20 10 FFCDMN Cc1nccnc1N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000799735844 740446305 /nfs/dbraw/zinc/44/63/05/740446305.db2.gz MDCHUSAAKLMRDC-UHFFFAOYSA-N 0 1 363.259 2.575 20 10 FFCDMN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805190567 740948533 /nfs/dbraw/zinc/94/85/33/740948533.db2.gz SFCCKKVAIAOUCT-YDEJPDAXSA-N 0 1 372.252 2.508 20 10 FFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnnn1C1CC1 ZINC000805343856 740962749 /nfs/dbraw/zinc/96/27/49/740962749.db2.gz HMEHXMCRTAQMBC-SSDOTTSWSA-N 0 1 371.228 2.581 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000806179290 741045539 /nfs/dbraw/zinc/04/55/39/741045539.db2.gz QNPUUHSQOJHEPM-YPMHNXCESA-N 0 1 351.244 2.976 20 10 FFCDMN Cc1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807513362 741138239 /nfs/dbraw/zinc/13/82/39/741138239.db2.gz ZHQDFFWSMDRTEH-UHFFFAOYSA-N 0 1 360.222 2.719 20 10 FFCDMN CS(=O)(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000813682620 741748363 /nfs/dbraw/zinc/74/83/63/741748363.db2.gz GYWQHPLLJOFFFC-UHFFFAOYSA-N 0 1 366.266 2.673 20 10 FFCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)S(=O)(=O)C1CC1 ZINC000813685027 741748841 /nfs/dbraw/zinc/74/88/41/741748841.db2.gz AYAIUEYHMNQDOQ-UHFFFAOYSA-N 0 1 366.266 2.671 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822504547 742745603 /nfs/dbraw/zinc/74/56/03/742745603.db2.gz UYGTYUGWPOYCJT-ZDUSSCGKSA-N 0 1 351.248 2.892 20 10 FFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824560915 743105062 /nfs/dbraw/zinc/10/50/62/743105062.db2.gz MLDBXWXKWQMHIU-CQSZACIVSA-N 0 1 367.287 2.893 20 10 FFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824560915 743105069 /nfs/dbraw/zinc/10/50/69/743105069.db2.gz MLDBXWXKWQMHIU-CQSZACIVSA-N 0 1 367.287 2.893 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606371 743114997 /nfs/dbraw/zinc/11/49/97/743114997.db2.gz QKUSJXAWPIINLZ-UONOGXRCSA-N 0 1 354.878 2.717 20 10 FFCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606371 743115001 /nfs/dbraw/zinc/11/50/01/743115001.db2.gz QKUSJXAWPIINLZ-UONOGXRCSA-N 0 1 354.878 2.717 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824653922 743122884 /nfs/dbraw/zinc/12/28/84/743122884.db2.gz JMQGDOJXHQHDFG-NFAWXSAZSA-N 0 1 356.260 2.517 20 10 FFCDMN COc1cc(O)c(CN2CCN(CC(F)(F)F)C[C@H](C)C2)cc1OC ZINC000825124853 743214322 /nfs/dbraw/zinc/21/43/22/743214322.db2.gz ZRARTEQCPPPGHF-GFCCVEGCSA-N 0 1 362.392 2.725 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826785615 743442126 /nfs/dbraw/zinc/44/21/26/743442126.db2.gz ZNYNATMREIMVFW-UHFFFAOYSA-N 0 1 351.244 2.833 20 10 FFCDMN CCOc1ccc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)nn1 ZINC000827798701 744980234 /nfs/dbraw/zinc/98/02/34/744980234.db2.gz IHEBGOUEIUUZCQ-UHFFFAOYSA-N 0 1 366.824 2.696 20 10 FFCDMN CCOC[C@H](C)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000831544401 745544898 /nfs/dbraw/zinc/54/48/98/745544898.db2.gz ZDNIRTXSIRROQV-VIFPVBQESA-N 0 1 356.271 2.791 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834913942 745923264 /nfs/dbraw/zinc/92/32/64/745923264.db2.gz JORVFAJHUPEOPA-JKOKRWQUSA-N 0 1 353.260 2.959 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000834915710 745924008 /nfs/dbraw/zinc/92/40/08/745924008.db2.gz TWEULDLOVSHBRC-JKOKRWQUSA-N 0 1 353.260 2.959 20 10 FFCDMN CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836576954 746259753 /nfs/dbraw/zinc/25/97/53/746259753.db2.gz ZCMQJAVOQFBECL-NOZJJQNGSA-N 0 1 363.241 2.550 20 10 FFCDMN CCn1cc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000840761662 747175733 /nfs/dbraw/zinc/17/57/33/747175733.db2.gz ZPNHVALILAZXIW-ZDUSSCGKSA-N 0 1 350.413 2.869 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840894747 747217016 /nfs/dbraw/zinc/21/70/16/747217016.db2.gz VDAHMBVQEPHXLV-UHFFFAOYSA-N 0 1 369.870 2.926 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947806 747238465 /nfs/dbraw/zinc/23/84/65/747238465.db2.gz GPTLPESZIVINQK-SWLSCSKDSA-N 0 1 360.907 2.552 20 10 FFCDMN O=S1(=O)CCCN1C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000840953881 747241731 /nfs/dbraw/zinc/24/17/31/747241731.db2.gz BZGSVAKIOKYOSI-UHFFFAOYSA-N 0 1 360.479 2.545 20 10 FFCDMN COC(=O)[C@]1(C)CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000840975610 747248976 /nfs/dbraw/zinc/24/89/76/747248976.db2.gz PLZYMHVLOFWNFI-MRXNPFEDSA-N 0 1 372.259 2.938 20 10 FFCDMN CC(C)[C@H](N)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030445 747259029 /nfs/dbraw/zinc/25/90/29/747259029.db2.gz MCJKKRIRTHXKPN-LLVKDONJSA-N 0 1 366.097 2.990 20 10 FFCDMN C[NH2+]CCCN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000841104048 747270160 /nfs/dbraw/zinc/27/01/60/747270160.db2.gz MTEQFBZFOPKACR-UHFFFAOYSA-N 0 1 366.097 2.959 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(CC(F)F)C1 ZINC000841595959 747415971 /nfs/dbraw/zinc/41/59/71/747415971.db2.gz XGKMRWDZFIRDMX-SNVBAGLBSA-N 0 1 368.211 2.838 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)cc1[O-] ZINC000841753427 747449545 /nfs/dbraw/zinc/44/95/45/747449545.db2.gz SYSHUXGTDKCZSN-LBPRGKRZSA-N 0 1 369.870 2.662 20 10 FFCDMN CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000842905380 747717873 /nfs/dbraw/zinc/71/78/73/747717873.db2.gz YBBNLYPFPXYNKW-CYBMUJFWSA-N 0 1 353.264 2.957 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2F)CC1 ZINC000843544883 747851559 /nfs/dbraw/zinc/85/15/59/747851559.db2.gz HLOYYDXSRALDFF-UHFFFAOYSA-N 0 1 355.404 2.629 20 10 FFCDMN COC/C(C)=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000845832347 748334053 /nfs/dbraw/zinc/33/40/53/748334053.db2.gz CEBMRQFNHKQWDF-LPDYGMJQSA-N 0 1 352.862 2.719 20 10 FFCDMN COC/C(C)=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000845832347 748334063 /nfs/dbraw/zinc/33/40/63/748334063.db2.gz 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Oc1c(Cl)cc(F)cc1CN1CCn2nc(C(F)(F)F)nc2C1 ZINC001237807833 1043372250 /nfs/dbraw/zinc/37/22/50/1043372250.db2.gz MUDQBWAFKANWTF-UHFFFAOYSA-N 0 1 350.703 2.811 20 10 FFCDMN [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001237813614 1043376100 /nfs/dbraw/zinc/37/61/00/1043376100.db2.gz OEJNMICDNYCDPW-UHFFFAOYSA-N 0 1 371.384 2.654 20 10 FFCDMN [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3ccc(F)c4ccccc43)c2)C1 ZINC001237815175 1043377845 /nfs/dbraw/zinc/37/78/45/1043377845.db2.gz ZKYRMAPERBYVQS-UHFFFAOYSA-N 0 1 371.437 2.927 20 10 FFCDMN O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001237938132 1043443819 /nfs/dbraw/zinc/44/38/19/1043443819.db2.gz UFUDHWANMUBUIW-BETUJISGSA-N 0 1 364.804 2.982 20 10 FFCDMN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(F)c(F)c2[O-])n(C)n1 ZINC001279696942 1043486709 /nfs/dbraw/zinc/48/67/09/1043486709.db2.gz LJVFZOXVFFLGMC-IRXDYDNUSA-N 0 1 362.424 2.561 20 10 FFCDMN Cc1cc(F)cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c1O ZINC001238061752 1043509583 /nfs/dbraw/zinc/50/95/83/1043509583.db2.gz RUNFSYSFRBVLNC-KURKYZTESA-N 0 1 362.445 2.584 20 10 FFCDMN C=Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001309934471 1043595740 /nfs/dbraw/zinc/59/57/40/1043595740.db2.gz RAOFCMWTMKSGFR-HXUWFJFHSA-N 0 1 373.522 2.977 20 10 FFCDMN Cn1nc(C2CC2)cc1NC(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001279968154 1044001737 /nfs/dbraw/zinc/00/17/37/1044001737.db2.gz GMLFENITZKOUGH-MGPUTAFESA-N 0 1 352.438 2.606 20 10 FFCDMN O=C(Nc1cn[nH]c1)[C@@H]1CC12C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279972140 1044012753 /nfs/dbraw/zinc/01/27/53/1044012753.db2.gz MMPYTXFQENVBDO-LBPRGKRZSA-N 0 1 367.236 2.883 20 10 FFCDMN COc1cccc(CN2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c1O ZINC001279977326 1044021940 /nfs/dbraw/zinc/02/19/40/1044021940.db2.gz IBARJHHBKYTSNI-GPANFISMSA-N 0 1 362.445 2.620 20 10 FFCDMN NC(=O)C1=CC2(CC1)CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001279982666 1044030965 /nfs/dbraw/zinc/03/09/65/1044030965.db2.gz JWQPXWXJVOWRGX-UHFFFAOYSA-N 0 1 365.271 2.942 20 10 FFCDMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)NC(C)(C)C)n3nccc3C2)c(O)c1 ZINC001280047169 1044135713 /nfs/dbraw/zinc/13/57/13/1044135713.db2.gz ZYFURJIKYDVBAO-KRWDZBQOSA-N 0 1 356.470 2.759 20 10 FFCDMN Cc1ccc(CN2CC[C@@H](C(=O)NC(C)(C)C)n3nccc3C2)c(O)c1 ZINC001280047169 1044135722 /nfs/dbraw/zinc/13/57/22/1044135722.db2.gz ZYFURJIKYDVBAO-KRWDZBQOSA-N 0 1 356.470 2.759 20 10 FFCDMN CC(C)(C)NC(=O)[C@@H]1CCSC12CN(Cc1cc(F)ccc1O)C2 ZINC001280293580 1044562298 /nfs/dbraw/zinc/56/22/98/1044562298.db2.gz VYKVTSJHZQAYHX-AWEZNQCLSA-N 0 1 352.475 2.754 20 10 FFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCC(F)(F)F ZINC001320253035 1045375574 /nfs/dbraw/zinc/37/55/74/1045375574.db2.gz OJLZAFMONCPOGF-JGVFFNPUSA-N 0 1 369.181 2.872 20 10 FFCDMN Cc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288330843 1047449039 /nfs/dbraw/zinc/44/90/39/1047449039.db2.gz ROPFQCSTUOTQPS-UHFFFAOYSA-N 0 1 358.873 2.725 20 10 FFCDMN CCc1ccccc1OCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288331263 1047449100 /nfs/dbraw/zinc/44/91/00/1047449100.db2.gz YHOHUJUUHYRIID-UHFFFAOYSA-N 0 1 367.493 2.696 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C(F)(F)c3ccccc3)cc2)CC1 ZINC001288331396 1047449263 /nfs/dbraw/zinc/44/92/63/1047449263.db2.gz ZOTAMXBWJAGSPP-UHFFFAOYSA-N 0 1 359.420 2.847 20 10 FFCDMN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393506 1049883106 /nfs/dbraw/zinc/88/31/06/1049883106.db2.gz XWFSOEYOITUIOZ-HFTRVMKXSA-N 0 1 372.469 2.684 20 10 FFCDMN COc1ccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c(O)c1OC ZINC001343018638 1051633980 /nfs/dbraw/zinc/63/39/80/1051633980.db2.gz BBMSWIZNTVCOKP-UHFFFAOYSA-N 0 1 361.423 2.752 20 10 FFCDMN COc1ccc(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)c(O)c1OC ZINC001343018638 1051633984 /nfs/dbraw/zinc/63/39/84/1051633984.db2.gz BBMSWIZNTVCOKP-UHFFFAOYSA-N 0 1 361.423 2.752 20 10 FFCDMN COc1ccc(N2CCN(CCOc3ccc4c(c3)OCO4)CC2)cc1F ZINC001307574879 1052322393 /nfs/dbraw/zinc/32/23/93/1052322393.db2.gz SAHKTRXECABADL-UHFFFAOYSA-N 0 1 374.412 2.764 20 10 FFCDMN CS(=O)(=O)c1ccc(CNCc2c(O)cccc2Br)cc1 ZINC001308227717 1052433853 /nfs/dbraw/zinc/43/38/53/1052433853.db2.gz PFRFNAQGCFOBKS-UHFFFAOYSA-N 0 1 370.268 2.848 20 10 FFCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001308227717 1052433857 /nfs/dbraw/zinc/43/38/57/1052433857.db2.gz PFRFNAQGCFOBKS-UHFFFAOYSA-N 0 1 370.268 2.848 20 10 FFCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC001308645066 1052481625 /nfs/dbraw/zinc/48/16/25/1052481625.db2.gz GSMMVNLWTIVFPU-UHFFFAOYSA-N 0 1 361.511 2.812 20 10 FFCDMN CC(C)CN1CCN(Cc2cc(Br)cc(F)c2O)[C@@H](C)C1=O ZINC001308708351 1052489236 /nfs/dbraw/zinc/48/92/36/1052489236.db2.gz CAGRVIDTECAGIZ-NSHDSACASA-N 0 1 373.266 2.983 20 10 FFCDMN CCc1nc([C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)n[nH]1 ZINC001350065575 1055602225 /nfs/dbraw/zinc/60/22/25/1055602225.db2.gz WLHVCQPMMBQCED-JTQLQIEISA-N 0 1 357.439 2.915 20 10 FFCDMN CCOc1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nn1 ZINC001350592691 1055850593 /nfs/dbraw/zinc/85/05/93/1055850593.db2.gz BTNXDKIOVTVKAM-UHFFFAOYSA-N 0 1 367.497 2.798 20 10 FFCDMN Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001352915695 1055924956 /nfs/dbraw/zinc/92/49/56/1055924956.db2.gz COAGQJYRQVJCDY-UHFFFAOYSA-N 0 1 369.469 2.934 20 10 FFCDMN CCOc1ccccc1[C@H](N)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001353517414 1056487894 /nfs/dbraw/zinc/48/78/94/1056487894.db2.gz GEBUBXYNFKSSKE-QGZVFWFLSA-N 0 1 359.445 2.997 20 10 FFCDMN CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)CC1 ZINC001461929690 1061454291 /nfs/dbraw/zinc/45/42/91/1061454291.db2.gz XFPRSIYQNLIBKN-UHFFFAOYSA-N 0 1 353.457 2.661 20 10 FFCDMN CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C(F)(F)F ZINC001462553865 1061670420 /nfs/dbraw/zinc/67/04/20/1061670420.db2.gz FIMUQEXZLODMSB-NXEZZACHSA-N 0 1 353.287 2.844 20 10 FFCDMN Cc1cc(C(=O)NC[C@H](O)c2cnc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC001528869340 1062067099 /nfs/dbraw/zinc/06/70/99/1062067099.db2.gz FTCNLJITZQDEPY-IBGZPJMESA-N 0 1 352.438 2.897 20 10 FFCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc2n[nH]cc21 ZINC001546151807 1062977961 /nfs/dbraw/zinc/97/79/61/1062977961.db2.gz HULDIALKYFIQBS-UHFFFAOYSA-N 0 1 373.796 2.737 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)NCCN2CC=CC2)CCCC1 ZINC001465332029 1063053418 /nfs/dbraw/zinc/05/34/18/1063053418.db2.gz LIDJHKIRGLNFCD-UHFFFAOYSA-N 0 1 353.466 2.517 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)CC1 ZINC001533685263 1063373313 /nfs/dbraw/zinc/37/33/13/1063373313.db2.gz YQPSERMOEQSWFU-UHFFFAOYSA-N 0 1 366.490 2.978 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCCOC3CCCCC3)cc2)CC1 ZINC001468197754 1063942934 /nfs/dbraw/zinc/94/29/34/1063942934.db2.gz RBIDLKVKJGIVAL-UHFFFAOYSA-N 0 1 374.529 2.587 20 10 FFCDMN O=C(NCc1ccc2cccnc2c1O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001469248963 1064116842 /nfs/dbraw/zinc/11/68/42/1064116842.db2.gz KBWANZAMTWHZPO-UHFFFAOYSA-N 0 1 359.389 2.579 20 10 FFCDMN CS(=O)(=O)c1cccc(CNCc2c(O)cccc2Br)c1 ZINC001560471970 1076275166 /nfs/dbraw/zinc/27/51/66/1076275166.db2.gz DWBUQLKLKXGGBN-UHFFFAOYSA-N 0 1 370.268 2.848 20 10 FFCDMN CS(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC001560471970 1076275170 /nfs/dbraw/zinc/27/51/70/1076275170.db2.gz DWBUQLKLKXGGBN-UHFFFAOYSA-N 0 1 370.268 2.848 20 10 FFCDMN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001560988050 1076316691 /nfs/dbraw/zinc/31/66/91/1076316691.db2.gz GLZMLNDCWUWNDS-ZBEGNZNMSA-N 0 1 354.244 2.930 20 10 FFCDMN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001560988050 1076316695 /nfs/dbraw/zinc/31/66/95/1076316695.db2.gz GLZMLNDCWUWNDS-ZBEGNZNMSA-N 0 1 354.244 2.930 20 10 FFCDMN CN(CC(=O)N(C)Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758223 507631744 /nfs/dbraw/zinc/63/17/44/507631744.db2.gz GLVZBOSMKHMBNA-UHFFFAOYSA-N 0 1 367.493 2.614 20 10 FFCDMN C[C@H](CNC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc2C1 ZINC000079497008 507968490 /nfs/dbraw/zinc/96/84/90/507968490.db2.gz UPNVJJNXTLNPQN-MRXNPFEDSA-N 0 1 353.466 2.980 20 10 FFCDMN Cn1cnnc1C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000091794735 508013769 /nfs/dbraw/zinc/01/37/69/508013769.db2.gz AKGPARBPVVMHDC-UHFFFAOYSA-N 0 1 351.248 2.663 20 10 FFCDMN O=C(NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)C1CCOCC1 ZINC000120082197 508923961 /nfs/dbraw/zinc/92/39/61/508923961.db2.gz QHULBQUXXOMWHZ-UHFFFAOYSA-N 0 1 352.862 2.553 20 10 FFCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000132945944 509095003 /nfs/dbraw/zinc/09/50/03/509095003.db2.gz BZRNGHNSHBYPIS-ZDUSSCGKSA-N 0 1 365.455 2.783 20 10 FFCDMN O=S(=O)(NC1CCN(Cc2cc(F)ccc2O)CC1)c1cccs1 ZINC000179897600 509664756 /nfs/dbraw/zinc/66/47/56/509664756.db2.gz WZRWTHRTTYTQKO-UHFFFAOYSA-N 0 1 370.471 2.536 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000237630877 509696210 /nfs/dbraw/zinc/69/62/10/509696210.db2.gz HKIQBNOCKGBWOT-CALCHBBNSA-N 0 1 367.493 2.737 20 10 FFCDMN CN1CCN(C(=O)c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)CC1 ZINC000264989241 509811581 /nfs/dbraw/zinc/81/15/81/509811581.db2.gz WRJWBLSWWAZQGL-UHFFFAOYSA-N 0 1 373.884 2.723 20 10 FFCDMN Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)o1 ZINC000180734845 510080069 /nfs/dbraw/zinc/08/00/69/510080069.db2.gz CAPWXMGATPKARV-YXMGTMDOSA-N 0 1 356.422 2.966 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cccnc3)cc2F)CC1 ZINC000174682360 510249162 /nfs/dbraw/zinc/24/91/62/510249162.db2.gz JOOYMHLUBGUJSY-MRXNPFEDSA-N 0 1 370.472 2.783 20 10 FFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000278450973 510994161 /nfs/dbraw/zinc/99/41/61/510994161.db2.gz LNQNXSXSOUXSJI-LBPRGKRZSA-N 0 1 355.276 2.670 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000288484128 511077627 /nfs/dbraw/zinc/07/76/27/511077627.db2.gz GRPGFTWYEAIONK-CJNGLKHVSA-N 0 1 350.212 2.739 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231947 511691819 /nfs/dbraw/zinc/69/18/19/511691819.db2.gz FVOLKPZRJHYFRM-CYBMUJFWSA-N 0 1 358.833 2.788 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231947 511691827 /nfs/dbraw/zinc/69/18/27/511691827.db2.gz FVOLKPZRJHYFRM-CYBMUJFWSA-N 0 1 358.833 2.788 20 10 FFCDMN CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000285152084 512018935 /nfs/dbraw/zinc/01/89/35/512018935.db2.gz PKAFMCIMNRBLNM-UHFFFAOYSA-N 0 1 358.441 2.622 20 10 FFCDMN CN1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC000376057369 512639771 /nfs/dbraw/zinc/63/97/71/512639771.db2.gz YVPPBPDVSUEFFD-UHFFFAOYSA-N 0 1 353.260 2.599 20 10 FFCDMN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378429811 512755000 /nfs/dbraw/zinc/75/50/00/512755000.db2.gz TWLLJQOCNHBUBM-APHBMKBZSA-N 0 1 352.862 2.551 20 10 FFCDMN COCC(C)(C)N1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000425515360 513613892 /nfs/dbraw/zinc/61/38/92/513613892.db2.gz KWRFNBYWWDHZQN-UHFFFAOYSA-N 0 1 372.513 2.739 20 10 FFCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)N1CCCC1 ZINC000527809166 517926018 /nfs/dbraw/zinc/92/60/18/517926018.db2.gz JUFYDAJIKDFNHY-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1OC ZINC000833888180 605500256 /nfs/dbraw/zinc/50/02/56/605500256.db2.gz WEVBYBXSYVCQEP-ZFWWWQNUSA-N 0 1 364.442 2.764 20 10 FFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000743259513 735286115 /nfs/dbraw/zinc/28/61/15/735286115.db2.gz BVUVSQRMNVLBPH-UHFFFAOYSA-N 0 1 354.771 2.589 20 10 FFCDMN Cc1nsc(N2CCC[N@H+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000743382388 735294028 /nfs/dbraw/zinc/29/40/28/735294028.db2.gz PUEMVKQZQKAHTC-UHFFFAOYSA-N 0 1 355.467 2.813 20 10 FFCDMN Cc1nsc(N2CCC[N@@H+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000743382388 735294030 /nfs/dbraw/zinc/29/40/30/735294030.db2.gz PUEMVKQZQKAHTC-UHFFFAOYSA-N 0 1 355.467 2.813 20 10 FFCDMN CCc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134264404 728729343 /nfs/dbraw/zinc/72/93/43/728729343.db2.gz LELBFOAWPVZGJP-HNNXBMFYSA-N 0 1 362.861 2.726 20 10 FFCDMN COCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000778913832 738420746 /nfs/dbraw/zinc/42/07/46/738420746.db2.gz FRNCZANZPWZHFO-OAHLLOKOSA-N 0 1 352.862 2.553 20 10 FFCDMN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000184964937 729338092 /nfs/dbraw/zinc/33/80/92/729338092.db2.gz GYXPFNNFNYOBSQ-GFCCVEGCSA-N 0 1 352.431 2.632 20 10 FFCDMN C[C@@](N)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000192520616 729451700 /nfs/dbraw/zinc/45/17/00/729451700.db2.gz JNUASJSYNXGCKI-FQEVSTJZSA-N 0 1 355.507 2.730 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000856596200 730346895 /nfs/dbraw/zinc/34/68/95/730346895.db2.gz AFDXMOSCEBFVSX-GOSISDBHSA-N 0 1 365.861 2.869 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)n1 ZINC000856596200 730346896 /nfs/dbraw/zinc/34/68/96/730346896.db2.gz AFDXMOSCEBFVSX-GOSISDBHSA-N 0 1 365.861 2.869 20 10 FFCDMN O=S1(=O)Cc2ccccc2[C@H](NCc2c(O)ccc(Cl)c2F)C1 ZINC000857058506 730376833 /nfs/dbraw/zinc/37/68/33/730376833.db2.gz OMNSUUAULZSRQJ-CQSZACIVSA-N 0 1 355.818 2.944 20 10 FFCDMN CC(C)(C)N1C[C@@H](C[NH2+]Cc2c([O-])cccc2Br)CC1=O ZINC000858195417 730419417 /nfs/dbraw/zinc/41/94/17/730419417.db2.gz VWXWWPQCMHALFB-LLVKDONJSA-N 0 1 355.276 2.891 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1[O-] ZINC000858465896 730426525 /nfs/dbraw/zinc/42/65/25/730426525.db2.gz PHRXTOONYUKNFY-VQIMIIECSA-N 0 1 368.905 2.702 20 10 FFCDMN C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858767008 730433233 /nfs/dbraw/zinc/43/32/33/730433233.db2.gz YUBJHZAEOVRFTI-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858767008 730433234 /nfs/dbraw/zinc/43/32/34/730433234.db2.gz YUBJHZAEOVRFTI-LBPRGKRZSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859411612 730453760 /nfs/dbraw/zinc/45/37/60/730453760.db2.gz LNEUCQSFJUFEMI-GJZGRUSLSA-N 0 1 353.457 2.934 20 10 FFCDMN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859411611 730453796 /nfs/dbraw/zinc/45/37/96/730453796.db2.gz LNEUCQSFJUFEMI-GASCZTMLSA-N 0 1 353.457 2.934 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000862321744 730687354 /nfs/dbraw/zinc/68/73/54/730687354.db2.gz CWUFFRZDJIFLQB-UHFFFAOYSA-N 0 1 356.260 2.784 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000862321744 730687355 /nfs/dbraw/zinc/68/73/55/730687355.db2.gz CWUFFRZDJIFLQB-UHFFFAOYSA-N 0 1 356.260 2.784 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368407 730692867 /nfs/dbraw/zinc/69/28/67/730692867.db2.gz HETDUFGOVSMTGJ-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368407 730692869 /nfs/dbraw/zinc/69/28/69/730692869.db2.gz HETDUFGOVSMTGJ-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CC1=NC(=S)N[C@H](c2cc(F)c(N(C)C)cc2F)C1C(=O)OC(C)C ZINC000863391736 730775540 /nfs/dbraw/zinc/77/55/40/730775540.db2.gz NTUGEEYJKQSLCW-OAHLLOKOSA-N 0 1 369.437 2.775 20 10 FFCDMN Cc1ccc(O)c([C@H](C)NCc2c(I)cnn2C)c1 ZINC000866632494 731082182 /nfs/dbraw/zinc/08/21/82/731082182.db2.gz ZXWPOXDUBWIKDH-JTQLQIEISA-N 0 1 371.222 2.890 20 10 FFCDMN COc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795795 731832341 /nfs/dbraw/zinc/83/23/41/731832341.db2.gz NZGNEHSTVUCHOZ-HIFRSBDPSA-N 0 1 367.511 2.565 20 10 FFCDMN OC1CCN(c2ccc(CN3CC[C@@H](n4cc(Cl)cn4)C3)cc2)CC1 ZINC000877543018 732384460 /nfs/dbraw/zinc/38/44/60/732384460.db2.gz VENVDVMEYXVREZ-GOSISDBHSA-N 0 1 360.889 2.945 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877674845 732410041 /nfs/dbraw/zinc/41/00/41/732410041.db2.gz NLPPMFFNIZWORH-NSHDSACASA-N 0 1 365.153 2.639 20 10 FFCDMN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798922 732434163 /nfs/dbraw/zinc/43/41/63/732434163.db2.gz GDZXAOMESKDNMR-OAGGEKHMSA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798923 732434639 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C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894747204 734909192 /nfs/dbraw/zinc/90/91/92/734909192.db2.gz IRWFWFNGGILBRF-RISCZKNCSA-N 0 1 373.266 2.589 20 10 FFCDMN CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000740900030 735097519 /nfs/dbraw/zinc/09/75/19/735097519.db2.gz IWTRBRIFELYZLU-STQMWFEESA-N 0 1 362.289 2.600 20 10 FFCDMN CN(C)c1ccc([C@@H](CNc2ccccc2S(C)(=O)=O)N(C)C)cc1 ZINC000897526297 735243004 /nfs/dbraw/zinc/24/30/04/735243004.db2.gz YUXUOUBXXWSXIF-GOSISDBHSA-N 0 1 361.511 2.871 20 10 FFCDMN COc1ccc(N2CCC(NCc3nc(CN(C)C)cs3)CC2)cc1 ZINC000903226655 736060254 /nfs/dbraw/zinc/06/02/54/736060254.db2.gz OSYVCPMSGMNLKQ-UHFFFAOYSA-N 0 1 360.527 2.972 20 10 FFCDMN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903299560 736072668 /nfs/dbraw/zinc/07/26/68/736072668.db2.gz OVEHOPDSICYWHP-FSPWUOQZSA-N 0 1 354.878 2.631 20 10 FFCDMN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000763560020 736948048 /nfs/dbraw/zinc/94/80/48/736948048.db2.gz YZUOXKGTNXCJPH-XHDPSFHLSA-N 0 1 358.276 2.983 20 10 FFCDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911621 737476336 /nfs/dbraw/zinc/47/63/36/737476336.db2.gz GJTAHJOKYKSBSW-CZUORRHYSA-N 0 1 362.861 2.584 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527283 738099286 /nfs/dbraw/zinc/09/92/86/738099286.db2.gz PWQIXNIILMTWQB-HOTGVXAUSA-N 0 1 352.862 2.866 20 10 FFCDMN CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1[O-] ZINC000775537529 738100397 /nfs/dbraw/zinc/10/03/97/738100397.db2.gz ZWVRCUVHOAHLTD-VZSAFFHGSA-N 0 1 365.861 2.807 20 10 FFCDMN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775652490 738109636 /nfs/dbraw/zinc/10/96/36/738109636.db2.gz LRDREASBHSAMDY-OAHLLOKOSA-N 0 1 365.905 2.564 20 10 FFCDMN O=C(C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000775719476 738117005 /nfs/dbraw/zinc/11/70/05/738117005.db2.gz UOEBZZMPPAOPOE-OAHLLOKOSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000776015151 738152728 /nfs/dbraw/zinc/15/27/28/738152728.db2.gz UNSXTMKEMNQYIZ-STQMWFEESA-N 0 1 372.259 2.697 20 10 FFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(Br)c1[O-] ZINC000787301496 739124440 /nfs/dbraw/zinc/12/44/40/739124440.db2.gz DLFRZVGQEHQZJO-CYBMUJFWSA-N 0 1 369.303 2.840 20 10 FFCDMN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cccc(Br)c1O ZINC000788432431 739244404 /nfs/dbraw/zinc/24/44/04/739244404.db2.gz CSIQMLMBWVWQBQ-OCCSQVGLSA-N 0 1 354.244 2.725 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790411933 739450279 /nfs/dbraw/zinc/45/02/79/739450279.db2.gz WPPFPPHALDDAMW-UHFFFAOYSA-N 0 1 370.358 2.947 20 10 FFCDMN O=[N+]([O-])c1ccc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cn1 ZINC000792162523 739644384 /nfs/dbraw/zinc/64/43/84/739644384.db2.gz KFWHMPHZZWFEJC-UHFFFAOYSA-N 0 1 366.780 2.810 20 10 FFCDMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792975388 739725546 /nfs/dbraw/zinc/72/55/46/739725546.db2.gz HROAVYWHGNKMQH-LLVKDONJSA-N 0 1 352.422 2.684 20 10 FFCDMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000794803785 739932234 /nfs/dbraw/zinc/93/22/34/739932234.db2.gz KJQUXJMHRJNTIQ-AWEZNQCLSA-N 0 1 360.479 2.737 20 10 FFCDMN CCCn1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513168 741138050 /nfs/dbraw/zinc/13/80/50/741138050.db2.gz INDXUMYKRGSAFX-UHFFFAOYSA-N 0 1 371.224 2.560 20 10 FFCDMN Cc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807511431 741138136 /nfs/dbraw/zinc/13/81/36/741138136.db2.gz MRQMQQIAQODUBE-UHFFFAOYSA-N 0 1 354.193 2.657 20 10 FFCDMN COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807511544 741138226 /nfs/dbraw/zinc/13/82/26/741138226.db2.gz OOKJTTMBCMXSKY-UHFFFAOYSA-N 0 1 369.204 2.963 20 10 FFCDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839581 741163277 /nfs/dbraw/zinc/16/32/77/741163277.db2.gz HXGLMIRNOYMRQT-UHFFFAOYSA-N 0 1 359.169 2.510 20 10 FFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] 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350.459 2.634 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809778799 741342952 /nfs/dbraw/zinc/34/29/52/741342952.db2.gz WFWWOPWGZLVSDB-LBPRGKRZSA-N 0 1 355.822 2.692 20 10 FFCDMN CCOC(=O)COCC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000809950070 741365463 /nfs/dbraw/zinc/36/54/63/741365463.db2.gz BXOIWJYSABDEBO-UHFFFAOYSA-N 0 1 360.248 2.556 20 10 FFCDMN CCOC(=O)COCC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000809950070 741365466 /nfs/dbraw/zinc/36/54/66/741365466.db2.gz BXOIWJYSABDEBO-UHFFFAOYSA-N 0 1 360.248 2.556 20 10 FFCDMN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000811459490 741525722 /nfs/dbraw/zinc/52/57/22/741525722.db2.gz FWONIKLXNTYKAM-INIZCTEOSA-N 0 1 373.266 2.983 20 10 FFCDMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000811459490 741525724 /nfs/dbraw/zinc/52/57/24/741525724.db2.gz FWONIKLXNTYKAM-INIZCTEOSA-N 0 1 373.266 2.983 20 10 FFCDMN COCCCN(Cc1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000816482586 742032855 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COc1ccc(C[NH+]2CCN(c3ncccc3OC)CC2)c([O-])c1Cl ZINC001236807854 1038282525 /nfs/dbraw/zinc/28/25/25/1038282525.db2.gz UAJQABJTFHWMHZ-UHFFFAOYSA-N 0 1 363.845 2.780 20 10 FFCDMN CC[C@H](C)N1CC2(CCC1=O)CCN(Cc1cc(O)c(O)c(O)c1)CC2 ZINC001278043871 1038415157 /nfs/dbraw/zinc/41/51/57/1038415157.db2.gz UWTCKDOEDBNOLQ-AWEZNQCLSA-N 0 1 362.470 2.807 20 10 FFCDMN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Br)[C@@H]1C ZINC001237068932 1038433836 /nfs/dbraw/zinc/43/38/36/1038433836.db2.gz WGSXVTYWCYJOCE-ZYHUDNBSSA-N 0 1 372.259 2.937 20 10 FFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Br)[C@@H]1C ZINC001237068932 1038433843 /nfs/dbraw/zinc/43/38/43/1038433843.db2.gz WGSXVTYWCYJOCE-ZYHUDNBSSA-N 0 1 372.259 2.937 20 10 FFCDMN COc1ccnc(O[C@@H]2CCN(Cc3cc(C(F)(F)F)ccc3O)C2)n1 ZINC001237143711 1038454731 /nfs/dbraw/zinc/45/47/31/1038454731.db2.gz MHHZKLAWHUTSQV-CYBMUJFWSA-N 0 1 369.343 2.863 20 10 FFCDMN CC(=O)N[C@H](Cc1cnc[nH]1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951609 1038662043 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/nfs/dbraw/zinc/98/20/37/1042982037.db2.gz BPPZZNNZSXIOJD-UHFFFAOYSA-N 0 1 372.387 2.941 20 10 FFCDMN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279421636 1043094426 /nfs/dbraw/zinc/09/44/26/1043094426.db2.gz LOSTUFZDXSOWNB-ZBFHGGJFSA-N 0 1 362.367 2.759 20 10 FFCDMN Cc1cc(CN2CC3(C2)CCC[N@@H+](Cc2c([O-])cccc2F)C3)n(C)n1 ZINC001279421836 1043095005 /nfs/dbraw/zinc/09/50/05/1043095005.db2.gz QBBFIHCOWIJLDA-UHFFFAOYSA-N 0 1 358.461 2.671 20 10 FFCDMN COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001279514936 1043211530 /nfs/dbraw/zinc/21/15/30/1043211530.db2.gz VWEFLWOGAJNZRS-IYBDPMFKSA-N 0 1 374.403 2.680 20 10 FFCDMN COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001279514936 1043211534 /nfs/dbraw/zinc/21/15/34/1043211534.db2.gz VWEFLWOGAJNZRS-IYBDPMFKSA-N 0 1 374.403 2.680 20 10 FFCDMN O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001279523819 1043221973 /nfs/dbraw/zinc/22/19/73/1043221973.db2.gz BREWSCIGGYKVQN-SMDDNHRTSA-N 0 1 350.846 2.840 20 10 FFCDMN O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001279523819 1043221982 /nfs/dbraw/zinc/22/19/82/1043221982.db2.gz BREWSCIGGYKVQN-SMDDNHRTSA-N 0 1 350.846 2.840 20 10 FFCDMN O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001279523819 1043221991 /nfs/dbraw/zinc/22/19/91/1043221991.db2.gz BREWSCIGGYKVQN-SMDDNHRTSA-N 0 1 350.846 2.840 20 10 FFCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)c1ccncc1 ZINC001237622955 1043279740 /nfs/dbraw/zinc/27/97/40/1043279740.db2.gz GBWJXNMOJQLKER-OAHLLOKOSA-N 0 1 363.820 2.974 20 10 FFCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)c1ccncc1 ZINC001237622955 1043279748 /nfs/dbraw/zinc/27/97/48/1043279748.db2.gz GBWJXNMOJQLKER-OAHLLOKOSA-N 0 1 363.820 2.974 20 10 FFCDMN C[C@H]1CCC[N@@H+](Cc2cccc(I)c2[O-])[C@@H]1CO ZINC001237775172 1043351611 /nfs/dbraw/zinc/35/16/11/1043351611.db2.gz DKLRMDGPOOBBET-GXFFZTMASA-N 0 1 361.223 2.590 20 10 FFCDMN [O-]c1c(I)cccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237781837 1043353422 /nfs/dbraw/zinc/35/34/22/1043353422.db2.gz BEGZVZQSBJTADR-AWEZNQCLSA-N 0 1 359.207 2.752 20 10 FFCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001237775644 1043349329 /nfs/dbraw/zinc/34/93/29/1043349329.db2.gz HGFHWFVTDRTERG-AWEZNQCLSA-N 0 1 359.207 2.609 20 10 FFCDMN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237784286 1043355699 /nfs/dbraw/zinc/35/56/99/1043355699.db2.gz SZJNZVMHZJPBRS-CYBMUJFWSA-N 0 1 372.250 2.665 20 10 FFCDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237784286 1043355701 /nfs/dbraw/zinc/35/57/01/1043355701.db2.gz SZJNZVMHZJPBRS-CYBMUJFWSA-N 0 1 372.250 2.665 20 10 FFCDMN [O-]c1c(I)cccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237781857 1043355926 /nfs/dbraw/zinc/35/59/26/1043355926.db2.gz BGZPINHQPMDBOB-VWUVDNNOSA-N 0 1 371.218 2.606 20 10 FFCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CO)C2)cc(Br)cc1C(F)(F)F ZINC001237782594 1043356919 /nfs/dbraw/zinc/35/69/19/1043356919.db2.gz ZXVHLVIVXWFCHX-MRVPVSSYSA-N 0 1 354.166 2.988 20 10 FFCDMN O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697138 1043487281 /nfs/dbraw/zinc/48/72/81/1043487281.db2.gz IPGRQRSCWQUJKG-UHFFFAOYSA-N 0 1 364.417 2.619 20 10 FFCDMN Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C(=O)[O-])cc1 ZINC000756283010 1043569289 /nfs/dbraw/zinc/56/92/89/1043569289.db2.gz XPJYSJPLUOIWQQ-HXUWFJFHSA-N 0 1 353.466 2.662 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000756309002 1043578724 /nfs/dbraw/zinc/57/87/24/1043578724.db2.gz OHBFKTYFWJBICU-HXUWFJFHSA-N 0 1 367.493 2.787 20 10 FFCDMN COc1cc(CN2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)cc(O)c1O ZINC001279860173 1043785053 /nfs/dbraw/zinc/78/50/53/1043785053.db2.gz IXNAFPJPMPUHFG-CQSZACIVSA-N 0 1 362.470 2.623 20 10 FFCDMN NC(=O)COC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC001319045758 1045002410 /nfs/dbraw/zinc/00/24/10/1045002410.db2.gz LJDQHKQBBIFBKY-UHFFFAOYSA-N 0 1 354.406 2.758 20 10 FFCDMN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1cc(F)c(N(C)C)cc1F ZINC001328764190 1048456227 /nfs/dbraw/zinc/45/62/27/1048456227.db2.gz KGOHJRLXBHLCHE-ZDUSSCGKSA-N 0 1 372.419 2.919 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001330213875 1049085340 /nfs/dbraw/zinc/08/53/40/1049085340.db2.gz LAZKGOKLVQMWBQ-ZWKOTPCHSA-N 0 1 368.481 2.711 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001330427255 1049162989 /nfs/dbraw/zinc/16/29/89/1049162989.db2.gz XESIYBOZJSNWTQ-OKZBNKHCSA-N 0 1 374.504 2.955 20 10 FFCDMN CCON(C)C(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308458214 1052458367 /nfs/dbraw/zinc/45/83/67/1052458367.db2.gz UKHNMRMLNNXWPB-UHFFFAOYSA-N 0 1 353.466 2.749 20 10 FFCDMN C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000849230063 1056803981 /nfs/dbraw/zinc/80/39/81/1056803981.db2.gz AASZQPUPBNFQMM-UWJYYQICSA-N 0 1 367.493 2.785 20 10 FFCDMN COc1ccc(N2CC[C@H](N[C@@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321265 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FFCDMN CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1CC(F)(F)CN ZINC001578496346 1078482147 /nfs/dbraw/zinc/48/21/47/1078482147.db2.gz CIQIJMMCPWOGNK-UHFFFAOYSA-N 0 1 365.428 2.872 20 10 FFCDMN Cc1ccc(F)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1F ZINC001583475489 1079220546 /nfs/dbraw/zinc/22/05/46/1079220546.db2.gz IPWNBSQEKCNICM-UHFFFAOYSA-N 0 1 359.420 2.955 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1Cl ZINC001560987131 1076316671 /nfs/dbraw/zinc/31/66/71/1076316671.db2.gz SFZUEQXBNAMNRO-UHFFFAOYSA-N 0 1 360.907 2.694 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NC(C)(C)/C=C\Cl)cc2)CC1 ZINC001565272816 1076707418 /nfs/dbraw/zinc/70/74/18/1076707418.db2.gz CGQHIVLARPFTIH-HJWRWDBZSA-N 0 1 350.894 2.769 20 10 FFCDMN CCOC(=O)C1(COC)CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000373469744 512348114 /nfs/dbraw/zinc/34/81/14/512348114.db2.gz PHZJJBZBVQAEOL-UHFFFAOYSA-N 0 1 371.861 2.846 20 10 FFCDMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)Cc3ccccc3O)n2)cc1 ZINC000120586823 509026874 /nfs/dbraw/zinc/02/68/74/509026874.db2.gz DIYGAVODDBGKHF-UHFFFAOYSA-N 0 1 367.409 2.528 20 10 FFCDMN COc1ccc(-c2nc(CNC(=O)N(C)Cc3ccccc3O)n[nH]2)cc1 ZINC000120586823 509026876 /nfs/dbraw/zinc/02/68/76/509026876.db2.gz DIYGAVODDBGKHF-UHFFFAOYSA-N 0 1 367.409 2.528 20 10 FFCDMN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186030340 509489287 /nfs/dbraw/zinc/48/92/87/509489287.db2.gz YISOODCKGMBPJI-ZJUUUORDSA-N 0 1 350.278 2.629 20 10 FFCDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269050992 510212361 /nfs/dbraw/zinc/21/23/61/510212361.db2.gz VLOCDKMKDXELFZ-IRXDYDNUSA-N 0 1 370.453 2.884 20 10 FFCDMN CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000246801127 510683264 /nfs/dbraw/zinc/68/32/64/510683264.db2.gz QTNHPNWNYZTHKP-VNHYZAJKSA-N 0 1 356.806 2.722 20 10 FFCDMN CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000246801127 510683270 /nfs/dbraw/zinc/68/32/70/510683270.db2.gz QTNHPNWNYZTHKP-VNHYZAJKSA-N 0 1 356.806 2.722 20 10 FFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000185318117 510803030 /nfs/dbraw/zinc/80/30/30/510803030.db2.gz MNQUQRAQRZQHRN-JOYOIKCWSA-N 0 1 351.248 2.720 20 10 FFCDMN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@@H+]1C1CC1 ZINC000277613662 510967266 /nfs/dbraw/zinc/96/72/66/510967266.db2.gz VWCLQSQGPXVKTG-ZYHUDNBSSA-N 0 1 368.275 2.579 20 10 FFCDMN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C[N@H+]1C1CC1 ZINC000277613662 510967268 /nfs/dbraw/zinc/96/72/68/510967268.db2.gz VWCLQSQGPXVKTG-ZYHUDNBSSA-N 0 1 368.275 2.579 20 10 FFCDMN CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)n4ccnc43)cc2F)CC1 ZINC000297603891 511005900 /nfs/dbraw/zinc/00/59/00/511005900.db2.gz IEKXYFUPTREJBO-MAUKXSAKSA-N 0 1 357.477 2.960 20 10 FFCDMN COC(=O)c1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000291162542 511161551 /nfs/dbraw/zinc/16/15/51/511161551.db2.gz IRHZJWXDHYZKDS-UHFFFAOYSA-N 0 1 371.481 2.589 20 10 FFCDMN CCc1nnc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)nc1CC ZINC000302728198 511710972 /nfs/dbraw/zinc/71/09/72/511710972.db2.gz KQDCFIJEWOPUDJ-UHFFFAOYSA-N 0 1 372.492 2.890 20 10 FFCDMN CNS(=O)(=O)c1cccc2c1CCN(Cc1cccc(Cl)c1O)C2 ZINC000285136768 512013815 /nfs/dbraw/zinc/01/38/15/512013815.db2.gz OJTVBTWUFRWJMZ-UHFFFAOYSA-N 0 1 366.870 2.512 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](F)[C@@H](F)C2)C1 ZINC000452687056 514457515 /nfs/dbraw/zinc/45/75/15/514457515.db2.gz KJYRDDXLPVGHHG-CALCHBBNSA-N 0 1 361.436 2.926 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887384 605989055 /nfs/dbraw/zinc/98/90/55/605989055.db2.gz GHIPYQNTPFXUFA-GJZGRUSLSA-N 0 1 364.442 2.906 20 10 FFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897906 605992759 /nfs/dbraw/zinc/99/27/59/605992759.db2.gz PGAZCMDTQOEEND-GXFFZTMASA-N 0 1 357.248 2.941 20 10 FFCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525239 /nfs/dbraw/zinc/52/52/39/608525239.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N 0 1 374.242 2.967 20 10 FFCDMN Cn1cc([C@@]2(C[NH2+]Cc3ccc(Br)cc3[O-])CCCO2)cn1 ZINC000898052539 735307340 /nfs/dbraw/zinc/30/73/40/735307340.db2.gz JEXOGRYCVRGPFL-INIZCTEOSA-N 0 1 366.259 2.684 20 10 FFCDMN CC[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000020546825 727832466 /nfs/dbraw/zinc/83/24/66/727832466.db2.gz ZMJXJKXYDCQIAJ-OAHLLOKOSA-N 0 1 357.292 2.918 20 10 FFCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCCO2 ZINC000111995400 728540390 /nfs/dbraw/zinc/54/03/90/728540390.db2.gz URZZJTSPMVFVDV-UHFFFAOYSA-N 0 1 360.435 2.859 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(=O)[nH]c1 ZINC000134260964 728729296 /nfs/dbraw/zinc/72/92/96/728729296.db2.gz XCSIOGSAIDOGJI-OAHLLOKOSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]c1 ZINC000134260964 728729297 /nfs/dbraw/zinc/72/92/97/728729297.db2.gz XCSIOGSAIDOGJI-OAHLLOKOSA-N 0 1 361.829 2.541 20 10 FFCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]c1 ZINC000134260964 728729298 /nfs/dbraw/zinc/72/92/98/728729298.db2.gz XCSIOGSAIDOGJI-OAHLLOKOSA-N 0 1 361.829 2.541 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)CC1 ZINC000171770480 729012415 /nfs/dbraw/zinc/01/24/15/729012415.db2.gz YFVFVDDOOPYAEU-XNTDXEJSSA-N 0 1 358.492 2.630 20 10 FFCDMN CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000179746884 729193419 /nfs/dbraw/zinc/19/34/19/729193419.db2.gz GXZONPKRPYZJET-UHFFFAOYSA-N 0 1 357.794 2.618 20 10 FFCDMN CCOC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000179746884 729193421 /nfs/dbraw/zinc/19/34/21/729193421.db2.gz GXZONPKRPYZJET-UHFFFAOYSA-N 0 1 357.794 2.618 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000179904852 729198202 /nfs/dbraw/zinc/19/82/02/729198202.db2.gz GOJYXNISMLCQRQ-UHFFFAOYSA-N 0 1 367.559 2.780 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000858164962 730418330 /nfs/dbraw/zinc/41/83/30/730418330.db2.gz JOHGYSUBRNEZOP-XJKSGUPXSA-N 0 1 350.212 2.739 20 10 FFCDMN Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858175106 730418736 /nfs/dbraw/zinc/41/87/36/730418736.db2.gz HMMMOYVMQYRLKA-ABAIWWIYSA-N 0 1 366.259 2.898 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237468 730679706 /nfs/dbraw/zinc/67/97/06/730679706.db2.gz QFQMTJKZWDQJQG-LBPRGKRZSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237468 730679707 /nfs/dbraw/zinc/67/97/07/730679707.db2.gz QFQMTJKZWDQJQG-LBPRGKRZSA-N 0 1 355.276 2.893 20 10 FFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237468 730679708 /nfs/dbraw/zinc/67/97/08/730679708.db2.gz QFQMTJKZWDQJQG-LBPRGKRZSA-N 0 1 355.276 2.893 20 10 FFCDMN CC1(C)CN(Cc2c(O)cccc2Br)C[C@]2(CCOC2)O1 ZINC000862350928 730690410 /nfs/dbraw/zinc/69/04/10/730690410.db2.gz JNIPMGUGPBOZJL-INIZCTEOSA-N 0 1 356.260 2.925 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000862385024 730695211 /nfs/dbraw/zinc/69/52/11/730695211.db2.gz NUPHIGMQBACICD-ZOWXZIJZSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000862385024 730695213 /nfs/dbraw/zinc/69/52/13/730695213.db2.gz NUPHIGMQBACICD-ZOWXZIJZSA-N 0 1 356.260 2.517 20 10 FFCDMN Cc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(F)c1 ZINC000865462448 730958151 /nfs/dbraw/zinc/95/81/51/730958151.db2.gz KYCRKIIBAVUERW-UHFFFAOYSA-N 0 1 362.470 2.659 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868911854 731343892 /nfs/dbraw/zinc/34/38/92/731343892.db2.gz SJEHDNGGQXJOQW-PWMQFFBLSA-N 0 1 357.237 2.922 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[O-] ZINC000872150242 731734415 /nfs/dbraw/zinc/73/44/15/731734415.db2.gz ZHYAPXLIESRIEJ-GWCFXTLKSA-N 0 1 350.768 2.817 20 10 FFCDMN O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cc(Br)ccc3[O-])C2)c1 ZINC000877521329 732379691 /nfs/dbraw/zinc/37/96/91/732379691.db2.gz WAKZPXMLWCALRW-UHFFFAOYSA-N 0 1 367.203 2.753 20 10 FFCDMN CN1CCn2nc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C1 ZINC000880820061 732970161 /nfs/dbraw/zinc/97/01/61/732970161.db2.gz KXZRFRUPKGDMAD-UHFFFAOYSA-N 0 1 370.240 2.663 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000781902604 738669725 /nfs/dbraw/zinc/66/97/25/738669725.db2.gz RBWGKXDRHYAEEV-OAHLLOKOSA-N 0 1 369.303 2.760 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCCS3)cc2F)CC1 ZINC000783047954 738775389 /nfs/dbraw/zinc/77/53/89/738775389.db2.gz XSZACXYFUPULIO-GOSISDBHSA-N 0 1 365.518 2.870 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)C)CC2)cc1F ZINC000731404474 734677295 /nfs/dbraw/zinc/67/72/95/734677295.db2.gz MRTZNBYGDKEYEE-UHFFFAOYSA-N 0 1 350.482 2.908 20 10 FFCDMN O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000893953548 734777406 /nfs/dbraw/zinc/77/74/06/734777406.db2.gz DUJISDZCDZILOS-ZDUSSCGKSA-N 0 1 357.223 2.537 20 10 FFCDMN CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Br)cc(F)c1O ZINC000894028764 734789036 /nfs/dbraw/zinc/78/90/36/734789036.db2.gz ZGYSNTXMBGSTAE-VIFPVBQESA-N 0 1 368.268 2.549 20 10 FFCDMN Cn1cnnc1[C@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000894075719 734797012 /nfs/dbraw/zinc/79/70/12/734797012.db2.gz IEHFMEHMAJNGRR-GFCCVEGCSA-N 0 1 355.211 2.759 20 10 FFCDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894747205 734909051 /nfs/dbraw/zinc/90/90/51/734909051.db2.gz IRWFWFNGGILBRF-SMDDNHRTSA-N 0 1 373.266 2.589 20 10 FFCDMN CSC1(CNC(=O)NCc2cccc(Cl)c2[O-])CC[NH+](C)CC1 ZINC000894951757 734942541 /nfs/dbraw/zinc/94/25/41/734942541.db2.gz VBFFHNCKBVWURT-UHFFFAOYSA-N 0 1 357.907 2.672 20 10 FFCDMN Cn1nccc1[C@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000895149505 734968725 /nfs/dbraw/zinc/96/87/25/734968725.db2.gz JDMKTTIFGWDRAW-CQSZACIVSA-N 0 1 370.222 2.601 20 10 FFCDMN O=C1OCCCN1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000897589542 735252567 /nfs/dbraw/zinc/25/25/67/735252567.db2.gz NMXCLWAHMXLQII-UHFFFAOYSA-N 0 1 369.259 2.961 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000787422125 739135550 /nfs/dbraw/zinc/13/55/50/739135550.db2.gz AIACUODFUOXTHP-JKOKRWQUSA-N 0 1 353.260 2.549 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000757653549 736416306 /nfs/dbraw/zinc/41/63/06/736416306.db2.gz JLKQAGUGIMOMTG-CMPLNLGQSA-N 0 1 362.289 2.773 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000758775370 736520302 /nfs/dbraw/zinc/52/03/02/736520302.db2.gz WJLGNXFXDSTEBC-UHFFFAOYSA-N 0 1 350.352 2.612 20 10 FFCDMN CCc1n[nH]cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761983373 736779271 /nfs/dbraw/zinc/77/92/71/736779271.db2.gz QWJHQAGYJPFADK-CQSZACIVSA-N 0 1 362.861 2.726 20 10 FFCDMN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000763560019 736948124 /nfs/dbraw/zinc/94/81/24/736948124.db2.gz YZUOXKGTNXCJPH-NHYWBVRUSA-N 0 1 358.276 2.983 20 10 FFCDMN CCCC[N@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764789520 737049917 /nfs/dbraw/zinc/04/99/17/737049917.db2.gz GSWVMIRIDFXOBF-UHFFFAOYSA-N 0 1 358.280 2.686 20 10 FFCDMN CCCC[N@@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764789520 737049919 /nfs/dbraw/zinc/04/99/19/737049919.db2.gz GSWVMIRIDFXOBF-UHFFFAOYSA-N 0 1 358.280 2.686 20 10 FFCDMN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000768342143 737414874 /nfs/dbraw/zinc/41/48/74/737414874.db2.gz PZSGCRUXRFSHNE-IBGZPJMESA-N 0 1 365.543 2.581 20 10 FFCDMN CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000768532752 737430020 /nfs/dbraw/zinc/43/00/20/737430020.db2.gz POXZZYHNVQNHPW-UHFFFAOYSA-N 0 1 362.829 2.504 20 10 FFCDMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2[O-])CN1 ZINC000770379991 737620805 /nfs/dbraw/zinc/62/08/05/737620805.db2.gz MHCXGVKSMZFAOL-JSGCOSHPSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCO1 ZINC000772486724 737817551 /nfs/dbraw/zinc/81/75/51/737817551.db2.gz GDQLCQSETYRYIW-NVXWUHKLSA-N 0 1 352.862 2.695 20 10 FFCDMN CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000775504460 738097567 /nfs/dbraw/zinc/09/75/67/738097567.db2.gz XYDIXQBAOVKJBT-INIZCTEOSA-N 0 1 374.934 2.595 20 10 FFCDMN CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775552914 738101111 /nfs/dbraw/zinc/10/11/11/738101111.db2.gz YYYIWEYFRPBFDK-CABCVRRESA-N 0 1 358.276 2.983 20 10 FFCDMN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000775820096 738128831 /nfs/dbraw/zinc/12/88/31/738128831.db2.gz SWFPDJFTEPGIDI-DGCLKSJQSA-N 0 1 352.406 2.690 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023966 739375508 /nfs/dbraw/zinc/37/55/08/739375508.db2.gz FUBKPTQBJBWTRK-UGSOOPFHSA-N 0 1 366.845 2.959 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000790410728 739449810 /nfs/dbraw/zinc/44/98/10/739449810.db2.gz BLPOPMRUILFIBL-UHFFFAOYSA-N 0 1 366.395 2.770 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000790415365 739450915 /nfs/dbraw/zinc/45/09/15/739450915.db2.gz FDSJPFQMGCGAKP-UHFFFAOYSA-N 0 1 364.398 2.779 20 10 FFCDMN COc1cc(Br)cc(CN(C)Cc2cnn(C)c2C)c1O ZINC000790937028 739516547 /nfs/dbraw/zinc/51/65/47/739516547.db2.gz CARHTFQMPUTJLS-UHFFFAOYSA-N 0 1 354.248 2.837 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)C(F)F)cc2F)CC1 ZINC000791571991 739580413 /nfs/dbraw/zinc/58/04/13/739580413.db2.gz DYCFPMFRJIFPBK-UHFFFAOYSA-N 0 1 357.420 2.875 20 10 FFCDMN C[C@H](c1ccccc1)N(CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000795969853 740086197 /nfs/dbraw/zinc/08/61/97/740086197.db2.gz RCKBDQNGXHPBTG-MRXNPFEDSA-N 0 1 362.495 2.847 20 10 FFCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C1(S(C)(=O)=O)CC1 ZINC000797071388 740209231 /nfs/dbraw/zinc/20/92/31/740209231.db2.gz SGKDVZWHFJCWMQ-VHSXEESVSA-N 0 1 362.289 2.771 20 10 FFCDMN Cn1c(Cl)ncc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135348 740943644 /nfs/dbraw/zinc/94/36/44/740943644.db2.gz KLHPYPFTOMWZHT-UHFFFAOYSA-N 0 1 370.645 2.564 20 10 FFCDMN O=S(=O)(CC[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000805135977 740944145 /nfs/dbraw/zinc/94/41/45/740944145.db2.gz XTBKTBMIWPKCKS-NSHDSACASA-N 0 1 354.255 2.688 20 10 FFCDMN C[C@@H](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)[S@](C)=O ZINC000805217549 740950460 /nfs/dbraw/zinc/95/04/60/740950460.db2.gz MQIWIWMQGGLURX-PPRQPISWSA-N 0 1 353.271 2.655 20 10 FFCDMN O=C(NCCCN1CCCC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806274349 741048949 /nfs/dbraw/zinc/04/89/49/741048949.db2.gz HCXIOWCWYICDFW-UHFFFAOYSA-N 0 1 360.241 2.511 20 10 FFCDMN CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809688239 741331596 /nfs/dbraw/zinc/33/15/96/741331596.db2.gz FOTPMBAGURIHJO-LBPRGKRZSA-N 0 1 367.298 2.555 20 10 FFCDMN CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809688239 741331599 /nfs/dbraw/zinc/33/15/99/741331599.db2.gz FOTPMBAGURIHJO-LBPRGKRZSA-N 0 1 367.298 2.555 20 10 FFCDMN CN(C)CC[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809730050 741337811 /nfs/dbraw/zinc/33/78/11/741337811.db2.gz YEEPYADLKCQHBS-UHFFFAOYSA-N 0 1 366.097 2.911 20 10 FFCDMN CN(C)CC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809730050 741337814 /nfs/dbraw/zinc/33/78/14/741337814.db2.gz YEEPYADLKCQHBS-UHFFFAOYSA-N 0 1 366.097 2.911 20 10 FFCDMN CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239025 741400128 /nfs/dbraw/zinc/40/01/28/741400128.db2.gz QCQLLAIJWHTNOX-ZDUSSCGKSA-N 0 1 351.390 2.886 20 10 FFCDMN COc1cc(C)cc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811786711 741558597 /nfs/dbraw/zinc/55/85/97/741558597.db2.gz VWVRNIUTULWVFR-GFCCVEGCSA-N 0 1 360.376 2.600 20 10 FFCDMN COc1cc(C)cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811786711 741558600 /nfs/dbraw/zinc/55/86/00/741558600.db2.gz VWVRNIUTULWVFR-GFCCVEGCSA-N 0 1 360.376 2.600 20 10 FFCDMN COc1cc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000811786604 741558635 /nfs/dbraw/zinc/55/86/35/741558635.db2.gz SQKMSQDZINQCTO-GFCCVEGCSA-N 0 1 360.376 2.600 20 10 FFCDMN COc1cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000811786604 741558638 /nfs/dbraw/zinc/55/86/38/741558638.db2.gz SQKMSQDZINQCTO-GFCCVEGCSA-N 0 1 360.376 2.600 20 10 FFCDMN C[C@@](O)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488707 741724576 /nfs/dbraw/zinc/72/45/76/741724576.db2.gz CSGXADZZBPKPRN-LPHOPBHVSA-N 0 1 366.889 2.677 20 10 FFCDMN Cc1nc(SCCC(=O)NCc2cc(Cl)cc(Cl)c2O)n[nH]1 ZINC000813684365 741748680 /nfs/dbraw/zinc/74/86/80/741748680.db2.gz PACUJLJSSCXDOS-UHFFFAOYSA-N 0 1 361.254 2.924 20 10 FFCDMN CN(Cc1ccccc1S(N)(=O)=O)Cc1c(O)ccc2ccccc21 ZINC000814233042 741804838 /nfs/dbraw/zinc/80/48/38/741804838.db2.gz YIERNOWABIMIIY-UHFFFAOYSA-N 0 1 356.447 2.825 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631656 742287113 /nfs/dbraw/zinc/28/71/13/742287113.db2.gz MGKSQKYITPCVAD-TVQRCGJNSA-N 0 1 358.232 2.848 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606269 743115460 /nfs/dbraw/zinc/11/54/60/743115460.db2.gz QKUSJXAWPIINLZ-KBPBESRZSA-N 0 1 354.878 2.717 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824606269 743115464 /nfs/dbraw/zinc/11/54/64/743115464.db2.gz QKUSJXAWPIINLZ-KBPBESRZSA-N 0 1 354.878 2.717 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000824702943 743131287 /nfs/dbraw/zinc/13/12/87/743131287.db2.gz USYZBAJSYBUGQC-INIZCTEOSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000824702943 743131297 /nfs/dbraw/zinc/13/12/97/743131297.db2.gz USYZBAJSYBUGQC-INIZCTEOSA-N 0 1 369.303 2.841 20 10 FFCDMN COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1[O-])CC2 ZINC000824817596 743154680 /nfs/dbraw/zinc/15/46/80/743154680.db2.gz CBFSNJCTDGGOTA-ZDUSSCGKSA-N 0 1 354.244 2.930 20 10 FFCDMN Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825326225 743248344 /nfs/dbraw/zinc/24/83/44/743248344.db2.gz KLAFKFNEBHSADU-ZFWWWQNUSA-N 0 1 366.259 2.898 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1Cl ZINC000825375879 743258192 /nfs/dbraw/zinc/25/81/92/743258192.db2.gz SGDNODMLRKICOO-UHFFFAOYSA-N 0 1 374.915 2.826 20 10 FFCDMN CCOc1ccc(CNCc2ccc(Cl)c(C(=O)OC)n2)c(O)c1 ZINC000826981494 743482796 /nfs/dbraw/zinc/48/27/96/743482796.db2.gz YQLPFEVFHKNLKD-UHFFFAOYSA-N 0 1 350.802 2.916 20 10 FFCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000835071562 745944529 /nfs/dbraw/zinc/94/45/29/745944529.db2.gz QFAVLCLPRBIUKS-NSHDSACASA-N 0 1 364.243 2.975 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(Cl)c1 ZINC000840947181 747238578 /nfs/dbraw/zinc/23/85/78/747238578.db2.gz OLTQOKBQWSXLPY-GOOCMWNKSA-N 0 1 365.905 2.527 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000840955691 747242146 /nfs/dbraw/zinc/24/21/46/747242146.db2.gz YGDRHRVWISUULP-UHFFFAOYSA-N 0 1 365.543 2.533 20 10 FFCDMN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@H](C)N ZINC000841076299 747264223 /nfs/dbraw/zinc/26/42/23/747264223.db2.gz CWLFPVCGRIIWMP-NKWVEPMBSA-N 0 1 352.070 2.743 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746619 747447599 /nfs/dbraw/zinc/44/75/99/747447599.db2.gz JDZKBLJJRFJASY-CYBMUJFWSA-N 0 1 368.886 2.983 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039190 747753768 /nfs/dbraw/zinc/75/37/68/747753768.db2.gz BOSBYUZUKRSTOP-BXKDBHETSA-N 0 1 358.232 2.706 20 10 FFCDMN COCC1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000845935153 748356341 /nfs/dbraw/zinc/35/63/41/748356341.db2.gz LHRXUHMSQGADMK-UHFFFAOYSA-N 0 1 368.282 2.935 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C1CC1 ZINC000846123215 748411816 /nfs/dbraw/zinc/41/18/16/748411816.db2.gz ONASBEMYHUMEGY-QWHCGFSZSA-N 0 1 354.790 2.585 20 10 FFCDMN CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@H](C)Cc1ccsc1 ZINC000846258005 748443162 /nfs/dbraw/zinc/44/31/62/748443162.db2.gz FXUOMGBENXOFDO-LLVKDONJSA-N 0 1 360.439 2.648 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(OCC(F)(F)F)nn2)c1 ZINC000846845170 748557032 /nfs/dbraw/zinc/55/70/32/748557032.db2.gz UICQQULFPSNARZ-SNVBAGLBSA-N 0 1 357.332 2.983 20 10 FFCDMN CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1C(C)=O)C1CCCCC1 ZINC000849309346 749097263 /nfs/dbraw/zinc/09/72/63/749097263.db2.gz GJOTZKRSMSDXJK-QGZVFWFLSA-N 0 1 355.456 2.932 20 10 FFCDMN Cn1ncc(C(F)(F)F)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000850070857 749295251 /nfs/dbraw/zinc/29/52/51/749295251.db2.gz WGEXDQOLUSKNQS-UHFFFAOYSA-N 0 1 354.376 2.565 20 10 FFCDMN O=S(=O)(CCNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000067449936 845506439 /nfs/dbraw/zinc/50/64/39/845506439.db2.gz GJABSNVYQUQJBT-UHFFFAOYSA-N 0 1 351.855 2.838 20 10 FFCDMN Cc1cc(C(=O)N2CCNCC2)c(C)n1-c1ccccc1Br ZINC000159401741 845685987 /nfs/dbraw/zinc/68/59/87/845685987.db2.gz VIXCKGOPSVMTAE-UHFFFAOYSA-N 0 1 362.271 2.902 20 10 FFCDMN C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000124737879 972356316 /nfs/dbraw/zinc/35/63/16/972356316.db2.gz GNPYDHUMFFMBQI-AWEZNQCLSA-N 0 1 354.454 2.616 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276032216 1013297751 /nfs/dbraw/zinc/29/77/51/1013297751.db2.gz TVEGBOBWCARZQZ-FQEVSTJZSA-N 0 1 364.461 2.772 20 10 FFCDMN C[C@H](Nc1nc(N)nc2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000825639150 1013303780 /nfs/dbraw/zinc/30/37/80/1013303780.db2.gz LKWUDRVILBOYLZ-AWEZNQCLSA-N 0 1 353.470 2.947 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(C4(C)OCCO4)ccn3)cc2)CC1 ZINC001167426880 963029568 /nfs/dbraw/zinc/02/95/68/963029568.db2.gz MTLORDPRRWCCHR-UHFFFAOYSA-N 0 1 368.481 2.665 20 10 FFCDMN CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000051688419 966524772 /nfs/dbraw/zinc/52/47/72/966524772.db2.gz MDMDSZYNPHOFRO-HUUCEWRRSA-N 0 1 363.477 2.540 20 10 FFCDMN CCNC(=O)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679180 966579436 /nfs/dbraw/zinc/57/94/36/966579436.db2.gz QDDQCYVHWRCLKN-HNNXBMFYSA-N 0 1 355.438 2.801 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000894970466 967132333 /nfs/dbraw/zinc/13/23/33/967132333.db2.gz YXDPBBJSETWTDD-CQSZACIVSA-N 0 1 372.412 2.786 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000066080426 969259669 /nfs/dbraw/zinc/25/96/69/969259669.db2.gz BNXKTPKWYWQKKT-CQSZACIVSA-N 0 1 370.449 2.810 20 10 FFCDMN CCOc1c(OC)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000728697052 970363296 /nfs/dbraw/zinc/36/32/96/970363296.db2.gz JFQQFQNTAVGGKP-XNTDXEJSSA-N 0 1 368.389 2.564 20 10 FFCDMN CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372906 975559768 /nfs/dbraw/zinc/55/97/68/975559768.db2.gz DADNBKASCKICJF-LBPRGKRZSA-N 0 1 361.667 2.909 20 10 FFCDMN CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372906 975559780 /nfs/dbraw/zinc/55/97/80/975559780.db2.gz DADNBKASCKICJF-LBPRGKRZSA-N 0 1 361.667 2.909 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@](C)(C(N)=O)C2)c(C)n1-c1cccc(F)c1 ZINC000796582451 1014400446 /nfs/dbraw/zinc/40/04/46/1014400446.db2.gz YGTZQVRZYDSBCD-FQEVSTJZSA-N 0 1 357.429 2.613 20 10 FFCDMN Cn1cc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CC23CCOCC3)cn1 ZINC000877564391 1014629006 /nfs/dbraw/zinc/62/90/06/1014629006.db2.gz ZQKZIDKANRJYME-HNNXBMFYSA-N 0 1 363.408 2.800 20 10 FFCDMN COc1ccc(N2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000054424302 980525763 /nfs/dbraw/zinc/52/57/63/980525763.db2.gz BZPLNECSFSBUJF-UHFFFAOYSA-N 0 1 357.429 2.985 20 10 FFCDMN O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001272047878 980699542 /nfs/dbraw/zinc/69/95/42/980699542.db2.gz DTGCOBORWLGCMX-OKILXGFUSA-N 0 1 360.454 2.530 20 10 FFCDMN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1[nH]nc2ccncc21 ZINC001152094864 1032101252 /nfs/dbraw/zinc/10/12/52/1032101252.db2.gz MUUAZEVRVNWEQG-AWYKYEBLSA-N 0 1 358.365 2.925 20 10 FFCDMN Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000911219334 982173471 /nfs/dbraw/zinc/17/34/71/982173471.db2.gz FIDOVPKQRUPPPC-UHFFFAOYSA-N 0 1 369.465 2.635 20 10 FFCDMN COc1cccc(CC(=O)N2CCN(Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164213778 984336249 /nfs/dbraw/zinc/33/62/49/984336249.db2.gz ZTTCBWFGYAVOHN-UHFFFAOYSA-N 0 1 368.477 2.905 20 10 FFCDMN 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ZINC000121804722 508422592 /nfs/dbraw/zinc/42/25/92/508422592.db2.gz BXKZUBLSDWTWKX-UHFFFAOYSA-N 0 1 353.422 2.881 20 10 FFCDMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000154109024 508719051 /nfs/dbraw/zinc/71/90/51/508719051.db2.gz GJHCZMBBDGRCDL-QGZVFWFLSA-N 0 1 374.506 2.648 20 10 FFCDMN FC(F)(F)CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000129460116 508729551 /nfs/dbraw/zinc/72/95/51/508729551.db2.gz CXXLDSITULYVHT-UHFFFAOYSA-N 0 1 357.420 2.593 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1[O-] ZINC000189162848 509443958 /nfs/dbraw/zinc/44/39/58/509443958.db2.gz UWYFKEDJIFHETP-GFCCVEGCSA-N 0 1 369.870 2.662 20 10 FFCDMN CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183068237 509576668 /nfs/dbraw/zinc/57/66/68/509576668.db2.gz WJVIEZMEPBDODZ-SFHVURJKSA-N 0 1 354.450 2.929 20 10 FFCDMN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000264956938 509796242 /nfs/dbraw/zinc/79/62/42/509796242.db2.gz MWTKDONBHWGEDM-UHFFFAOYSA-N 0 1 354.859 2.586 20 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1 358.461 2.974 20 10 FFCDMN CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000291131314 511160720 /nfs/dbraw/zinc/16/07/20/511160720.db2.gz IDKVLRFRXYGRFS-LLVKDONJSA-N 0 1 358.280 2.683 20 10 FFCDMN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000291131314 511160723 /nfs/dbraw/zinc/16/07/23/511160723.db2.gz IDKVLRFRXYGRFS-LLVKDONJSA-N 0 1 358.280 2.683 20 10 FFCDMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(F)c1[O-] ZINC000272246351 511478603 /nfs/dbraw/zinc/47/86/03/511478603.db2.gz HLZLEIAUJKJCEH-UHFFFAOYSA-N 0 1 367.442 2.836 20 10 FFCDMN C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439971 511526507 /nfs/dbraw/zinc/52/65/07/511526507.db2.gz MPWSWBSCARVTJP-XPTSAGLGSA-N 0 1 363.767 2.880 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363951346 511870061 /nfs/dbraw/zinc/87/00/61/511870061.db2.gz WHGRMHBYPJLHKS-NRFANRHFSA-N 0 1 371.525 2.889 20 10 FFCDMN COc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1OC ZINC000373719880 512472296 /nfs/dbraw/zinc/47/22/96/512472296.db2.gz MZZXOEXISLWCMN-TYILLQQXSA-N 0 1 351.443 2.568 20 10 FFCDMN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682943 512613869 /nfs/dbraw/zinc/61/38/69/512613869.db2.gz JAUIWYZBNJKYPJ-CKEIUWERSA-N 0 1 366.889 2.941 20 10 FFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000370273445 512852899 /nfs/dbraw/zinc/85/28/99/512852899.db2.gz WHAPMVITQGYNDA-UHFFFAOYSA-N 0 1 351.454 2.875 20 10 FFCDMN CCOCCN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436043062 513744066 /nfs/dbraw/zinc/74/40/66/513744066.db2.gz IJHLKALTTRRVQM-UHFFFAOYSA-N 0 1 357.498 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COCC2(C)C)C1 ZINC000456532747 515239306 /nfs/dbraw/zinc/23/93/06/515239306.db2.gz FHCVERUUCHEDFJ-FQEVSTJZSA-N 0 1 369.509 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)C2CCC2)C1 ZINC000617312099 520424798 /nfs/dbraw/zinc/42/47/98/520424798.db2.gz RNFBQSQUYDCGHP-LJQANCHMSA-N 0 1 369.509 2.685 20 10 FFCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548469 599956696 /nfs/dbraw/zinc/95/66/96/599956696.db2.gz HDPBIMIHOVSOBR-HNNXBMFYSA-N 0 1 366.211 2.593 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000739794418 600315389 /nfs/dbraw/zinc/31/53/89/600315389.db2.gz ZBOXALPIAVHHFT-MRXNPFEDSA-N 0 1 353.777 2.805 20 10 FFCDMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193911 604468269 /nfs/dbraw/zinc/46/82/69/604468269.db2.gz PGSYANBUPFJLKS-HXUWFJFHSA-N 0 1 370.424 2.674 20 10 FFCDMN CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833389860 604504506 /nfs/dbraw/zinc/50/45/06/604504506.db2.gz HCYVEHZVNCCISY-CQSZACIVSA-N 0 1 356.422 2.544 20 10 FFCDMN CN(C)c1ccc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1F ZINC000898398677 735355380 /nfs/dbraw/zinc/35/53/80/735355380.db2.gz JLQZTEMQQGBFEA-RUZDIDTESA-N 0 1 370.538 2.678 20 10 FFCDMN CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000036933205 727932144 /nfs/dbraw/zinc/93/21/44/727932144.db2.gz RIVDVTXRLKBLIJ-DOMZBBRYSA-N 0 1 357.292 2.916 20 10 FFCDMN O=C([C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000093014540 728473414 /nfs/dbraw/zinc/47/34/14/728473414.db2.gz DITKSPPTWOPVSP-HNNXBMFYSA-N 0 1 373.280 2.912 20 10 FFCDMN O=C([C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000093014540 728473415 /nfs/dbraw/zinc/47/34/15/728473415.db2.gz DITKSPPTWOPVSP-HNNXBMFYSA-N 0 1 373.280 2.912 20 10 FFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)CN1CCOCC1 ZINC000093769589 728477679 /nfs/dbraw/zinc/47/76/79/728477679.db2.gz UQNDUYBBFPBLJJ-UHFFFAOYSA-N 0 1 371.865 2.744 20 10 FFCDMN COc1cc(Br)cc(CN2CCC3(CC2)OCCO3)c1O ZINC000126066567 728692524 /nfs/dbraw/zinc/69/25/24/728692524.db2.gz CZPDGMOFJDTIAQ-UHFFFAOYSA-N 0 1 358.232 2.502 20 10 FFCDMN Cc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000857159352 730381788 /nfs/dbraw/zinc/38/17/88/730381788.db2.gz NKOLIWMLWWAEMM-OAHLLOKOSA-N 0 1 362.861 2.780 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1n1cccn1 ZINC000858170203 730418564 /nfs/dbraw/zinc/41/85/64/730418564.db2.gz HPUQJQZZVBWPHG-IMJJTQAJSA-N 0 1 366.259 2.860 20 10 FFCDMN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC000858172113 730418690 /nfs/dbraw/zinc/41/86/90/730418690.db2.gz JZKHOTSXEICQOZ-ZBEGNZNMSA-N 0 1 366.259 2.898 20 10 FFCDMN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2c([O-])cccc2Br)c[nH]1 ZINC000858290057 730421928 /nfs/dbraw/zinc/42/19/28/730421928.db2.gz PJCLHURIKDTORI-CJNGLKHVSA-N 0 1 365.227 2.875 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862358818 730691279 /nfs/dbraw/zinc/69/12/79/730691279.db2.gz WZJKJFFCZVRXIR-LLVKDONJSA-N 0 1 363.259 2.907 20 10 FFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862358818 730691281 /nfs/dbraw/zinc/69/12/81/730691281.db2.gz WZJKJFFCZVRXIR-LLVKDONJSA-N 0 1 363.259 2.907 20 10 FFCDMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866463593 731063194 /nfs/dbraw/zinc/06/31/94/731063194.db2.gz BXKMNTZIDAIAQG-ZIBATOQPSA-N 0 1 350.356 2.625 20 10 FFCDMN C[C@@H](NCc1c(I)cnn1C)c1ccccc1O ZINC000866630471 731081519 /nfs/dbraw/zinc/08/15/19/731081519.db2.gz QEQJYQMXPOIZIC-SECBINFHSA-N 0 1 357.195 2.581 20 10 FFCDMN COc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795797 731832460 /nfs/dbraw/zinc/83/24/60/731832460.db2.gz NZGNEHSTVUCHOZ-ZFWWWQNUSA-N 0 1 367.511 2.565 20 10 FFCDMN O=S1(=O)CCCN1c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876822844 732285445 /nfs/dbraw/zinc/28/54/45/732285445.db2.gz NTUIBQIQLPFYLR-UHFFFAOYSA-N 0 1 354.378 2.822 20 10 FFCDMN CS(=O)(=O)N1CCc2c1cccc2NCc1ccc(F)c(F)c1O ZINC000877335047 732345923 /nfs/dbraw/zinc/34/59/23/732345923.db2.gz HSFIOOCPNXMMOS-UHFFFAOYSA-N 0 1 354.378 2.605 20 10 FFCDMN OC1CCN(c2ccc(CN3CC[C@H](n4cc(Cl)cn4)C3)cc2)CC1 ZINC000877543019 732384376 /nfs/dbraw/zinc/38/43/76/732384376.db2.gz VENVDVMEYXVREZ-SFHVURJKSA-N 0 1 360.889 2.945 20 10 FFCDMN CCOC(=O)c1cc(CNCc2cc(Br)cc(C)c2O)on1 ZINC000877711683 732417420 /nfs/dbraw/zinc/41/74/20/732417420.db2.gz UZJKGAJRUKMABD-UHFFFAOYSA-N 0 1 369.215 2.918 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1[O-] ZINC000926947412 738671818 /nfs/dbraw/zinc/67/18/18/738671818.db2.gz JODPDOAIWPOWJN-TYRIBLQHSA-N 0 1 356.260 2.999 20 10 FFCDMN CN1CCN(c2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC1 ZINC000882880368 733306610 /nfs/dbraw/zinc/30/66/10/733306610.db2.gz OATUEYPUVUMDNC-UHFFFAOYSA-N 0 1 351.376 2.859 20 10 FFCDMN CCOCCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000927536481 738745942 /nfs/dbraw/zinc/74/59/42/738745942.db2.gz JLJKPFVPOWJVLM-UHFFFAOYSA-N 0 1 351.230 2.551 20 10 FFCDMN CO[C@H](C)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000782739713 738752938 /nfs/dbraw/zinc/75/29/38/738752938.db2.gz RQZFHOSVKADWOW-CJNGLKHVSA-N 0 1 354.878 2.941 20 10 FFCDMN O=C(NCc1cccc(Cl)c1[O-])C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000890759887 734336660 /nfs/dbraw/zinc/33/66/60/734336660.db2.gz UJKLJSMUAOBPGO-CQSZACIVSA-N 0 1 354.903 2.879 20 10 FFCDMN NCc1nc2c(s1)CCN(Cc1cc(Br)ccc1O)C2 ZINC000710240883 734364433 /nfs/dbraw/zinc/36/44/33/734364433.db2.gz RMTDTSYDPAQUTN-UHFFFAOYSA-N 0 1 354.273 2.628 20 10 FFCDMN COc1cccc(O)c1CNCC(=O)Nc1ccc(Br)cc1 ZINC000725849403 734396458 /nfs/dbraw/zinc/39/64/58/734396458.db2.gz GWGCXRNQNFSJLB-UHFFFAOYSA-N 0 1 365.227 2.892 20 10 FFCDMN CCC1([NH3+])CCN(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000892932357 734625184 /nfs/dbraw/zinc/62/51/84/734625184.db2.gz HJWIYUYVORQPEU-UHFFFAOYSA-N 0 1 356.264 2.568 20 10 FFCDMN Oc1ccccc1CN(C[C@H]1CCCO1)c1nc(Cl)nc2[nH]cnc21 ZINC000893018199 734638682 /nfs/dbraw/zinc/63/86/82/734638682.db2.gz GISLTAMJMOJVDI-GFCCVEGCSA-N 0 1 359.817 2.898 20 10 FFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893908918 734770931 /nfs/dbraw/zinc/77/09/31/734770931.db2.gz GHRVEADIFLMHKG-SNVBAGLBSA-N 0 1 356.394 2.511 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2[O-])CN1 ZINC000894093573 734800181 /nfs/dbraw/zinc/80/01/81/734800181.db2.gz FTQUYTPXIIAGIV-IINYFYTJSA-N 0 1 371.250 2.784 20 10 FFCDMN CCN(CC(=O)N1CCCCCC1)Cc1ccc(OC)c(OC)c1O ZINC000894432199 734857330 /nfs/dbraw/zinc/85/73/30/734857330.db2.gz JTDYWVCJMODZOM-UHFFFAOYSA-N 0 1 350.459 2.634 20 10 FFCDMN CC[C@](C)(C(=O)OC)N(Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000895010573 734952146 /nfs/dbraw/zinc/95/21/46/734952146.db2.gz ZMZQBQNDDQTIIW-LJQANCHMSA-N 0 1 351.443 2.963 20 10 FFCDMN CN(C)c1ccc(CN(C2CC2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744503 734960072 /nfs/dbraw/zinc/96/00/72/734960072.db2.gz SARDPGKIQDCUPQ-MRXNPFEDSA-N 0 1 355.404 2.880 20 10 FFCDMN O=S(=O)(C1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCCCC1 ZINC000897274181 735214184 /nfs/dbraw/zinc/21/41/84/735214184.db2.gz BIRNADLNTPAYMU-UHFFFAOYSA-N 0 1 372.918 2.826 20 10 FFCDMN O=S(=O)(C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)N1CCCCC1 ZINC000897274181 735214187 /nfs/dbraw/zinc/21/41/87/735214187.db2.gz BIRNADLNTPAYMU-UHFFFAOYSA-N 0 1 372.918 2.826 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000750047013 735768251 /nfs/dbraw/zinc/76/82/51/735768251.db2.gz LENXYSXLURRBTQ-HNNXBMFYSA-N 0 1 369.845 2.792 20 10 FFCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000750047013 735768255 /nfs/dbraw/zinc/76/82/55/735768255.db2.gz LENXYSXLURRBTQ-HNNXBMFYSA-N 0 1 369.845 2.792 20 10 FFCDMN COc1nn(C)cc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000903346061 736078397 /nfs/dbraw/zinc/07/83/97/736078397.db2.gz QCFCQZOZKXWGGM-VIFPVBQESA-N 0 1 370.247 2.756 20 10 FFCDMN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756445795 736331749 /nfs/dbraw/zinc/33/17/49/736331749.db2.gz PRHULQDAPSLFNV-ZDUSSCGKSA-N 0 1 368.886 2.816 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000756458706 736332839 /nfs/dbraw/zinc/33/28/39/736332839.db2.gz KDJVYPFTLHGAEG-DGCLKSJQSA-N 0 1 365.813 2.865 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(Br)cc1[O-] ZINC000756732072 736356210 /nfs/dbraw/zinc/35/62/10/736356210.db2.gz LNMHXAWQGQHAPO-XVMOGABASA-N 0 1 353.260 2.815 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000757706271 736421368 /nfs/dbraw/zinc/42/13/68/736421368.db2.gz VWDXGNHORHBHRP-IUODEOHRSA-N 0 1 370.490 2.731 20 10 FFCDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000761451857 736736527 /nfs/dbraw/zinc/73/65/27/736736527.db2.gz NZZNKCOGCGARDO-CYBMUJFWSA-N 0 1 365.524 2.537 20 10 FFCDMN O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000764977680 737069221 /nfs/dbraw/zinc/06/92/21/737069221.db2.gz QRZDSTNPZZFTIL-UHFFFAOYSA-N 0 1 366.870 2.875 20 10 FFCDMN O=C(NCc1cccc(Br)c1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000765755131 737154220 /nfs/dbraw/zinc/15/42/20/737154220.db2.gz GECRQPNPJVONSX-UHFFFAOYSA-N 0 1 367.155 2.699 20 10 FFCDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107972 737872033 /nfs/dbraw/zinc/87/20/33/737872033.db2.gz SBXZUDNTUKESQC-WCQYABFASA-N 0 1 350.356 2.626 20 10 FFCDMN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775493409 738096871 /nfs/dbraw/zinc/09/68/71/738096871.db2.gz ZSUBPGYRVLNVQA-OAHLLOKOSA-N 0 1 360.907 2.900 20 10 FFCDMN CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1[O-] ZINC000775513070 738098438 /nfs/dbraw/zinc/09/84/38/738098438.db2.gz NNHWDQSKJBTADY-ZDUSSCGKSA-N 0 1 364.243 2.890 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1[O-] ZINC000775525227 738099348 /nfs/dbraw/zinc/09/93/48/738099348.db2.gz FDVSZXSQYDDQLC-TZMCWYRMSA-N 0 1 350.850 2.839 20 10 FFCDMN C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775652488 738109552 /nfs/dbraw/zinc/10/95/52/738109552.db2.gz LRDREASBHSAMDY-HNNXBMFYSA-N 0 1 365.905 2.564 20 10 FFCDMN CCOC(=O)c1cnc(N2CCN(Cc3cccc(C)c3O)CC2)s1 ZINC000775724570 738117476 /nfs/dbraw/zinc/11/74/76/738117476.db2.gz HXDBTITWYKDQCX-UHFFFAOYSA-N 0 1 361.467 2.656 20 10 FFCDMN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000775720671 738117512 /nfs/dbraw/zinc/11/75/12/738117512.db2.gz OIQIKYZNJHAOCD-WMLDXEAASA-N 0 1 357.420 2.590 20 10 FFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741738 738120323 /nfs/dbraw/zinc/12/03/23/738120323.db2.gz PZANGJMADPRIBT-MEDUHNTESA-N 0 1 353.825 2.864 20 10 FFCDMN COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccsc1 ZINC000789580771 739369821 /nfs/dbraw/zinc/36/98/21/739369821.db2.gz KOEZHKRSVDTBHH-SFHVURJKSA-N 0 1 359.495 2.504 20 10 FFCDMN CCOC(=O)[C@@H](NCc1cccc(Br)c1O)C1CCOCC1 ZINC000789581839 739370341 /nfs/dbraw/zinc/37/03/41/739370341.db2.gz OOWRHBKRTIMKHK-AWEZNQCLSA-N 0 1 372.259 2.603 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000790411948 739450453 /nfs/dbraw/zinc/45/04/53/739450453.db2.gz XEKVVHIIDJHANX-UHFFFAOYSA-N 0 1 352.368 2.808 20 10 FFCDMN C[C@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303872 740129335 /nfs/dbraw/zinc/12/93/35/740129335.db2.gz FJYXRRZXWGGGGH-MRXNPFEDSA-N 0 1 358.507 2.772 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C(F)(F)F)c1 ZINC000798957895 740377518 /nfs/dbraw/zinc/37/75/18/740377518.db2.gz 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Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172183 511689737 /nfs/dbraw/zinc/68/97/37/511689737.db2.gz GQVPYPTTWJMFMT-HNNXBMFYSA-N 0 1 372.860 2.868 20 10 FFCDMN Cc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172183 511689738 /nfs/dbraw/zinc/68/97/38/511689738.db2.gz GQVPYPTTWJMFMT-HNNXBMFYSA-N 0 1 372.860 2.868 20 10 FFCDMN CCN1CCN(c2ccc(CN[C@H](C)c3cc(C)n(C)n3)cc2F)CC1 ZINC000282127133 512083194 /nfs/dbraw/zinc/08/31/94/512083194.db2.gz JVEWJHFPWXOUDD-MRXNPFEDSA-N 0 1 359.493 2.860 20 10 FFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000367696922 512620221 /nfs/dbraw/zinc/62/02/21/512620221.db2.gz JQZQSELBYVVJLP-WWTUQBGBSA-N 0 1 365.905 2.780 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2CCOCC2)C1 ZINC000435682844 513655897 /nfs/dbraw/zinc/65/58/97/513655897.db2.gz NLJXQROLAYUGFY-UHFFFAOYSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774890 523642490 /nfs/dbraw/zinc/64/24/90/523642490.db2.gz KFOMQZPAWWTXGR-CALCHBBNSA-N 0 1 367.493 2.513 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774890 523642501 /nfs/dbraw/zinc/64/25/01/523642501.db2.gz KFOMQZPAWWTXGR-CALCHBBNSA-N 0 1 367.493 2.513 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000740097684 600686462 /nfs/dbraw/zinc/68/64/62/600686462.db2.gz PXKWSTVPCLEJLF-KRWDZBQOSA-N 0 1 357.406 2.971 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000833306823 601632299 /nfs/dbraw/zinc/63/22/99/601632299.db2.gz AEKWBLSGYXDSQK-ROUUACIJSA-N 0 1 357.406 2.623 20 10 FFCDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000833193968 604467559 /nfs/dbraw/zinc/46/75/59/604467559.db2.gz UIMDLXRMNWLINU-FQEVSTJZSA-N 0 1 352.434 2.535 20 10 FFCDMN COC(=O)c1ccccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833717724 604636839 /nfs/dbraw/zinc/63/68/39/604636839.db2.gz URHACJBYKVAVGP-UHFFFAOYSA-N 0 1 363.797 2.919 20 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ZRECXFCYISEWBD-UHFFFAOYSA-N 0 1 350.482 2.955 20 10 FFCDMN C[C@H](OCC1CC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262470 728729302 /nfs/dbraw/zinc/72/93/02/728729302.db2.gz QHRGJXFYBBPJJJ-GUYCJALGSA-N 0 1 366.889 2.941 20 10 FFCDMN CCCCCS(=O)(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000184434430 729326769 /nfs/dbraw/zinc/32/67/69/729326769.db2.gz AWSHHPBEXVCTAU-UHFFFAOYSA-N 0 1 371.522 2.577 20 10 FFCDMN CCS(=O)(=O)C1CCN(Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000194355649 729508465 /nfs/dbraw/zinc/50/84/65/729508465.db2.gz PPSYFMSTJDKEFN-UHFFFAOYSA-N 0 1 363.479 2.953 20 10 FFCDMN CC1(C)CCN(Cc2cccc(Br)c2O)CCS1(=O)=O ZINC000195203829 729532274 /nfs/dbraw/zinc/53/22/74/729532274.db2.gz XZUIVLILLGNKIP-UHFFFAOYSA-N 0 1 362.289 2.554 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595181 730346554 /nfs/dbraw/zinc/34/65/54/730346554.db2.gz PSESZXAMRITKGS-KRWDZBQOSA-N 0 1 369.824 2.700 20 10 FFCDMN CN(C)c1cc(F)c(CNCCNC(=O)c2ccccc2F)cc1F ZINC000858104852 730416681 /nfs/dbraw/zinc/41/66/81/730416681.db2.gz AEDXIEPBZUQVPH-UHFFFAOYSA-N 0 1 351.372 2.690 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000858106858 730416779 /nfs/dbraw/zinc/41/67/79/730416779.db2.gz BKRPFPATGJUROY-LBPRGKRZSA-N 0 1 370.218 2.823 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000858116545 730416998 /nfs/dbraw/zinc/41/69/98/730416998.db2.gz NZMZLNYLYREEDN-VIFPVBQESA-N 0 1 353.182 2.881 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@]12CCCO2 ZINC000858156508 730418127 /nfs/dbraw/zinc/41/81/27/730418127.db2.gz JPHYLVQDMLKNJE-ARFHVFGLSA-N 0 1 356.260 2.971 20 10 FFCDMN CN(C)c1cc(F)c(CNCC2(S(C)(=O)=O)CCCCC2)cc1F ZINC000858193902 730419258 /nfs/dbraw/zinc/41/92/58/730419258.db2.gz OEOREBPXYJZJHQ-UHFFFAOYSA-N 0 1 360.470 2.868 20 10 FFCDMN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161902 738484319 /nfs/dbraw/zinc/48/43/19/738484319.db2.gz RMGNSBANPHFSMP-OLZOCXBDSA-N 0 1 351.401 2.736 20 10 FFCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC000862403403 730697717 /nfs/dbraw/zinc/69/77/17/730697717.db2.gz ZXWZKWMCUHVRSF-NWDGAFQWSA-N 0 1 354.244 2.786 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC000862403403 730697719 /nfs/dbraw/zinc/69/77/19/730697719.db2.gz ZXWZKWMCUHVRSF-NWDGAFQWSA-N 0 1 354.244 2.786 20 10 FFCDMN COC(=O)c1cnc(SC[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000871981410 731711087 /nfs/dbraw/zinc/71/10/87/731711087.db2.gz WCHQBWWVBHLLOJ-QGZVFWFLSA-N 0 1 364.492 2.659 20 10 FFCDMN CCN1CCN(c2ccc(CNc3cc(Cl)n[nH]c3=O)cc2F)CC1 ZINC000872447228 731769600 /nfs/dbraw/zinc/76/96/00/731769600.db2.gz GKJNZAUHAUXUCY-UHFFFAOYSA-N 0 1 365.840 2.729 20 10 FFCDMN Nc1c(F)cccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877581936 732393253 /nfs/dbraw/zinc/39/32/53/732393253.db2.gz AHTJMOLPOMSFAI-UHFFFAOYSA-N 0 1 351.372 2.813 20 10 FFCDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798774 732434590 /nfs/dbraw/zinc/43/45/90/732434590.db2.gz BYRWGFJBPOGPBT-QLFBSQMISA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798774 732434593 /nfs/dbraw/zinc/43/45/93/732434593.db2.gz BYRWGFJBPOGPBT-QLFBSQMISA-N 0 1 366.889 2.677 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878152508 732490144 /nfs/dbraw/zinc/49/01/44/732490144.db2.gz INXRLGFRDCFHHY-ZDUSSCGKSA-N 0 1 351.248 2.756 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878152508 732490146 /nfs/dbraw/zinc/49/01/46/732490146.db2.gz INXRLGFRDCFHHY-ZDUSSCGKSA-N 0 1 351.248 2.756 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000878872121 732606905 /nfs/dbraw/zinc/60/69/05/732606905.db2.gz ACCBDFLQMSXTFI-SJLPKXTDSA-N 0 1 351.418 2.534 20 10 FFCDMN Cc1cscc1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883654845 733418196 /nfs/dbraw/zinc/41/81/96/733418196.db2.gz OOIWTQGSCWRTCT-UHFFFAOYSA-N 0 1 358.511 2.808 20 10 FFCDMN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Br)ccc3[O-])O2)CO1 ZINC000886334630 733774926 /nfs/dbraw/zinc/77/49/26/733774926.db2.gz ZCMDSERGCHQWAY-WPGHFRTFSA-N 0 1 356.260 2.971 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000782976509 738769831 /nfs/dbraw/zinc/76/98/31/738769831.db2.gz IIZFZBMIECCAPO-CYBMUJFWSA-N 0 1 374.495 2.832 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(F)cc(F)c3O)CC2)c(C)o1 ZINC000893968101 734779563 /nfs/dbraw/zinc/77/95/63/734779563.db2.gz XLUZLNPEWNWXDV-UHFFFAOYSA-N 0 1 350.365 2.838 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000894089462 734799553 /nfs/dbraw/zinc/79/95/53/734799553.db2.gz SXYSUDBHISZGLB-UONOGXRCSA-N 0 1 360.223 2.674 20 10 FFCDMN CN(C)c1ccc(CNCc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894160653 734810958 /nfs/dbraw/zinc/81/09/58/734810958.db2.gz OOUKDHMSDPCTCX-UHFFFAOYSA-N 0 1 366.918 2.989 20 10 FFCDMN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(F)cc(F)c1O ZINC000895392311 734999442 /nfs/dbraw/zinc/99/94/42/734999442.db2.gz NZYGWNRCFCRVNS-INIZCTEOSA-N 0 1 351.349 2.553 20 10 FFCDMN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000740900029 735097537 /nfs/dbraw/zinc/09/75/37/735097537.db2.gz IWTRBRIFELYZLU-QWHCGFSZSA-N 0 1 362.289 2.600 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1F ZINC000896392582 735151975 /nfs/dbraw/zinc/15/19/75/735151975.db2.gz GUVKWNIDWBWHQN-UGSOOPFHSA-N 0 1 353.413 2.741 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395419 735153101 /nfs/dbraw/zinc/15/31/01/735153101.db2.gz IRXFJTCPLAPVIT-LRDDRELGSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)COC(=O)N1 ZINC000896395419 735153104 /nfs/dbraw/zinc/15/31/04/735153104.db2.gz IRXFJTCPLAPVIT-LRDDRELGSA-N 0 1 369.259 2.865 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921965 735188334 /nfs/dbraw/zinc/18/83/34/735188334.db2.gz VVIMSYDUQMMJKN-CQSZACIVSA-N 0 1 356.260 2.973 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261342 735212022 /nfs/dbraw/zinc/21/20/22/735212022.db2.gz FSDKORYBRADRIO-CQSZACIVSA-N 0 1 356.260 2.661 20 10 FFCDMN O=C(CSc1n[nH]c(=S)s1)NCCCSc1nccs1 ZINC000747393926 735561705 /nfs/dbraw/zinc/56/17/05/735561705.db2.gz JBOBXUCZCZGXKX-UHFFFAOYSA-N 0 1 364.568 2.674 20 10 FFCDMN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)nn1 ZINC000902785967 735991918 /nfs/dbraw/zinc/99/19/18/735991918.db2.gz JUFXKZYFAOFQSD-GFCCVEGCSA-N 0 1 351.401 2.736 20 10 FFCDMN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756357554 736324865 /nfs/dbraw/zinc/32/48/65/736324865.db2.gz DIUGCWLLHGHHSH-LBPRGKRZSA-N 0 1 374.298 2.582 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(Br)cc1[O-] ZINC000756430400 736330618 /nfs/dbraw/zinc/33/06/18/736330618.db2.gz HFVSJPNZIBCTKV-LLVKDONJSA-N 0 1 374.242 2.981 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907758723 736664555 /nfs/dbraw/zinc/66/45/55/736664555.db2.gz SROYDECYMFJCNZ-TZMCWYRMSA-N 0 1 353.260 2.788 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907758723 736664558 /nfs/dbraw/zinc/66/45/58/736664558.db2.gz SROYDECYMFJCNZ-TZMCWYRMSA-N 0 1 353.260 2.788 20 10 FFCDMN CCC[C@H](O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761982986 736779302 /nfs/dbraw/zinc/77/93/02/736779302.db2.gz OTMMUYZECJPHDD-CVEARBPZSA-N 0 1 354.878 2.677 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)[N-]OCC(F)F)C1 ZINC000768209191 737406911 /nfs/dbraw/zinc/40/69/11/737406911.db2.gz DNDSDWLBGLPAAU-UHFFFAOYSA-N 0 1 351.397 2.721 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCN(C(C)=O)CC1 ZINC000769539705 737540775 /nfs/dbraw/zinc/54/07/75/737540775.db2.gz LYXWCMUEPFNBQF-UHFFFAOYSA-N 0 1 355.276 2.988 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775663581 738110272 /nfs/dbraw/zinc/11/02/72/738110272.db2.gz OGYWIASKKRUXPV-NEPJUHHUSA-N 0 1 358.841 2.548 20 10 FFCDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(OC)c(OC)cc1O 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CCn1nncc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858440589 730425760 /nfs/dbraw/zinc/42/57/60/730425760.db2.gz YVAXKWWCZVCFQO-VIFPVBQESA-N 0 1 355.236 2.626 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862332121 730689097 /nfs/dbraw/zinc/68/90/97/730689097.db2.gz RTNKJOCIIBHFSG-RYUDHWBXSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862332121 730689098 /nfs/dbraw/zinc/68/90/98/730689098.db2.gz RTNKJOCIIBHFSG-RYUDHWBXSA-N 0 1 372.259 2.697 20 10 FFCDMN CO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000868357702 731285875 /nfs/dbraw/zinc/28/58/75/731285875.db2.gz DWVBUAFIYBPQMZ-LBPRGKRZSA-N 0 1 364.225 2.672 20 10 FFCDMN CCCOc1ccc(CNCc2cccc(S(=O)(=O)NC)c2)cc1C ZINC000873020107 731865028 /nfs/dbraw/zinc/86/50/28/731865028.db2.gz FLXZOPFQKFFBLN-UHFFFAOYSA-N 0 1 362.495 2.982 20 10 FFCDMN O=S(=O)(NC1CC1)c1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000877608699 732397849 /nfs/dbraw/zinc/39/78/49/732397849.db2.gz 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ZINC000892907091 734621546 /nfs/dbraw/zinc/62/15/46/734621546.db2.gz XDBANMBDPZKLFO-UHFFFAOYSA-N 0 1 363.506 2.671 20 10 FFCDMN C[C@H]1CN(Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@H](C)O1 ZINC000731869064 734702163 /nfs/dbraw/zinc/70/21/63/734702163.db2.gz KALCWPXNPVYZFN-KBPBESRZSA-N 0 1 360.479 2.993 20 10 FFCDMN C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(Br)cc(F)c1O ZINC000894040872 734791305 /nfs/dbraw/zinc/79/13/05/734791305.db2.gz XHUNSNYGSIRGCU-IXGDSRDXSA-N 0 1 350.253 2.635 20 10 FFCDMN COC(=O)c1c(CNCC[S@](=O)C(C)(C)C)c2cc(F)ccc2n1C ZINC000894283487 734830355 /nfs/dbraw/zinc/83/03/55/734830355.db2.gz GIBZVAWQNQBEIU-VWLOTQADSA-N 0 1 368.474 2.741 20 10 FFCDMN COC(=O)c1ccc(CNCc2cc(Br)cc(OC)c2O)o1 ZINC000734159746 734878426 /nfs/dbraw/zinc/87/84/26/734878426.db2.gz IKHCVFCWYBNDIY-UHFFFAOYSA-N 0 1 370.199 2.833 20 10 FFCDMN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894747202 734909307 /nfs/dbraw/zinc/90/93/07/734909307.db2.gz IRWFWFNGGILBRF-BXUZGUMPSA-N 0 1 373.266 2.589 20 10 FFCDMN Cc1cc(F)ncc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894843361 734926086 /nfs/dbraw/zinc/92/60/86/734926086.db2.gz MXGBCPFQGLPMIP-UHFFFAOYSA-N 0 1 351.372 2.934 20 10 FFCDMN CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894991778 734949370 /nfs/dbraw/zinc/94/93/70/734949370.db2.gz GBEYDWFNXJIHPX-VIFPVBQESA-N 0 1 361.667 2.718 20 10 FFCDMN CCOC(=O)c1ncc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895309738 734989791 /nfs/dbraw/zinc/98/97/91/734989791.db2.gz KEMSVMYRSYGLKF-CYBMUJFWSA-N 0 1 361.467 2.697 20 10 FFCDMN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(Br)cc2O)C1 ZINC000895837278 735062253 /nfs/dbraw/zinc/06/22/53/735062253.db2.gz KLEMYTOSNGJOAW-GFCCVEGCSA-N 0 1 354.166 2.901 20 10 FFCDMN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756365650 736325441 /nfs/dbraw/zinc/32/54/41/736325441.db2.gz YVKQSSBDIZRZGZ-LBPRGKRZSA-N 0 1 365.861 2.951 20 10 FFCDMN C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Br)cc1[O-] ZINC000756791824 736361570 /nfs/dbraw/zinc/36/15/70/736361570.db2.gz VGVBLVHISCUFIJ-JTQLQIEISA-N 0 1 351.248 2.862 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000757706579 736421364 /nfs/dbraw/zinc/42/13/64/736421364.db2.gz XBPYDJJKFRUBJI-GFCCVEGCSA-N 0 1 360.907 2.758 20 10 FFCDMN COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000758508783 736495721 /nfs/dbraw/zinc/49/57/21/736495721.db2.gz WZZSTKWACWOVMA-UHFFFAOYSA-N 0 1 369.870 2.756 20 10 FFCDMN CCOc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)n1 ZINC000763107356 736902546 /nfs/dbraw/zinc/90/25/46/736902546.db2.gz IBIHLNOSAVZZAT-SDNWHVSQSA-N 0 1 363.508 2.776 20 10 FFCDMN CN(Cc1cc(Br)cn1C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463466 737424487 /nfs/dbraw/zinc/42/44/87/737424487.db2.gz JNWRTJZLCVQWKP-OAHLLOKOSA-N 0 1 367.243 2.551 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000769381299 737522670 /nfs/dbraw/zinc/52/26/70/737522670.db2.gz NVIJECYTWBELHR-JOYOIKCWSA-N 0 1 354.712 2.841 20 10 FFCDMN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000769428942 737528792 /nfs/dbraw/zinc/52/87/92/737528792.db2.gz XEQQHFVUHPOZKC-CYBMUJFWSA-N 0 1 354.244 2.930 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769556695 737541939 /nfs/dbraw/zinc/54/19/39/737541939.db2.gz QUIRQGWBDVLLAK-UHFFFAOYSA-N 0 1 356.260 2.926 20 10 FFCDMN COC[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771055403 737689899 /nfs/dbraw/zinc/68/98/99/737689899.db2.gz CBKSOGDMISARFF-CJNGLKHVSA-N 0 1 354.878 2.799 20 10 FFCDMN CN1CCN(c2ccc(/C=C3/N=C(c4cccs4)OC3=O)cc2)CC1 ZINC000771519109 737732033 /nfs/dbraw/zinc/73/20/33/737732033.db2.gz CJLYFGQFMQBKSY-DTQAZKPQSA-N 0 1 353.447 2.844 20 10 FFCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Br)c1O ZINC000773767404 737933809 /nfs/dbraw/zinc/93/38/09/737933809.db2.gz KWTRFHACGCOWAE-SECBINFHSA-N 0 1 366.211 2.927 20 10 FFCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)o1 ZINC000774187162 737967323 /nfs/dbraw/zinc/96/73/23/737967323.db2.gz OTHZBRKMXZYPDL-OAHLLOKOSA-N 0 1 362.495 2.982 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000921446341 737985294 /nfs/dbraw/zinc/98/52/94/737985294.db2.gz GKRKHJUACUWXSV-CHWSQXEVSA-N 0 1 372.585 2.504 20 10 FFCDMN CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000775499661 738097405 /nfs/dbraw/zinc/09/74/05/738097405.db2.gz SWPZPRNTFPAYKK-SWLSCSKDSA-N 0 1 357.292 2.916 20 10 FFCDMN CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1[O-] ZINC000775522602 738099024 /nfs/dbraw/zinc/09/90/24/738099024.db2.gz VNJQYXHQZVDBFN-HZUKXOBISA-N 0 1 357.292 2.915 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023962 739375283 /nfs/dbraw/zinc/37/52/83/739375283.db2.gz FUBKPTQBJBWTRK-FZKQIMNGSA-N 0 1 366.845 2.959 20 10 FFCDMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792702938 739695998 /nfs/dbraw/zinc/69/59/98/739695998.db2.gz JVTYQHHLOYVEDW-UHFFFAOYSA-N 0 1 355.437 2.932 20 10 FFCDMN O=C(C[C@@H]1CCCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000793689157 739804959 /nfs/dbraw/zinc/80/49/59/739804959.db2.gz KMPGBVVFYADGNC-WMLDXEAASA-N 0 1 366.889 2.943 20 10 FFCDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798937477 740375476 /nfs/dbraw/zinc/37/54/76/740375476.db2.gz RICFRCLEICQYOA-CABCVRRESA-N 0 1 365.905 2.838 20 10 FFCDMN Cc1cc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc1C ZINC000800478757 740527702 /nfs/dbraw/zinc/52/77/02/740527702.db2.gz QVQUTVHGQMZKGT-HNNXBMFYSA-N 0 1 362.495 2.982 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCc2[nH]ncc21 ZINC000804740580 740902319 /nfs/dbraw/zinc/90/23/19/740902319.db2.gz JPSMRXYJERLXEP-LLVKDONJSA-N 0 1 350.216 2.614 20 10 FFCDMN CC(C)N1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805187173 740948716 /nfs/dbraw/zinc/94/87/16/740948716.db2.gz YXAPYYUNZGKFMZ-NSHDSACASA-N 0 1 360.241 2.508 20 10 FFCDMN Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)n1C ZINC000805371232 740964972 /nfs/dbraw/zinc/96/49/72/740964972.db2.gz XJWAAIUDNOSKFS-UHFFFAOYSA-N 0 1 370.236 2.706 20 10 FFCDMN CCOC1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107179 741110972 /nfs/dbraw/zinc/11/09/72/741110972.db2.gz GQIQJZVHSKQIEJ-PWZRNIHTSA-N 0 1 366.889 2.941 20 10 FFCDMN CCOC1CC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107179 741110975 /nfs/dbraw/zinc/11/09/75/741110975.db2.gz GQIQJZVHSKQIEJ-PWZRNIHTSA-N 0 1 366.889 2.941 20 10 FFCDMN O=C(CS(=O)(=O)C1CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835058 741162329 /nfs/dbraw/zinc/16/23/29/741162329.db2.gz VDTWLHKEBUYONJ-UHFFFAOYSA-N 0 1 366.266 2.673 20 10 FFCDMN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809695904 741332521 /nfs/dbraw/zinc/33/25/21/741332521.db2.gz AQLZPHJIWNVIMJ-WMLDXEAASA-N 0 1 357.420 2.590 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708034 741334820 /nfs/dbraw/zinc/33/48/20/741334820.db2.gz WEDWXBHVTMIULQ-CVEARBPZSA-N 0 1 368.861 2.915 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809708034 741334823 /nfs/dbraw/zinc/33/48/23/741334823.db2.gz WEDWXBHVTMIULQ-CVEARBPZSA-N 0 1 368.861 2.915 20 10 FFCDMN CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234695 741400087 /nfs/dbraw/zinc/40/00/87/741400087.db2.gz GXSUKBIGDFVFIJ-GFCCVEGCSA-N 0 1 356.348 2.605 20 10 FFCDMN CCOCc1nc([C@H](C)NCc2cccc(Br)c2O)no1 ZINC000811516115 741532659 /nfs/dbraw/zinc/53/26/59/741532659.db2.gz PWNODMCDNQZPLL-VIFPVBQESA-N 0 1 356.220 2.925 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(C2CCOCC2)nn1 ZINC000811529638 741534648 /nfs/dbraw/zinc/53/46/48/741534648.db2.gz OQZZUULYVZETKJ-UHFFFAOYSA-N 0 1 371.224 2.572 20 10 FFCDMN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)cc1[O-])CC2 ZINC000824855860 743165060 /nfs/dbraw/zinc/16/50/60/743165060.db2.gz QXQFEEQXIQFLEX-HOTGVXAUSA-N 0 1 370.287 2.907 20 10 FFCDMN CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])N1CCOCC1 ZINC000825070290 743205502 /nfs/dbraw/zinc/20/55/02/743205502.db2.gz ATOLCCZMMGKHQU-HNNXBMFYSA-N 0 1 357.292 2.601 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000826052277 743362052 /nfs/dbraw/zinc/36/20/52/743362052.db2.gz AYOHJEQBROXTDU-UHFFFAOYSA-N 0 1 368.886 2.894 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000826139988 743371715 /nfs/dbraw/zinc/37/17/15/743371715.db2.gz UKOVNQSJEVHVEL-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827851235 744990635 /nfs/dbraw/zinc/99/06/35/744990635.db2.gz ROJJIAXUZSETEL-YPMHNXCESA-N 0 1 360.376 2.680 20 10 FFCDMN CN(C)c1ccc(/C=C/CNCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000835037454 745936206 /nfs/dbraw/zinc/93/62/06/745936206.db2.gz POSOZCOYRWEMOK-RMKNXTFCSA-N 0 1 358.507 2.970 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000836693260 746286027 /nfs/dbraw/zinc/28/60/27/746286027.db2.gz YEQHXVAARJZIJX-WCQYABFASA-N 0 1 372.252 2.652 20 10 FFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2Cl)C1 ZINC000839758762 746912571 /nfs/dbraw/zinc/91/25/71/746912571.db2.gz YOAFJIRTDKAWMH-NORZTCDRSA-N 0 1 351.834 2.858 20 10 FFCDMN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938281 747234972 /nfs/dbraw/zinc/23/49/72/747234972.db2.gz APGUZSWXAZCLSE-LBPRGKRZSA-N 0 1 364.833 2.569 20 10 FFCDMN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938281 747234975 /nfs/dbraw/zinc/23/49/75/747234975.db2.gz APGUZSWXAZCLSE-LBPRGKRZSA-N 0 1 364.833 2.569 20 10 FFCDMN CC[N@@H+](CCSC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000842645251 747647237 /nfs/dbraw/zinc/64/72/37/747647237.db2.gz VFMMYOOFQZXNPR-UHFFFAOYSA-N 0 1 366.527 2.612 20 10 FFCDMN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C1CC1 ZINC000844478607 748039693 /nfs/dbraw/zinc/03/96/93/748039693.db2.gz RHOFSEUVVLGTJG-JKSUJKDBSA-N 0 1 351.830 2.879 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C1CC1 ZINC000844478607 748039700 /nfs/dbraw/zinc/03/97/00/748039700.db2.gz RHOFSEUVVLGTJG-JKSUJKDBSA-N 0 1 351.830 2.879 20 10 FFCDMN COc1c(O)c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1[N+](=O)[O-] ZINC000848639089 748974696 /nfs/dbraw/zinc/97/46/96/748974696.db2.gz FQSGJECUOOLTDS-ADEWGFFLSA-N 0 1 352.387 2.534 20 10 FFCDMN CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001275837328 1013066453 /nfs/dbraw/zinc/06/64/53/1013066453.db2.gz HUPVCWYZGZHPKE-ZDUSSCGKSA-N 0 1 364.873 2.838 20 10 FFCDMN COC(=O)c1c(CNCc2cc(N(C)C)ccn2)c2cc(F)ccc2n1C ZINC000896298320 971401044 /nfs/dbraw/zinc/40/10/44/971401044.db2.gz ITCNWNKYDZYGGU-UHFFFAOYSA-N 0 1 370.428 2.855 20 10 FFCDMN COC(=O)c1c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c2cc(F)ccc2n1C ZINC001593866831 955585136 /nfs/dbraw/zinc/58/51/36/955585136.db2.gz QOMWFYJYHRMSNS-YPMHNXCESA-N 0 1 362.401 2.647 20 10 FFCDMN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1O ZINC001275892658 1013147972 /nfs/dbraw/zinc/14/79/72/1013147972.db2.gz HXCABAKQVSNJBS-HFBAOOFYSA-N 0 1 350.846 2.588 20 10 FFCDMN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892658 1013147981 /nfs/dbraw/zinc/14/79/81/1013147981.db2.gz HXCABAKQVSNJBS-HFBAOOFYSA-N 0 1 350.846 2.588 20 10 FFCDMN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892658 1013147988 /nfs/dbraw/zinc/14/79/88/1013147988.db2.gz HXCABAKQVSNJBS-HFBAOOFYSA-N 0 1 350.846 2.588 20 10 FFCDMN O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276036912 1013300181 /nfs/dbraw/zinc/30/01/81/1013300181.db2.gz CCHFTMKUTFYLNB-HXUWFJFHSA-N 0 1 355.413 2.693 20 10 FFCDMN CN1CCN(c2ccc(CNc3ncnc4c3SCCC4)cc2)CC1 ZINC001167426974 963030104 /nfs/dbraw/zinc/03/01/04/963030104.db2.gz RMPZFUBGUNMFDK-UHFFFAOYSA-N 0 1 355.511 2.879 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(Cl)cn4ncnc34)cc2)CC1 ZINC001167431446 963093398 /nfs/dbraw/zinc/09/33/98/963093398.db2.gz ZYSXLHBEGZVNGH-UHFFFAOYSA-N 0 1 356.861 2.747 20 10 FFCDMN CN1CC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276077733 1013409871 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C[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1[O-] ZINC001327471322 1047911507 /nfs/dbraw/zinc/91/15/07/1047911507.db2.gz SJNSRLYRLWPSGF-JEOXALJRSA-N 0 1 373.840 2.951 20 10 FFCDMN C[C@@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1[O-] ZINC001327471328 1047912165 /nfs/dbraw/zinc/91/21/65/1047912165.db2.gz SJNSRLYRLWPSGF-WYRIXSBYSA-N 0 1 373.840 2.951 20 10 FFCDMN Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc2cncn21 ZINC001328432466 1048300883 /nfs/dbraw/zinc/30/08/83/1048300883.db2.gz QIBMKSRBIWMNNN-UHFFFAOYSA-N 0 1 364.449 2.534 20 10 FFCDMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737734572 1048657417 /nfs/dbraw/zinc/65/74/17/1048657417.db2.gz MDEJSYSKTPGHIR-HXUWFJFHSA-N 0 1 366.421 2.687 20 10 FFCDMN O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001334358981 1049387442 /nfs/dbraw/zinc/38/74/42/1049387442.db2.gz LVNVFCBWEKYQTR-UHFFFAOYSA-N 0 1 370.634 2.862 20 10 FFCDMN O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001334358981 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FFCDMN CCN1CCN(c2ccc(CNC(=O)NCCCC(F)F)cc2F)CC1 ZINC001335137378 1053231049 /nfs/dbraw/zinc/23/10/49/1053231049.db2.gz JWWNJPNDQRZRLV-UHFFFAOYSA-N 0 1 372.435 2.812 20 10 FFCDMN Cc1cc(CC(=O)NC[C@H](O)c2cnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001349185629 1055135992 /nfs/dbraw/zinc/13/59/92/1055135992.db2.gz RPCOPLYMZXXFLA-SFHVURJKSA-N 0 1 372.856 2.863 20 10 FFCDMN CCOc1ccc(N2CCN(C[C@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC001349648270 1055388570 /nfs/dbraw/zinc/38/85/70/1055388570.db2.gz IPRFRBNMOBUIIY-LJQANCHMSA-N 0 1 362.514 2.511 20 10 FFCDMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001352615317 1055652973 /nfs/dbraw/zinc/65/29/73/1055652973.db2.gz MQHZWBJQMRYOTO-UHFFFAOYSA-N 0 1 371.403 2.702 20 10 FFCDMN Cc1ccc(CNC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001200324387 1056356012 /nfs/dbraw/zinc/35/60/12/1056356012.db2.gz SVWNHPJBCXSNHM-UHFFFAOYSA-N 0 1 368.550 2.911 20 10 FFCDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC001445883386 1058451621 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C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nnc(C(F)(F)F)[n-]1 ZINC001474724566 1065591561 /nfs/dbraw/zinc/59/15/61/1065591561.db2.gz SRCYWJZSXLBNFE-NSHDSACASA-N 0 1 369.391 2.635 20 10 FFCDMN Cc1cc(CNC(=O)CCOCc2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC001577416134 1078354849 /nfs/dbraw/zinc/35/48/49/1078354849.db2.gz MXYHHSSLLBITDX-UHFFFAOYSA-N 0 1 367.453 2.744 20 10 FFCDMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001560651782 1076288184 /nfs/dbraw/zinc/28/81/84/1076288184.db2.gz UKDRUSBRMLPSJL-GASCZTMLSA-N 0 1 353.457 2.661 20 10 FFCDMN Cc1ccc(CNCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]2)c(O)c1 ZINC001560939576 1076312067 /nfs/dbraw/zinc/31/20/67/1076312067.db2.gz LACYPBZLTAWYIV-UHFFFAOYSA-N 0 1 374.441 2.511 20 10 FFCDMN CN(C)c1ccc(CNC(=O)N2CC(N(C)Cc3ccccc3)C2)cc1F ZINC001563811138 1076584504 /nfs/dbraw/zinc/58/45/04/1076584504.db2.gz YPVHWNBLAHWQKJ-UHFFFAOYSA-N 0 1 370.472 2.918 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001565273151 1076707984 /nfs/dbraw/zinc/70/79/84/1076707984.db2.gz ODIBJUMGLNZKSJ-ICSRJNTNSA-N 0 1 356.514 2.913 20 10 FFCDMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090852589 507938448 /nfs/dbraw/zinc/93/84/48/507938448.db2.gz XUBCEXDCCHUAPA-HNNXBMFYSA-N 0 1 358.461 2.974 20 10 FFCDMN CCN(Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000156850536 508486341 /nfs/dbraw/zinc/48/63/41/508486341.db2.gz WRHIBBXULFHWFW-UHFFFAOYSA-N 0 1 371.529 2.653 20 10 FFCDMN COCCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158050893 508649678 /nfs/dbraw/zinc/64/96/78/508649678.db2.gz KBYCMNNGBALSIU-MRXNPFEDSA-N 0 1 354.878 2.943 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3=C(C)OCCC3)cc2F)CC1 ZINC000132161036 509001296 /nfs/dbraw/zinc/00/12/96/509001296.db2.gz ZSXWQCDZGZOISX-UHFFFAOYSA-N 0 1 361.461 2.668 20 10 FFCDMN CCOc1ccc(O)c(CNCc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185762787 509343615 /nfs/dbraw/zinc/34/36/15/509343615.db2.gz CDBPMYWJPCLDLI-UHFFFAOYSA-N 0 1 354.410 2.778 20 10 FFCDMN COc1cc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000179436906 509441986 /nfs/dbraw/zinc/44/19/86/509441986.db2.gz JYMFPOMDCAEHOB-UHFFFAOYSA-N 0 1 370.449 2.758 20 10 FFCDMN COc1cc(O)c(CN2CCc3c(cccc3NC(C)=O)C2)cc1OC ZINC000179476266 509466372 /nfs/dbraw/zinc/46/63/72/509466372.db2.gz LDYZAAPHHKDEAE-UHFFFAOYSA-N 0 1 356.422 2.926 20 10 FFCDMN Cc1n[nH]c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC000265188273 509909746 /nfs/dbraw/zinc/90/97/46/509909746.db2.gz HACMDMILDDOQHW-RYUDHWBXSA-N 0 1 360.433 2.709 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC([N@H+](C)CCCO)CC2)c1[O-] ZINC000177182093 509922209 /nfs/dbraw/zinc/92/22/09/509922209.db2.gz WTBKENUBLLEXJP-UHFFFAOYSA-N 0 1 354.878 2.527 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+](C)CCCO)CC2)c1[O-] ZINC000177182093 509922216 /nfs/dbraw/zinc/92/22/16/509922216.db2.gz WTBKENUBLLEXJP-UHFFFAOYSA-N 0 1 354.878 2.527 20 10 FFCDMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777353 510836748 /nfs/dbraw/zinc/83/67/48/510836748.db2.gz NZWNYGSAEZOIRL-INIZCTEOSA-N 0 1 372.488 2.599 20 10 FFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000278576121 510999179 /nfs/dbraw/zinc/99/91/79/510999179.db2.gz GUASWAMBKRZFDU-GFCCVEGCSA-N 0 1 369.849 2.639 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282654785 511062612 /nfs/dbraw/zinc/06/26/12/511062612.db2.gz IEBHLCMOBMBCAF-BLLLJJGKSA-N 0 1 370.287 2.812 20 10 FFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290522010 511144354 /nfs/dbraw/zinc/14/43/54/511144354.db2.gz QCFLBEAFLSJIKQ-ZDUSSCGKSA-N 0 1 367.287 2.907 20 10 FFCDMN CC(C)c1nc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000298206478 511208825 /nfs/dbraw/zinc/20/88/25/511208825.db2.gz UIRRCTWWLSRQIK-HNNXBMFYSA-N 0 1 373.457 2.525 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231948 511691884 /nfs/dbraw/zinc/69/18/84/511691884.db2.gz FVOLKPZRJHYFRM-ZDUSSCGKSA-N 0 1 358.833 2.788 20 10 FFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231948 511691889 /nfs/dbraw/zinc/69/18/89/511691889.db2.gz FVOLKPZRJHYFRM-ZDUSSCGKSA-N 0 1 358.833 2.788 20 10 FFCDMN Fc1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)ccc1N1CCOCC1 ZINC000274838051 511959464 /nfs/dbraw/zinc/95/94/64/511959464.db2.gz LFPSIFFAXADWFM-LJQANCHMSA-N 0 1 367.428 2.660 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCCC(C)(F)F)cc2F)CC1 ZINC000297144429 512036743 /nfs/dbraw/zinc/03/67/43/512036743.db2.gz KABQQEWDFRMOCX-UHFFFAOYSA-N 0 1 372.435 2.812 20 10 FFCDMN COCC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435721976 513668336 /nfs/dbraw/zinc/66/83/36/513668336.db2.gz KZFYBOQQRITLRO-INIZCTEOSA-N 0 1 357.498 2.949 20 10 FFCDMN COCC(C)(C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435853894 513699779 /nfs/dbraw/zinc/69/97/79/513699779.db2.gz FCUPZYFLGREMAA-UHFFFAOYSA-N 0 1 357.498 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCOC2)C1 ZINC000435874968 513704951 /nfs/dbraw/zinc/70/49/51/513704951.db2.gz PMIVRKQAELNPPK-MRXNPFEDSA-N 0 1 355.482 2.655 20 10 FFCDMN COC[C@@H]1CCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000498830681 515080172 /nfs/dbraw/zinc/08/01/72/515080172.db2.gz QFQKXLFUKBSNQT-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CCN1CCOC ZINC000472237993 515181254 /nfs/dbraw/zinc/18/12/54/515181254.db2.gz FHWHOWSOKVBOCJ-KRWDZBQOSA-N 0 1 372.513 2.739 20 10 FFCDMN CO[C@@H](C)CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000553764185 517890646 /nfs/dbraw/zinc/89/06/46/517890646.db2.gz RROWFNQGPMRSDR-INIZCTEOSA-N 0 1 357.498 2.901 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527769457 517902758 /nfs/dbraw/zinc/90/27/58/517902758.db2.gz OWJALQUMEOPJTJ-KRWDZBQOSA-N 0 1 364.239 2.611 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CO[C@H](C)C2)C1 ZINC000566269926 519403689 /nfs/dbraw/zinc/40/36/89/519403689.db2.gz DFTZMZBGXGJDJA-CVEARBPZSA-N 0 1 355.482 2.701 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CO[C@@H](C)C2)C1 ZINC000566269933 519404772 /nfs/dbraw/zinc/40/47/72/519404772.db2.gz DFTZMZBGXGJDJA-JKSUJKDBSA-N 0 1 355.482 2.701 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCOCCF)C1 ZINC000621092244 522613214 /nfs/dbraw/zinc/61/32/14/522613214.db2.gz HXTDINOQCVAXLC-UHFFFAOYSA-N 0 1 361.461 2.510 20 10 FFCDMN CCCCN(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106584752 728511327 /nfs/dbraw/zinc/51/13/27/728511327.db2.gz CJLAQKKERJJBFA-UHFFFAOYSA-N 0 1 350.482 2.909 20 10 FFCDMN CN(C)c1ccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182317373 729275065 /nfs/dbraw/zinc/27/50/65/729275065.db2.gz OGPSXEAKCYIQRZ-LJQANCHMSA-N 0 1 365.543 2.579 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000858165740 730418456 /nfs/dbraw/zinc/41/84/56/730418456.db2.gz YWMKINGKXOXFMT-NOLJZWGESA-N 0 1 367.287 2.891 20 10 FFCDMN Cc1cc(Br)cc([C@H](C)N[C@@H](CO)c2ccnn2C)c1O ZINC000858434318 730425600 /nfs/dbraw/zinc/42/56/00/730425600.db2.gz FANOMCOGZBAIOS-GWCFXTLKSA-N 0 1 354.248 2.581 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1[O-] ZINC000858564300 730428937 /nfs/dbraw/zinc/42/89/37/730428937.db2.gz KBCWSRCHKJHBGA-YOEHRIQHSA-N 0 1 361.873 2.992 20 10 FFCDMN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161900 738484290 /nfs/dbraw/zinc/48/42/90/738484290.db2.gz RMGNSBANPHFSMP-CHWSQXEVSA-N 0 1 351.401 2.736 20 10 FFCDMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247767 730681449 /nfs/dbraw/zinc/68/14/49/730681449.db2.gz BVGHVLYZSBUWSH-MSOLQXFVSA-N 0 1 354.441 2.783 20 10 FFCDMN CNC(=O)OC[C@H]1CCCCN1Cc1c(O)cccc1Br ZINC000862368512 730692924 /nfs/dbraw/zinc/69/29/24/730692924.db2.gz IRKUDAMMCIYWBN-LLVKDONJSA-N 0 1 357.248 2.865 20 10 FFCDMN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862368512 730692926 /nfs/dbraw/zinc/69/29/26/730692926.db2.gz IRKUDAMMCIYWBN-LLVKDONJSA-N 0 1 357.248 2.865 20 10 FFCDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862368512 730692928 /nfs/dbraw/zinc/69/29/28/730692928.db2.gz IRKUDAMMCIYWBN-LLVKDONJSA-N 0 1 357.248 2.865 20 10 FFCDMN Cc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797416 731832928 /nfs/dbraw/zinc/83/29/28/731832928.db2.gz YTWGKMGFAWVIFP-GDBMZVCRSA-N 0 1 351.512 2.865 20 10 FFCDMN Cc1cccc(O)c1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000877424927 732359534 /nfs/dbraw/zinc/35/95/34/732359534.db2.gz TXUXTQLGYAXDMY-UHFFFAOYSA-N 0 1 358.389 2.893 20 10 FFCDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798775 732434274 /nfs/dbraw/zinc/43/42/74/732434274.db2.gz BYRWGFJBPOGPBT-RBSFLKMASA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798775 732434277 /nfs/dbraw/zinc/43/42/77/732434277.db2.gz BYRWGFJBPOGPBT-RBSFLKMASA-N 0 1 366.889 2.677 20 10 FFCDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965208 732810831 /nfs/dbraw/zinc/81/08/31/732810831.db2.gz AJIVFFPNTIZOJZ-RFAUZJTJSA-N 0 1 364.243 2.860 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000781910042 738671670 /nfs/dbraw/zinc/67/16/70/738671670.db2.gz UAQMFOWIBILTTJ-CQSZACIVSA-N 0 1 369.303 2.617 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CC2(C1)OCCO2 ZINC000927091692 738689993 /nfs/dbraw/zinc/68/99/93/738689993.db2.gz CPRODXMJOBOLMR-UHFFFAOYSA-N 0 1 361.225 2.651 20 10 FFCDMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894021716 734788080 /nfs/dbraw/zinc/78/80/80/734788080.db2.gz YSXICRAYKPUOCE-SECBINFHSA-N 0 1 361.667 2.766 20 10 FFCDMN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894535094 734875669 /nfs/dbraw/zinc/87/56/69/734875669.db2.gz WQCUVMKFDBBLPT-TZMCWYRMSA-N 0 1 372.234 2.864 20 10 FFCDMN COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894930716 734938807 /nfs/dbraw/zinc/93/88/07/734938807.db2.gz VOZZQXOURFDTFT-AWEZNQCLSA-N 0 1 364.667 2.639 20 10 FFCDMN CC(C)[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000895014994 734952505 /nfs/dbraw/zinc/95/25/05/734952505.db2.gz QWYOVRYXZMTECU-LBPRGKRZSA-N 0 1 359.239 2.783 20 10 FFCDMN C[C@]1(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)COC(=O)N1 ZINC000896471343 735166689 /nfs/dbraw/zinc/16/66/89/735166689.db2.gz HYWWIPYLKAILRH-MRXNPFEDSA-N 0 1 369.259 2.865 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cc(C3CC3)nn2C)ccc1O ZINC000901929579 735871396 /nfs/dbraw/zinc/87/13/96/735871396.db2.gz SIHSQZSGCRBUIL-UHFFFAOYSA-N 0 1 365.455 2.729 20 10 FFCDMN CCN1CCC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392121 736086913 /nfs/dbraw/zinc/08/69/13/736086913.db2.gz MRTAJBWFNHGKKY-RDTXWAMCSA-N 0 1 365.905 2.838 20 10 FFCDMN CN(C)Cc1ccsc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000756031889 736301062 /nfs/dbraw/zinc/30/10/62/736301062.db2.gz AXYBSNSMCIHSCJ-UHFFFAOYSA-N 0 1 359.495 2.576 20 10 FFCDMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000761996518 736780704 /nfs/dbraw/zinc/78/07/04/736780704.db2.gz WRUNAOCSWBAVTC-UHFFFAOYSA-N 0 1 367.423 2.997 20 10 FFCDMN C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792874 737050172 /nfs/dbraw/zinc/05/01/72/737050172.db2.gz YMQDAAKUKSQIQV-GFCCVEGCSA-N 0 1 370.291 2.828 20 10 FFCDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290082 737105636 /nfs/dbraw/zinc/10/56/36/737105636.db2.gz HECARVVTPWUALA-YGRLFVJLSA-N 0 1 352.784 2.750 20 10 FFCDMN CC(C)(C)OC(=O)[C@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000769467358 737532863 /nfs/dbraw/zinc/53/28/63/737532863.db2.gz VGAZKAHFQMBDDD-CYBMUJFWSA-N 0 1 372.259 2.697 20 10 FFCDMN CC(C)[C@](C)(O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771416462 737724804 /nfs/dbraw/zinc/72/48/04/737724804.db2.gz HGEURCRKXUPXBZ-QAPCUYQASA-N 0 1 354.878 2.533 20 10 FFCDMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000786723691 739072654 /nfs/dbraw/zinc/07/26/54/739072654.db2.gz HDAIDRKPTVYWKM-UHFFFAOYSA-N 0 1 355.387 2.666 20 10 FFCDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000787243702 739118243 /nfs/dbraw/zinc/11/82/43/739118243.db2.gz BWGMVXHVDYRKMH-CYBMUJFWSA-N 0 1 350.415 2.610 20 10 FFCDMN CCN(CC)c1ccc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000789768804 739386477 /nfs/dbraw/zinc/38/64/77/739386477.db2.gz IHSRTHTUOPBDBY-IBGZPJMESA-N 0 1 365.543 2.533 20 10 FFCDMN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c([O-])ccc(Cl)c1F ZINC000792170328 739645832 /nfs/dbraw/zinc/64/58/32/739645832.db2.gz RYYAUMHBKNDQMV-UHFFFAOYSA-N 0 1 362.788 2.913 20 10 FFCDMN COc1cc(NS(=O)(=O)c2ccccc2Br)ccc1O ZINC000797820321 740276386 /nfs/dbraw/zinc/27/63/86/740276386.db2.gz RGKCMYPLYTWFHT-UHFFFAOYSA-N 0 1 358.213 2.964 20 10 FFCDMN CC(C)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC000805143412 740945453 /nfs/dbraw/zinc/94/54/53/740945453.db2.gz JROFHNZBPZTBNL-LBPRGKRZSA-N 0 1 360.241 2.508 20 10 FFCDMN CCc1onc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513864 741138092 /nfs/dbraw/zinc/13/80/92/741138092.db2.gz XGMIGJMKHDEIFO-UHFFFAOYSA-N 0 1 372.208 2.813 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCC(=O)N2 ZINC000807837647 741162957 /nfs/dbraw/zinc/16/29/57/741162957.db2.gz ZFCPNBPHTKDFPI-UHFFFAOYSA-N 0 1 367.188 2.960 20 10 FFCDMN NC(=O)c1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000811846910 741567171 /nfs/dbraw/zinc/56/71/71/741567171.db2.gz TZDKPHFKORQNEB-UHFFFAOYSA-N 0 1 357.153 2.713 20 10 FFCDMN NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816561968 742042675 /nfs/dbraw/zinc/04/26/75/742042675.db2.gz SQNSEPBMJHDBJY-UHFFFAOYSA-N 0 1 356.447 2.525 20 10 FFCDMN CCn1nc(C)c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000823765229 742975766 /nfs/dbraw/zinc/97/57/66/742975766.db2.gz VVJGIWBBPNEUTQ-UHFFFAOYSA-N 0 1 358.229 2.618 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnsn2)C1 ZINC000823853336 742990760 /nfs/dbraw/zinc/99/07/60/742990760.db2.gz IKGKIUGNLMQFST-UHFFFAOYSA-N 0 1 355.467 2.898 20 10 FFCDMN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000824677162 743127260 /nfs/dbraw/zinc/12/72/60/743127260.db2.gz AKWXIELFUCCMRW-AAEUAGOBSA-N 0 1 368.421 2.780 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824827548 743156383 /nfs/dbraw/zinc/15/63/83/743156383.db2.gz FWPZKDRDAKHBOP-CMPLNLGQSA-N 0 1 362.779 2.888 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824827548 743156388 /nfs/dbraw/zinc/15/63/88/743156388.db2.gz FWPZKDRDAKHBOP-CMPLNLGQSA-N 0 1 362.779 2.888 20 10 FFCDMN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cccc(Br)c1O ZINC000824913523 743177499 /nfs/dbraw/zinc/17/74/99/743177499.db2.gz ABOZSPAXIAQJHN-LBPRGKRZSA-N 0 1 362.289 2.554 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825132273 743216298 /nfs/dbraw/zinc/21/62/98/743216298.db2.gz ZVPRMHWNZCZDIJ-UHFFFAOYSA-N 0 1 368.886 2.563 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000825131551 743216470 /nfs/dbraw/zinc/21/64/70/743216470.db2.gz PPSFHIGBKKPFEW-AWEZNQCLSA-N 0 1 370.218 2.823 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000825773784 743325222 /nfs/dbraw/zinc/32/52/22/743325222.db2.gz PLJDMAZCIGLNNS-KRWDZBQOSA-N 0 1 364.239 2.915 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000825885905 743338190 /nfs/dbraw/zinc/33/81/90/743338190.db2.gz LCLUEHBTQMQSOA-IUODEOHRSA-N 0 1 360.907 2.552 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@H]1n1cccn1 ZINC000826024107 743356906 /nfs/dbraw/zinc/35/69/06/743356906.db2.gz RHTUXUWCMBYODV-FVQBIDKESA-N 0 1 366.259 2.860 20 10 FFCDMN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826535418 743391472 /nfs/dbraw/zinc/39/14/72/743391472.db2.gz WMUVMAGEPRCWFQ-OAHLLOKOSA-N 0 1 367.287 2.891 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827519127 743592992 /nfs/dbraw/zinc/59/29/92/743592992.db2.gz KBLUOEKLGCGMLM-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827519127 743592998 /nfs/dbraw/zinc/59/29/98/743592998.db2.gz KBLUOEKLGCGMLM-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN CCOc1ccc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)nn1 ZINC000827798777 744980225 /nfs/dbraw/zinc/98/02/25/744980225.db2.gz IWZDHPIOYMCINJ-UHFFFAOYSA-N 0 1 366.824 2.696 20 10 FFCDMN C[C@H]1C[C@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000831543297 745544738 /nfs/dbraw/zinc/54/47/38/745544738.db2.gz DKJXMZZJIXWEIH-GZMMTYOYSA-N 0 1 354.255 2.686 20 10 FFCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCN1C(=O)c1cscn1 ZINC000835056050 745941111 /nfs/dbraw/zinc/94/11/11/745941111.db2.gz AORBDUIHJZHZHX-JTQLQIEISA-N 0 1 369.849 2.988 20 10 FFCDMN CCC[C@H]1CNCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706008 747436883 /nfs/dbraw/zinc/43/68/83/747436883.db2.gz BIMFCGWDOLZOGF-SFHVURJKSA-N 0 1 362.543 2.523 20 10 FFCDMN COc1c([O-])c(C[NH+]2CCC(OC)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000841890994 747482538 /nfs/dbraw/zinc/48/25/38/747482538.db2.gz LTNHROHYKMEWTG-UHFFFAOYSA-N 0 1 364.320 2.852 20 10 FFCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843433320 747836848 /nfs/dbraw/zinc/83/68/48/747836848.db2.gz XLAFYBSWGPNKKT-ZDUSSCGKSA-N 0 1 354.731 2.685 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000846206927 748430509 /nfs/dbraw/zinc/43/05/09/748430509.db2.gz VVHGRADFWJJAHL-MNOVXSKESA-N 0 1 353.260 2.816 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)c2cccc(Cl)c2)cc1 ZINC000846697700 748525263 /nfs/dbraw/zinc/52/52/63/748525263.db2.gz UXLKAJSUYYMGSX-SFHVURJKSA-N 0 1 361.873 2.943 20 10 FFCDMN CCN1C[C@H](C[N@H+](CC)Cc2cc(Br)ccc2[O-])OC1=O ZINC000846808025 748549060 /nfs/dbraw/zinc/54/90/60/748549060.db2.gz OYBBTIPIEVNDBG-ZDUSSCGKSA-N 0 1 357.248 2.817 20 10 FFCDMN CCN1C[C@H](C[N@@H+](CC)Cc2cc(Br)ccc2[O-])OC1=O ZINC000846808025 748549063 /nfs/dbraw/zinc/54/90/63/748549063.db2.gz OYBBTIPIEVNDBG-ZDUSSCGKSA-N 0 1 357.248 2.817 20 10 FFCDMN CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])CC1=O ZINC000850395669 749358691 /nfs/dbraw/zinc/35/86/91/749358691.db2.gz BNMOHNPAMGTKQL-LLVKDONJSA-N 0 1 355.276 2.891 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)C3=NC(=O)N(C)C3)cc2Cl)C1 ZINC000854343693 750288037 /nfs/dbraw/zinc/28/80/37/750288037.db2.gz IQGUPITUDUNXEV-GFCCVEGCSA-N 0 1 362.861 2.945 20 10 FFCDMN CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1=O ZINC001275892572 1013147837 /nfs/dbraw/zinc/14/78/37/1013147837.db2.gz FLLOFEVOROXPGI-ZDUSSCGKSA-N 0 1 364.873 2.838 20 10 FFCDMN CCc1cccc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)n1 ZINC001125976304 972345745 /nfs/dbraw/zinc/34/57/45/972345745.db2.gz VAPNRWOZEPCQLP-UHFFFAOYSA-N 0 1 370.472 2.855 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)CCO)C1 ZINC000652959131 960421640 /nfs/dbraw/zinc/42/16/40/960421640.db2.gz ZCGMMDFZJLUHBY-INIZCTEOSA-N 0 1 357.498 2.637 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)CO)C1 ZINC000683489617 960786693 /nfs/dbraw/zinc/78/66/93/960786693.db2.gz JGKLJNQYOQJEBL-UHFFFAOYSA-N 0 1 357.498 2.543 20 10 FFCDMN CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951452 1013221020 /nfs/dbraw/zinc/22/10/20/1013221020.db2.gz JUGMNYDQXFGNCO-HRAATJIYSA-N 0 1 357.498 2.605 20 10 FFCDMN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275952601 1013222152 /nfs/dbraw/zinc/22/21/52/1013222152.db2.gz YVWVTJKSLYFLPH-HXPMCKFVSA-N 0 1 366.408 2.810 20 10 FFCDMN O=C1N(CC2CCOCC2)CC[C@@]12CCCN2Cc1cc(F)ccc1O ZINC001276064591 1013387650 /nfs/dbraw/zinc/38/76/50/1013387650.db2.gz UTGRBPPMEGVZIR-FQEVSTJZSA-N 0 1 362.445 2.525 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccn(C4CCC4)c(=O)c3)cc2)CC1 ZINC001167436882 963262971 /nfs/dbraw/zinc/26/29/71/963262971.db2.gz DWJVRTLZWUZESL-UHFFFAOYSA-N 0 1 352.482 2.937 20 10 FFCDMN COc1nc2[nH]ccc2cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167436900 963263478 /nfs/dbraw/zinc/26/34/78/963263478.db2.gz FQSQWAWEABIDNL-UHFFFAOYSA-N 0 1 351.454 2.887 20 10 FFCDMN CCOc1nc(Cl)ncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167436853 963263898 /nfs/dbraw/zinc/26/38/98/963263898.db2.gz CTOFYUOXWWYUAB-UHFFFAOYSA-N 0 1 361.877 2.893 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc(=O)n(C)c4ccccc34)cc2)CC1 ZINC001167437658 963283027 /nfs/dbraw/zinc/28/30/27/963283027.db2.gz XUQLMCAKXCLHDD-UHFFFAOYSA-N 0 1 362.477 2.902 20 10 FFCDMN CN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001276085414 1013431802 /nfs/dbraw/zinc/43/18/02/1013431802.db2.gz ICIQSCZVKGWOKD-LAUBAEHRSA-N 0 1 354.425 2.979 20 10 FFCDMN COc1cc(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000179476001 968804862 /nfs/dbraw/zinc/80/48/62/968804862.db2.gz CALKCLHJRXUXHX-UHFFFAOYSA-N 0 1 373.409 2.640 20 10 FFCDMN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1nnc2n1CCCCC2 ZINC000892794570 970296885 /nfs/dbraw/zinc/29/68/85/970296885.db2.gz DLXVSFPRDATXLK-AWEZNQCLSA-N 0 1 360.458 2.968 20 10 FFCDMN COc1ccc(CCCN(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000125888888 976040180 /nfs/dbraw/zinc/04/01/80/976040180.db2.gz OAKYYKQWXPJMNN-UHFFFAOYSA-N 0 1 369.509 2.942 20 10 FFCDMN Cc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(O)c1 ZINC000876557674 1014303617 /nfs/dbraw/zinc/30/36/17/1014303617.db2.gz KJXGXJZQXNUJLT-UHFFFAOYSA-N 0 1 364.449 2.667 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877519119 1014609815 /nfs/dbraw/zinc/60/98/15/1014609815.db2.gz IDZIUKMQKJLOIS-KBPBESRZSA-N 0 1 370.396 2.540 20 10 FFCDMN COc1ccc(N2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c(OC)c1 ZINC000877708183 1014691960 /nfs/dbraw/zinc/69/19/60/1014691960.db2.gz CQLAOABICDTNRD-UHFFFAOYSA-N 0 1 369.465 2.984 20 10 FFCDMN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142512601 982474316 /nfs/dbraw/zinc/47/43/16/982474316.db2.gz FQMXGCKEACAIOM-IYBDPMFKSA-N 0 1 358.388 2.874 20 10 FFCDMN COC(=O)c1cc(C2CN(Cc3ccc(N4CCCCC4)cc3)C2)[nH]n1 ZINC000898007352 982578456 /nfs/dbraw/zinc/57/84/56/982578456.db2.gz DDHROBMRLBXNCG-UHFFFAOYSA-N 0 1 354.454 2.786 20 10 FFCDMN COc1cc(N2CCN(C[C@@H](O)CCC(C)C)CC2)cc(OC)c1OC ZINC000796448749 1014960729 /nfs/dbraw/zinc/96/07/29/1014960729.db2.gz HNOCRVUMCCFDRP-KRWDZBQOSA-N 0 1 366.502 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000165094922 984434491 /nfs/dbraw/zinc/43/44/91/984434491.db2.gz IQIGWHVTYKJJDM-HNNXBMFYSA-N 0 1 370.449 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000165094922 984434492 /nfs/dbraw/zinc/43/44/92/984434492.db2.gz IQIGWHVTYKJJDM-HNNXBMFYSA-N 0 1 370.449 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000165094922 984434493 /nfs/dbraw/zinc/43/44/93/984434493.db2.gz IQIGWHVTYKJJDM-HNNXBMFYSA-N 0 1 370.449 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000165094814 984434509 /nfs/dbraw/zinc/43/45/09/984434509.db2.gz IQIGWHVTYKJJDM-OAHLLOKOSA-N 0 1 370.449 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000165094814 984434510 /nfs/dbraw/zinc/43/45/10/984434510.db2.gz IQIGWHVTYKJJDM-OAHLLOKOSA-N 0 1 370.449 2.632 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000165094814 984434513 /nfs/dbraw/zinc/43/45/13/984434513.db2.gz IQIGWHVTYKJJDM-OAHLLOKOSA-N 0 1 370.449 2.632 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC=CCC3)CC2)cc1 ZINC000172438869 985551330 /nfs/dbraw/zinc/55/13/30/985551330.db2.gz SXKIBJYIHPWDGA-GOSISDBHSA-N 0 1 372.513 2.615 20 10 FFCDMN C[C@@]1(O)CCCC[N@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232975267 986349598 /nfs/dbraw/zinc/34/95/98/986349598.db2.gz YJICOBYGVLWKGS-CQSZACIVSA-N 0 1 361.223 2.734 20 10 FFCDMN C[C@@]1(O)CCCC[N@@H+](Cc2ccc(I)cc2[O-])C1 ZINC001232975267 986349611 /nfs/dbraw/zinc/34/96/11/986349611.db2.gz YJICOBYGVLWKGS-CQSZACIVSA-N 0 1 361.223 2.734 20 10 FFCDMN C[C@@]1(CO)CC(F)(F)CN1Cc1cc(F)cc(Br)c1O ZINC001235298225 988656463 /nfs/dbraw/zinc/65/64/63/988656463.db2.gz QDSDCBIBRMVOCD-LBPRGKRZSA-N 0 1 354.166 2.886 20 10 FFCDMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N(CC)CC)c(F)c2)n[nH]1 ZINC000763011524 988969447 /nfs/dbraw/zinc/96/94/47/988969447.db2.gz AOOZKGQJJNFULL-GFCCVEGCSA-N 0 1 362.453 2.913 20 10 FFCDMN CN1CCN(c2ccc(CNc3cccc4c3OCC[C@H]4O)cc2)CC1 ZINC000766087668 990005083 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FFCDMN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1c(F)ccc(O)c1O ZINC001306822615 1052193516 /nfs/dbraw/zinc/19/35/16/1052193516.db2.gz PWFLFOMNOSIDKF-UHFFFAOYSA-N 0 1 365.324 2.618 20 10 FFCDMN OCc1csc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC001308239451 1052436140 /nfs/dbraw/zinc/43/61/40/1052436140.db2.gz NWZFNJNIHXWASP-UHFFFAOYSA-N 0 1 369.437 2.995 20 10 FFCDMN [O-]c1cc(F)c(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC001308533384 1052465926 /nfs/dbraw/zinc/46/59/26/1052465926.db2.gz VKNKWURSMGGXHH-UHFFFAOYSA-N 0 1 366.383 2.978 20 10 FFCDMN CN(Cc1cc(-c2ccccn2)n[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001308646091 1052481769 /nfs/dbraw/zinc/48/17/69/1052481769.db2.gz ZXZRHDUJUMDIRA-UHFFFAOYSA-N 0 1 363.465 2.940 20 10 FFCDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001308691275 1052487293 /nfs/dbraw/zinc/48/72/93/1052487293.db2.gz AKESTVIESOXXKC-WLTAIBSBSA-N 0 1 373.678 2.894 20 10 FFCDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001308691275 1052487294 /nfs/dbraw/zinc/48/72/94/1052487294.db2.gz AKESTVIESOXXKC-WLTAIBSBSA-N 0 1 373.678 2.894 20 10 FFCDMN Cn1c(=O)oc2ccc(C[NH2+]Cc3ccc(Br)cc3[O-])cc21 ZINC001308894854 1052513696 /nfs/dbraw/zinc/51/36/96/1052513696.db2.gz KDYGCRQFAXJOFQ-UHFFFAOYSA-N 0 1 363.211 2.889 20 10 FFCDMN CN(C)S(=O)(=O)c1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001344077299 1052582828 /nfs/dbraw/zinc/58/28/28/1052582828.db2.gz XTEZKUHNKPGMIV-UHFFFAOYSA-N 0 1 373.522 2.827 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3nccs3)cc2F)CC1 ZINC001345719311 1052586783 /nfs/dbraw/zinc/58/67/83/1052586783.db2.gz ZAWBCTYOFTXYCV-AATRIKPKSA-N 0 1 374.485 2.754 20 10 FFCDMN Cc1cc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c(C)n1-c1ccccc1C ZINC001347976287 1054519445 /nfs/dbraw/zinc/51/94/45/1054519445.db2.gz XRNNEDRCSQNUGM-HNNXBMFYSA-N 0 1 350.426 2.545 20 10 FFCDMN C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000849230059 1056804992 /nfs/dbraw/zinc/80/49/92/1056804992.db2.gz AASZQPUPBNFQMM-LAUBAEHRSA-N 0 1 367.493 2.785 20 10 FFCDMN C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001545632432 1071823136 /nfs/dbraw/zinc/82/31/36/1071823136.db2.gz LTOFCXSICBMPIY-XGWLTEMNSA-N 0 1 352.862 2.551 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC001449456894 1058908274 /nfs/dbraw/zinc/90/82/74/1058908274.db2.gz PFRZRKKTLPTBCO-HNNXBMFYSA-N 0 1 363.381 2.529 20 10 FFCDMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CCC2)c(C)n1-c1cccc(C)c1 ZINC001455354734 1059769466 /nfs/dbraw/zinc/76/94/66/1059769466.db2.gz ZIOKWUBYOYPEDY-UHFFFAOYSA-N 0 1 350.426 2.725 20 10 FFCDMN CCOc1ccc(N2CCN(C(=O)[C@@H]3c4cn[nH]c4CC[C@@H]3C)CC2)cc1 ZINC001466210331 1063364351 /nfs/dbraw/zinc/36/43/51/1063364351.db2.gz FKIODFVRGOMSDJ-YWZLYKJASA-N 0 1 368.481 2.823 20 10 FFCDMN Cc1cc(CCNC(=O)[C@@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001470848984 1064468009 /nfs/dbraw/zinc/46/80/09/1064468009.db2.gz AGDWPMJCFWHSEN-KRWDZBQOSA-N 0 1 369.509 2.721 20 10 FFCDMN C[C@H](NC(=O)[C@H](N)[C@H](C)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001576220597 1078207709 /nfs/dbraw/zinc/20/77/09/1078207709.db2.gz LCEBULMTAWSJHK-TWOQFEAHSA-N 0 1 355.482 2.862 20 10 FFCDMN COc1cc(C)cc(CNCc2cc(S(C)(=O)=O)ccc2F)c1O ZINC001474472103 1065531459 /nfs/dbraw/zinc/53/14/59/1065531459.db2.gz CZFSXLFRFNWPOW-UHFFFAOYSA-N 0 1 353.415 2.542 20 10 FFCDMN Cc1cc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n[nH]1 ZINC001583918988 1079283942 /nfs/dbraw/zinc/28/39/42/1079283942.db2.gz KCYOJDAYJMOEBI-HXUWFJFHSA-N 0 1 370.497 2.925 20 10 FFCDMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1cccc(O)c1O ZINC001556543035 1075751819 /nfs/dbraw/zinc/75/18/19/1075751819.db2.gz JWNADHZLUAYJJJ-UHFFFAOYSA-N 0 1 358.785 2.509 20 10 FFCDMN Cc1cc(C(=O)NCc2n[nH]c(=O)n2C)c(C)n1-c1cccc(Cl)c1 ZINC001557232658 1075825014 /nfs/dbraw/zinc/82/50/14/1075825014.db2.gz UTVQXWQGZWNZKR-UHFFFAOYSA-N 0 1 359.817 2.512 20 10 FFCDMN CCc1cccc(CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1O ZINC001560720831 1076294220 /nfs/dbraw/zinc/29/42/20/1076294220.db2.gz LCIVDFPIFXZIGL-ROUUACIJSA-N 0 1 373.541 2.577 20 10 FFCDMN Cc1cc2[nH]ncc2cc1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001561725208 1076413154 /nfs/dbraw/zinc/41/31/54/1076413154.db2.gz PVFVFVVWZPLJEA-UHFFFAOYSA-N 0 1 351.815 2.709 20 10 FFCDMN CC[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC001564991412 1076676410 /nfs/dbraw/zinc/67/64/10/1076676410.db2.gz RAZTUNMDVURGBA-UXHICEINSA-N 0 1 374.529 2.585 20 10 FFCDMN Cc1cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001587874892 1079883528 /nfs/dbraw/zinc/88/35/28/1079883528.db2.gz JVLMXSQSFTWLCG-INIZCTEOSA-N 0 1 372.856 2.804 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCCC(=O)[O-])C1 ZINC001588923364 1080268739 /nfs/dbraw/zinc/26/87/39/1080268739.db2.gz VBVPAEPASYFGRL-UHFFFAOYSA-N 0 1 371.481 2.731 20 10 FFCDMN CCCC(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079410307 507959989 /nfs/dbraw/zinc/95/99/89/507959989.db2.gz UUIUPHVELLHKSC-AWEZNQCLSA-N 0 1 350.434 2.862 20 10 FFCDMN COc1ccc(-n2c(C)cc(C(=O)NCCc3nc(C)n[nH]3)c2C)cc1 ZINC000264359663 509481339 /nfs/dbraw/zinc/48/13/39/509481339.db2.gz RUKDFYQVHPEKJO-UHFFFAOYSA-N 0 1 353.426 2.502 20 10 FFCDMN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3O)CC2)cc1 ZINC000179563811 509516002 /nfs/dbraw/zinc/51/60/02/509516002.db2.gz ORYRSTLPYWWECL-UHFFFAOYSA-N 0 1 354.450 2.678 20 10 FFCDMN Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)o1 ZINC000180734859 510082492 /nfs/dbraw/zinc/08/24/92/510082492.db2.gz CAPWXMGATPKARV-FSNWXROXSA-N 0 1 356.422 2.966 20 10 FFCDMN CC1CCN(c2ccc(CNC(=O)NCc3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000297375558 510923072 /nfs/dbraw/zinc/92/30/72/510923072.db2.gz VGZNHOYSBNUUIV-UHFFFAOYSA-N 0 1 368.485 2.918 20 10 FFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000278576124 511000191 /nfs/dbraw/zinc/00/01/91/511000191.db2.gz GUASWAMBKRZFDU-LBPRGKRZSA-N 0 1 369.849 2.639 20 10 FFCDMN COc1c([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761696 511067550 /nfs/dbraw/zinc/06/75/50/511067550.db2.gz WFRBGNVSHVBELP-GOSISDBHSA-N 0 1 362.357 2.542 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761696 511067553 /nfs/dbraw/zinc/06/75/53/511067553.db2.gz WFRBGNVSHVBELP-GOSISDBHSA-N 0 1 362.357 2.542 20 10 FFCDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000289477629 511101563 /nfs/dbraw/zinc/10/15/63/511101563.db2.gz QDGUIBHDQRJYEI-ZETCQYMHSA-N 0 1 353.054 2.730 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289866901 511117878 /nfs/dbraw/zinc/11/78/78/511117878.db2.gz VQDVDPUFIZLHOD-GXSJLCMTSA-N 0 1 368.739 2.947 20 10 FFCDMN COc1c([O-])c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000365118209 511268010 /nfs/dbraw/zinc/26/80/10/511268010.db2.gz GSAKDXTZBFROJU-UHFFFAOYSA-N 0 1 362.386 2.554 20 10 FFCDMN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000280908747 511649721 /nfs/dbraw/zinc/64/97/21/511649721.db2.gz GIHSECVTYKDBLU-LBPRGKRZSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000280928765 511657177 /nfs/dbraw/zinc/65/71/77/511657177.db2.gz HZXDNOGAVZYPQD-JTQLQIEISA-N 0 1 362.289 2.773 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000274877164 511972582 /nfs/dbraw/zinc/97/25/82/511972582.db2.gz GXIKPHLMMZFFLM-GOEBONIOSA-N 0 1 358.276 2.983 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274873652 511971530 /nfs/dbraw/zinc/97/15/30/511971530.db2.gz GFXNPXBOVWTGNX-DZGCQCFKSA-N 0 1 354.248 2.663 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680469 512613071 /nfs/dbraw/zinc/61/30/71/512613071.db2.gz AJLFQXZEOUZIAB-ZIAGYGMSSA-N 0 1 350.415 2.948 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527769458 517901766 /nfs/dbraw/zinc/90/17/66/517901766.db2.gz OWJALQUMEOPJTJ-QGZVFWFLSA-N 0 1 364.239 2.611 20 10 FFCDMN C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1[O-] ZINC000527955423 518009746 /nfs/dbraw/zinc/00/97/46/518009746.db2.gz NZTVLXNQQVTXDF-KSFYIVLOSA-N 0 1 370.493 2.812 20 10 FFCDMN CC[C@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)OC ZINC000570490643 518631789 /nfs/dbraw/zinc/63/17/89/518631789.db2.gz IIOCTMFANOHJFD-MRXNPFEDSA-N 0 1 357.498 2.949 20 10 FFCDMN CCOCc1cc(CNCc2ccc(-c3nn[nH]n3)cc2F)ccc1OC ZINC000736626531 598314369 /nfs/dbraw/zinc/31/43/69/598314369.db2.gz ROPPYJWAKYWVQU-UHFFFAOYSA-N 0 1 371.416 2.841 20 10 FFCDMN Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833011759 601252058 /nfs/dbraw/zinc/25/20/58/601252058.db2.gz ZNIUQWXNIWCQSZ-ZKKXHLJNSA-N 0 1 356.382 2.867 20 10 FFCDMN CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505201 601401754 /nfs/dbraw/zinc/40/17/54/601401754.db2.gz IUTJPHLDWKRRTL-NSHDSACASA-N 0 1 371.393 2.966 20 10 FFCDMN CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505201 601401755 /nfs/dbraw/zinc/40/17/55/601401755.db2.gz IUTJPHLDWKRRTL-NSHDSACASA-N 0 1 371.393 2.966 20 10 FFCDMN COc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC000833728924 604544498 /nfs/dbraw/zinc/54/44/98/604544498.db2.gz FRIHWVCONPFUKT-UHFFFAOYSA-N 0 1 367.348 2.774 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cncc(F)c3Cl)cc2)CC1 ZINC000899211862 735460182 /nfs/dbraw/zinc/46/01/82/735460182.db2.gz OBIJAEWKZNGFCE-UHFFFAOYSA-N 0 1 362.836 2.556 20 10 FFCDMN O=S(=O)(NCCCSc1nccs1)c1c(F)cccc1F ZINC000078724759 728301914 /nfs/dbraw/zinc/30/19/14/728301914.db2.gz WDMSAIKBRGAHGK-UHFFFAOYSA-N 0 1 350.437 2.882 20 10 FFCDMN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000092510380 728468108 /nfs/dbraw/zinc/46/81/08/728468108.db2.gz XHXQFRIPHHBIOH-CQSZACIVSA-N 0 1 355.276 2.988 20 10 FFCDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093414062 728475852 /nfs/dbraw/zinc/47/58/52/728475852.db2.gz GTAPOPJHVRGWAL-NSHDSACASA-N 0 1 364.305 2.800 20 10 FFCDMN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000119875277 728601910 /nfs/dbraw/zinc/60/19/10/728601910.db2.gz FITLBYOJNYUXLD-IBGZPJMESA-N 0 1 358.507 2.990 20 10 FFCDMN CCc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134264378 728729350 /nfs/dbraw/zinc/72/93/50/728729350.db2.gz LELBFOAWPVZGJP-OAHLLOKOSA-N 0 1 362.861 2.726 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(F)c1 ZINC000134270115 728729471 /nfs/dbraw/zinc/72/94/71/728729471.db2.gz JLICJTVPMNVZCR-MRXNPFEDSA-N 0 1 363.820 2.974 20 10 FFCDMN CSc1nn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(=O)[nH]1 ZINC000188173157 729385121 /nfs/dbraw/zinc/38/51/21/729385121.db2.gz FEZAFPCELPHLQT-UHFFFAOYSA-N 0 1 356.451 2.892 20 10 FFCDMN CCS(=O)(=O)C1CCN(Cc2cccc(Br)c2O)CC1 ZINC000195163840 729531192 /nfs/dbraw/zinc/53/11/92/729531192.db2.gz KCXOUNCHWAEPAV-UHFFFAOYSA-N 0 1 362.289 2.554 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000858100018 730416592 /nfs/dbraw/zinc/41/65/92/730416592.db2.gz GQXUNABQNSMSRN-GFCCVEGCSA-N 0 1 363.259 2.703 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603952 730429797 /nfs/dbraw/zinc/42/97/97/730429797.db2.gz YIJCFMPQAJOFBO-YGRLFVJLSA-N 0 1 353.260 2.959 20 10 FFCDMN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862248959 730681740 /nfs/dbraw/zinc/68/17/40/730681740.db2.gz VBRNJYGXONJXGO-HOTGVXAUSA-N 0 1 370.287 2.907 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862332118 730689037 /nfs/dbraw/zinc/68/90/37/730689037.db2.gz RTNKJOCIIBHFSG-NEPJUHHUSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862332118 730689038 /nfs/dbraw/zinc/68/90/38/730689038.db2.gz RTNKJOCIIBHFSG-NEPJUHHUSA-N 0 1 372.259 2.697 20 10 FFCDMN Cc1cc(C(=O)NCCN2CC[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863324199 730768785 /nfs/dbraw/zinc/76/87/85/730768785.db2.gz SDZPYFJEXQJUBY-QGZVFWFLSA-N 0 1 361.873 2.544 20 10 FFCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000648803278 730833589 /nfs/dbraw/zinc/83/35/89/730833589.db2.gz JJCBPQKEVCZZKB-UHFFFAOYSA-N 0 1 354.332 2.842 20 10 FFCDMN COc1ccccc1[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864508138 730854626 /nfs/dbraw/zinc/85/46/26/730854626.db2.gz VBRHKWUHPIXSAT-KRWDZBQOSA-N 0 1 350.365 2.955 20 10 FFCDMN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000876131241 732217799 /nfs/dbraw/zinc/21/77/99/732217799.db2.gz NTDJGGSDBOGMHF-RBIVETJNSA-N 0 1 373.236 2.840 20 10 FFCDMN CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC000877596755 732395150 /nfs/dbraw/zinc/39/51/50/732395150.db2.gz XHHOHXLXUHVVLZ-UHFFFAOYSA-N 0 1 353.457 2.662 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCO)(CCO)CC2)c1[O-] ZINC000879282356 732677972 /nfs/dbraw/zinc/67/79/72/732677972.db2.gz UWMKFZPQSFGPAA-UHFFFAOYSA-N 0 1 355.862 2.595 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](c3nccs3)C2)cc1 ZINC000880314925 732886359 /nfs/dbraw/zinc/88/63/59/732886359.db2.gz HHDMTVFPLZZBON-INIZCTEOSA-N 0 1 358.511 2.657 20 10 FFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781908368 738670964 /nfs/dbraw/zinc/67/09/64/738670964.db2.gz MEIYQMJSQMUMIE-CYBMUJFWSA-N 0 1 358.276 2.948 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1[O-] ZINC000926947396 738671831 /nfs/dbraw/zinc/67/18/31/738671831.db2.gz JODPDOAIWPOWJN-AEKOTVAKSA-N 0 1 356.260 2.999 20 10 FFCDMN C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1[O-] ZINC000883308454 733366036 /nfs/dbraw/zinc/36/60/36/733366036.db2.gz POWSSCQMQJNBTI-CMPLNLGQSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075912 734362627 /nfs/dbraw/zinc/36/26/27/734362627.db2.gz QHGYEPHGNWRBEY-QMMMGPOBSA-N 0 1 370.696 2.673 20 10 FFCDMN C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075912 734362628 /nfs/dbraw/zinc/36/26/28/734362628.db2.gz QHGYEPHGNWRBEY-QMMMGPOBSA-N 0 1 370.696 2.673 20 10 FFCDMN O=C(Cc1cncs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783676111 738826000 /nfs/dbraw/zinc/82/60/00/738826000.db2.gz BUIRKZJOFNRESJ-CQSZACIVSA-N 0 1 365.886 2.825 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=S)NCC(C)C)cc2F)CC1 ZINC000730155935 734618812 /nfs/dbraw/zinc/61/88/12/734618812.db2.gz DKQZAOMTFZTQQK-UHFFFAOYSA-N 0 1 352.523 2.588 20 10 FFCDMN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733324435 734808989 /nfs/dbraw/zinc/80/89/89/734808989.db2.gz YHASXQZUZGKEMD-UHFFFAOYSA-N 0 1 365.861 2.780 20 10 FFCDMN O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591652 734883853 /nfs/dbraw/zinc/88/38/53/734883853.db2.gz FPFCJLXVMRPRQQ-CQSZACIVSA-N 0 1 359.651 2.520 20 10 FFCDMN C[C@H]1OCC[C@]12CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC000894603279 734886271 /nfs/dbraw/zinc/88/62/71/734886271.db2.gz UXUOUHAYFQLICK-BMIGLBTASA-N 0 1 360.223 2.674 20 10 FFCDMN O=C(N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000894899722 734933881 /nfs/dbraw/zinc/93/38/81/734933881.db2.gz ACNWBUXBZBJVKJ-KOLCDFICSA-N 0 1 364.314 2.513 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393057 735152374 /nfs/dbraw/zinc/15/23/74/735152374.db2.gz ILCHBBFUTNLZRL-WBMJQRKESA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393057 735152377 /nfs/dbraw/zinc/15/23/77/735152377.db2.gz ILCHBBFUTNLZRL-WBMJQRKESA-N 0 1 369.259 2.865 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173266 735200897 /nfs/dbraw/zinc/20/08/97/735200897.db2.gz NUJHDRYHFDEDHB-HNNXBMFYSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173266 735200904 /nfs/dbraw/zinc/20/09/04/735200904.db2.gz NUJHDRYHFDEDHB-HNNXBMFYSA-N 0 1 370.287 2.908 20 10 FFCDMN Cn1nccc1[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC000897567496 735249149 /nfs/dbraw/zinc/24/91/49/735249149.db2.gz KEIGBEAQAMVKRO-CQSZACIVSA-N 0 1 370.222 2.601 20 10 FFCDMN Cc1cc(C(=O)NCc2c[nH]nn2)c(C)n1-c1cccc(Br)c1 ZINC000748006123 735608171 /nfs/dbraw/zinc/60/81/71/735608171.db2.gz DHLSGJSVCAYVMT-UHFFFAOYSA-N 0 1 374.242 2.905 20 10 FFCDMN CCOC(=O)Cn1cccc(NCc2c(O)ccc(Cl)c2F)c1=O ZINC000902228426 735920897 /nfs/dbraw/zinc/92/08/97/735920897.db2.gz FQEGPLQGDMVBRY-UHFFFAOYSA-N 0 1 354.765 2.522 20 10 FFCDMN C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1[O-] ZINC000903419646 736089793 /nfs/dbraw/zinc/08/97/93/736089793.db2.gz CPPQMQMABDUNTM-JTQLQIEISA-N 0 1 352.232 2.732 20 10 FFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756481595 736335421 /nfs/dbraw/zinc/33/54/21/736335421.db2.gz DBSFBPHEPDKTFW-GFCCVEGCSA-N 0 1 354.859 2.675 20 10 FFCDMN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551686 736341825 /nfs/dbraw/zinc/34/18/25/736341825.db2.gz WMPKBGGYFRDXBY-NWDGAFQWSA-N 0 1 374.312 2.937 20 10 FFCDMN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(Br)cc1[O-] ZINC000756756948 736359139 /nfs/dbraw/zinc/35/91/39/736359139.db2.gz ASEAHPDSOCCPEU-JTQLQIEISA-N 0 1 362.289 2.630 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000760535846 736648177 /nfs/dbraw/zinc/64/81/77/736648177.db2.gz XHASBVHAQXICCF-CYBMUJFWSA-N 0 1 363.805 2.820 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000760535846 736648179 /nfs/dbraw/zinc/64/81/79/736648179.db2.gz XHASBVHAQXICCF-CYBMUJFWSA-N 0 1 363.805 2.820 20 10 FFCDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc1 ZINC000760535846 736648180 /nfs/dbraw/zinc/64/81/80/736648180.db2.gz XHASBVHAQXICCF-CYBMUJFWSA-N 0 1 363.805 2.820 20 10 FFCDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000766047860 737186431 /nfs/dbraw/zinc/18/64/31/737186431.db2.gz MDTMFNRJMKDBKU-UHFFFAOYSA-N 0 1 364.379 2.866 20 10 FFCDMN CN(Cc1cc(Br)cn1C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463464 737424449 /nfs/dbraw/zinc/42/44/49/737424449.db2.gz JNWRTJZLCVQWKP-HNNXBMFYSA-N 0 1 367.243 2.551 20 10 FFCDMN CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775486745 738096768 /nfs/dbraw/zinc/09/67/68/738096768.db2.gz GRTWOTCWSNSETE-MRXNPFEDSA-N 0 1 368.886 2.976 20 10 FFCDMN CCc1nsc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775717126 738116577 /nfs/dbraw/zinc/11/65/77/738116577.db2.gz MOVNDTARSCAQFQ-UHFFFAOYSA-N 0 1 356.854 2.921 20 10 FFCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000775820094 738128798 /nfs/dbraw/zinc/12/87/98/738128798.db2.gz SWFPDJFTEPGIDI-AAEUAGOBSA-N 0 1 352.406 2.690 20 10 FFCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000775820099 738129301 /nfs/dbraw/zinc/12/93/01/738129301.db2.gz SWFPDJFTEPGIDI-YPMHNXCESA-N 0 1 352.406 2.690 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776017624 738152712 /nfs/dbraw/zinc/15/27/12/738152712.db2.gz QGKDJRQZXXDJHJ-CYBMUJFWSA-N 0 1 374.840 2.910 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000790409369 739449360 /nfs/dbraw/zinc/44/93/60/739449360.db2.gz OPUHIWNPTRNNSW-UHFFFAOYSA-N 0 1 369.370 2.517 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000790411964 739450412 /nfs/dbraw/zinc/45/04/12/739450412.db2.gz XOFSUMBPLIZKNB-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN CN(C)c1ccc(CNCc2ccnc(N(C)C)n2)c(C(F)(F)F)c1 ZINC000793043456 739734263 /nfs/dbraw/zinc/73/42/63/739734263.db2.gz XXUWPAQBYLMHAI-UHFFFAOYSA-N 0 1 353.392 2.917 20 10 FFCDMN CCS(=O)(=O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796281829 740125308 /nfs/dbraw/zinc/12/53/08/740125308.db2.gz ZJCOWQAPEZCGCR-UHFFFAOYSA-N 0 1 358.507 2.774 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)[C@H]1CCCc2[nH]ncc21 ZINC000804740584 740902292 /nfs/dbraw/zinc/90/22/92/740902292.db2.gz JPSMRXYJERLXEP-NSHDSACASA-N 0 1 350.216 2.614 20 10 FFCDMN CN1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)cn2)CC1 ZINC000816528130 742038548 /nfs/dbraw/zinc/03/85/48/742038548.db2.gz NRQKLARZMVQWKV-UHFFFAOYSA-N 0 1 350.825 2.944 20 10 FFCDMN COc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1O ZINC000817882133 742220424 /nfs/dbraw/zinc/22/04/24/742220424.db2.gz ZWHOIEDARDIBTB-GXSJLCMTSA-N 0 1 358.232 2.706 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC000824454939 743082421 /nfs/dbraw/zinc/08/24/21/743082421.db2.gz LRRNQOPBINHNGS-GFCCVEGCSA-N 0 1 369.259 2.737 20 10 FFCDMN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1[O-])CC2 ZINC000824855859 743165032 /nfs/dbraw/zinc/16/50/32/743165032.db2.gz QXQFEEQXIQFLEX-CVEARBPZSA-N 0 1 370.287 2.907 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000825064539 743204008 /nfs/dbraw/zinc/20/40/08/743204008.db2.gz MVEHXZHZKAIATH-UHFFFAOYSA-N 0 1 365.861 2.698 20 10 FFCDMN Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825326221 743248471 /nfs/dbraw/zinc/24/84/71/743248471.db2.gz KLAFKFNEBHSADU-HIFRSBDPSA-N 0 1 366.259 2.898 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1Cl ZINC000825352143 743255199 /nfs/dbraw/zinc/25/51/99/743255199.db2.gz CPZJTFWHAOHKGQ-UHFFFAOYSA-N 0 1 351.855 2.974 20 10 FFCDMN CN(C)C(=O)CC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000825476116 743278728 /nfs/dbraw/zinc/27/87/28/743278728.db2.gz YQEMCEHVXQBTNP-UHFFFAOYSA-N 0 1 355.276 2.845 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000825561663 743293558 /nfs/dbraw/zinc/29/35/58/743293558.db2.gz FJLPVQYHRRCOBY-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000825943750 743347198 /nfs/dbraw/zinc/34/71/98/743347198.db2.gz JYWLAIICNGBNTL-XJKSGUPXSA-N 0 1 350.212 2.739 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1n1cccn1 ZINC000826024106 743356930 /nfs/dbraw/zinc/35/69/30/743356930.db2.gz RHTUXUWCMBYODV-BMFZPTHFSA-N 0 1 366.259 2.860 20 10 FFCDMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1c([O-])cccc1Cl)CO2 ZINC000827066799 743498847 /nfs/dbraw/zinc/49/88/47/743498847.db2.gz UZCODNIOBTUVRJ-LBPRGKRZSA-N 0 1 368.861 2.914 20 10 FFCDMN COC(=O)NC1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000827929728 745003426 /nfs/dbraw/zinc/00/34/26/745003426.db2.gz UEJAIZBPGADVCW-UHFFFAOYSA-N 0 1 357.248 2.784 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000830818817 745436041 /nfs/dbraw/zinc/43/60/41/745436041.db2.gz VTIZRWZPGRHWDD-XGWLTEMNSA-N 0 1 353.846 2.610 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000830818817 745436043 /nfs/dbraw/zinc/43/60/43/745436043.db2.gz VTIZRWZPGRHWDD-XGWLTEMNSA-N 0 1 353.846 2.610 20 10 FFCDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000835057340 745941525 /nfs/dbraw/zinc/94/15/25/745941525.db2.gz BEFATVDUSIBHRY-UHFFFAOYSA-N 0 1 366.780 2.810 20 10 FFCDMN Cc1cc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)n(C)n1 ZINC000840758612 747174697 /nfs/dbraw/zinc/17/46/97/747174697.db2.gz PIHHWRKSLREPDV-ZDUSSCGKSA-N 0 1 350.413 2.694 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC000840947460 747238532 /nfs/dbraw/zinc/23/85/32/747238532.db2.gz UFQLXCKPBVIEIN-CQSZACIVSA-N 0 1 352.784 2.707 20 10 FFCDMN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841745740 747447426 /nfs/dbraw/zinc/44/74/26/747447426.db2.gz SNZBLBAUVYDBTM-CXAGYDPISA-N 0 1 356.919 2.904 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844301663 748000002 /nfs/dbraw/zinc/00/00/02/748000002.db2.gz VQVFBLLRBJQFHM-CQSZACIVSA-N 0 1 369.259 2.960 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844301663 748000006 /nfs/dbraw/zinc/00/00/06/748000006.db2.gz VQVFBLLRBJQFHM-CQSZACIVSA-N 0 1 369.259 2.960 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000845832357 748333880 /nfs/dbraw/zinc/33/38/80/748333880.db2.gz CEBMRQFNHKQWDF-WDBUWWRISA-N 0 1 352.862 2.719 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000845832357 748333888 /nfs/dbraw/zinc/33/38/88/748333888.db2.gz CEBMRQFNHKQWDF-WDBUWWRISA-N 0 1 352.862 2.719 20 10 FFCDMN COC/C(C)=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000845832357 748333897 /nfs/dbraw/zinc/33/38/97/748333897.db2.gz CEBMRQFNHKQWDF-WDBUWWRISA-N 0 1 352.862 2.719 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])cc2)CC1 ZINC000846274536 748447353 /nfs/dbraw/zinc/44/73/53/748447353.db2.gz MFQSALWYQOVRIE-KRWDZBQOSA-N 0 1 364.511 2.694 20 10 FFCDMN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000848918614 749034739 /nfs/dbraw/zinc/03/47/39/749034739.db2.gz FYELXTAYNOQPLQ-HNNXBMFYSA-N 0 1 367.287 2.891 20 10 FFCDMN CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837073 1013059012 /nfs/dbraw/zinc/05/90/12/1013059012.db2.gz BDLNIZRWTDAOGQ-IUODEOHRSA-N 0 1 364.873 2.741 20 10 FFCDMN COc1ccc(C[NH2+]Cc2nc(C)c(C(=O)[O-])s2)cc1Cn1cccn1 ZINC000871877586 1013096267 /nfs/dbraw/zinc/09/62/67/1013096267.db2.gz NUWRVDWZDLHJHA-UHFFFAOYSA-N 0 1 372.450 2.693 20 10 FFCDMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc3ccccc3c1O)C[C@H]2C(=O)[O-] ZINC001593824597 955083390 /nfs/dbraw/zinc/08/33/90/955083390.db2.gz PJDLOYOMPALQGN-LBKMDBTOSA-N 0 1 369.417 2.631 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ncc[nH]3)cc2Cl)C1 ZINC001211658873 972075457 /nfs/dbraw/zinc/07/54/57/972075457.db2.gz LIASCWOLSDUTSV-GFCCVEGCSA-N 0 1 368.890 2.778 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275894089 1013151378 /nfs/dbraw/zinc/15/13/78/1013151378.db2.gz OYCGHYWOGHWNCK-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001275894089 1013151384 /nfs/dbraw/zinc/15/13/84/1013151384.db2.gz OYCGHYWOGHWNCK-ACJLOTCBSA-N 0 1 352.862 2.647 20 10 FFCDMN Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275895173 1013153177 /nfs/dbraw/zinc/15/31/77/1013153177.db2.gz GRRBQLITJJXHRO-IAGOWNOFSA-N 0 1 374.872 2.545 20 10 FFCDMN Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275895173 1013153182 /nfs/dbraw/zinc/15/31/82/1013153182.db2.gz GRRBQLITJJXHRO-IAGOWNOFSA-N 0 1 374.872 2.545 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951944 1013220555 /nfs/dbraw/zinc/22/05/55/1013220555.db2.gz 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WEPVAHPPIBMPNM-UHFFFAOYSA-N 0 1 371.393 2.826 20 10 FFCDMN C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cccc(Br)c3[O-])C[N@@H+]2C1 ZINC001528323180 1061860277 /nfs/dbraw/zinc/86/02/77/1061860277.db2.gz PFBRRMNNBWMCCB-MRVWCRGKSA-N 0 1 367.287 2.891 20 10 FFCDMN C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cccc(Br)c3[O-])C[N@H+]2C1 ZINC001528323180 1061860289 /nfs/dbraw/zinc/86/02/89/1061860289.db2.gz PFBRRMNNBWMCCB-MRVWCRGKSA-N 0 1 367.287 2.891 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)cc2F)CC1 ZINC001530377108 1062555690 /nfs/dbraw/zinc/55/56/90/1062555690.db2.gz OCQQZLNODWDDLX-BZZMCLGOSA-N 0 1 359.489 2.876 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCC3(C4CC4)CCC3)cc2)CC1 ZINC001469496154 1064156774 /nfs/dbraw/zinc/15/67/74/1064156774.db2.gz VGVGJTZRVWCADY-UHFFFAOYSA-N 0 1 356.514 2.818 20 10 FFCDMN CCOCCCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC001474002488 1065438268 /nfs/dbraw/zinc/43/82/68/1065438268.db2.gz MPLUTFNRUOKCKF-WMLDXEAASA-N 0 1 351.447 2.527 20 10 FFCDMN COc1ccc(CN2CC[C@@H](NCc3ccc(N(C)C)c(F)c3)C2=O)cc1 ZINC001474002094 1065438348 /nfs/dbraw/zinc/43/83/48/1065438348.db2.gz DFZXFRJDNCLJIN-LJQANCHMSA-N 0 1 371.456 2.791 20 10 FFCDMN COc1ccc(C(=O)N2CCN(Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC001474506712 1065538583 /nfs/dbraw/zinc/53/85/83/1065538583.db2.gz MOSRXYQNYZPBPX-UHFFFAOYSA-N 0 1 362.376 2.637 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC001556640370 1075761415 /nfs/dbraw/zinc/76/14/15/1075761415.db2.gz JQIXZZROHJTDHA-KDURUIRLSA-N 0 1 369.509 2.930 20 10 FFCDMN CCCCCc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[nH]n1 ZINC001558124380 1075946688 /nfs/dbraw/zinc/94/66/88/1075946688.db2.gz NWLSCFIHKQHSOB-UHFFFAOYSA-N 0 1 369.513 2.824 20 10 FFCDMN CCn1c(C)cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001558123150 1075946829 /nfs/dbraw/zinc/94/68/29/1075946829.db2.gz BIMKUCHZUROEFN-UHFFFAOYSA-N 0 1 354.498 2.807 20 10 FFCDMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC001568604263 1077102644 /nfs/dbraw/zinc/10/26/44/1077102644.db2.gz CQRCXSBECPUNSO-YPMHNXCESA-N 0 1 355.276 2.891 20 10 FFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000091963877 508028326 /nfs/dbraw/zinc/02/83/26/508028326.db2.gz PQLQYNDCDOLJBY-UHFFFAOYSA-N 0 1 367.298 2.555 20 10 FFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000093870114 508157623 /nfs/dbraw/zinc/15/76/23/508157623.db2.gz VUGXXNUYTSVZEC-NSHDSACASA-N 0 1 350.806 2.752 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000093869859 508157982 /nfs/dbraw/zinc/15/79/82/508157982.db2.gz OJQDQBGCPKNZIQ-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000093869859 508157985 /nfs/dbraw/zinc/15/79/85/508157985.db2.gz OJQDQBGCPKNZIQ-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000371412527 512385061 /nfs/dbraw/zinc/38/50/61/512385061.db2.gz VRMAMJDXYRULAU-UHFFFAOYSA-N 0 1 360.433 2.583 20 10 FFCDMN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122221471 508501558 /nfs/dbraw/zinc/50/15/58/508501558.db2.gz AOFKOBNZRCZSRP-AWEZNQCLSA-N 0 1 357.429 2.612 20 10 FFCDMN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122221588 508501905 /nfs/dbraw/zinc/50/19/05/508501905.db2.gz AOFKOBNZRCZSRP-CQSZACIVSA-N 0 1 357.429 2.612 20 10 FFCDMN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186029512 509489804 /nfs/dbraw/zinc/48/98/04/509489804.db2.gz KLTHZWPEZMNBHV-VHSXEESVSA-N 0 1 350.278 2.629 20 10 FFCDMN Oc1ccccc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179555216 509508865 /nfs/dbraw/zinc/50/88/65/509508865.db2.gz AXFQUANQXYIAKB-UHFFFAOYSA-N 0 1 356.451 2.822 20 10 FFCDMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000237630911 509696220 /nfs/dbraw/zinc/69/62/20/509696220.db2.gz HKIQBNOCKGBWOT-IRXDYDNUSA-N 0 1 367.493 2.737 20 10 FFCDMN Cc1cc(Br)cc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1O ZINC000186595821 509793123 /nfs/dbraw/zinc/79/31/23/509793123.db2.gz INNAIRJYZOMADM-AWEZNQCLSA-N 0 1 370.335 2.579 20 10 FFCDMN COc1cc(Br)cc(CN2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180453005 509930898 /nfs/dbraw/zinc/93/08/98/509930898.db2.gz UEEDQTPQSICGEH-JSGCOSHPSA-N 0 1 374.300 2.870 20 10 FFCDMN COc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246894905 510732477 /nfs/dbraw/zinc/73/24/77/510732477.db2.gz UEEDQTPQSICGEH-TZMCWYRMSA-N 0 1 374.300 2.870 20 10 FFCDMN O=C1[C@@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000247705148 510868939 /nfs/dbraw/zinc/86/89/39/510868939.db2.gz RUNUBPYZAVVBQB-GJZGRUSLSA-N 0 1 372.387 2.536 20 10 FFCDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000270741007 510969301 /nfs/dbraw/zinc/96/93/01/510969301.db2.gz LGAIJSVXPRLQMH-RZIFZGNASA-N 0 1 369.469 2.655 20 10 FFCDMN COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1 ZINC000278259347 510986274 /nfs/dbraw/zinc/98/62/74/510986274.db2.gz QHYNDRGULMXOON-UHFFFAOYSA-N 0 1 362.382 2.958 20 10 FFCDMN COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1 ZINC000278259347 510986277 /nfs/dbraw/zinc/98/62/77/510986277.db2.gz QHYNDRGULMXOON-UHFFFAOYSA-N 0 1 362.382 2.958 20 10 FFCDMN CCOc1cccc(CN(CCO)Cc2cc(OC)ccc2OC)c1O ZINC000271162062 511102787 /nfs/dbraw/zinc/10/27/87/511102787.db2.gz GGFUNBYKLXXSKU-UHFFFAOYSA-N 0 1 361.438 2.803 20 10 FFCDMN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000273592740 511545808 /nfs/dbraw/zinc/54/58/08/511545808.db2.gz POZCJQRUIVJHBQ-HNNXBMFYSA-N 0 1 355.482 2.749 20 10 FFCDMN C[N@@H+](CCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000281800457 511972199 /nfs/dbraw/zinc/97/21/99/511972199.db2.gz OZBAFCUOHSZJET-UHFFFAOYSA-N 0 1 353.054 2.731 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(COC)ccc1OC ZINC000285244438 512050141 /nfs/dbraw/zinc/05/01/41/512050141.db2.gz WGQUYLADUAABNS-UHFFFAOYSA-N 0 1 351.424 2.910 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCOC2)C1 ZINC000435515471 513608088 /nfs/dbraw/zinc/60/80/88/513608088.db2.gz GZIJNJRJJDJRBZ-MRXNPFEDSA-N 0 1 355.482 2.561 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCOC2)C1 ZINC000435515471 513608096 /nfs/dbraw/zinc/60/80/96/513608096.db2.gz GZIJNJRJJDJRBZ-MRXNPFEDSA-N 0 1 355.482 2.561 20 10 FFCDMN COC1(C)CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444350795 514201839 /nfs/dbraw/zinc/20/18/39/514201839.db2.gz IIQCGRZLKSUCGV-UHFFFAOYSA-N 0 1 355.482 2.655 20 10 FFCDMN Cc1nn(C)c(N2CCOCC2)c1CNCc1c(C)c2ccccc2n1C ZINC000475210076 514585702 /nfs/dbraw/zinc/58/57/02/514585702.db2.gz UALRIGPPPJBREC-UHFFFAOYSA-N 0 1 367.497 2.655 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000529644537 517263341 /nfs/dbraw/zinc/26/33/41/517263341.db2.gz OIFVGVSZCVWSKP-QGZVFWFLSA-N 0 1 364.239 2.611 20 10 FFCDMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880438 600219111 /nfs/dbraw/zinc/21/91/11/600219111.db2.gz WXVVRBXMRMWAIU-IFXJQAMLSA-N 0 1 362.470 2.752 20 10 FFCDMN Cc1cc[nH+]c(N2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000832984455 604281352 /nfs/dbraw/zinc/28/13/52/604281352.db2.gz SMAQMHKGHPCRBO-HYXAFXHYSA-N 0 1 368.393 2.723 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC000833695156 604751385 /nfs/dbraw/zinc/75/13/85/604751385.db2.gz JCVDWNWPOPVJLI-UHFFFAOYSA-N 0 1 358.413 2.993 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1[O-] ZINC000824009895 608468625 /nfs/dbraw/zinc/46/86/25/608468625.db2.gz DZOFJKCCEYZQEJ-SNVBAGLBSA-N 0 1 355.373 2.765 20 10 FFCDMN Cn1cc([C@]2(C[NH2+]Cc3cc(Br)ccc3[O-])CCCO2)cn1 ZINC000898059155 735308757 /nfs/dbraw/zinc/30/87/57/735308757.db2.gz ZLTBPPWRHAFQIR-MRXNPFEDSA-N 0 1 366.259 2.684 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)c1 ZINC000898367500 735348135 /nfs/dbraw/zinc/34/81/35/735348135.db2.gz DXOZGTNUWDIGEF-SNVBAGLBSA-N 0 1 369.252 2.872 20 10 FFCDMN CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092456149 728467487 /nfs/dbraw/zinc/46/74/87/728467487.db2.gz XNWVNKIDVGODIX-LLVKDONJSA-N 0 1 372.259 2.938 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000092585554 728468946 /nfs/dbraw/zinc/46/89/46/728468946.db2.gz GHZJBPNKULXFHJ-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000092585554 728468947 /nfs/dbraw/zinc/46/89/47/728468947.db2.gz GHZJBPNKULXFHJ-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CC(F)F ZINC000093767109 728477696 /nfs/dbraw/zinc/47/76/96/728477696.db2.gz QQOSOPBEONOYNT-QGZVFWFLSA-N 0 1 353.457 2.685 20 10 FFCDMN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)n1 ZINC000924906151 738460958 /nfs/dbraw/zinc/46/09/58/738460958.db2.gz JVBUSXYMGQSIQO-GFCCVEGCSA-N 0 1 351.401 2.736 20 10 FFCDMN CC(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCOCC1 ZINC000858090723 730416313 /nfs/dbraw/zinc/41/63/13/730416313.db2.gz QKQXYGROIIONJD-OAHLLOKOSA-N 0 1 357.292 2.601 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000858106857 730416810 /nfs/dbraw/zinc/41/68/10/730416810.db2.gz BKRPFPATGJUROY-GFCCVEGCSA-N 0 1 370.218 2.823 20 10 FFCDMN Cc1cc(Br)c(O)c(CNc2cc3n(n2)CC[N@H+](C)C3)c1 ZINC000865846318 731003466 /nfs/dbraw/zinc/00/34/66/731003466.db2.gz ZXNUDIJAERFTJN-UHFFFAOYSA-N 0 1 351.248 2.717 20 10 FFCDMN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000866578083 731076256 /nfs/dbraw/zinc/07/62/56/731076256.db2.gz JDMNSWKKNONDFI-LBPRGKRZSA-N 0 1 368.886 2.847 20 10 FFCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753078 732276858 /nfs/dbraw/zinc/27/68/58/732276858.db2.gz IDJUTOYTICGQCL-NSHDSACASA-N 0 1 350.325 2.660 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878152507 732489961 /nfs/dbraw/zinc/48/99/61/732489961.db2.gz INXRLGFRDCFHHY-CYBMUJFWSA-N 0 1 351.248 2.756 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878152507 732489965 /nfs/dbraw/zinc/48/99/65/732489965.db2.gz INXRLGFRDCFHHY-CYBMUJFWSA-N 0 1 351.248 2.756 20 10 FFCDMN CNS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000783639556 738822038 /nfs/dbraw/zinc/82/20/38/738822038.db2.gz SCMXASVDANKLKI-UHFFFAOYSA-N 0 1 362.238 2.614 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N(C)CC(C)C)cc2F)CC1 ZINC000730132450 734617892 /nfs/dbraw/zinc/61/78/92/734617892.db2.gz DDZXIISCAKDVSQ-UHFFFAOYSA-N 0 1 350.482 2.765 20 10 FFCDMN C[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000731872508 734702583 /nfs/dbraw/zinc/70/25/83/734702583.db2.gz NESVEODMCZEGOK-LBPRGKRZSA-N 0 1 363.458 2.836 20 10 FFCDMN COc1ccc(OC)c2c1CN(Cc1cc(F)cc(F)c1O)C[C@H]2O ZINC000893910560 734770870 /nfs/dbraw/zinc/77/08/70/734770870.db2.gz LGYCOYPEGMXTLI-CQSZACIVSA-N 0 1 351.349 2.737 20 10 FFCDMN Oc1c(F)cc(F)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000893979111 734780943 /nfs/dbraw/zinc/78/09/43/734780943.db2.gz YGPLXJFQSAWENN-UHFFFAOYSA-N 0 1 358.339 2.580 20 10 FFCDMN Cc1nnc([C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)[nH]1 ZINC000895013265 734952784 /nfs/dbraw/zinc/95/27/84/734952784.db2.gz ZTUQBPPZMFVPFA-VIFPVBQESA-N 0 1 355.211 2.710 20 10 FFCDMN Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000895013265 734952788 /nfs/dbraw/zinc/95/27/88/734952788.db2.gz ZTUQBPPZMFVPFA-VIFPVBQESA-N 0 1 355.211 2.710 20 10 FFCDMN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000895013265 734952792 /nfs/dbraw/zinc/95/27/92/734952792.db2.gz ZTUQBPPZMFVPFA-VIFPVBQESA-N 0 1 355.211 2.710 20 10 FFCDMN CCO/C=C\[C@](O)(CNCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708307 735044165 /nfs/dbraw/zinc/04/41/65/735044165.db2.gz QMCIDAODXSOQLE-LZNQSLFOSA-N 0 1 350.356 2.825 20 10 FFCDMN C[C@]1(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)COC(=O)N1 ZINC000896459725 735165383 /nfs/dbraw/zinc/16/53/83/735165383.db2.gz NNIIHUWPSVDPFV-MRXNPFEDSA-N 0 1 369.259 2.865 20 10 FFCDMN O=C1NCCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)O1 ZINC000897009869 735191749 /nfs/dbraw/zinc/19/17/49/735191749.db2.gz FHYZABZWGWYEFB-UHFFFAOYSA-N 0 1 355.232 2.619 20 10 FFCDMN CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000901127129 735747123 /nfs/dbraw/zinc/74/71/23/735747123.db2.gz INSFFNKKUNYEJQ-KCXAZCMYSA-N 0 1 354.878 2.533 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(F)cn1 ZINC000752597056 736000683 /nfs/dbraw/zinc/00/06/83/736000683.db2.gz UAHSXGVYNIWOKP-HNNXBMFYSA-N 0 1 363.820 2.974 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Br)ccc1[O-] ZINC000756429734 736330812 /nfs/dbraw/zinc/33/08/12/736330812.db2.gz DNZAFLQWBNVKIZ-NSHDSACASA-N 0 1 374.242 2.981 20 10 FFCDMN C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])N1CCN(C)CC1 ZINC000756543698 736340648 /nfs/dbraw/zinc/34/06/48/736340648.db2.gz HTSJQWOTFWIUEO-VXGBXAGGSA-N 0 1 374.298 2.580 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000761995330 736780829 /nfs/dbraw/zinc/78/08/29/736780829.db2.gz LSCLAEBXVOEJSH-UHFFFAOYSA-N 0 1 365.407 2.751 20 10 FFCDMN O=C(NCCc1ccc(O)c(O)c1)c1cccc(Br)c1O ZINC000762263918 736808746 /nfs/dbraw/zinc/80/87/46/736808746.db2.gz LTFGVUAMANCNOA-UHFFFAOYSA-N 0 1 352.184 2.538 20 10 FFCDMN C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)ccc1[O-] ZINC000763628221 736954725 /nfs/dbraw/zinc/95/47/25/736954725.db2.gz UQFGWZDAZKGMAM-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)ccc1[O-] ZINC000763628221 736954728 /nfs/dbraw/zinc/95/47/28/736954728.db2.gz UQFGWZDAZKGMAM-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(C)[NH+]1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765729082 737149724 /nfs/dbraw/zinc/14/97/24/737149724.db2.gz YGIJXIWLSLZWSS-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN c1cc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000768208179 737406815 /nfs/dbraw/zinc/40/68/15/737406815.db2.gz OUOWURBXHKYTNC-UHFFFAOYSA-N 0 1 357.523 2.903 20 10 FFCDMN CCN(CC)C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768295481 737412145 /nfs/dbraw/zinc/41/21/45/737412145.db2.gz IZQSXWUQSTYDDD-UHFFFAOYSA-N 0 1 370.291 2.734 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCN1C ZINC000769289238 737514661 /nfs/dbraw/zinc/51/46/61/737514661.db2.gz BCNQSQRNERTEIJ-CQSZACIVSA-N 0 1 355.276 2.988 20 10 FFCDMN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775733842 738118759 /nfs/dbraw/zinc/11/87/59/738118759.db2.gz JADMCBHHBNRCQM-UHFFFAOYSA-N 0 1 362.788 2.913 20 10 FFCDMN COC(=O)c1cnc(CC[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000922835407 738207101 /nfs/dbraw/zinc/20/71/01/738207101.db2.gz WASAEVFUCIWNSZ-UHFFFAOYSA-N 0 1 371.256 2.730 20 10 FFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(F)cc1F ZINC000776748649 738228996 /nfs/dbraw/zinc/22/89/96/738228996.db2.gz VULCDPKZNTWANY-UHFFFAOYSA-N 0 1 357.334 2.566 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1[O-] ZINC000932093522 739385427 /nfs/dbraw/zinc/38/54/27/739385427.db2.gz LRTQMLFDECNAAT-SFHVURJKSA-N 0 1 366.845 2.959 20 10 FFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179660 739647754 /nfs/dbraw/zinc/64/77/54/739647754.db2.gz JQMPIYNVTKYVDX-QMMMGPOBSA-N 0 1 354.731 2.685 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000797112441 740213189 /nfs/dbraw/zinc/21/31/89/740213189.db2.gz QBKOIQGKCGHHGL-QMTHXVAHSA-N 0 1 352.784 2.959 20 10 FFCDMN Cc1nccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1Cl ZINC000798389597 740327808 /nfs/dbraw/zinc/32/78/08/740327808.db2.gz ZSFRXWPBPJOWJZ-OAHLLOKOSA-N 0 1 358.873 2.779 20 10 FFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798963600 740377852 /nfs/dbraw/zinc/37/78/52/740377852.db2.gz HVTLREPMCBQBPH-KRWDZBQOSA-N 0 1 359.825 2.976 20 10 FFCDMN O=C(NCCCNC(=O)C1CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805170062 740947144 /nfs/dbraw/zinc/94/71/44/740947144.db2.gz XOXLEQHZCJJDDT-UHFFFAOYSA-N 0 1 374.268 2.805 20 10 FFCDMN O=C(NCCCO[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805195824 740949021 /nfs/dbraw/zinc/94/90/21/740949021.db2.gz DARIRSXIKOUNOO-GFCCVEGCSA-N 0 1 363.241 2.694 20 10 FFCDMN O=C(CCNC(=O)c1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837743 741162938 /nfs/dbraw/zinc/16/29/38/741162938.db2.gz CBADDDDLAISPBX-UHFFFAOYSA-N 0 1 357.193 2.728 20 10 FFCDMN O=c1ccc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc2[nH]1 ZINC000808115564 741188445 /nfs/dbraw/zinc/18/84/45/741188445.db2.gz JPVXTEOXVUZERY-UHFFFAOYSA-N 0 1 368.773 2.827 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc2ccccc2c(=O)[nH]1 ZINC000808480273 741228934 /nfs/dbraw/zinc/22/89/34/741228934.db2.gz NXNHVRCFAYFVPM-UHFFFAOYSA-N 0 1 364.188 2.866 20 10 FFCDMN COCCCn1nccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712492 741335868 /nfs/dbraw/zinc/33/58/68/741335868.db2.gz OVPFPBCMESMHKR-UHFFFAOYSA-N 0 1 354.248 2.678 20 10 FFCDMN COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000809769568 741341967 /nfs/dbraw/zinc/34/19/67/741341967.db2.gz OUHNIDHMFIJMBA-PGUXBMHVSA-N 0 1 360.376 2.678 20 10 FFCDMN CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816591839 742045144 /nfs/dbraw/zinc/04/51/44/742045144.db2.gz PINDEFNIHGBUMN-OYLFLEFRSA-N 0 1 371.865 2.707 20 10 FFCDMN CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490144 743090933 /nfs/dbraw/zinc/09/09/33/743090933.db2.gz XPTLGRZNBRXVMG-GFCCVEGCSA-N 0 1 360.237 2.711 20 10 FFCDMN O=C1CCCN1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824708325 743132071 /nfs/dbraw/zinc/13/20/71/743132071.db2.gz BMGAYQYGBUKORE-UHFFFAOYSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824708325 743132074 /nfs/dbraw/zinc/13/20/74/743132074.db2.gz BMGAYQYGBUKORE-UHFFFAOYSA-N 0 1 353.260 2.742 20 10 FFCDMN COCCOc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000825120490 743212934 /nfs/dbraw/zinc/21/29/34/743212934.db2.gz LCAXAXOFQYKDMZ-UHFFFAOYSA-N 0 1 367.243 2.865 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NCc1ccco1 ZINC000825425761 743268902 /nfs/dbraw/zinc/26/89/02/743268902.db2.gz JLSPCDBNGJKEOW-SNVBAGLBSA-N 0 1 353.216 2.542 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@]12CCCO2 ZINC000825514650 743285785 /nfs/dbraw/zinc/28/57/85/743285785.db2.gz REXXLCJJHXIWMB-ARFHVFGLSA-N 0 1 356.260 2.971 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1Cl ZINC000825816007 743331240 /nfs/dbraw/zinc/33/12/40/743331240.db2.gz KUFHDODLTMXXAC-XJKSGUPXSA-N 0 1 370.877 2.671 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000826029386 743357987 /nfs/dbraw/zinc/35/79/87/743357987.db2.gz FBNRXPLKJVYTJT-OAHLLOKOSA-N 0 1 354.219 2.987 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000826043612 743360673 /nfs/dbraw/zinc/36/06/73/743360673.db2.gz MDVBZLYMAVVHKF-CFVMTHIKSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000826043612 743360681 /nfs/dbraw/zinc/36/06/81/743360681.db2.gz MDVBZLYMAVVHKF-CFVMTHIKSA-N 0 1 356.260 2.517 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827132314 743515096 /nfs/dbraw/zinc/51/50/96/743515096.db2.gz KWVAVDGSXNIYLK-BXUZGUMPSA-N 0 1 353.260 2.564 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000830818815 745435868 /nfs/dbraw/zinc/43/58/68/745435868.db2.gz VTIZRWZPGRHWDD-SRCQZFHVSA-N 0 1 353.846 2.610 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000830818815 745435869 /nfs/dbraw/zinc/43/58/69/745435869.db2.gz VTIZRWZPGRHWDD-SRCQZFHVSA-N 0 1 353.846 2.610 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000830818816 745435982 /nfs/dbraw/zinc/43/59/82/745435982.db2.gz VTIZRWZPGRHWDD-VMGRFDJRSA-N 0 1 353.846 2.610 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000830818816 745435997 /nfs/dbraw/zinc/43/59/97/745435997.db2.gz VTIZRWZPGRHWDD-VMGRFDJRSA-N 0 1 353.846 2.610 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1[O-] ZINC000834850010 745914097 /nfs/dbraw/zinc/91/40/97/745914097.db2.gz IJLCYPHHQPZEBN-OCCSQVGLSA-N 0 1 357.292 2.652 20 10 FFCDMN C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836631673 746272645 /nfs/dbraw/zinc/27/26/45/746272645.db2.gz FHXVYLPTPLYBAT-VIFPVBQESA-N 0 1 357.241 2.863 20 10 FFCDMN CCNC(=O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838988092 746751609 /nfs/dbraw/zinc/75/16/09/746751609.db2.gz ZRYZPGMIJVSCKS-UHFFFAOYSA-N 0 1 354.292 2.665 20 10 FFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000840780848 747181916 /nfs/dbraw/zinc/18/19/16/747181916.db2.gz ONHMRFDKQVSYGQ-AWEZNQCLSA-N 0 1 354.878 2.578 20 10 FFCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000840974396 747248071 /nfs/dbraw/zinc/24/80/71/747248071.db2.gz IWHRRLPTWVJXMF-AWEZNQCLSA-N 0 1 367.833 2.931 20 10 FFCDMN C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841744448 747446884 /nfs/dbraw/zinc/44/68/84/747446884.db2.gz HOMDODLZIRRCIR-CYBMUJFWSA-N 0 1 368.886 2.816 20 10 FFCDMN COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccc1OCC(N)=O ZINC000841745779 747447451 /nfs/dbraw/zinc/44/74/51/747447451.db2.gz AKKNDVRSXGLHRR-LLVKDONJSA-N 0 1 364.829 2.769 20 10 FFCDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000844173507 747983392 /nfs/dbraw/zinc/98/33/92/747983392.db2.gz GJGAVCUCNCIGJG-LJQANCHMSA-N 0 1 355.507 2.864 20 10 FFCDMN CC(C)C[N@H+](C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000845311198 748224267 /nfs/dbraw/zinc/22/42/67/748224267.db2.gz JXMJBDJFTDSUNK-UHFFFAOYSA-N 0 1 372.307 2.932 20 10 FFCDMN CC(C)C[N@@H+](C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000845311198 748224271 /nfs/dbraw/zinc/22/42/71/748224271.db2.gz JXMJBDJFTDSUNK-UHFFFAOYSA-N 0 1 372.307 2.932 20 10 FFCDMN COCCN(Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848921470 749034713 /nfs/dbraw/zinc/03/47/13/749034713.db2.gz BQFMCLRHCSIGCS-GFCCVEGCSA-N 0 1 372.181 2.526 20 10 FFCDMN CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000850555122 749387068 /nfs/dbraw/zinc/38/70/68/749387068.db2.gz HCRXJOSNMRHLMD-JTQLQIEISA-N 0 1 362.289 2.773 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852698990 749928304 /nfs/dbraw/zinc/92/83/04/749928304.db2.gz WEPDTGAIRJTQGE-ZDUSSCGKSA-N 0 1 352.862 2.985 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000852698990 749928305 /nfs/dbraw/zinc/92/83/05/749928305.db2.gz WEPDTGAIRJTQGE-ZDUSSCGKSA-N 0 1 352.862 2.985 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2Cl)N1CCn1ccnc1 ZINC001275838014 1013061597 /nfs/dbraw/zinc/06/15/97/1013061597.db2.gz RNUGOYDTLZSWJJ-IAGOWNOFSA-N 0 1 374.872 2.508 20 10 FFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cccc2Cl)N1CCn1ccnc1 ZINC001275838014 1013061613 /nfs/dbraw/zinc/06/16/13/1013061613.db2.gz RNUGOYDTLZSWJJ-IAGOWNOFSA-N 0 1 374.872 2.508 20 10 FFCDMN COCCCN1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001275838404 1013062782 /nfs/dbraw/zinc/06/27/82/1013062782.db2.gz XBAWIKPUWBDPOC-UHFFFAOYSA-N 0 1 366.889 2.897 20 10 FFCDMN CCOCCN1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001275837173 1013065403 /nfs/dbraw/zinc/06/54/03/1013065403.db2.gz LVDNHHMXLHVSGR-UHFFFAOYSA-N 0 1 366.889 2.897 20 10 FFCDMN O=C1CO[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CN1C1CCCC1 ZINC001275892662 1013147408 /nfs/dbraw/zinc/14/74/08/1013147408.db2.gz HZFQINDQSWCCRS-IBGZPJMESA-N 0 1 364.873 2.792 20 10 FFCDMN O=C1CO[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CN1C1CCCC1 ZINC001275892662 1013147403 /nfs/dbraw/zinc/14/74/03/1013147403.db2.gz HZFQINDQSWCCRS-IBGZPJMESA-N 0 1 364.873 2.792 20 10 FFCDMN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275895754 1013154723 /nfs/dbraw/zinc/15/47/23/1013154723.db2.gz NUDYSTXVCACZRU-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275895754 1013154729 /nfs/dbraw/zinc/15/47/29/1013154729.db2.gz NUDYSTXVCACZRU-HZPDHXFCSA-N 0 1 352.862 2.647 20 10 FFCDMN O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957164 1013233340 /nfs/dbraw/zinc/23/33/40/1013233340.db2.gz PCVFXGXWRAGRLA-KRWDZBQOSA-N 0 1 360.351 2.893 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)c2ccccn2)N(C)C)cc1 ZINC000891249887 962589659 /nfs/dbraw/zinc/58/96/59/962589659.db2.gz XNJHHRAXGHMBMZ-LJQANCHMSA-N 0 1 368.481 2.530 20 10 FFCDMN CN1CCN(c2ccc(CNc3cc([N+](=O)[O-])c4nccn4c3)cc2)CC1 ZINC001167434663 963182316 /nfs/dbraw/zinc/18/23/16/963182316.db2.gz QTWNWHVZSKWKLC-UHFFFAOYSA-N 0 1 366.425 2.606 20 10 FFCDMN CN1CCN(c2ccc(CNc3cccc4c3CNC(=O)N4)cc2)CC1 ZINC001167437642 963282749 /nfs/dbraw/zinc/28/27/49/963282749.db2.gz WWTSHDNALHMJLG-UHFFFAOYSA-N 0 1 351.454 2.686 20 10 FFCDMN CNC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276077873 1013409574 /nfs/dbraw/zinc/40/95/74/1013409574.db2.gz WIEIPFRIUXPXKP-GFCCVEGCSA-N 0 1 353.260 2.503 20 10 FFCDMN COCCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276086487 1013433618 /nfs/dbraw/zinc/43/36/18/1013433618.db2.gz RLEKXUWPWYULDL-FQEVSTJZSA-N 0 1 364.461 2.772 20 10 FFCDMN COc1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1OC ZINC000894688408 965606944 /nfs/dbraw/zinc/60/69/44/965606944.db2.gz SDFLABWYWPSTIT-OXQOHEQNSA-N 0 1 361.413 2.709 20 10 FFCDMN COC(=O)c1c(CNCc2ccc(CO)cc2)c2cc(F)ccc2n1C ZINC000895075822 967413364 /nfs/dbraw/zinc/41/33/64/967413364.db2.gz MXHLBLHFQMBJAW-UHFFFAOYSA-N 0 1 356.397 2.886 20 10 FFCDMN CCOC(=O)c1n[n-]c([C@H](CC(C)C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000895104271 967615023 /nfs/dbraw/zinc/61/50/23/967615023.db2.gz IPRIUVKXATWPSE-INIZCTEOSA-N 0 1 359.474 2.924 20 10 FFCDMN COc1cc(OC)c(CNCc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892614116 969598869 /nfs/dbraw/zinc/59/88/69/969598869.db2.gz FGPDHLQNGLGQSV-UHFFFAOYSA-N 0 1 363.410 2.725 20 10 FFCDMN CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001271799907 974343586 /nfs/dbraw/zinc/34/35/86/974343586.db2.gz YZJFHAOUDAUPGI-INMHGKMJSA-N 0 1 361.486 2.856 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)/C=C\c3ccnc(Cl)c3)cc2)CC1 ZINC000893606998 975900926 /nfs/dbraw/zinc/90/09/26/975900926.db2.gz CSFMSVVGEOZFKV-DAXSKMNVSA-N 0 1 370.884 2.816 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001207570781 975952915 /nfs/dbraw/zinc/95/29/15/975952915.db2.gz ULSFWSZQZOWLHJ-OAHLLOKOSA-N 0 1 354.219 2.987 20 10 FFCDMN 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C[C@H](NC(=O)NCc1ccccc1N1CCN(C)CC1)c1ccccc1O ZINC001330633234 1049242152 /nfs/dbraw/zinc/24/21/52/1049242152.db2.gz WXGTXFVCFYAVND-INIZCTEOSA-N 0 1 368.481 2.704 20 10 FFCDMN O=C(COC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001294860212 1049821457 /nfs/dbraw/zinc/82/14/57/1049821457.db2.gz SFIJYPDJANXRCR-GFCCVEGCSA-N 0 1 366.767 2.663 20 10 FFCDMN O=C(COC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001294860212 1049821466 /nfs/dbraw/zinc/82/14/66/1049821466.db2.gz SFIJYPDJANXRCR-GFCCVEGCSA-N 0 1 366.767 2.663 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308590347 1052473955 /nfs/dbraw/zinc/47/39/55/1052473955.db2.gz TVDVGCLUVSNPMG-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308590347 1052473959 /nfs/dbraw/zinc/47/39/59/1052473959.db2.gz TVDVGCLUVSNPMG-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN CC1(C)C[C@@](C)(NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)O1 ZINC001347005195 1053527922 /nfs/dbraw/zinc/52/79/22/1053527922.db2.gz DVJBZLHXSPMKQW-OAHLLOKOSA-N 0 1 361.225 2.982 20 10 FFCDMN Cc1cc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(C)c1 ZINC001349002009 1055046780 /nfs/dbraw/zinc/04/67/80/1055046780.db2.gz IKGJZOFBJUCZSX-OAHLLOKOSA-N 0 1 350.426 2.545 20 10 FFCDMN O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001338235851 1055347191 /nfs/dbraw/zinc/34/71/91/1055347191.db2.gz VHJXOVCPFDOBSG-JTQLQIEISA-N 0 1 371.250 2.784 20 10 FFCDMN CCOc1ccc(N2CCN(C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC001349649302 1055388607 /nfs/dbraw/zinc/38/86/07/1055388607.db2.gz SUQFACAAVXGMDS-FQEVSTJZSA-N 0 1 360.498 2.936 20 10 FFCDMN NC(=O)N=Nc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC001444269424 1058290280 /nfs/dbraw/zinc/29/02/80/1058290280.db2.gz VYDAGPJMJMKSFF-UHFFFAOYSA-N 0 1 366.425 2.638 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000848275338 1059565536 /nfs/dbraw/zinc/56/55/36/1059565536.db2.gz MNZWUVXAICGNSW-KRWDZBQOSA-N 0 1 365.437 2.994 20 10 FFCDMN CO[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952152 1063277586 /nfs/dbraw/zinc/27/75/86/1063277586.db2.gz WJRDROLIQLUAOG-JFIYKMOQSA-N 0 1 366.889 2.941 20 10 FFCDMN CO[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465952152 1063277611 /nfs/dbraw/zinc/27/76/11/1063277611.db2.gz WJRDROLIQLUAOG-JFIYKMOQSA-N 0 1 366.889 2.941 20 10 FFCDMN Cc1ccccc1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001468071130 1063922205 /nfs/dbraw/zinc/92/22/05/1063922205.db2.gz FFQAMVMXPNRIMK-UHFFFAOYSA-N 0 1 352.482 2.746 20 10 FFCDMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471192448 1064596421 /nfs/dbraw/zinc/59/64/21/1064596421.db2.gz YYAJHCYGPWZXQT-LQJIQPLVSA-N 0 1 356.514 2.530 20 10 FFCDMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001474333503 1065496083 /nfs/dbraw/zinc/49/60/83/1065496083.db2.gz NCGGEJSMUAMDJY-GJZGRUSLSA-N 0 1 353.457 2.661 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001560874413 1076305683 /nfs/dbraw/zinc/30/56/83/1076305683.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N 0 1 372.412 2.786 20 10 FFCDMN CCOC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)on1 ZINC001570027522 1077177941 /nfs/dbraw/zinc/17/79/41/1077177941.db2.gz MBVIDBSRSKBKSR-UHFFFAOYSA-N 0 1 359.165 2.794 20 10 FFCDMN C[C@H](N)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841076298 747264154 /nfs/dbraw/zinc/26/41/54/747264154.db2.gz CWLFPVCGRIIWMP-BQBZGAKWSA-N 0 1 352.070 2.743 20 10 FFCDMN O=c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2sccn21 ZINC000070976265 507672804 /nfs/dbraw/zinc/67/28/04/507672804.db2.gz WVKDIBJCVOZBDH-INIZCTEOSA-N 0 1 371.462 2.643 20 10 FFCDMN COc1cccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1O ZINC000073981043 507973945 /nfs/dbraw/zinc/97/39/45/507973945.db2.gz RSNUYTDTUZWHQX-MRXNPFEDSA-N 0 1 373.453 2.939 20 10 FFCDMN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2[O-])CN1 ZINC000092104565 508044026 /nfs/dbraw/zinc/04/40/26/508044026.db2.gz OISSWTBCTBLCKM-BXUZGUMPSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2[O-])CN1 ZINC000092104565 508044030 /nfs/dbraw/zinc/04/40/30/508044030.db2.gz OISSWTBCTBLCKM-BXUZGUMPSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C(CCc1cnccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000373538550 512385146 /nfs/dbraw/zinc/38/51/46/512385146.db2.gz OJFBRCRYSKZWPK-QGZVFWFLSA-N 0 1 374.872 2.549 20 10 FFCDMN C[C@H](C(=O)N1CCC(C)CC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153096752 508547543 /nfs/dbraw/zinc/54/75/43/508547543.db2.gz VJQUJDKGEKWGTB-GOSISDBHSA-N 0 1 359.514 2.602 20 10 FFCDMN CCn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158104859 508658165 /nfs/dbraw/zinc/65/81/65/508658165.db2.gz PFOWIDBJEJGQTH-MRXNPFEDSA-N 0 1 362.861 2.656 20 10 FFCDMN Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130733073 508837860 /nfs/dbraw/zinc/83/78/60/508837860.db2.gz OXNWYPNVGWCDEN-LJQANCHMSA-N 0 1 369.513 2.888 20 10 FFCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000132632127 509054843 /nfs/dbraw/zinc/05/48/43/509054843.db2.gz KORPOJYHTLHVRM-MRXNPFEDSA-N 0 1 368.485 2.837 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1cccc(F)c1)cc2=O ZINC000179569700 509517646 /nfs/dbraw/zinc/51/76/46/509517646.db2.gz ABHYNFPYYLRWRU-UHFFFAOYSA-N 0 1 372.400 2.776 20 10 FFCDMN COc1ccccc1[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCC1 ZINC000237257779 509604260 /nfs/dbraw/zinc/60/42/60/509604260.db2.gz MCQGNQQBWQKYPJ-IBGZPJMESA-N 0 1 353.466 2.773 20 10 FFCDMN CCOC1CC(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])(N2CCOCC2)C1 ZINC000193399239 509897661 /nfs/dbraw/zinc/89/76/61/509897661.db2.gz LEXLQUCIDMSBMH-ASFAAARLSA-N 0 1 368.905 2.966 20 10 FFCDMN CCn1cc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000171687135 510306841 /nfs/dbraw/zinc/30/68/41/510306841.db2.gz CPXCOMBSOYRKSQ-UHFFFAOYSA-N 0 1 374.464 2.506 20 10 FFCDMN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1OC ZINC000181276549 510334054 /nfs/dbraw/zinc/33/40/54/510334054.db2.gz HWZKNGUVSDWLNL-GFCCVEGCSA-N 0 1 373.413 2.992 20 10 FFCDMN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000181276549 510334057 /nfs/dbraw/zinc/33/40/57/510334057.db2.gz HWZKNGUVSDWLNL-GFCCVEGCSA-N 0 1 373.413 2.992 20 10 FFCDMN Fc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)cc1 ZINC000293954573 510910061 /nfs/dbraw/zinc/91/00/61/510910061.db2.gz ZOUAHYPDCFPGDG-IBGZPJMESA-N 0 1 367.428 2.660 20 10 FFCDMN Cc1cnn(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000285478877 510923705 /nfs/dbraw/zinc/92/37/05/510923705.db2.gz OKHAGMDBKISXSB-UHFFFAOYSA-N 0 1 368.403 2.874 20 10 FFCDMN COc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1O ZINC000360775639 510947437 /nfs/dbraw/zinc/94/74/37/510947437.db2.gz JQWBQMJUTHCLGA-SJLPKXTDSA-N 0 1 373.428 2.785 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000277008048 510952388 /nfs/dbraw/zinc/95/23/88/510952388.db2.gz ZKUBKCRZIFOXKA-UHFFFAOYSA-N 0 1 355.387 2.912 20 10 FFCDMN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750707 511005621 /nfs/dbraw/zinc/00/56/21/511005621.db2.gz SDXWIMXZGJCXSU-BXUZGUMPSA-N 0 1 364.269 2.545 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1[O-] ZINC000287238335 511045250 /nfs/dbraw/zinc/04/52/50/511045250.db2.gz YQSVVRGBSMQOKR-QWRGUYRKSA-N 0 1 362.289 2.630 20 10 FFCDMN COc1c([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761697 511067785 /nfs/dbraw/zinc/06/77/85/511067785.db2.gz WFRBGNVSHVBELP-SFHVURJKSA-N 0 1 362.357 2.542 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364761697 511067793 /nfs/dbraw/zinc/06/77/93/511067793.db2.gz WFRBGNVSHVBELP-SFHVURJKSA-N 0 1 362.357 2.542 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000288484122 511077324 /nfs/dbraw/zinc/07/73/24/511077324.db2.gz GRPGFTWYEAIONK-BBRMVZONSA-N 0 1 350.212 2.739 20 10 FFCDMN COc1cncc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000290535072 511144163 /nfs/dbraw/zinc/14/41/63/511144163.db2.gz ORRUXOAXSMNWTO-UHFFFAOYSA-N 0 1 352.412 2.522 20 10 FFCDMN Cn1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(C(F)F)n1 ZINC000291165803 511161344 /nfs/dbraw/zinc/16/13/44/511161344.db2.gz JAJDCCGSCAODLT-UHFFFAOYSA-N 0 1 364.440 2.856 20 10 FFCDMN COC1CCN(c2ccc(CN3CC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000294873401 511205845 /nfs/dbraw/zinc/20/58/45/511205845.db2.gz DXMALNQIVCTJIF-QGZVFWFLSA-N 0 1 358.404 2.801 20 10 FFCDMN O=C(c1c(F)ccc(O)c1O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295406717 511394119 /nfs/dbraw/zinc/39/41/19/511394119.db2.gz WAAJRIMGIGBVRC-NRFANRHFSA-N 0 1 370.424 2.975 20 10 FFCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295406717 511394121 /nfs/dbraw/zinc/39/41/21/511394121.db2.gz WAAJRIMGIGBVRC-NRFANRHFSA-N 0 1 370.424 2.975 20 10 FFCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295406717 511394124 /nfs/dbraw/zinc/39/41/24/511394124.db2.gz WAAJRIMGIGBVRC-NRFANRHFSA-N 0 1 370.424 2.975 20 10 FFCDMN CC[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000295853555 511535951 /nfs/dbraw/zinc/53/59/51/511535951.db2.gz DZSCWWCHBHHOEC-HNNXBMFYSA-N 0 1 357.292 2.652 20 10 FFCDMN CCCN(CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1O ZINC000299651867 511665527 /nfs/dbraw/zinc/66/55/27/511665527.db2.gz OUULAVPJNXZHTD-UHFFFAOYSA-N 0 1 369.465 2.993 20 10 FFCDMN OC1CCN(c2ccc(CNCc3cnn(CC(F)F)c3)cc2F)CC1 ZINC000292887196 511758963 /nfs/dbraw/zinc/75/89/63/511758963.db2.gz DFGJAJMNBYDGLW-UHFFFAOYSA-N 0 1 368.403 2.538 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3ncc(Cl)n3C)cc2F)CC1 ZINC000281585570 511900474 /nfs/dbraw/zinc/90/04/74/511900474.db2.gz DRZAAPKLZFETPO-UHFFFAOYSA-N 0 1 365.884 2.644 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C)c(C)c1O ZINC000274798585 511946029 /nfs/dbraw/zinc/94/60/29/511946029.db2.gz OBIKBDATDXKGAQ-UHFFFAOYSA-N 0 1 363.361 2.877 20 10 FFCDMN CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274873654 511971883 /nfs/dbraw/zinc/97/18/83/511971883.db2.gz GFXNPXBOVWTGNX-UKRRQHHQSA-N 0 1 354.248 2.663 20 10 FFCDMN CC[C@@H](NCc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000274970400 512002943 /nfs/dbraw/zinc/00/29/43/512002943.db2.gz YCPJUSIVDCGTNH-GFCCVEGCSA-N 0 1 351.248 2.933 20 10 FFCDMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120874 512027467 /nfs/dbraw/zinc/02/74/67/512027467.db2.gz YNEPZUWGTCYHMZ-ZWKOTPCHSA-N 0 1 351.450 2.941 20 10 FFCDMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120874 512027472 /nfs/dbraw/zinc/02/74/72/512027472.db2.gz YNEPZUWGTCYHMZ-ZWKOTPCHSA-N 0 1 351.450 2.941 20 10 FFCDMN CC[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1[O-] ZINC000293618143 512028222 /nfs/dbraw/zinc/02/82/22/512028222.db2.gz FNSQPKQMAPBWLL-AWEZNQCLSA-N 0 1 353.264 2.957 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCO2)C1 ZINC000435656838 513649726 /nfs/dbraw/zinc/64/97/26/513649726.db2.gz RZHVLOXQXCFYDE-INIZCTEOSA-N 0 1 355.482 2.703 20 10 FFCDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@@H](C)CO ZINC000513453004 516629490 /nfs/dbraw/zinc/62/94/90/516629490.db2.gz QJYFYVMWMDMYTI-INIZCTEOSA-N 0 1 357.498 2.637 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nncs2)C1 ZINC000515281897 517279726 /nfs/dbraw/zinc/27/97/26/517279726.db2.gz OQMIUGNXNOZXTN-UHFFFAOYSA-N 0 1 355.467 2.898 20 10 FFCDMN CCOC1CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000565914855 519195660 /nfs/dbraw/zinc/19/56/60/519195660.db2.gz ULWKOFYITONZLV-UHFFFAOYSA-N 0 1 355.482 2.655 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000833307571 604639741 /nfs/dbraw/zinc/63/97/41/604639741.db2.gz JHHBYJQFKATOEN-IAGOWNOFSA-N 0 1 359.447 2.950 20 10 FFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833419608 605552859 /nfs/dbraw/zinc/55/28/59/605552859.db2.gz HIKIGVLNSOTMSY-MRXNPFEDSA-N 0 1 364.461 2.985 20 10 FFCDMN Oc1ccccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCO1 ZINC000826511371 608498650 /nfs/dbraw/zinc/49/86/50/608498650.db2.gz MWASNTIZJPPQAE-AWEZNQCLSA-N 0 1 371.466 2.815 20 10 FFCDMN Oc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCO1 ZINC000826511371 608498653 /nfs/dbraw/zinc/49/86/53/608498653.db2.gz MWASNTIZJPPQAE-AWEZNQCLSA-N 0 1 371.466 2.815 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)CN(C)[C@@H]2CCSC2)cc1F ZINC000155753391 728835705 /nfs/dbraw/zinc/83/57/05/728835705.db2.gz WDPBXKDORFPEFA-OAHLLOKOSA-N 0 1 353.507 2.725 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516185 735374225 /nfs/dbraw/zinc/37/42/25/735374225.db2.gz NQPKLKXMNRSPNY-ZFWWWQNUSA-N 0 1 350.415 2.948 20 10 FFCDMN Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000120896189 728616949 /nfs/dbraw/zinc/61/69/49/728616949.db2.gz LTGAUIYFAFGQRK-UHFFFAOYSA-N 0 1 362.817 2.979 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NC[C@H](C)SC)cc2F)CC1 ZINC000163823088 728961383 /nfs/dbraw/zinc/96/13/83/728961383.db2.gz UTQYKSQTOYBWFG-AWEZNQCLSA-N 0 1 368.522 2.518 20 10 FFCDMN CCN(CC(=O)N(C)CC1CC1)Cc1cc(Br)ccc1O ZINC000174425116 729071861 /nfs/dbraw/zinc/07/18/61/729071861.db2.gz NTYHHMJYNARXDS-UHFFFAOYSA-N 0 1 355.276 2.845 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000858092856 730416259 /nfs/dbraw/zinc/41/62/59/730416259.db2.gz LDTYMMUQFXCMHK-UHFFFAOYSA-N 0 1 365.275 2.805 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000858095965 730416442 /nfs/dbraw/zinc/41/64/42/730416442.db2.gz SOGFQTADIYWVRO-GFCCVEGCSA-N 0 1 352.228 2.684 20 10 FFCDMN COC1CC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000860242427 730493277 /nfs/dbraw/zinc/49/32/77/730493277.db2.gz QTRJXABAYMWGMQ-DSSZZKGTSA-N 0 1 352.862 2.551 20 10 FFCDMN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862248957 730681702 /nfs/dbraw/zinc/68/17/02/730681702.db2.gz VBRNJYGXONJXGO-CVEARBPZSA-N 0 1 370.287 2.907 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000862385021 730695191 /nfs/dbraw/zinc/69/51/91/730695191.db2.gz NUPHIGMQBACICD-JMSVASOKSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000862385021 730695193 /nfs/dbraw/zinc/69/51/93/730695193.db2.gz NUPHIGMQBACICD-JMSVASOKSA-N 0 1 356.260 2.517 20 10 FFCDMN COc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795796 731832422 /nfs/dbraw/zinc/83/24/22/731832422.db2.gz NZGNEHSTVUCHOZ-UKRRQHHQSA-N 0 1 367.511 2.565 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048113 732001493 /nfs/dbraw/zinc/00/14/93/732001493.db2.gz KEEOTEDDCNGVLZ-CMPLNLGQSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048113 732001497 /nfs/dbraw/zinc/00/14/97/732001497.db2.gz KEEOTEDDCNGVLZ-CMPLNLGQSA-N 0 1 367.808 2.609 20 10 FFCDMN CN1CCN(c2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000882880561 733306423 /nfs/dbraw/zinc/30/64/23/733306423.db2.gz YNSJKESSPUKMJS-UHFFFAOYSA-N 0 1 362.275 2.603 20 10 FFCDMN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3c([O-])cccc3Br)O2)CO1 ZINC000886329293 733774271 /nfs/dbraw/zinc/77/42/71/733774271.db2.gz CBAOOPRWDYXLLL-BFQNTYOBSA-N 0 1 356.260 2.971 20 10 FFCDMN COc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891789142 734476723 /nfs/dbraw/zinc/47/67/23/734476723.db2.gz KDIMITFNKPFTIH-ZDUSSCGKSA-N 0 1 352.431 2.508 20 10 FFCDMN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732049106 734714702 /nfs/dbraw/zinc/71/47/02/734714702.db2.gz OLVGKACQEDGLTG-CQSZACIVSA-N 0 1 362.817 2.847 20 10 FFCDMN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732049106 734714708 /nfs/dbraw/zinc/71/47/08/734714708.db2.gz OLVGKACQEDGLTG-CQSZACIVSA-N 0 1 362.817 2.847 20 10 FFCDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC000894603282 734886172 /nfs/dbraw/zinc/88/61/72/734886172.db2.gz UXUOUHAYFQLICK-ZUZCIYMTSA-N 0 1 360.223 2.674 20 10 FFCDMN Oc1c(Br)cc(Cl)cc1CN1CCOC[C@]12CCOC2 ZINC000894661969 734897581 /nfs/dbraw/zinc/89/75/81/734897581.db2.gz HLUKADSZVQANKT-CQSZACIVSA-N 0 1 362.651 2.799 20 10 FFCDMN COC(=O)c1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000895334651 734991989 /nfs/dbraw/zinc/99/19/89/734991989.db2.gz QSGSVBGHEJCODT-UHFFFAOYSA-N 0 1 360.479 2.786 20 10 FFCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000740865739 735093271 /nfs/dbraw/zinc/09/32/71/735093271.db2.gz ZAICQHLKYQBUNN-CYBMUJFWSA-N 0 1 363.479 2.884 20 10 FFCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000740865739 735093275 /nfs/dbraw/zinc/09/32/75/735093275.db2.gz ZAICQHLKYQBUNN-CYBMUJFWSA-N 0 1 363.479 2.884 20 10 FFCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270270 739226158 /nfs/dbraw/zinc/22/61/58/739226158.db2.gz QTAHOWZKDSDAGT-XCBNKYQSSA-N 0 1 365.065 2.872 20 10 FFCDMN OCCc1nnc(NCc2cc(Cl)cc(Br)c2O)s1 ZINC000905419210 736338377 /nfs/dbraw/zinc/33/83/77/736338377.db2.gz OLHIOHWDSFXJCD-UHFFFAOYSA-N 0 1 364.652 2.807 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000757659106 736416782 /nfs/dbraw/zinc/41/67/82/736416782.db2.gz YSDCBOJIKPEKDF-DOMZBBRYSA-N 0 1 362.861 2.621 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907758720 736664458 /nfs/dbraw/zinc/66/44/58/736664458.db2.gz SROYDECYMFJCNZ-JSGCOSHPSA-N 0 1 353.260 2.788 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907758720 736664461 /nfs/dbraw/zinc/66/44/61/736664461.db2.gz SROYDECYMFJCNZ-JSGCOSHPSA-N 0 1 353.260 2.788 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H]2CCCC[C@H]21 ZINC000769415687 737526440 /nfs/dbraw/zinc/52/64/40/737526440.db2.gz ZUOKMJHYQITDEH-UONOGXRCSA-N 0 1 374.300 2.696 20 10 FFCDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000769467359 737532910 /nfs/dbraw/zinc/53/29/10/737532910.db2.gz VGAZKAHFQMBDDD-ZDUSSCGKSA-N 0 1 372.259 2.697 20 10 FFCDMN CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775501189 738097875 /nfs/dbraw/zinc/09/78/75/738097875.db2.gz CMRFRLSYHWZJNJ-DOMZBBRYSA-N 0 1 357.292 2.916 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1[O-] ZINC000775525223 738099453 /nfs/dbraw/zinc/09/94/53/738099453.db2.gz FDVSZXSQYDDQLC-GXTWGEPZSA-N 0 1 350.850 2.839 20 10 FFCDMN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000922409803 738140229 /nfs/dbraw/zinc/14/02/29/738140229.db2.gz SQWYQQUKLAGCMT-YMTOWFKASA-N 0 1 357.241 2.993 20 10 FFCDMN C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980909 742226494 /nfs/dbraw/zinc/22/64/94/742226494.db2.gz FPYQQJSZWJUXBR-MWLCHTKSSA-N 0 1 363.683 2.837 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000776015142 738152299 /nfs/dbraw/zinc/15/22/99/738152299.db2.gz UNSXTMKEMNQYIZ-CHWSQXEVSA-N 0 1 372.259 2.697 20 10 FFCDMN CC(C)CN1C[C@@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000787287982 739123192 /nfs/dbraw/zinc/12/31/92/739123192.db2.gz DJLHPVRNZFLMLX-LBPRGKRZSA-N 0 1 355.841 2.763 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792174829 739646775 /nfs/dbraw/zinc/64/67/75/739646775.db2.gz LFTLFWXFQKTYRM-NSHDSACASA-N 0 1 374.840 2.910 20 10 FFCDMN C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000797071384 740209155 /nfs/dbraw/zinc/20/91/55/740209155.db2.gz SGKDVZWHFJCWMQ-NXEZZACHSA-N 0 1 362.289 2.771 20 10 FFCDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000797820443 740276389 /nfs/dbraw/zinc/27/63/89/740276389.db2.gz XYVSGTFCPCGTSY-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000799543923 740428005 /nfs/dbraw/zinc/42/80/05/740428005.db2.gz WDMYFZCQZUMGRS-UHFFFAOYSA-N 0 1 352.368 2.888 20 10 FFCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000799543818 740428048 /nfs/dbraw/zinc/42/80/48/740428048.db2.gz UIRASGMSWNIJST-UHFFFAOYSA-N 0 1 366.464 2.617 20 10 FFCDMN CN(C)c1ccncc1C(=O)NCc1cc(Br)ccc1O ZINC000804739681 740901824 /nfs/dbraw/zinc/90/18/24/740901824.db2.gz OHHDNXIBCXJOAE-UHFFFAOYSA-N 0 1 350.216 2.546 20 10 FFCDMN O=C(NCCC(=O)N1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000804923075 740916419 /nfs/dbraw/zinc/91/64/19/740916419.db2.gz PSYGOHXVBVBWFL-UHFFFAOYSA-N 0 1 374.268 2.901 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000808445359 741226575 /nfs/dbraw/zinc/22/65/75/741226575.db2.gz VZJHYYGMDXEGRP-APHBMKBZSA-N 0 1 367.287 2.891 20 10 FFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000808688551 741252126 /nfs/dbraw/zinc/25/21/26/741252126.db2.gz UAHKNKOTJOJJTR-LBPRGKRZSA-N 0 1 360.907 2.676 20 10 FFCDMN COc1cc(Br)cc(CN(C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751311 741339833 /nfs/dbraw/zinc/33/98/33/741339833.db2.gz QNCDSMNWVFRCLY-SNVBAGLBSA-N 0 1 358.154 2.518 20 10 FFCDMN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682856 741748389 /nfs/dbraw/zinc/74/83/89/741748389.db2.gz LVENFSQULDPJLF-ZDUSSCGKSA-N 0 1 359.253 2.962 20 10 FFCDMN CC(C)CN1C[C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CCN2C1=O ZINC000816593513 742045481 /nfs/dbraw/zinc/04/54/81/742045481.db2.gz UTMSJFWUVJCPBC-ZDUSSCGKSA-N 0 1 355.841 2.763 20 10 FFCDMN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000817356193 742128829 /nfs/dbraw/zinc/12/88/29/742128829.db2.gz HFAYDNKKOKKCDT-MRXNPFEDSA-N 0 1 363.435 2.594 20 10 FFCDMN C[C@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971291 742224913 /nfs/dbraw/zinc/22/49/13/742224913.db2.gz CAKMSAQUAVFENF-BQBZGAKWSA-N 0 1 352.070 2.915 20 10 FFCDMN O[C@@H](CNCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000818964332 742316248 /nfs/dbraw/zinc/31/62/48/742316248.db2.gz RTQKBUQCGMOLTH-ZDUSSCGKSA-N 0 1 372.309 2.555 20 10 FFCDMN O=C(N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824827551 743156867 /nfs/dbraw/zinc/15/68/67/743156867.db2.gz FWPZKDRDAKHBOP-PWSUYJOCSA-N 0 1 362.779 2.888 20 10 FFCDMN O=C(N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824827551 743156869 /nfs/dbraw/zinc/15/68/69/743156869.db2.gz FWPZKDRDAKHBOP-PWSUYJOCSA-N 0 1 362.779 2.888 20 10 FFCDMN Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825045853 743200847 /nfs/dbraw/zinc/20/08/47/743200847.db2.gz MRQXJWVDAQBFKS-CZUORRHYSA-N 0 1 366.259 2.898 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000825803906 743329376 /nfs/dbraw/zinc/32/93/76/743329376.db2.gz MFSBLPKQPAATFR-CJNGLKHVSA-N 0 1 370.287 2.812 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825939843 743346068 /nfs/dbraw/zinc/34/60/68/743346068.db2.gz IEZFNENWENORFU-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825939843 743346078 /nfs/dbraw/zinc/34/60/78/743346078.db2.gz IEZFNENWENORFU-CYBMUJFWSA-N 0 1 355.276 2.893 20 10 FFCDMN O=[S@](CC[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000826866787 743458934 /nfs/dbraw/zinc/45/89/34/743458934.db2.gz DKGYVWHPYDADLL-LJQANCHMSA-N 0 1 360.195 2.555 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827675148 744959007 /nfs/dbraw/zinc/95/90/07/744959007.db2.gz ZCCQFAVKAJVHJQ-CYBMUJFWSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827675148 744959010 /nfs/dbraw/zinc/95/90/10/744959010.db2.gz ZCCQFAVKAJVHJQ-CYBMUJFWSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000827681646 744959388 /nfs/dbraw/zinc/95/93/88/744959388.db2.gz XCWKAGKNAHMONZ-GFCCVEGCSA-N 0 1 355.276 2.891 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000827681646 744959393 /nfs/dbraw/zinc/95/93/93/744959393.db2.gz XCWKAGKNAHMONZ-GFCCVEGCSA-N 0 1 355.276 2.891 20 10 FFCDMN Cc1cc(CN(C)C[C@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000827878199 744995656 /nfs/dbraw/zinc/99/56/56/744995656.db2.gz PQTADPLFOKLJLH-GOSISDBHSA-N 0 1 350.528 2.852 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)ncc3F)cc2)CC1 ZINC000829296187 745189739 /nfs/dbraw/zinc/18/97/39/745189739.db2.gz DYNMCOZOEHQKCZ-UHFFFAOYSA-N 0 1 362.836 2.556 20 10 FFCDMN Cc1nnc(SCCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000840554474 747124288 /nfs/dbraw/zinc/12/42/88/747124288.db2.gz BOYMESNTPGWPJZ-ZDUSSCGKSA-N 0 1 361.515 2.717 20 10 FFCDMN COc1cc(Br)cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840975519 747248984 /nfs/dbraw/zinc/24/89/84/747248984.db2.gz HQQGHNYRNKNYCU-ZDUSSCGKSA-N 0 1 371.275 2.652 20 10 FFCDMN COc1cc(Br)cc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840975519 747248990 /nfs/dbraw/zinc/24/89/90/747248990.db2.gz HQQGHNYRNKNYCU-ZDUSSCGKSA-N 0 1 371.275 2.652 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000840995736 747252723 /nfs/dbraw/zinc/25/27/23/747252723.db2.gz PDSSFZYBNCSUCX-JTQLQIEISA-N 0 1 358.232 2.850 20 10 FFCDMN [O-]c1c(Br)cc(Br)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841042218 747259983 /nfs/dbraw/zinc/25/99/83/747259983.db2.gz GHXGTWHTDCDNBP-JTQLQIEISA-N 0 1 364.081 2.759 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[O-] ZINC000841746299 747447457 /nfs/dbraw/zinc/44/74/57/747447457.db2.gz XTLYOAMKYPTBJW-YPMHNXCESA-N 0 1 365.813 2.865 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841758620 747451997 /nfs/dbraw/zinc/45/19/97/747451997.db2.gz UDCGDIZMDJYQFZ-QMTHXVAHSA-N 0 1 352.784 2.959 20 10 FFCDMN Cn1nccc1[C@@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000843432937 747835706 /nfs/dbraw/zinc/83/57/06/747835706.db2.gz RNKMIMYEWQWBEH-CQSZACIVSA-N 0 1 351.834 2.952 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000846015064 748382886 /nfs/dbraw/zinc/38/28/86/748382886.db2.gz VTBDNLFTFFQTEP-ZUZCIYMTSA-N 0 1 350.346 2.660 20 10 FFCDMN COCCN(Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000848921471 749034845 /nfs/dbraw/zinc/03/48/45/749034845.db2.gz BQFMCLRHCSIGCS-LBPRGKRZSA-N 0 1 372.181 2.526 20 10 FFCDMN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000850341248 749344797 /nfs/dbraw/zinc/34/47/97/749344797.db2.gz DLKQGQFMTFLQRL-OAHLLOKOSA-N 0 1 365.857 2.764 20 10 FFCDMN C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 ZINC000852476518 749872464 /nfs/dbraw/zinc/87/24/64/749872464.db2.gz IXRKYCPRNBWPMF-WRWORJQWSA-N 0 1 356.213 2.796 20 10 FFCDMN COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000853622386 750117090 /nfs/dbraw/zinc/11/70/90/750117090.db2.gz GDBQBLBOJDJWME-MFKMUULPSA-N 0 1 360.376 2.598 20 10 FFCDMN COc1ccc2ccc(O)c(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000014265991 845028427 /nfs/dbraw/zinc/02/84/27/845028427.db2.gz ZFXGKYCWPFSTIY-HNNXBMFYSA-N 0 1 361.463 2.706 20 10 FFCDMN COc1ccc(CN2Cc3cccnc3N3CCC[C@H]3C2)c(O)c1OC ZINC000895860868 971004169 /nfs/dbraw/zinc/00/41/69/971004169.db2.gz JVMTWKUAHBMJFG-INIZCTEOSA-N 0 1 355.438 2.789 20 10 FFCDMN CCOc1ccc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000896053087 971198911 /nfs/dbraw/zinc/19/89/11/971198911.db2.gz ARZLKAYBQFLVAQ-UHFFFAOYSA-N 0 1 357.454 2.670 20 10 FFCDMN COc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1Cn1cccn1 ZINC000871874769 1013096132 /nfs/dbraw/zinc/09/61/32/1013096132.db2.gz VIOMSYCIEBOFKV-GFCCVEGCSA-N 0 1 372.450 2.946 20 10 FFCDMN CCOc1cccc(CN2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1O ZINC000896749663 971690342 /nfs/dbraw/zinc/69/03/42/971690342.db2.gz VLMPBKBATYPRSA-UHFFFAOYSA-N 0 1 368.437 2.695 20 10 FFCDMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(C(C)C)ccc1O)C[C@H]2C(=O)[O-] ZINC001593823331 955061448 /nfs/dbraw/zinc/06/14/48/955061448.db2.gz CECJFVNGVZDKSZ-NGEICVOHSA-N 0 1 361.438 2.601 20 10 FFCDMN COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275956920 1013225607 /nfs/dbraw/zinc/22/56/07/1013225607.db2.gz NJZVIWQLHUIUGG-IBGZPJMESA-N 0 1 368.424 2.520 20 10 FFCDMN COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275956922 1013226437 /nfs/dbraw/zinc/22/64/37/1013226437.db2.gz NJZVIWQLHUIUGG-LJQANCHMSA-N 0 1 368.424 2.520 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc([S@](C)=O)c2)N(C)C)cc1 ZINC000891246376 962568006 /nfs/dbraw/zinc/56/80/06/962568006.db2.gz BRZNPYMNMKGTGX-BCHFMIIMSA-N 0 1 373.522 2.523 20 10 FFCDMN CCOc1cnc(Cl)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167426985 963030040 /nfs/dbraw/zinc/03/00/40/963030040.db2.gz SCQDRDPXPBITPN-UHFFFAOYSA-N 0 1 361.877 2.893 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)NC(=O)CC4)cc2)CC1 ZINC001167431205 963085624 /nfs/dbraw/zinc/08/56/24/963085624.db2.gz MCWKQTWVMVNPEE-UHFFFAOYSA-N 0 1 350.466 2.935 20 10 FFCDMN COC(=O)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 ZINC001167436835 963261148 /nfs/dbraw/zinc/26/11/48/963261148.db2.gz BOJHEWICMRDHGN-UHFFFAOYSA-N 0 1 369.465 2.846 20 10 FFCDMN CCOCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276087101 1013429830 /nfs/dbraw/zinc/42/98/30/1013429830.db2.gz WWNBQJFPKHUEMM-FQEVSTJZSA-N 0 1 364.461 2.772 20 10 FFCDMN COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2[O-])C1=O ZINC001276086505 1013433275 /nfs/dbraw/zinc/43/32/75/1013433275.db2.gz RUQRJTRHYQBQFB-LJQANCHMSA-N 0 1 350.434 2.523 20 10 FFCDMN COCCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276086488 1013433439 /nfs/dbraw/zinc/43/34/39/1013433439.db2.gz RLEKXUWPWYULDL-HXUWFJFHSA-N 0 1 364.461 2.772 20 10 FFCDMN N[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001206243965 1013436701 /nfs/dbraw/zinc/43/67/01/1013436701.db2.gz HXGQNRQNXMVQMO-NSHDSACASA-N 0 1 357.145 2.759 20 10 FFCDMN COC(=O)c1c(CN2CC(C3CCOCC3)C2)c2cc(F)ccc2n1C ZINC000894667926 965566466 /nfs/dbraw/zinc/56/64/66/965566466.db2.gz OVAGSAHROXGKQD-UHFFFAOYSA-N 0 1 360.429 2.962 20 10 FFCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000176673592 966544646 /nfs/dbraw/zinc/54/46/46/966544646.db2.gz DESCGSHHLMKKTN-KRWDZBQOSA-N 0 1 354.450 2.814 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@H]3C)cc2F)CC1 ZINC000178672022 967003431 /nfs/dbraw/zinc/00/34/31/967003431.db2.gz YXHZBLXWFIDPIA-JKSUJKDBSA-N 0 1 362.493 2.908 20 10 FFCDMN CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1nn[nH]n1 ZINC000176784594 967578557 /nfs/dbraw/zinc/57/85/57/967578557.db2.gz KTVMOPIOSHQSBA-KRWDZBQOSA-N 0 1 368.441 2.887 20 10 FFCDMN COCCNC(=O)C1(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840824631 973384977 /nfs/dbraw/zinc/38/49/77/973384977.db2.gz MATXQYDVSIAUPZ-OAHLLOKOSA-N 0 1 363.477 2.762 20 10 FFCDMN C[S@@](=O)C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172592 1014499106 /nfs/dbraw/zinc/49/91/06/1014499106.db2.gz ULSFNTZORDEINF-HFZDXXHNSA-N 0 1 372.534 2.857 20 10 FFCDMN Cc1cc(C(=O)Cn2cc(CNC(C)C)nn2)c(C)n1-c1ccc(F)cn1 ZINC000905810310 980517541 /nfs/dbraw/zinc/51/75/41/980517541.db2.gz ZEIGGPUUVORRRN-UHFFFAOYSA-N 0 1 370.432 2.601 20 10 FFCDMN CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001212054881 981478698 /nfs/dbraw/zinc/47/86/98/981478698.db2.gz RXAPSSYELHTBOH-NEPJUHHUSA-N 0 1 354.255 2.686 20 10 FFCDMN Cc1cc(C)c(O)c(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000164201503 984334863 /nfs/dbraw/zinc/33/48/63/984334863.db2.gz OZFSTXGHLVOSIY-UHFFFAOYSA-N 0 1 374.506 2.906 20 10 FFCDMN C[C@@H]1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC[N@H+](C2CC2)C1 ZINC001594535593 986148562 /nfs/dbraw/zinc/14/85/62/986148562.db2.gz NHXXNMNWUOWMNY-CYBMUJFWSA-N 0 1 359.445 2.932 20 10 FFCDMN C[C@H]1CN(C2CC2)CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001594535593 986148565 /nfs/dbraw/zinc/14/85/65/986148565.db2.gz NHXXNMNWUOWMNY-CYBMUJFWSA-N 0 1 359.445 2.932 20 10 FFCDMN C[C@H]1CN(C2CC2)CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001594535593 986148568 /nfs/dbraw/zinc/14/85/68/986148568.db2.gz NHXXNMNWUOWMNY-CYBMUJFWSA-N 0 1 359.445 2.932 20 10 FFCDMN CCc1nc([C@H](C)NC(=O)NCc2ccc(N(CC)CC)c(F)c2)n[nH]1 ZINC000763011530 988969108 /nfs/dbraw/zinc/96/91/08/988969108.db2.gz AOOZKGQJJNFULL-LBPRGKRZSA-N 0 1 362.453 2.913 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccnn3C(C)(C)C)cc2)CC1 ZINC000879275225 1015454964 /nfs/dbraw/zinc/45/49/64/1015454964.db2.gz JPFGJKLGHUGCJD-UHFFFAOYSA-N 0 1 370.501 2.712 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)/C=C\c3ccc(C=O)cc3)cc2)CC1 ZINC000918914572 990522920 /nfs/dbraw/zinc/52/29/20/990522920.db2.gz WILBNNNGGMZLSE-FLIBITNWSA-N 0 1 363.461 2.581 20 10 FFCDMN COc1ccc(O)c(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000179622844 991304790 /nfs/dbraw/zinc/30/47/90/991304790.db2.gz VGBNKMHKOGYSJO-UHFFFAOYSA-N 0 1 356.470 2.945 20 10 FFCDMN [O-]c1c(I)cccc1CN1CC([NH+]2CCCCC2)C1 ZINC001237782038 992716923 /nfs/dbraw/zinc/71/69/23/992716923.db2.gz CVAINLZORMPHHW-UHFFFAOYSA-N 0 1 372.250 2.667 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593298822 994717090 /nfs/dbraw/zinc/71/70/90/994717090.db2.gz NFKSEJKMVHZWTM-LBPRGKRZSA-N 0 1 361.467 2.653 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001132898987 995193606 /nfs/dbraw/zinc/19/36/06/995193606.db2.gz IZCJVJZBZKUSSF-NHCUHLMSSA-N 0 1 367.468 2.997 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N3CC(C)(CC)C3)cc2F)CC1 ZINC000813063513 995608453 /nfs/dbraw/zinc/60/84/53/995608453.db2.gz UUAHKAHCNLFKBY-UHFFFAOYSA-N 0 1 362.493 2.909 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3occc3C)cc2F)CC1 ZINC000826719065 1016025028 /nfs/dbraw/zinc/02/50/28/1016025028.db2.gz DFLMQFHLVDDATQ-UHFFFAOYSA-N 0 1 359.445 2.728 20 10 FFCDMN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC001136875056 996935816 /nfs/dbraw/zinc/93/58/16/996935816.db2.gz WWZUQOFDZGJWBF-UWJYYQICSA-N 0 1 368.525 2.767 20 10 FFCDMN 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000840389915 1027068024 /nfs/dbraw/zinc/06/80/24/1027068024.db2.gz AEMIYWGMMFEFPZ-AWEZNQCLSA-N 0 1 372.517 2.907 20 10 FFCDMN CN1CCN(c2ccc(CN[C@@H](F)Oc3ccnc(Cl)c3)cc2)CC1 ZINC001156655760 1029290475 /nfs/dbraw/zinc/29/04/75/1029290475.db2.gz JGPSDLCMMVEPKI-GOSISDBHSA-N 0 1 364.852 2.909 20 10 FFCDMN CCN(CC)c1cncc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156657487 1029293212 /nfs/dbraw/zinc/29/32/12/1029293212.db2.gz LLKZQZFPSHAQGT-UHFFFAOYSA-N 0 1 354.502 2.687 20 10 FFCDMN CN1CCN(c2ccc(C[N@H+]3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000840997930 1029968461 /nfs/dbraw/zinc/96/84/61/1029968461.db2.gz ZBFQHSBPEPNQKJ-IHPCNDPISA-N 0 1 357.498 2.656 20 10 FFCDMN CN1CCN(c2ccc(C[N@@H+]3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000840997930 1029968476 /nfs/dbraw/zinc/96/84/76/1029968476.db2.gz ZBFQHSBPEPNQKJ-IHPCNDPISA-N 0 1 357.498 2.656 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000697620061 1030305123 /nfs/dbraw/zinc/30/51/23/1030305123.db2.gz GUMUKPGDHFITMW-SKDRFNHKSA-N 0 1 350.278 2.629 20 10 FFCDMN Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000842214713 1030645965 /nfs/dbraw/zinc/64/59/65/1030645965.db2.gz QUBRGUQXXOKDAB-UHFFFAOYSA-N 0 1 373.522 2.762 20 10 FFCDMN CCOc1cccc(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1O ZINC001203609861 1030787150 /nfs/dbraw/zinc/78/71/50/1030787150.db2.gz NBWMUFGBVBQHBO-UHFFFAOYSA-N 0 1 367.449 2.534 20 10 FFCDMN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203621415 1030789566 /nfs/dbraw/zinc/78/95/66/1030789566.db2.gz DVQVMLBWOXEXPI-HDICACEKSA-N 0 1 352.434 2.605 20 10 FFCDMN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648775 1030803765 /nfs/dbraw/zinc/80/37/65/1030803765.db2.gz UFOCGCNSFMAHBW-AWEZNQCLSA-N 0 1 364.243 2.906 20 10 FFCDMN Cc1cncnc1O[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203648775 1030803779 /nfs/dbraw/zinc/80/37/79/1030803779.db2.gz UFOCGCNSFMAHBW-AWEZNQCLSA-N 0 1 364.243 2.906 20 10 FFCDMN CN(C)c1ccc(/C=C/CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723468 1030925425 /nfs/dbraw/zinc/92/54/25/1030925425.db2.gz DSEDIZPFWPPDOC-DUMMIQTOSA-N 0 1 372.490 2.590 20 10 FFCDMN Oc1ccc(CN2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)cc1O ZINC001203877090 1030950246 /nfs/dbraw/zinc/95/02/46/1030950246.db2.gz CYKQSUAGELENPW-WAOWUJCRSA-N 0 1 370.449 2.832 20 10 FFCDMN CCCNC(=O)c1ccc(O[C@H]2CCN(Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203884558 1030958770 /nfs/dbraw/zinc/95/87/70/1030958770.db2.gz UVYVXMONXILTQP-SFHVURJKSA-N 0 1 370.449 2.891 20 10 FFCDMN COc1ccc(N2CC[C@H](COC(=O)CCCCc3cn[nH]n3)C2)cc1 ZINC000842874256 1031007929 /nfs/dbraw/zinc/00/79/29/1031007929.db2.gz AYAPCGUUJVWOBF-HNNXBMFYSA-N 0 1 358.442 2.596 20 10 FFCDMN CNC(=O)[C@@]1(C)CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000797525089 1031144058 /nfs/dbraw/zinc/14/40/58/1031144058.db2.gz ALTBUCRKWPTIAS-NRFANRHFSA-N 0 1 371.456 2.874 20 10 FFCDMN COc1cc(CN2CCCN(C(=O)OC(C)(C)C)CCC2)cc(O)c1O ZINC001204349401 1031245794 /nfs/dbraw/zinc/24/57/94/1031245794.db2.gz SGULLJIRXCUKMV-UHFFFAOYSA-N 0 1 366.458 2.939 20 10 FFCDMN O=C1CN(Cc2cc(Br)cc(F)c2O)[C@H]2CCCC[C@@H]2N1 ZINC001204430919 1031283571 /nfs/dbraw/zinc/28/35/71/1031283571.db2.gz LKHBCVGWZJLMNO-STQMWFEESA-N 0 1 357.223 2.537 20 10 FFCDMN COc1c([O-])c(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000843420592 1031395233 /nfs/dbraw/zinc/39/52/33/1031395233.db2.gz IGOXDVCYSQHVJF-IBGZPJMESA-N 0 1 358.394 2.575 20 10 FFCDMN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000829764113 1033326345 /nfs/dbraw/zinc/32/63/45/1033326345.db2.gz GSFVAWUZQHQRGF-IBGZPJMESA-N 0 1 350.466 2.729 20 10 FFCDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219191031 1033547736 /nfs/dbraw/zinc/54/77/36/1033547736.db2.gz FTAARUXDMNXOGA-OAHLLOKOSA-N 0 1 364.453 2.954 20 10 FFCDMN COCC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001138131122 1033817963 /nfs/dbraw/zinc/81/79/63/1033817963.db2.gz QTSLDDGUUCGSJW-OAHLLOKOSA-N 0 1 368.449 2.989 20 10 FFCDMN O=C1C[C@@]2(CN1C1COC1)CCCC[N@@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967402 1033862723 /nfs/dbraw/zinc/86/27/23/1033862723.db2.gz LTCPGJAYBRYJOV-GOSISDBHSA-N 0 1 368.836 2.541 20 10 FFCDMN Cc1cc(F)cc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001277025944 1034169544 /nfs/dbraw/zinc/16/95/44/1034169544.db2.gz INVXKWBMPFRKCF-LJQANCHMSA-N 0 1 359.401 2.595 20 10 FFCDMN Cc1cc(F)cc(CN2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001277025944 1034169547 /nfs/dbraw/zinc/16/95/47/1034169547.db2.gz INVXKWBMPFRKCF-LJQANCHMSA-N 0 1 359.401 2.595 20 10 FFCDMN CO[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000832204433 1034626989 /nfs/dbraw/zinc/62/69/89/1034626989.db2.gz LXCTXIGHROLKMG-OALUTQOASA-N 0 1 359.514 2.600 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001139126422 1034955983 /nfs/dbraw/zinc/95/59/83/1034955983.db2.gz GNODEHNQSWVIBX-DIFFPNOSSA-N 0 1 371.355 2.942 20 10 FFCDMN COc1ccc(OC)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1N ZINC001139273325 1035037652 /nfs/dbraw/zinc/03/76/52/1035037652.db2.gz UNIOXTJVUJUZDQ-UHFFFAOYSA-N 0 1 371.481 2.755 20 10 FFCDMN COC(=O)c1ccc(N2CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139686354 1035198045 /nfs/dbraw/zinc/19/80/45/1035198045.db2.gz VQPPFRNJJIYONS-UHFFFAOYSA-N 0 1 362.376 2.779 20 10 FFCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cccnn4)C3)C2)cc1 ZINC001139968882 1035293063 /nfs/dbraw/zinc/29/30/63/1035293063.db2.gz BQYPBKLXTBUBPH-NRFANRHFSA-N 0 1 368.481 2.604 20 10 FFCDMN Cc1ccnc(O[C@@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102172 1035341599 /nfs/dbraw/zinc/34/15/99/1035341599.db2.gz KFQDWHNQKIAESM-GFCCVEGCSA-N 0 1 364.243 2.906 20 10 FFCDMN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102172 1035341601 /nfs/dbraw/zinc/34/16/01/1035341601.db2.gz KFQDWHNQKIAESM-GFCCVEGCSA-N 0 1 364.243 2.906 20 10 FFCDMN CN1C(=O)CC[C@H]2C[N@@H+](Cc3c([O-])cccc3Br)CC[C@@H]21 ZINC001140102541 1035343220 /nfs/dbraw/zinc/34/32/20/1035343220.db2.gz RIZYYLYUABUESV-FZMZJTMJSA-N 0 1 353.260 2.597 20 10 FFCDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3c([O-])cccc3Br)CC[C@@H]21 ZINC001140102541 1035343225 /nfs/dbraw/zinc/34/32/25/1035343225.db2.gz RIZYYLYUABUESV-FZMZJTMJSA-N 0 1 353.260 2.597 20 10 FFCDMN CCN1CC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)[C@@H](COC)C1=O ZINC001140339603 1035444003 /nfs/dbraw/zinc/44/40/03/1035444003.db2.gz JGVBXKKNOQGYOY-HNNXBMFYSA-N 0 1 366.889 2.753 20 10 FFCDMN COc1c(O)c(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070755 1035507496 /nfs/dbraw/zinc/50/74/96/1035507496.db2.gz QTWYCRMRKCNZAR-SFHVURJKSA-N 0 1 366.414 2.863 20 10 FFCDMN COc1c([O-])c(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070755 1035507505 /nfs/dbraw/zinc/50/75/05/1035507505.db2.gz QTWYCRMRKCNZAR-SFHVURJKSA-N 0 1 366.414 2.863 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000835070755 1035507512 /nfs/dbraw/zinc/50/75/12/1035507512.db2.gz QTWYCRMRKCNZAR-SFHVURJKSA-N 0 1 366.414 2.863 20 10 FFCDMN CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@@H]21 ZINC001232260363 1035531832 /nfs/dbraw/zinc/53/18/32/1035531832.db2.gz WBYQMCBLFXTWPN-WFASDCNBSA-N 0 1 352.862 2.830 20 10 FFCDMN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@@H]21 ZINC001232260363 1035531842 /nfs/dbraw/zinc/53/18/42/1035531842.db2.gz WBYQMCBLFXTWPN-WFASDCNBSA-N 0 1 352.862 2.830 20 10 FFCDMN COc1ccnc(O[C@@H]2CCN(Cc3cc(Cl)c(OC)cc3O)C2)n1 ZINC001232271379 1035540475 /nfs/dbraw/zinc/54/04/75/1035540475.db2.gz VBGIWRLSLRIGPS-GFCCVEGCSA-N 0 1 365.817 2.506 20 10 FFCDMN COC(=O)c1sc(C(=O)OC)c(OC[C@H](OC)c2ccccc2)c1O ZINC001227621002 1035642971 /nfs/dbraw/zinc/64/29/71/1035642971.db2.gz ZRUPMSSLPIGBQJ-NSHDSACASA-N 0 1 366.391 2.793 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232577 1035682073 /nfs/dbraw/zinc/68/20/73/1035682073.db2.gz URTREGWOAZVURX-DJJJIMSYSA-N 0 1 364.873 2.980 20 10 FFCDMN CCc1noc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140663733 1035816070 /nfs/dbraw/zinc/81/60/70/1035816070.db2.gz NNCNXFHRURJJOT-MRXNPFEDSA-N 0 1 374.460 2.987 20 10 FFCDMN CN(C)c1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(O)c1 ZINC001232839772 1036095446 /nfs/dbraw/zinc/09/54/46/1036095446.db2.gz WSTOGAIRPSNEAO-FBBABVLZSA-N 0 1 369.465 2.664 20 10 FFCDMN C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(I)cc3[O-])[C@@H]2C1 ZINC001232978235 1036210540 /nfs/dbraw/zinc/21/05/40/1036210540.db2.gz CUAYZPXEJBGJFS-SMDDNHRTSA-N 0 1 372.250 2.523 20 10 FFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3ccc(I)cc3[O-])[C@@H]2C1 ZINC001232978235 1036210554 /nfs/dbraw/zinc/21/05/54/1036210554.db2.gz CUAYZPXEJBGJFS-SMDDNHRTSA-N 0 1 372.250 2.523 20 10 FFCDMN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233012235 1036244848 /nfs/dbraw/zinc/24/48/48/1036244848.db2.gz KEALFJLSCPUDLX-LJQANCHMSA-N 0 1 374.462 2.884 20 10 FFCDMN O=C1N(CC2CCCC2)CCC12CCN(Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233012157 1036245848 /nfs/dbraw/zinc/24/58/48/1036245848.db2.gz MNBNNIIZHFTJNQ-UHFFFAOYSA-N 0 1 374.481 2.808 20 10 FFCDMN CCN(CC)c1ccc(C[N@@H+]2Cc3ccnn3C[C@H](COC)C2)c(O)c1 ZINC001140852329 1036284728 /nfs/dbraw/zinc/28/47/28/1036284728.db2.gz KHBLPDDMQQRYHS-MRXNPFEDSA-N 0 1 358.486 2.713 20 10 FFCDMN [O-]c1c(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc(F)c1F ZINC001233077702 1036326912 /nfs/dbraw/zinc/32/69/12/1036326912.db2.gz WUDAVTFWFFPQRD-UHFFFAOYSA-N 0 1 374.313 2.801 20 10 FFCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Br ZINC001233141145 1036389312 /nfs/dbraw/zinc/38/93/12/1036389312.db2.gz BZNXLNNUZRGNRY-CMPLNLGQSA-N 0 1 354.244 2.964 20 10 FFCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Br ZINC001233141145 1036389325 /nfs/dbraw/zinc/38/93/25/1036389325.db2.gz BZNXLNNUZRGNRY-CMPLNLGQSA-N 0 1 354.244 2.964 20 10 FFCDMN CCCNC(=O)COC1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925502 1036464407 /nfs/dbraw/zinc/46/44/07/1036464407.db2.gz CCHYLQMRYRXHQC-UHFFFAOYSA-N 0 1 367.921 2.913 20 10 FFCDMN COc1ccc(N2CCN(Cc3cccc4c3CCO4)CC2)c(OC)c1 ZINC001233278163 1036484704 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1049536008 /nfs/dbraw/zinc/53/60/08/1049536008.db2.gz ZSMXKNVTFFANKB-BPQIPLTHSA-N 0 1 363.452 2.736 20 10 FFCDMN CN(C)c1cc(F)c(CNCc2ccc(-c3nncnn3)cc2)cc1F ZINC001308453875 1052457713 /nfs/dbraw/zinc/45/77/13/1052457713.db2.gz VLTQQIPMYPDHTM-UHFFFAOYSA-N 0 1 356.380 2.568 20 10 FFCDMN COCCOc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC001334934068 1053156057 /nfs/dbraw/zinc/15/60/57/1053156057.db2.gz CIJIFVNVSZYONI-UHFFFAOYSA-N 0 1 374.481 2.803 20 10 FFCDMN CN(CCC(F)(F)F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001337637835 1054912987 /nfs/dbraw/zinc/91/29/87/1054912987.db2.gz SCPNVDQSANTNDR-UHFFFAOYSA-N 0 1 358.408 2.532 20 10 FFCDMN C[C@H](NC(=O)c1ccccc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC001338359652 1055446060 /nfs/dbraw/zinc/44/60/60/1055446060.db2.gz WGSJYRMLCSPBRR-KRWDZBQOSA-N 0 1 366.509 2.995 20 10 FFCDMN O=C(NCC[NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC001200214477 1056052937 /nfs/dbraw/zinc/05/29/37/1056052937.db2.gz VAPULQUFQRVQLL-UHFFFAOYSA-N 0 1 355.257 2.736 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001351511025 1056300740 /nfs/dbraw/zinc/30/07/40/1056300740.db2.gz KDTADGIKIPXNHV-MLGOLLRUSA-N 0 1 370.287 2.812 20 10 FFCDMN O=C(Cn1nnc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC001450720157 1059043687 /nfs/dbraw/zinc/04/36/87/1059043687.db2.gz FAJJOQUEQFIKGO-UHFFFAOYSA-N 0 1 351.193 2.760 20 10 FFCDMN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)c1cnc[nH]1 ZINC001458591735 1060630874 /nfs/dbraw/zinc/63/08/74/1060630874.db2.gz PRICDKLQLTVKQW-KRWDZBQOSA-N 0 1 352.350 2.694 20 10 FFCDMN COc1ccc(C[N@@H+](CCO)Cc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001461985735 1061470358 /nfs/dbraw/zinc/47/03/58/1061470358.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N 0 1 353.365 2.682 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCC[C@H]3CC=CCC3)cc2)CC1 ZINC001479117211 1062237850 /nfs/dbraw/zinc/23/78/50/1062237850.db2.gz GAWXHSHRFNBBES-SFHVURJKSA-N 0 1 356.514 2.984 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc(N4CCNC4=O)cc3)cc2)CC1 ZINC001473945541 1065425459 /nfs/dbraw/zinc/42/54/59/1065425459.db2.gz VCXFSTMUUUQTAF-UHFFFAOYSA-N 0 1 365.481 2.580 20 10 FFCDMN COc1ccc(CN2CC[C@H](NCc3ccc4c(c3)CCO4)C2=O)cc1 ZINC001474004483 1065437433 /nfs/dbraw/zinc/43/74/33/1065437433.db2.gz NOCBVVBDXKHAGW-IBGZPJMESA-N 0 1 352.434 2.521 20 10 FFCDMN Cc1ccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(O)c1 ZINC001474389012 1065510023 /nfs/dbraw/zinc/51/00/23/1065510023.db2.gz CXUQETZEZSFYCQ-QGZVFWFLSA-N 0 1 352.500 2.527 20 10 FFCDMN C[C@@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676489 1079249075 /nfs/dbraw/zinc/24/90/75/1079249075.db2.gz NVVSIRKKLWSXCD-HUUCEWRRSA-N 0 1 368.481 2.862 20 10 FFCDMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC001568604261 1077102696 /nfs/dbraw/zinc/10/26/96/1077102696.db2.gz CQRCXSBECPUNSO-DGCLKSJQSA-N 0 1 355.276 2.891 20 10 FFCDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770808 507986543 /nfs/dbraw/zinc/98/65/43/507986543.db2.gz NYBDYPQJNKDSFQ-LBPRGKRZSA-N 0 1 359.382 2.768 20 10 FFCDMN O=C1[C@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233016 508081077 /nfs/dbraw/zinc/08/10/77/508081077.db2.gz RUNUBPYZAVVBQB-LSDHHAIUSA-N 0 1 372.387 2.536 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)CCSc2nnc(C)[nH]2)cc1F ZINC000081042436 508129534 /nfs/dbraw/zinc/12/95/34/508129534.db2.gz BTIXADXHFIAIMX-UHFFFAOYSA-N 0 1 365.478 2.897 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1=COCCC1 ZINC000134258555 508514327 /nfs/dbraw/zinc/51/43/27/508514327.db2.gz RQKHXCGWXXVXOQ-INIZCTEOSA-N 0 1 350.846 2.821 20 10 FFCDMN O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C1=COCCC1 ZINC000134258555 508514330 /nfs/dbraw/zinc/51/43/30/508514330.db2.gz RQKHXCGWXXVXOQ-INIZCTEOSA-N 0 1 350.846 2.821 20 10 FFCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C1=COCCC1 ZINC000134258555 508514333 /nfs/dbraw/zinc/51/43/33/508514333.db2.gz RQKHXCGWXXVXOQ-INIZCTEOSA-N 0 1 350.846 2.821 20 10 FFCDMN O=C(c1ccccc1F)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000126047350 509058143 /nfs/dbraw/zinc/05/81/43/509058143.db2.gz GLNILCYOVILPJA-UHFFFAOYSA-N 0 1 372.396 2.608 20 10 FFCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000369493686 512436397 /nfs/dbraw/zinc/43/63/97/512436397.db2.gz LUUCHLXPNRKVFC-UHFFFAOYSA-N 0 1 362.861 2.945 20 10 FFCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369493686 512436400 /nfs/dbraw/zinc/43/64/00/512436400.db2.gz LUUCHLXPNRKVFC-UHFFFAOYSA-N 0 1 362.861 2.945 20 10 FFCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369493686 512436404 /nfs/dbraw/zinc/43/64/04/512436404.db2.gz LUUCHLXPNRKVFC-UHFFFAOYSA-N 0 1 362.861 2.945 20 10 FFCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1[O-] ZINC000189162828 509444394 /nfs/dbraw/zinc/44/43/94/509444394.db2.gz UWYFKEDJIFHETP-LBPRGKRZSA-N 0 1 369.870 2.662 20 10 FFCDMN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269443758 510409885 /nfs/dbraw/zinc/40/98/85/510409885.db2.gz GCLKAZOZGIHHRN-INIZCTEOSA-N 0 1 374.506 2.820 20 10 FFCDMN COc1cccc([C@H](CNC(=O)NCc2cccc(OC)c2O)N(C)C)c1 ZINC000266720261 510748773 /nfs/dbraw/zinc/74/87/73/510748773.db2.gz SSMBQOAWMDVDJO-KRWDZBQOSA-N 0 1 373.453 2.512 20 10 FFCDMN COC1CCN(c2ccc(CN3CCCN(C(=O)C(C)C)CC3)cc2)CC1 ZINC000297253528 510873458 /nfs/dbraw/zinc/87/34/58/510873458.db2.gz VMXUURKWMHKSBH-UHFFFAOYSA-N 0 1 373.541 2.992 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1[O-] ZINC000278677815 511003398 /nfs/dbraw/zinc/00/33/98/511003398.db2.gz OOVJMGCJWOSRIL-CYBMUJFWSA-N 0 1 366.889 2.933 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1[O-] ZINC000278677815 511003399 /nfs/dbraw/zinc/00/33/99/511003399.db2.gz OOVJMGCJWOSRIL-CYBMUJFWSA-N 0 1 366.889 2.933 20 10 FFCDMN CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)n4ccnc43)cc2F)CC1 ZINC000297603887 511005499 /nfs/dbraw/zinc/00/54/99/511005499.db2.gz IEKXYFUPTREJBO-CRAIPNDOSA-N 0 1 357.477 2.960 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000287180793 511043977 /nfs/dbraw/zinc/04/39/77/511043977.db2.gz VFKSPSUSWWMJAV-MNOVXSKESA-N 0 1 362.289 2.630 20 10 FFCDMN CN(C)c1ccc(CN(C(=O)NCc2n[nH]c(C3CC3)n2)C2CC2)cc1 ZINC000298011361 511141411 /nfs/dbraw/zinc/14/14/11/511141411.db2.gz DWMGGZJNOCKISA-UHFFFAOYSA-N 0 1 354.458 2.622 20 10 FFCDMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024175 511255238 /nfs/dbraw/zinc/25/52/38/511255238.db2.gz HRJUJBKEIUHXGQ-UONOGXRCSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295024175 511255244 /nfs/dbraw/zinc/25/52/44/511255244.db2.gz HRJUJBKEIUHXGQ-UONOGXRCSA-N 0 1 350.434 2.964 20 10 FFCDMN C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273439967 511526435 /nfs/dbraw/zinc/52/64/35/511526435.db2.gz MPWSWBSCARVTJP-LKFCYVNXSA-N 0 1 363.767 2.880 20 10 FFCDMN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273456544 511526454 /nfs/dbraw/zinc/52/64/54/511526454.db2.gz HCHMWMWNMNMADA-SOVGHPHASA-N 0 1 363.458 2.719 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000281013595 511689136 /nfs/dbraw/zinc/68/91/36/511689136.db2.gz YVIFNAPKOBIFSY-JMSVASOKSA-N 0 1 358.276 2.840 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1[O-] ZINC000363847647 511806711 /nfs/dbraw/zinc/80/67/11/511806711.db2.gz DRBJSLSSIYWXBA-QDUSTFBWSA-N 0 1 367.449 2.917 20 10 FFCDMN CN(C)c1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC000281356432 511816576 /nfs/dbraw/zinc/81/65/76/511816576.db2.gz UOOJOTRPVHIGDP-UHFFFAOYSA-N 0 1 361.383 2.782 20 10 FFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366108046 511844317 /nfs/dbraw/zinc/84/43/17/511844317.db2.gz XDJMFIBNKRMGDJ-INIZCTEOSA-N 0 1 355.486 2.953 20 10 FFCDMN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000366322237 511958098 /nfs/dbraw/zinc/95/80/98/511958098.db2.gz WTATTZKAQZRJLI-PKOBYXMFSA-N 0 1 373.428 2.785 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000368211229 512847453 /nfs/dbraw/zinc/84/74/53/512847453.db2.gz COQQDUXYETZMLM-AUUYWEPGSA-N 0 1 354.450 2.976 20 10 FFCDMN COCCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435558951 513617945 /nfs/dbraw/zinc/61/79/45/513617945.db2.gz XKVYGXLTAMNOCX-UHFFFAOYSA-N 0 1 357.498 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCO2)C1 ZINC000435656840 513649162 /nfs/dbraw/zinc/64/91/62/513649162.db2.gz RZHVLOXQXCFYDE-MRXNPFEDSA-N 0 1 355.482 2.703 20 10 FFCDMN COCC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435721978 513668258 /nfs/dbraw/zinc/66/82/58/513668258.db2.gz KZFYBOQQRITLRO-MRXNPFEDSA-N 0 1 357.498 2.949 20 10 FFCDMN COC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC1 ZINC000435920465 513716325 /nfs/dbraw/zinc/71/63/25/513716325.db2.gz KCCCHICJPYXHMH-IBGZPJMESA-N 0 1 369.509 2.949 20 10 FFCDMN CC(C)OCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436018703 513737400 /nfs/dbraw/zinc/73/74/00/513737400.db2.gz FNBCDXPMMPKFLZ-UHFFFAOYSA-N 0 1 357.498 2.949 20 10 FFCDMN COC[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000443999935 514096513 /nfs/dbraw/zinc/09/65/13/514096513.db2.gz VAZUXEDKTNQGKV-MRXNPFEDSA-N 0 1 357.498 2.807 20 10 FFCDMN CO[C@H](C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444137766 514132985 /nfs/dbraw/zinc/13/29/85/514132985.db2.gz FTDBTJXUWSOSLE-MRXNPFEDSA-N 0 1 357.498 2.949 20 10 FFCDMN COC[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444244131 514166923 /nfs/dbraw/zinc/16/69/23/514166923.db2.gz JGENWSMJJCYNSE-KRWDZBQOSA-N 0 1 369.509 2.903 20 10 FFCDMN COC[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])COc2ccccc2C1 ZINC000528746752 516667550 /nfs/dbraw/zinc/66/75/50/516667550.db2.gz KFURKRGFOMOJRW-HXUWFJFHSA-N 0 1 359.397 2.844 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](CO)C2)C1 ZINC000578294538 519516918 /nfs/dbraw/zinc/51/69/18/519516918.db2.gz RGNBNOLPMFZWNK-SJORKVTESA-N 0 1 369.509 2.685 20 10 FFCDMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834226316 605573144 /nfs/dbraw/zinc/57/31/44/605573144.db2.gz VXZOBGRWQPBVLR-OAHLLOKOSA-N 0 1 362.430 2.675 20 10 FFCDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1[O-] ZINC000155049649 728818874 /nfs/dbraw/zinc/81/88/74/728818874.db2.gz MIGSCCRTYNLFGW-UHFFFAOYSA-N 0 1 350.434 2.909 20 10 FFCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000001215089 727774284 /nfs/dbraw/zinc/77/42/84/727774284.db2.gz SKMXVKXBRMYDJU-UKTHLTGXSA-N 0 1 373.206 2.919 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)SC2=S)CC1 ZINC000068127153 728187508 /nfs/dbraw/zinc/18/75/08/728187508.db2.gz BHUSBSTUWSWLEI-WJDWOHSUSA-N 0 1 360.504 2.917 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000092585553 728468970 /nfs/dbraw/zinc/46/89/70/728468970.db2.gz GHZJBPNKULXFHJ-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000092585553 728468971 /nfs/dbraw/zinc/46/89/71/728468971.db2.gz GHZJBPNKULXFHJ-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)c[nH]3)cc2F)CC1 ZINC000106829833 728512084 /nfs/dbraw/zinc/51/20/84/728512084.db2.gz OPTMHUZBTBUDNP-UHFFFAOYSA-N 0 1 364.852 2.879 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H](C)SC)cc2F)CC1 ZINC000119179555 728589339 /nfs/dbraw/zinc/58/93/39/728589339.db2.gz UOGSQEBIJXRNAW-AWEZNQCLSA-N 0 1 353.507 2.725 20 10 FFCDMN NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc(Cl)c1O ZINC000127256316 728705859 /nfs/dbraw/zinc/70/58/59/728705859.db2.gz MDEGZGSPPUNPQP-UHFFFAOYSA-N 0 1 373.261 2.909 20 10 FFCDMN CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000171751362 729011972 /nfs/dbraw/zinc/01/19/72/729011972.db2.gz VRZKPDHENBVJNO-OAHLLOKOSA-N 0 1 350.482 2.908 20 10 FFCDMN CCN(CC(=O)N1CCCCC1)Cc1cc(Br)ccc1O ZINC000174423742 729071662 /nfs/dbraw/zinc/07/16/62/729071662.db2.gz CXGWIKJZQHEOIB-UHFFFAOYSA-N 0 1 355.276 2.989 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(Cl)Cl)cc2F)CC1 ZINC000180455371 729214669 /nfs/dbraw/zinc/21/46/69/729214669.db2.gz DCYCVDSHKYMKDC-UHFFFAOYSA-N 0 1 362.276 2.778 20 10 FFCDMN CCN1CCN(c2ccc(CNCc3cn(C)nc3Cl)cc2F)CC1 ZINC000856768769 730356166 /nfs/dbraw/zinc/35/61/66/730356166.db2.gz BTMAZSFDTDOTMP-UHFFFAOYSA-N 0 1 365.884 2.644 20 10 FFCDMN COc1cccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858133783 730417436 /nfs/dbraw/zinc/41/74/36/730417436.db2.gz XXSKPKRZBRLGQO-INIZCTEOSA-N 0 1 352.228 2.987 20 10 FFCDMN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000858165736 730418459 /nfs/dbraw/zinc/41/84/59/730418459.db2.gz YWMKINGKXOXFMT-DUVNUKRYSA-N 0 1 367.287 2.891 20 10 FFCDMN Cc1cc(C(=O)NCCN2CC[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863832050 730811613 /nfs/dbraw/zinc/81/16/13/730811613.db2.gz SDZPYFJEXQJUBY-KRWDZBQOSA-N 0 1 361.873 2.544 20 10 FFCDMN Cc1cc(Br)cc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000775646676 738109190 /nfs/dbraw/zinc/10/91/90/738109190.db2.gz MYWOWVDSOIVYEB-MRXNPFEDSA-N 0 1 369.303 2.760 20 10 FFCDMN CS(=O)(=O)CCOc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876856364 732288238 /nfs/dbraw/zinc/28/82/38/732288238.db2.gz NAQWCLZNSRFZNS-UHFFFAOYSA-N 0 1 357.378 2.706 20 10 FFCDMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538975 732383943 /nfs/dbraw/zinc/38/39/43/732383943.db2.gz HPZNLTUCMNSNFV-SECBINFHSA-N 0 1 352.303 2.561 20 10 FFCDMN O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538975 732383947 /nfs/dbraw/zinc/38/39/47/732383947.db2.gz HPZNLTUCMNSNFV-SECBINFHSA-N 0 1 352.303 2.561 20 10 FFCDMN O=S1(=O)C[C@H]2CCN(Cc3cc(-c4ccccc4)ccc3O)C[C@H]2C1 ZINC000877793008 732433341 /nfs/dbraw/zinc/43/33/41/732433341.db2.gz LSUQHFWMYGTFLZ-MJGOQNOKSA-N 0 1 357.475 2.926 20 10 FFCDMN Cn1cc(NCc2ccc(N3CCN(C)CC3)cc2)c(Br)n1 ZINC000883163642 733345059 /nfs/dbraw/zinc/34/50/59/733345059.db2.gz GTDSSYOAZWPQRG-UHFFFAOYSA-N 0 1 364.291 2.547 20 10 FFCDMN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894747203 734909236 /nfs/dbraw/zinc/90/92/36/734909236.db2.gz IRWFWFNGGILBRF-FZMZJTMJSA-N 0 1 373.266 2.589 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895445662 735007239 /nfs/dbraw/zinc/00/72/39/735007239.db2.gz VQDQNHRLSJRNQT-WCBMZHEXSA-N 0 1 372.156 2.896 20 10 FFCDMN C[C@]1([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)COC(=O)N1 ZINC000896394028 735152297 /nfs/dbraw/zinc/15/22/97/735152297.db2.gz CWBBZAOSDVJSPL-BLLLJJGKSA-N 0 1 369.259 2.865 20 10 FFCDMN O=S(=O)(C1CC[NH+](Cc2c([O-])cccc2Cl)CC1)N1CCCCC1 ZINC000897274468 735214017 /nfs/dbraw/zinc/21/40/17/735214017.db2.gz LYKJYHGYEVGZPX-UHFFFAOYSA-N 0 1 372.918 2.826 20 10 FFCDMN O=S(=O)(C1CCN(Cc2c(O)cccc2Cl)CC1)N1CCCCC1 ZINC000897274468 735214022 /nfs/dbraw/zinc/21/40/22/735214022.db2.gz LYKJYHGYEVGZPX-UHFFFAOYSA-N 0 1 372.918 2.826 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000787422131 739135863 /nfs/dbraw/zinc/13/58/63/739135863.db2.gz AIACUODFUOXTHP-ZKYQVNSYSA-N 0 1 353.260 2.549 20 10 FFCDMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903299562 736072704 /nfs/dbraw/zinc/07/27/04/736072704.db2.gz OVEHOPDSICYWHP-MORSLUCNSA-N 0 1 354.878 2.631 20 10 FFCDMN O=C([O-])[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Oc1ccc(F)cc1 ZINC000756307752 736321799 /nfs/dbraw/zinc/32/17/99/736321799.db2.gz CHOQTQRXBQYOON-CQSZACIVSA-N 0 1 357.740 2.946 20 10 FFCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])N1CCN(C)CC1 ZINC000756543697 736340770 /nfs/dbraw/zinc/34/07/70/736340770.db2.gz HTSJQWOTFWIUEO-RYUDHWBXSA-N 0 1 374.298 2.580 20 10 FFCDMN COc1cc(Cl)cc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000761199424 736706453 /nfs/dbraw/zinc/70/64/53/736706453.db2.gz OGSYYXOBOZPGSQ-NSHDSACASA-N 0 1 366.767 2.649 20 10 FFCDMN Cc1[nH]nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C ZINC000761983502 736779066 /nfs/dbraw/zinc/77/90/66/736779066.db2.gz SNCGCFDAYIGUDU-HNNXBMFYSA-N 0 1 362.861 2.780 20 10 FFCDMN CC[NH+](CC)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792904 737050380 /nfs/dbraw/zinc/05/03/80/737050380.db2.gz ZGANJRSMRQQOHO-NSHDSACASA-N 0 1 358.280 2.684 20 10 FFCDMN CC(C)(C)[C@H](O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765175984 737091473 /nfs/dbraw/zinc/09/14/73/737091473.db2.gz HBELRXTVZOYKDB-GOEBONIOSA-N 0 1 354.878 2.533 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)O[C@H]1CCOC1 ZINC000914156618 737516982 /nfs/dbraw/zinc/51/69/82/737516982.db2.gz CUYTWOXNUQVWRX-GJZGRUSLSA-N 0 1 354.834 2.525 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCCC[C@H]21 ZINC000769415696 737526623 /nfs/dbraw/zinc/52/66/23/737526623.db2.gz ZUOKMJHYQITDEH-ZIAGYGMSSA-N 0 1 374.300 2.696 20 10 FFCDMN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004150 737862987 /nfs/dbraw/zinc/86/29/87/737862987.db2.gz GLOJEWAXXBZBTQ-GJZGRUSLSA-N 0 1 365.905 2.837 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000775286430 738078708 /nfs/dbraw/zinc/07/87/08/738078708.db2.gz IVQCRVSDSZQMNS-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000786944692 739091487 /nfs/dbraw/zinc/09/14/87/739091487.db2.gz GXECNXDWAHOTCN-CYBMUJFWSA-N 0 1 362.289 2.630 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000790416396 739451350 /nfs/dbraw/zinc/45/13/50/739451350.db2.gz WDKFEVOEDHAOOB-UHFFFAOYSA-N 0 1 353.371 2.681 20 10 FFCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031935 740093732 /nfs/dbraw/zinc/09/37/32/740093732.db2.gz MWLXUMPUHZSFGW-ZBEGNZNMSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031935 740093733 /nfs/dbraw/zinc/09/37/33/740093733.db2.gz MWLXUMPUHZSFGW-ZBEGNZNMSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031921 740093757 /nfs/dbraw/zinc/09/37/57/740093757.db2.gz MWLXUMPUHZSFGW-BDJLRTHQSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCCOC2)O1 ZINC000796031921 740093762 /nfs/dbraw/zinc/09/37/62/740093762.db2.gz MWLXUMPUHZSFGW-BDJLRTHQSA-N 0 1 356.806 2.724 20 10 FFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000797070260 740209288 /nfs/dbraw/zinc/20/92/88/740209288.db2.gz KAHNSIWKTLWNPK-VHSXEESVSA-N 0 1 362.289 2.771 20 10 FFCDMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Cl ZINC000799187612 740398507 /nfs/dbraw/zinc/39/85/07/740398507.db2.gz WPLGZCZXKOXYHF-UHFFFAOYSA-N 0 1 366.830 2.739 20 10 FFCDMN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000800899568 740562379 /nfs/dbraw/zinc/56/23/79/740562379.db2.gz OLIXLGWFJOPCPW-AWEZNQCLSA-N 0 1 360.841 2.815 20 10 FFCDMN COCCO[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000802651789 740715313 /nfs/dbraw/zinc/71/53/13/740715313.db2.gz BOLJCHCTJITXHF-CQSZACIVSA-N 0 1 374.275 2.791 20 10 FFCDMN COCCn1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805451869 740973457 /nfs/dbraw/zinc/97/34/57/740973457.db2.gz GKQGCUPYLLYTOV-UHFFFAOYSA-N 0 1 373.240 2.541 20 10 FFCDMN C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000806179287 741045655 /nfs/dbraw/zinc/04/56/55/741045655.db2.gz QNPUUHSQOJHEPM-AAEUAGOBSA-N 0 1 351.244 2.976 20 10 FFCDMN CC(C)n1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807513667 741138058 /nfs/dbraw/zinc/13/80/58/741138058.db2.gz RVBUKJAZDYOYRD-UHFFFAOYSA-N 0 1 371.224 2.731 20 10 FFCDMN CC(C)CN1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807833514 741162305 /nfs/dbraw/zinc/16/23/05/741162305.db2.gz ARAWKYGIKVGDOZ-LLVKDONJSA-N 0 1 359.253 2.820 20 10 FFCDMN CN(C)C(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807834937 741162361 /nfs/dbraw/zinc/16/23/61/741162361.db2.gz SKPQBGAPSOMUNK-UHFFFAOYSA-N 0 1 374.268 2.709 20 10 FFCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccnc(N2CCOCC2)n1 ZINC000808090150 741184936 /nfs/dbraw/zinc/18/49/36/741184936.db2.gz QYWJQJARRFPCBB-UHFFFAOYSA-N 0 1 355.225 2.938 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000809700778 741333837 /nfs/dbraw/zinc/33/38/37/741333837.db2.gz NZJPYPDGTPLMDN-ZFWWWQNUSA-N 0 1 369.303 2.758 20 10 FFCDMN CNC(=O)OC[C@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000809779492 741342735 /nfs/dbraw/zinc/34/27/35/741342735.db2.gz OYFPOOHVCJCBGH-CYBMUJFWSA-N 0 1 357.248 2.865 20 10 FFCDMN COC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000813684395 741748753 /nfs/dbraw/zinc/74/87/53/741748753.db2.gz PRKDFWFVZOVPFN-UHFFFAOYSA-N 0 1 355.177 2.811 20 10 FFCDMN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(Cl)c(F)cc1O ZINC000816591396 742044823 /nfs/dbraw/zinc/04/48/23/742044823.db2.gz CWAZXOIQRYCKAL-HNNXBMFYSA-N 0 1 352.793 2.844 20 10 FFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564027 743106470 /nfs/dbraw/zinc/10/64/70/743106470.db2.gz FYQRNXLTBDUYET-LBPRGKRZSA-N 0 1 362.829 2.502 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824653924 743123330 /nfs/dbraw/zinc/12/33/30/743123330.db2.gz JMQGDOJXHQHDFG-UMVBOHGHSA-N 0 1 356.260 2.517 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3ccnc(F)c3)CC2)c1[O-] ZINC000824804905 743151764 /nfs/dbraw/zinc/15/17/64/743151764.db2.gz BIHPEURRWYRLRN-UHFFFAOYSA-N 0 1 366.780 2.810 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000825358246 743255762 /nfs/dbraw/zinc/25/57/62/743255762.db2.gz PLWQQHXERMENRP-CVEARBPZSA-N 0 1 369.303 2.888 20 10 FFCDMN Oc1cc(Br)ccc1CN1CCC(Oc2cnccn2)CC1 ZINC000825716093 743317199 /nfs/dbraw/zinc/31/71/99/743317199.db2.gz NUTSCFWFZODBBN-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN COC(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825893053 743339530 /nfs/dbraw/zinc/33/95/30/743339530.db2.gz NJFNIFUSFYMUAD-UHFFFAOYSA-N 0 1 357.248 2.723 20 10 FFCDMN O=S(=O)(CCC[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000827618329 744949008 /nfs/dbraw/zinc/94/90/08/744949008.db2.gz QAQDLPLQHPWXQG-JTQLQIEISA-N 0 1 368.282 2.935 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC(N3CCOC3=O)CC2)c1O ZINC000827740951 744969061 /nfs/dbraw/zinc/96/90/61/744969061.db2.gz JSVZFAKVIHPOQW-UHFFFAOYSA-N 0 1 369.259 2.880 20 10 FFCDMN NC(=O)C1(NCc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000839011366 746754533 /nfs/dbraw/zinc/75/45/33/746754533.db2.gz HUCPJRKHWVVOML-UHFFFAOYSA-N 0 1 352.276 2.547 20 10 FFCDMN COCc1cc(O)ccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000840916769 747223775 /nfs/dbraw/zinc/22/37/75/747223775.db2.gz DAVJZIIJUKYGLI-UHFFFAOYSA-N 0 1 366.395 2.864 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[O-] ZINC000841746297 747447538 /nfs/dbraw/zinc/44/75/38/747447538.db2.gz XTLYOAMKYPTBJW-DGCLKSJQSA-N 0 1 365.813 2.865 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1 ZINC000843041075 747753658 /nfs/dbraw/zinc/75/36/58/747753658.db2.gz NIYFCDYIMGYXMD-UHFFFAOYSA-N 0 1 372.259 2.919 20 10 FFCDMN Cc1cc(Br)c(O)c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1 ZINC000843041075 747753659 /nfs/dbraw/zinc/75/36/59/747753659.db2.gz NIYFCDYIMGYXMD-UHFFFAOYSA-N 0 1 372.259 2.919 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844301662 747999889 /nfs/dbraw/zinc/99/98/89/747999889.db2.gz VQVFBLLRBJQFHM-AWEZNQCLSA-N 0 1 369.259 2.960 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844301662 747999892 /nfs/dbraw/zinc/99/98/92/747999892.db2.gz VQVFBLLRBJQFHM-AWEZNQCLSA-N 0 1 369.259 2.960 20 10 FFCDMN C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000844322891 748004493 /nfs/dbraw/zinc/00/44/93/748004493.db2.gz QIXBOIQDSIKZNI-LBPRGKRZSA-N 0 1 367.902 2.904 20 10 FFCDMN COc1cccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000846139557 748414698 /nfs/dbraw/zinc/41/46/98/748414698.db2.gz VMRGSMRHYCAJNR-ZDUSSCGKSA-N 0 1 364.467 2.502 20 10 FFCDMN C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563577 748961625 /nfs/dbraw/zinc/96/16/25/748961625.db2.gz VICYHCSWUPOPJO-UPJWGTAASA-N 0 1 357.292 2.742 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848569483 748962982 /nfs/dbraw/zinc/96/29/82/748962982.db2.gz FDSQQHFTYSPZEN-JOYOIKCWSA-N 0 1 355.232 2.789 20 10 FFCDMN CCN(CC)c1ccc(CNCCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850363778 749353036 /nfs/dbraw/zinc/35/30/36/749353036.db2.gz HCFUVOLPNNDBFG-UHFFFAOYSA-N 0 1 352.422 2.600 20 10 FFCDMN CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000850555125 749386748 /nfs/dbraw/zinc/38/67/48/749386748.db2.gz HCRXJOSNMRHLMD-SNVBAGLBSA-N 0 1 362.289 2.773 20 10 FFCDMN CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852413425 749854379 /nfs/dbraw/zinc/85/43/79/749854379.db2.gz VSXRIWXFSJVZEJ-GFCCVEGCSA-N 0 1 370.291 2.827 20 10 FFCDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852413425 749854385 /nfs/dbraw/zinc/85/43/85/749854385.db2.gz VSXRIWXFSJVZEJ-GFCCVEGCSA-N 0 1 370.291 2.827 20 10 FFCDMN COc1ccc2ccc(O)c(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000014265990 845028919 /nfs/dbraw/zinc/02/89/19/845028919.db2.gz ZFXGKYCWPFSTIY-OAHLLOKOSA-N 0 1 361.463 2.706 20 10 FFCDMN O=C1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)CN1C1COC1 ZINC001275841113 1013071266 /nfs/dbraw/zinc/07/12/66/1013071266.db2.gz XBFOYQYZSPNJKX-UHFFFAOYSA-N 0 1 364.873 2.649 20 10 FFCDMN COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275896022 1013155038 /nfs/dbraw/zinc/15/50/38/1013155038.db2.gz RRKGTAHITRUDRD-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN COCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275896022 1013155045 /nfs/dbraw/zinc/15/50/45/1013155045.db2.gz RRKGTAHITRUDRD-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN COCCCN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275896312 1013158313 /nfs/dbraw/zinc/15/83/13/1013158313.db2.gz XJXCLVIOUKWKIW-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN COCCCN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001275896312 1013158320 /nfs/dbraw/zinc/15/83/20/1013158320.db2.gz XJXCLVIOUKWKIW-SFHVURJKSA-N 0 1 352.862 2.507 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccc(F)cc1O ZINC001603242512 972391595 /nfs/dbraw/zinc/39/15/95/972391595.db2.gz HFDRRXZEKSLFJO-IWEFOYFVSA-N 0 1 372.396 2.609 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(CCCO)C2CC2)C1 ZINC000683499384 960794423 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CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2c(O)cc(OC)cc2OC)C1=O ZINC001275434900 1012458600 /nfs/dbraw/zinc/45/86/00/1012458600.db2.gz AJBKGLLXHDPMAY-VLIAUNLRSA-N 0 1 362.470 2.775 20 10 FFCDMN COc1cc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)cc(O)c1O ZINC001275675673 1012824600 /nfs/dbraw/zinc/82/46/00/1012824600.db2.gz IEROMUKVPCOASW-UHFFFAOYSA-N 0 1 362.470 2.577 20 10 FFCDMN COc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)cc(O)c1O ZINC001275676686 1012836103 /nfs/dbraw/zinc/83/61/03/1012836103.db2.gz RKRVAIBEHSWMDM-HZPDHXFCSA-N 0 1 360.454 2.638 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@@]3(CCN(Cc4nccs4)C3)C2=O)cc1 ZINC001275722967 1012924000 /nfs/dbraw/zinc/92/40/00/1012924000.db2.gz BLYKNMWTVUSKAC-HXUWFJFHSA-N 0 1 370.522 2.834 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn2c1CCC2 ZINC000827095500 1017103186 /nfs/dbraw/zinc/10/31/86/1017103186.db2.gz IAQNPAWSPVQLHD-OAHLLOKOSA-N 0 1 374.872 2.583 20 10 FFCDMN COc1cccc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)c1 ZINC001217553403 1032779856 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O=C1c2ccc(O[C@@H]3CCNCC3(F)F)cc2C(=O)c2ccc(O)cc21 ZINC001218006436 1032946155 /nfs/dbraw/zinc/94/61/55/1032946155.db2.gz LGMUCWYUGYCFSM-MRXNPFEDSA-N 0 1 359.328 2.544 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934689556 1021350336 /nfs/dbraw/zinc/35/03/36/1021350336.db2.gz OXCBJVWFOLNGOG-OAQYLSRUSA-N 0 1 352.482 2.847 20 10 FFCDMN CC(C)[C@H](O)COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001118458875 1022243930 /nfs/dbraw/zinc/24/39/30/1022243930.db2.gz NQBJCDFIEYPLSJ-HXUWFJFHSA-N 0 1 358.482 2.968 20 10 FFCDMN COc1cc(N2CCN(C[C@H]3CCC(C)(C)O3)CC2)cc(OC)c1OC ZINC000187549574 1022492667 /nfs/dbraw/zinc/49/26/67/1022492667.db2.gz FJQCXBRHOQSJCN-MRXNPFEDSA-N 0 1 364.486 2.792 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)N3CCN(C)C[C@H]3C(C)C)CC2)cc1 ZINC000158633150 1022549100 /nfs/dbraw/zinc/54/91/00/1022549100.db2.gz QKWCPLBYXNAYEF-FQEVSTJZSA-N 0 1 374.529 2.646 20 10 FFCDMN O=C1c2ccc(O[C@@H]3CNCC(F)(F)C3)cc2C(=O)c2ccc(O)cc21 ZINC001218275123 1033080237 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FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CCN1CC[C@H](F)C1 ZINC001149899877 1031617044 /nfs/dbraw/zinc/61/70/44/1031617044.db2.gz JPLMSHLBELTUJI-AWEZNQCLSA-N 0 1 373.266 2.937 20 10 FFCDMN CCC/C=C/[C@H](O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001150355588 1031703013 /nfs/dbraw/zinc/70/30/13/1031703013.db2.gz YKOHJUHZSBOGNG-NQMAARMTSA-N 0 1 366.889 2.843 20 10 FFCDMN CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001150355587 1031703045 /nfs/dbraw/zinc/70/30/45/1031703045.db2.gz YKOHJUHZSBOGNG-KOEAPFFJSA-N 0 1 366.889 2.843 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)no3)cc2F)CC1 ZINC000799332875 1031737802 /nfs/dbraw/zinc/73/78/02/1031737802.db2.gz DYNISRGMDXATEU-UHFFFAOYSA-N 0 1 372.444 2.763 20 10 FFCDMN CC[C@H]1C(=O)N(CC)CCN1Cc1cc(Br)cc(F)c1O ZINC001205480714 1031778490 /nfs/dbraw/zinc/77/84/90/1031778490.db2.gz JVKRXXBGJAWBNX-ZDUSSCGKSA-N 0 1 359.239 2.737 20 10 FFCDMN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)CC2)cc1 ZINC001151503105 1031969984 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CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000856594081 730346510 /nfs/dbraw/zinc/34/65/10/730346510.db2.gz DOXKYFFUUQJMCM-KRWDZBQOSA-N 0 1 369.824 2.700 20 10 FFCDMN CC(C)CN1CCO[C@@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858088139 730416191 /nfs/dbraw/zinc/41/61/91/730416191.db2.gz ROKADSNVEZGKET-ZDUSSCGKSA-N 0 1 357.292 2.601 20 10 FFCDMN CN(C)c1cc(F)c(CNCc2cccc(CS(C)(=O)=O)c2)cc1F ZINC000858117421 730417031 /nfs/dbraw/zinc/41/70/31/730417031.db2.gz MVKISMOUYVRABI-UHFFFAOYSA-N 0 1 368.449 2.865 20 10 FFCDMN C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c([O-])cccc1Br ZINC000862350815 730690583 /nfs/dbraw/zinc/69/05/83/730690583.db2.gz CEOLCPUAKNVPPG-ZDUSSCGKSA-N 0 1 369.303 2.840 20 10 FFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([O-])cccc1Br ZINC000862350815 730690584 /nfs/dbraw/zinc/69/05/84/730690584.db2.gz CEOLCPUAKNVPPG-ZDUSSCGKSA-N 0 1 369.303 2.840 20 10 FFCDMN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862402766 730697731 /nfs/dbraw/zinc/69/77/31/730697731.db2.gz RGSOJZJWZBHYAH-OAHLLOKOSA-N 0 1 367.287 2.891 20 10 FFCDMN C[C@@](CO)([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000862431022 730702144 /nfs/dbraw/zinc/70/21/44/730702144.db2.gz BNWPAMLCLNEELO-INIZCTEOSA-N 0 1 352.228 2.858 20 10 FFCDMN C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1[O-] ZINC000862542835 730708176 /nfs/dbraw/zinc/70/81/76/730708176.db2.gz BJFQCIDNRJVNSY-UHFFFAOYSA-N 0 1 362.813 2.887 20 10 FFCDMN Cn1ncc(I)c1CN[C@H]1CCc2cccc(O)c21 ZINC000866632185 731081737 /nfs/dbraw/zinc/08/17/37/731081737.db2.gz VCTIODASCXRGNW-NSHDSACASA-N 0 1 369.206 2.507 20 10 FFCDMN COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000877712024 732417534 /nfs/dbraw/zinc/41/75/34/732417534.db2.gz AEGIQESKWUDLHO-HNNXBMFYSA-N 0 1 359.209 2.593 20 10 FFCDMN COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000877712024 732417536 /nfs/dbraw/zinc/41/75/36/732417536.db2.gz AEGIQESKWUDLHO-HNNXBMFYSA-N 0 1 359.209 2.593 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877728463 732420435 /nfs/dbraw/zinc/42/04/35/732420435.db2.gz PKMREEXDFXJKRT-CQSZACIVSA-N 0 1 356.260 2.830 20 10 FFCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1[O-] ZINC000926947407 738671828 /nfs/dbraw/zinc/67/18/28/738671828.db2.gz JODPDOAIWPOWJN-ILHHOCCXSA-N 0 1 356.260 2.999 20 10 FFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Br)cc1[O-] ZINC000927038858 738684585 /nfs/dbraw/zinc/68/45/85/738684585.db2.gz GZTQBHSBPPOTSS-SMHCIBLRSA-N 0 1 374.300 2.914 20 10 FFCDMN CCCN(CC(F)F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889669887 734206364 /nfs/dbraw/zinc/20/63/64/734206364.db2.gz GEBNTISOEIPGGN-UHFFFAOYSA-N 0 1 354.445 2.625 20 10 FFCDMN O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000890757734 734336413 /nfs/dbraw/zinc/33/64/13/734336413.db2.gz JTCWOUSMEYBVDQ-MRXNPFEDSA-N 0 1 359.857 2.969 20 10 FFCDMN O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000890757734 734336416 /nfs/dbraw/zinc/33/64/16/734336416.db2.gz JTCWOUSMEYBVDQ-MRXNPFEDSA-N 0 1 359.857 2.969 20 10 FFCDMN COCCN1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729980136 734606629 /nfs/dbraw/zinc/60/66/29/734606629.db2.gz MCPPSJSQZXHQIS-INIZCTEOSA-N 0 1 361.511 2.996 20 10 FFCDMN Cc1nc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1C ZINC000893327349 734687403 /nfs/dbraw/zinc/68/74/03/734687403.db2.gz ANFFRYRUVBXDBF-MRXNPFEDSA-N 0 1 358.511 2.751 20 10 FFCDMN Cn1ncc2c1CCCN(Cc1cc(Br)cc(F)c1O)C2 ZINC000894985081 734948542 /nfs/dbraw/zinc/94/85/42/734948542.db2.gz DYXRAJZXZXPXPH-UHFFFAOYSA-N 0 1 354.223 2.976 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000895053646 734958101 /nfs/dbraw/zinc/95/81/01/734958101.db2.gz QJHBLZPJXONDNP-LBPRGKRZSA-N 0 1 355.211 2.722 20 10 FFCDMN CN(C)c1ccc(CN(C2CC2)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744501 734960135 /nfs/dbraw/zinc/96/01/35/734960135.db2.gz SARDPGKIQDCUPQ-INIZCTEOSA-N 0 1 355.404 2.880 20 10 FFCDMN COC(=O)c1nc(CNCc2ccc(OC)c(OC)c2O)ccc1Cl ZINC000895342231 734993646 /nfs/dbraw/zinc/99/36/46/734993646.db2.gz NZUNZUWZFYZLPM-UHFFFAOYSA-N 0 1 366.801 2.534 20 10 FFCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1(CO)CCOCC1 ZINC000895358381 734995339 /nfs/dbraw/zinc/99/53/39/734995339.db2.gz VSQXPNDSBNNBEH-UHFFFAOYSA-N 0 1 364.667 2.781 20 10 FFCDMN CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895438582 735006333 /nfs/dbraw/zinc/00/63/33/735006333.db2.gz ZSTQPTZINPSLAU-CYBMUJFWSA-N 0 1 359.239 2.784 20 10 FFCDMN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895438582 735006335 /nfs/dbraw/zinc/00/63/35/735006335.db2.gz ZSTQPTZINPSLAU-CYBMUJFWSA-N 0 1 359.239 2.784 20 10 FFCDMN C[C@@]1(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)COC(=O)N1 ZINC000896468059 735166301 /nfs/dbraw/zinc/16/63/01/735166301.db2.gz VUVBJYJXBKBRLF-INIZCTEOSA-N 0 1 369.259 2.865 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896621738 735177108 /nfs/dbraw/zinc/17/71/08/735177108.db2.gz CYDWPGUKWAKWHR-UHFFFAOYSA-N 0 1 356.260 2.566 20 10 FFCDMN O=C1OCCCN1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000897591314 735252487 /nfs/dbraw/zinc/25/24/87/735252487.db2.gz KFZMLJNUIZZUCS-UHFFFAOYSA-N 0 1 369.259 2.961 20 10 FFCDMN Cc1nnc(SCC(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC000748850051 735676763 /nfs/dbraw/zinc/67/67/63/735676763.db2.gz KWJKGOYUMGJWPD-UHFFFAOYSA-N 0 1 358.423 2.733 20 10 FFCDMN Cc1n[nH]c(SCC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000748850051 735676765 /nfs/dbraw/zinc/67/67/65/735676765.db2.gz KWJKGOYUMGJWPD-UHFFFAOYSA-N 0 1 358.423 2.733 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000787422127 739135702 /nfs/dbraw/zinc/13/57/02/739135702.db2.gz AIACUODFUOXTHP-SUHUHFCYSA-N 0 1 353.260 2.549 20 10 FFCDMN COc1cc(O)ccc1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000901703230 735823035 /nfs/dbraw/zinc/82/30/35/735823035.db2.gz PZALQHUKEHZVIB-MRXNPFEDSA-N 0 1 355.387 2.669 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000757653551 736416341 /nfs/dbraw/zinc/41/63/41/736416341.db2.gz JLKQAGUGIMOMTG-JQWIXIFHSA-N 0 1 362.289 2.773 20 10 FFCDMN C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C[NH+]1CCCC1 ZINC000764790190 737050206 /nfs/dbraw/zinc/05/02/06/737050206.db2.gz IBANUWSSBISFGD-GFCCVEGCSA-N 0 1 370.291 2.686 20 10 FFCDMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290078 737105403 /nfs/dbraw/zinc/10/54/03/737105403.db2.gz HECARVVTPWUALA-HZMBPMFUSA-N 0 1 352.784 2.750 20 10 FFCDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290081 737105541 /nfs/dbraw/zinc/10/55/41/737105541.db2.gz HECARVVTPWUALA-QMTHXVAHSA-N 0 1 352.784 2.750 20 10 FFCDMN NC(=O)[C@@H]1c2ccccc2CCN1Cc1cccc(Br)c1O ZINC000769187964 737505157 /nfs/dbraw/zinc/50/51/57/737505157.db2.gz CXQNYXFKEMDSOZ-HNNXBMFYSA-N 0 1 361.239 2.739 20 10 FFCDMN COCCN(CC(=O)OC(C)(C)C)Cc1cccc(Br)c1O ZINC000769233179 737508841 /nfs/dbraw/zinc/50/88/41/737508841.db2.gz OGPPPILULPFEIS-UHFFFAOYSA-N 0 1 374.275 2.945 20 10 FFCDMN C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000769465850 737532262 /nfs/dbraw/zinc/53/22/62/737532262.db2.gz DVMJJNPOCFCXHV-UHFFFAOYSA-N 0 1 363.255 2.903 20 10 FFCDMN O=C1NCCN(Cc2cccc(Br)c2O)[C@@H]1c1cccs1 ZINC000769477978 737533999 /nfs/dbraw/zinc/53/39/99/737533999.db2.gz BZVZLTJRRNGPJE-CYBMUJFWSA-N 0 1 367.268 2.889 20 10 FFCDMN CN(C)c1ccc(CN(Cc2cc(=O)n3ccsc3n2)C2CC2)cc1 ZINC000771791343 737756025 /nfs/dbraw/zinc/75/60/25/737756025.db2.gz OERZVMBXHDIZHV-UHFFFAOYSA-N 0 1 354.479 2.987 20 10 FFCDMN CC(C)(C)OC(=O)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000917488600 737760891 /nfs/dbraw/zinc/76/08/91/737760891.db2.gz UNAIBLGBVIODRQ-UHFFFAOYSA-N 0 1 350.415 2.564 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCO1 ZINC000772486716 737817635 /nfs/dbraw/zinc/81/76/35/737817635.db2.gz GDQLCQSETYRYIW-DOTOQJQBSA-N 0 1 352.862 2.695 20 10 FFCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Br)ccc1O ZINC000776014210 738152237 /nfs/dbraw/zinc/15/22/37/738152237.db2.gz QKRVXNLGKDIBFA-UONOGXRCSA-N 0 1 372.259 2.697 20 10 FFCDMN O=S1(=O)CCN(c2ccc(CNCc3sccc3Cl)cc2)CC1 ZINC000785467392 738966320 /nfs/dbraw/zinc/96/63/20/738966320.db2.gz XBPOBWSOXLTNLE-UHFFFAOYSA-N 0 1 370.927 2.926 20 10 FFCDMN COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccs1 ZINC000789572821 739369313 /nfs/dbraw/zinc/36/93/13/739369313.db2.gz REFKENFXMZJXFM-SFHVURJKSA-N 0 1 359.495 2.504 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC000790415353 739451010 /nfs/dbraw/zinc/45/10/10/739451010.db2.gz DUBXXHJXQWXJIO-UHFFFAOYSA-N 0 1 365.407 2.551 20 10 FFCDMN Cn1cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)s2)cn1 ZINC000800793170 740549108 /nfs/dbraw/zinc/54/91/08/740549108.db2.gz IENYUNCQFRNTJD-DHDCSXOGSA-N 0 1 350.403 2.610 20 10 FFCDMN NC(=O)c1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000804903380 740914329 /nfs/dbraw/zinc/91/43/29/740914329.db2.gz LDGSWQZCJVWIGI-UHFFFAOYSA-N 0 1 368.220 2.797 20 10 FFCDMN CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805036211 740928966 /nfs/dbraw/zinc/92/89/66/740928966.db2.gz AJTGRDZBNXNYFD-IUCAKERBSA-N 0 1 362.257 2.801 20 10 FFCDMN Cc1n[nH]c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135386 740943683 /nfs/dbraw/zinc/94/36/83/740943683.db2.gz KUMZUXQKGJGBFN-UHFFFAOYSA-N 0 1 350.227 2.517 20 10 FFCDMN O=C(NCCCO[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805195825 740949029 /nfs/dbraw/zinc/94/90/29/740949029.db2.gz DARIRSXIKOUNOO-LBPRGKRZSA-N 0 1 363.241 2.694 20 10 FFCDMN CC(C)C(=O)NCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805232626 740951397 /nfs/dbraw/zinc/95/13/97/740951397.db2.gz ZGSQLEOFHYOLAJ-UHFFFAOYSA-N 0 1 362.257 2.661 20 10 FFCDMN CC(C)(C)N1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805381558 740965426 /nfs/dbraw/zinc/96/54/26/740965426.db2.gz KAXSTWFCBMUBJC-NSHDSACASA-N 0 1 374.268 2.898 20 10 FFCDMN COC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000805390783 740965967 /nfs/dbraw/zinc/96/59/67/740965967.db2.gz OPJAMWKESYIIHF-OLZOCXBDSA-N 0 1 363.241 2.692 20 10 FFCDMN CS(=O)(=O)CC1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807835763 741162962 /nfs/dbraw/zinc/16/29/62/741162962.db2.gz 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742138503 /nfs/dbraw/zinc/13/85/03/742138503.db2.gz KIHPKQJTPJZZPI-UHFFFAOYSA-N 0 1 362.861 2.813 20 10 FFCDMN COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000818357630 742266639 /nfs/dbraw/zinc/26/66/39/742266639.db2.gz COAZNKRLXGZYQQ-BDAKNGLRSA-N 0 1 351.384 2.955 20 10 FFCDMN O=S1(=O)CC[C@]2(C1)CCCN(Cc1cccc(Br)c1O)C2 ZINC000824978054 743188764 /nfs/dbraw/zinc/18/87/64/743188764.db2.gz ROYGMTAQZCQNIA-OAHLLOKOSA-N 0 1 374.300 2.555 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000825375336 743258268 /nfs/dbraw/zinc/25/82/68/743258268.db2.gz LQXTYLKBJFBZAZ-HNNXBMFYSA-N 0 1 354.219 2.987 20 10 FFCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000826534628 743391552 /nfs/dbraw/zinc/39/15/52/743391552.db2.gz IQEFGLLUBRRLTQ-RWMBFGLXSA-N 0 1 357.292 2.742 20 10 FFCDMN CC(C)CN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000827281677 743547242 /nfs/dbraw/zinc/54/72/42/743547242.db2.gz JJIAVVMWAAPYGF-UHFFFAOYSA-N 0 1 358.511 2.730 20 10 FFCDMN CO[C@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000827619014 744949559 /nfs/dbraw/zinc/94/95/59/744949559.db2.gz VNKRVPJOHUBHJF-GFCCVEGCSA-N 0 1 356.271 2.789 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827634392 744951518 /nfs/dbraw/zinc/95/15/18/744951518.db2.gz OIZVYAOCNFUHPX-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000827634392 744951523 /nfs/dbraw/zinc/95/15/23/744951523.db2.gz OIZVYAOCNFUHPX-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN Cn1cc(-c2cc3c(nn2)CC[N@@H+](Cc2cccc(Cl)c2[O-])C3)cn1 ZINC000828103861 745028109 /nfs/dbraw/zinc/02/81/09/745028109.db2.gz CDRSNMYZWZXQNB-UHFFFAOYSA-N 0 1 355.829 2.794 20 10 FFCDMN CO[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544637 745378183 /nfs/dbraw/zinc/37/81/83/745378183.db2.gz SDNYRYHXIIEFOA-IAOVAPTHSA-N 0 1 366.889 2.941 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834850444 745914050 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C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824570690 996994721 /nfs/dbraw/zinc/99/47/21/996994721.db2.gz DSLYUVJWULHEKQ-MRXNPFEDSA-N 0 1 360.454 2.863 20 10 FFCDMN COC(=O)c1c(C[NH2+]Cc2ccc(C(=O)[O-])o2)c2cc(F)ccc2n1C ZINC001598910754 997364372 /nfs/dbraw/zinc/36/43/72/997364372.db2.gz RHOWAGIBFBHGBJ-UHFFFAOYSA-N 0 1 360.341 2.685 20 10 FFCDMN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCc4n[nH]nc43)cc2)CC1 ZINC000826861077 1016137553 /nfs/dbraw/zinc/13/75/53/1016137553.db2.gz AKDVZKMIWYVUQD-KRWDZBQOSA-N 0 1 353.470 2.777 20 10 FFCDMN COc1c(O)c(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599345912 998006284 /nfs/dbraw/zinc/00/62/84/998006284.db2.gz UETJBQDTRNYOMO-DOMZBBRYSA-N 0 1 374.393 2.731 20 10 FFCDMN CC[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001144515974 998627048 /nfs/dbraw/zinc/62/70/48/998627048.db2.gz LHGZWKKUGOBNSV-ZDUSSCGKSA-N 0 1 366.458 2.882 20 10 FFCDMN CCN1C[C@H](C)N(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254002 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CN(C)c1cc(F)c(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC001351508878 1056299163 /nfs/dbraw/zinc/29/91/63/1056299163.db2.gz VVPKGMRFUIKVQM-BEFAXECRSA-N 0 1 350.409 2.605 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001351511027 1056301422 /nfs/dbraw/zinc/30/14/22/1056301422.db2.gz KDTADGIKIPXNHV-WBMJQRKESA-N 0 1 370.287 2.812 20 10 FFCDMN C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000849230054 1056804345 /nfs/dbraw/zinc/80/43/45/1056804345.db2.gz AASZQPUPBNFQMM-DYESRHJHSA-N 0 1 367.493 2.785 20 10 FFCDMN Cc1cc([C@@H]2CCCCN2CC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC001473828910 1065379933 /nfs/dbraw/zinc/37/99/33/1065379933.db2.gz JBNWZPFSSYXIMS-IBGZPJMESA-N 0 1 355.486 2.628 20 10 FFCDMN COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC001474746655 1065596704 /nfs/dbraw/zinc/59/67/04/1065596704.db2.gz AGOBBUPDDLJPSO-CQSZACIVSA-N 0 1 350.346 2.925 20 10 FFCDMN Cc1nc(N2CCN(Cc3ccc(N4CCCCC4)c(C)c3)CC2)n[nH]1 ZINC001560103022 1076227148 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HQHPQNWUDREXBF-SNVBAGLBSA-N 0 1 353.216 2.542 20 10 FFCDMN Cn1ccnc1[C@@](O)(CC[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000113326548 508260852 /nfs/dbraw/zinc/26/08/52/508260852.db2.gz GHQFRMLOLWYIQC-AWEZNQCLSA-N 0 1 363.767 2.709 20 10 FFCDMN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186030355 509489578 /nfs/dbraw/zinc/48/95/78/509489578.db2.gz YISOODCKGMBPJI-UWVGGRQHSA-N 0 1 350.278 2.629 20 10 FFCDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000264691074 509650126 /nfs/dbraw/zinc/65/01/26/509650126.db2.gz HJUWHMDWKZHSBW-ZDUSSCGKSA-N 0 1 371.437 2.818 20 10 FFCDMN COC(=O)C=Cc1ccc(N2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000268385228 509901212 /nfs/dbraw/zinc/90/12/12/509901212.db2.gz KQHBRZWCAGHXPL-OWNNVSBGSA-N 0 1 371.397 2.592 20 10 FFCDMN COC(=O)C=Cc1ccc(N2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268385228 509901220 /nfs/dbraw/zinc/90/12/20/509901220.db2.gz KQHBRZWCAGHXPL-OWNNVSBGSA-N 0 1 371.397 2.592 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191196504 510544412 /nfs/dbraw/zinc/54/44/12/510544412.db2.gz DPEJJOIOUSLELH-CYBMUJFWSA-N 0 1 362.424 2.668 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276752643 510945944 /nfs/dbraw/zinc/94/59/44/510945944.db2.gz FUHSYFVDPAJMML-CQSZACIVSA-N 0 1 353.260 2.660 20 10 FFCDMN O=C(c1cc(F)cc2nn[nH]c21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278368650 510990671 /nfs/dbraw/zinc/99/06/71/510990671.db2.gz MFQQKHBJEDEGDM-CQSZACIVSA-N 0 1 370.384 2.624 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000288484134 511077437 /nfs/dbraw/zinc/07/74/37/511077437.db2.gz GRPGFTWYEAIONK-CZUORRHYSA-N 0 1 350.212 2.739 20 10 FFCDMN CCN(Cc1ccc(OC)nn1)Cc1cc(Br)ccc1O ZINC000283066670 511221053 /nfs/dbraw/zinc/22/10/53/511221053.db2.gz JUGOGBDUTKMBQD-UHFFFAOYSA-N 0 1 352.232 2.975 20 10 FFCDMN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1OC(F)(F)F ZINC000280337499 511426921 /nfs/dbraw/zinc/42/69/21/511426921.db2.gz RSLPZQXGIIIPFG-GFCCVEGCSA-N 0 1 371.311 2.843 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000280470596 511478512 /nfs/dbraw/zinc/47/85/12/511478512.db2.gz YOVPDFRVUUKTIE-OAHLLOKOSA-N 0 1 370.449 2.894 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)c3nc(C)oc3C)cc2F)CC1 ZINC000292582168 511651014 /nfs/dbraw/zinc/65/10/14/511651014.db2.gz AVGOHIRKKVTIAX-UHFFFAOYSA-N 0 1 360.433 2.502 20 10 FFCDMN CCc1nc(C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302739446 511711075 /nfs/dbraw/zinc/71/10/75/511711075.db2.gz YGTXOFCBYHWQHR-UHFFFAOYSA-N 0 1 361.402 2.677 20 10 FFCDMN CCc1nnc(C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000302739446 511711079 /nfs/dbraw/zinc/71/10/79/511711079.db2.gz YGTXOFCBYHWQHR-UHFFFAOYSA-N 0 1 361.402 2.677 20 10 FFCDMN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000292868545 511752190 /nfs/dbraw/zinc/75/21/90/511752190.db2.gz WCEFWSIIFXDTLI-DYVFJYSZSA-N 0 1 353.846 2.836 20 10 FFCDMN CCOc1ccc(O)c(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281416444 511839859 /nfs/dbraw/zinc/83/98/59/511839859.db2.gz YQTKWSBLCWNMLZ-UHFFFAOYSA-N 0 1 360.376 2.681 20 10 FFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507053 511990044 /nfs/dbraw/zinc/99/00/44/511990044.db2.gz AJDZZNBRXLPZEA-BZNIZROVSA-N 0 1 353.825 2.864 20 10 FFCDMN c1ccc2c(c1)OC1(CCN(Cc3ccc(N4CCOCC4)cc3)C1)O2 ZINC000377835951 512475600 /nfs/dbraw/zinc/47/56/00/512475600.db2.gz XSMWSMURCZGZPN-UHFFFAOYSA-N 0 1 352.434 2.897 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000367761620 512651561 /nfs/dbraw/zinc/65/15/61/512651561.db2.gz SRJWRBKNPHHIIP-LLVKDONJSA-N 0 1 355.225 2.779 20 10 FFCDMN Cc1nc(=NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)s[n-]1 ZINC000570388266 518580858 /nfs/dbraw/zinc/58/08/58/518580858.db2.gz BPPIVUODSFRRIM-UHFFFAOYSA-N 0 1 369.494 2.628 20 10 FFCDMN Cc1nc(=NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)s[n-]1 ZINC000570388266 518580863 /nfs/dbraw/zinc/58/08/63/518580863.db2.gz BPPIVUODSFRRIM-UHFFFAOYSA-N 0 1 369.494 2.628 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](c4nc[nH]n4)C3)ccc21 ZINC000580640760 519279537 /nfs/dbraw/zinc/27/95/37/519279537.db2.gz YBWGIJLDASOTRX-INIZCTEOSA-N 0 1 367.453 2.652 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1F ZINC000739793261 600315900 /nfs/dbraw/zinc/31/59/00/600315900.db2.gz DGGLHASEDFKHMA-MRXNPFEDSA-N 0 1 371.767 2.944 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000833307403 600714175 /nfs/dbraw/zinc/71/41/75/600714175.db2.gz JBHAMFFYEOZUPI-INIZCTEOSA-N 0 1 370.449 2.540 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833695571 605063836 /nfs/dbraw/zinc/06/38/36/605063836.db2.gz SAFRDCRQSKYGCY-UHFFFAOYSA-N 0 1 354.450 2.782 20 10 FFCDMN C[C@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1O ZINC000833549238 605078097 /nfs/dbraw/zinc/07/80/97/605078097.db2.gz PQPGBJLDZJBRMK-MRXNPFEDSA-N 0 1 370.449 2.889 20 10 FFCDMN COc1ccc(O)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000833733418 605239073 /nfs/dbraw/zinc/23/90/73/605239073.db2.gz HHPMHFRHUVWSEK-CQSZACIVSA-N 0 1 356.422 2.810 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887433 605989378 /nfs/dbraw/zinc/98/93/78/605989378.db2.gz GHIPYQNTPFXUFA-HUUCEWRRSA-N 0 1 364.442 2.906 20 10 FFCDMN CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000898398108 735354928 /nfs/dbraw/zinc/35/49/28/735354928.db2.gz CBZIBZVTWLEFPC-QHCPKHFHSA-N 0 1 359.923 2.832 20 10 FFCDMN CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000036933206 727932112 /nfs/dbraw/zinc/93/21/12/727932112.db2.gz RIVDVTXRLKBLIJ-IUODEOHRSA-N 0 1 357.292 2.916 20 10 FFCDMN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000061002593 728123483 /nfs/dbraw/zinc/12/34/83/728123483.db2.gz FITLBYOJNYUXLD-LJQANCHMSA-N 0 1 358.507 2.990 20 10 FFCDMN CCN(CC(=O)NCC1CCC1)Cc1cc(Br)ccc1O ZINC000076118595 728255494 /nfs/dbraw/zinc/25/54/94/728255494.db2.gz MUSIEFRAELXNLB-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN COc1cc(Br)cc(CN2CCC(OC(C)=O)CC2)c1O ZINC000093453782 728476254 /nfs/dbraw/zinc/47/62/54/728476254.db2.gz CPTWDQXLVYSHNR-UHFFFAOYSA-N 0 1 358.232 2.691 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccsc3)cc2F)CC1 ZINC000106702351 728511567 /nfs/dbraw/zinc/51/15/67/728511567.db2.gz STMMRGBUWCKRSZ-UHFFFAOYSA-N 0 1 361.486 2.888 20 10 FFCDMN CN(C)c1ccncc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000183415158 729303609 /nfs/dbraw/zinc/30/36/09/729303609.db2.gz SSOYYBCLOZHOQW-UHFFFAOYSA-N 0 1 356.495 2.631 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000858154821 730418001 /nfs/dbraw/zinc/41/80/01/730418001.db2.gz SDXHLVTYINJSFC-ZDUSSCGKSA-N 0 1 354.219 2.987 20 10 FFCDMN COc1ccc(N2CC[C@H](NCc3cn(C)nc3Br)C2)cc1 ZINC000858186929 730419119 /nfs/dbraw/zinc/41/91/19/730419119.db2.gz OVUSJJZXGDSACR-ZDUSSCGKSA-N 0 1 365.275 2.560 20 10 FFCDMN CCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862214970 730677104 /nfs/dbraw/zinc/67/71/04/730677104.db2.gz AIVANVIRDHPDPS-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[C@](CO)([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000862431023 730702068 /nfs/dbraw/zinc/70/20/68/730702068.db2.gz BNWPAMLCLNEELO-MRXNPFEDSA-N 0 1 352.228 2.858 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c(C)c(C)c1O ZINC000863408378 730777465 /nfs/dbraw/zinc/77/74/65/730777465.db2.gz YTKZYSJYHBSAQD-UHFFFAOYSA-N 0 1 363.361 2.871 20 10 FFCDMN COc1ccc(N2CCN(CCNCc3nc(Cl)cs3)CC2)cc1 ZINC000876981827 732307115 /nfs/dbraw/zinc/30/71/15/732307115.db2.gz XUXMMAIZZFIKEB-UHFFFAOYSA-N 0 1 366.918 2.717 20 10 FFCDMN O=C(N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000877567572 732389614 /nfs/dbraw/zinc/38/96/14/732389614.db2.gz YKIRYVIMDUYGJK-KOLCDFICSA-N 0 1 364.314 2.513 20 10 FFCDMN O=S1(=O)C[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC000877793952 732434038 /nfs/dbraw/zinc/43/40/38/732434038.db2.gz RSNOUWINOKZJCJ-MWLCHTKSSA-N 0 1 350.267 2.566 20 10 FFCDMN O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC000877793952 732434042 /nfs/dbraw/zinc/43/40/42/732434042.db2.gz RSNOUWINOKZJCJ-MWLCHTKSSA-N 0 1 350.267 2.566 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000781907237 738670976 /nfs/dbraw/zinc/67/09/76/738670976.db2.gz GNKUACRPTKBBDE-UHFFFAOYSA-N 0 1 351.244 2.853 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894432880 734857137 /nfs/dbraw/zinc/85/71/37/734857137.db2.gz VXBWDUCKYIFLPJ-CHWSQXEVSA-N 0 1 360.223 2.878 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000894500384 734869906 /nfs/dbraw/zinc/86/99/06/734869906.db2.gz NEDMSCKLEZWJJI-UHFFFAOYSA-N 0 1 354.166 2.886 20 10 FFCDMN COc1ccc(CNCc2sc(N3CCOCC3)nc2Cl)c(O)c1 ZINC000894635454 734892599 /nfs/dbraw/zinc/89/25/99/734892599.db2.gz HEEUPGWMKBNVKK-UHFFFAOYSA-N 0 1 369.874 2.637 20 10 FFCDMN Cc1nc2cc(NCc3c(O)cccc3Cl)ccc2n1C(CO)CO ZINC000894923570 734937539 /nfs/dbraw/zinc/93/75/39/734937539.db2.gz BJMLWPGWDZVBHI-UHFFFAOYSA-N 0 1 361.829 2.842 20 10 FFCDMN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(Br)c1O ZINC000895864361 735066685 /nfs/dbraw/zinc/06/66/85/735066685.db2.gz ODBPTDNJKGLVFU-OCCSQVGLSA-N 0 1 372.259 2.745 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393055 735152544 /nfs/dbraw/zinc/15/25/44/735152544.db2.gz ILCHBBFUTNLZRL-MLGOLLRUSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393055 735152546 /nfs/dbraw/zinc/15/25/46/735152546.db2.gz ILCHBBFUTNLZRL-MLGOLLRUSA-N 0 1 369.259 2.865 20 10 FFCDMN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756360798 736325052 /nfs/dbraw/zinc/32/50/52/736325052.db2.gz IFPHNUBPTKADEJ-LBPRGKRZSA-N 0 1 367.760 2.699 20 10 FFCDMN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000763558494 736947565 /nfs/dbraw/zinc/94/75/65/736947565.db2.gz JNFWYXCQVSLDGR-NHYWBVRUSA-N 0 1 358.276 2.983 20 10 FFCDMN C[NH+](C)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000764791039 737049900 /nfs/dbraw/zinc/04/99/00/737049900.db2.gz LXSLYDAPUKSDDW-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765445421 737119656 /nfs/dbraw/zinc/11/96/56/737119656.db2.gz SMEKFEYVNLRPDE-QWHCGFSZSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000765445421 737119659 /nfs/dbraw/zinc/11/96/59/737119659.db2.gz SMEKFEYVNLRPDE-QWHCGFSZSA-N 0 1 368.275 2.581 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[O-] ZINC000768252033 737409071 /nfs/dbraw/zinc/40/90/71/737409071.db2.gz TZZFYZWPWXLOPV-OAHLLOKOSA-N 0 1 369.849 2.641 20 10 FFCDMN CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768340792 737414910 /nfs/dbraw/zinc/41/49/10/737414910.db2.gz DQVBBISILYBQRO-LBPRGKRZSA-N 0 1 367.298 2.603 20 10 FFCDMN CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768340792 737414913 /nfs/dbraw/zinc/41/49/13/737414913.db2.gz DQVBBISILYBQRO-LBPRGKRZSA-N 0 1 367.298 2.603 20 10 FFCDMN O=C(NCC(F)(F)F)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000768781549 737457478 /nfs/dbraw/zinc/45/74/78/737457478.db2.gz TZXKWUFRRMJGJT-UHFFFAOYSA-N 0 1 350.768 2.936 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCO)CCc2ccccc2)c1[O-] ZINC000769428347 737528917 /nfs/dbraw/zinc/52/89/17/737528917.db2.gz ZALPVUIRORLKLI-UHFFFAOYSA-N 0 1 350.802 2.991 20 10 FFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775644976 738108792 /nfs/dbraw/zinc/10/87/92/738108792.db2.gz YZJQSHVLPQAEMK-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN CS(=O)(=O)C[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000793699567 739806239 /nfs/dbraw/zinc/80/62/39/739806239.db2.gz RIHANNAJBWUEAP-ZDUSSCGKSA-N 0 1 363.479 2.884 20 10 FFCDMN CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000793699567 739806246 /nfs/dbraw/zinc/80/62/46/739806246.db2.gz RIHANNAJBWUEAP-ZDUSSCGKSA-N 0 1 363.479 2.884 20 10 FFCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1[O-] ZINC000794826985 739933805 /nfs/dbraw/zinc/93/38/05/739933805.db2.gz FEXMLWSBVYVQGK-SNVBAGLBSA-N 0 1 362.289 2.773 20 10 FFCDMN COC(=O)c1ccc(Cl)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000794934412 739944389 /nfs/dbraw/zinc/94/43/89/739944389.db2.gz KHFGDBPBMPCRGY-GXDHUFHOSA-N 0 1 356.765 2.588 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC[C@H]1CCCO1 ZINC000805011949 740925557 /nfs/dbraw/zinc/92/55/57/740925557.db2.gz YVHOYTVXRQMKTF-JKSUJKDBSA-N 0 1 368.861 2.915 20 10 FFCDMN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808115271 741188609 /nfs/dbraw/zinc/18/86/09/741188609.db2.gz VQILNMYEVDOTJC-UHFFFAOYSA-N 0 1 372.805 2.687 20 10 FFCDMN CC(=O)C(=O)COC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C ZINC000808531018 741232942 /nfs/dbraw/zinc/23/29/42/741232942.db2.gz IMCPDMMEYPKPFA-UHFFFAOYSA-N 0 1 354.284 2.719 20 10 FFCDMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000809786242 741344033 /nfs/dbraw/zinc/34/40/33/741344033.db2.gz VIVCYYOQCIUANP-ZDUSSCGKSA-N 0 1 374.934 2.928 20 10 FFCDMN CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810244092 741400681 /nfs/dbraw/zinc/40/06/81/741400681.db2.gz OOTNVSNMQWLRKI-AWEZNQCLSA-N 0 1 358.364 2.626 20 10 FFCDMN Oc1c(Br)cc(Br)cc1CN1CCO[C@H]2C[C@H]21 ZINC000814172664 741800371 /nfs/dbraw/zinc/80/03/71/741800371.db2.gz XYCXOIOZDALSRU-MNOVXSKESA-N 0 1 363.049 2.890 20 10 FFCDMN Cn1cnnc1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824594124 743113346 /nfs/dbraw/zinc/11/33/46/743113346.db2.gz ZVQDIZQPNFUZKN-UHFFFAOYSA-N 0 1 351.248 2.663 20 10 FFCDMN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824616498 743117036 /nfs/dbraw/zinc/11/70/36/743117036.db2.gz WQSCHQYNBUWQFW-LBPRGKRZSA-N 0 1 357.248 2.817 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CCCO1 ZINC000824825121 743155829 /nfs/dbraw/zinc/15/58/29/743155829.db2.gz MZMVACRHWWKMIK-AWEZNQCLSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CCCO1 ZINC000824825121 743155835 /nfs/dbraw/zinc/15/58/35/743155835.db2.gz MZMVACRHWWKMIK-AWEZNQCLSA-N 0 1 372.259 2.699 20 10 FFCDMN CS(=O)(=O)C[C@H]1CCCCN1Cc1cccc(Br)c1O ZINC000824913519 743177650 /nfs/dbraw/zinc/17/76/50/743177650.db2.gz ABOZSPAXIAQJHN-GFCCVEGCSA-N 0 1 362.289 2.554 20 10 FFCDMN COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccc1OCC(N)=O ZINC000825155943 743219623 /nfs/dbraw/zinc/21/96/23/743219623.db2.gz MDGMCCGPKFVBOI-UHFFFAOYSA-N 0 1 364.829 2.517 20 10 FFCDMN Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000825321325 743247569 /nfs/dbraw/zinc/24/75/69/743247569.db2.gz VZIHSJPROUYYHT-CQSZACIVSA-N 0 1 365.275 2.647 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825939844 743346112 /nfs/dbraw/zinc/34/61/12/743346112.db2.gz IEZFNENWENORFU-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825939844 743346120 /nfs/dbraw/zinc/34/61/20/743346120.db2.gz IEZFNENWENORFU-ZDUSSCGKSA-N 0 1 355.276 2.893 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1n1cccn1 ZINC000826024108 743357080 /nfs/dbraw/zinc/35/70/80/743357080.db2.gz RHTUXUWCMBYODV-IMJJTQAJSA-N 0 1 366.259 2.860 20 10 FFCDMN C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000826534629 743391681 /nfs/dbraw/zinc/39/16/81/743391681.db2.gz IQEFGLLUBRRLTQ-UPJWGTAASA-N 0 1 357.292 2.742 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000827634622 744951981 /nfs/dbraw/zinc/95/19/81/744951981.db2.gz WKUJWNDKEZZCPI-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000827634622 744951986 /nfs/dbraw/zinc/95/19/86/744951986.db2.gz WKUJWNDKEZZCPI-LBPRGKRZSA-N 0 1 353.260 2.599 20 10 FFCDMN CCn1cnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000830544789 745378287 /nfs/dbraw/zinc/37/82/87/745378287.db2.gz UBFLAXYXFMLXRO-HNNXBMFYSA-N 0 1 362.861 2.656 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000837485924 746457750 /nfs/dbraw/zinc/45/77/50/746457750.db2.gz RTNVRNQEJGXIPW-LHHMISFZSA-N 0 1 364.873 2.694 20 10 FFCDMN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000839148354 746788737 /nfs/dbraw/zinc/78/87/37/746788737.db2.gz ZWFPGHPVAOBVAY-UHFFFAOYSA-N 0 1 354.859 2.634 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000840882804 747212079 /nfs/dbraw/zinc/21/20/79/747212079.db2.gz BZGJUFBJXFRAFQ-KRWDZBQOSA-N 0 1 356.919 2.652 20 10 FFCDMN CN1CCCc2cc(CNCc3ccc(S(C)(=O)=O)s3)ccc21 ZINC000840886624 747212466 /nfs/dbraw/zinc/21/24/66/747212466.db2.gz JIBARRHNUOLQSN-UHFFFAOYSA-N 0 1 350.509 2.824 20 10 FFCDMN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841745748 747447440 /nfs/dbraw/zinc/44/74/40/747447440.db2.gz SNZBLBAUVYDBTM-SUMWQHHRSA-N 0 1 356.919 2.904 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414484 747831912 /nfs/dbraw/zinc/83/19/12/747831912.db2.gz GHLSHJCHUMVRKU-AWEZNQCLSA-N 0 1 363.259 2.940 20 10 FFCDMN COc1ccc(N2CCN(C(=O)[C@H](N)c3cccc(Cl)c3)CC2)cc1 ZINC000843486647 747843876 /nfs/dbraw/zinc/84/38/76/747843876.db2.gz ZCCPPDMZAIWKKD-GOSISDBHSA-N 0 1 359.857 2.697 20 10 FFCDMN CCn1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000843832957 747906780 /nfs/dbraw/zinc/90/67/80/747906780.db2.gz ZDBKKYQOOVBXES-HNNXBMFYSA-N 0 1 362.861 2.656 20 10 FFCDMN COc1ccc(N2CC[C@@H](NCc3nccn3CC(F)(F)F)C2)cc1 ZINC000850345856 749346030 /nfs/dbraw/zinc/34/60/30/749346030.db2.gz MNDIAAHYTBTGGQ-CYBMUJFWSA-N 0 1 354.376 2.823 20 10 FFCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000850354098 749350552 /nfs/dbraw/zinc/35/05/52/749350552.db2.gz VOBLKBMLPQBIAE-GLQYFDAESA-N 0 1 358.276 2.810 20 10 FFCDMN CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])CC1=O ZINC000850395671 749358988 /nfs/dbraw/zinc/35/89/88/749358988.db2.gz BNMOHNPAMGTKQL-NSHDSACASA-N 0 1 355.276 2.891 20 10 FFCDMN O=C1CO[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CN1C1CCCC1 ZINC001275837517 1013064808 /nfs/dbraw/zinc/06/48/08/1013064808.db2.gz JPIPPUYOUVHUGF-IBGZPJMESA-N 0 1 364.873 2.792 20 10 FFCDMN O=C1CO[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CN1C1CCCC1 ZINC001275837517 1013064820 /nfs/dbraw/zinc/06/48/20/1013064820.db2.gz JPIPPUYOUVHUGF-IBGZPJMESA-N 0 1 364.873 2.792 20 10 FFCDMN O=C1C[C@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)C(=O)N1CC(F)F ZINC001275840330 1013069499 /nfs/dbraw/zinc/06/94/99/1013069499.db2.gz JUDQVHYJRABEMB-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN O=C1C[C@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)C(=O)N1CC(F)F ZINC001275840330 1013069516 /nfs/dbraw/zinc/06/95/16/1013069516.db2.gz JUDQVHYJRABEMB-KRWDZBQOSA-N 0 1 372.799 2.652 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2nnc[nH]2)CCCC1 ZINC000651418751 971358370 /nfs/dbraw/zinc/35/83/70/971358370.db2.gz CUCOLYNDVRDZDS-GFCCVEGCSA-N 0 1 353.426 2.524 20 10 FFCDMN COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275895140 1013153389 /nfs/dbraw/zinc/15/33/89/1013153389.db2.gz FJRMYKQPFHRMCY-INIZCTEOSA-N 0 1 366.889 2.800 20 10 FFCDMN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951947 1013221201 /nfs/dbraw/zinc/22/12/01/1013221201.db2.gz REORYPRJBAHWNQ-ORAYPTAESA-N 0 1 368.424 2.520 20 10 FFCDMN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957166 1013232946 /nfs/dbraw/zinc/23/29/46/1013232946.db2.gz PCVFXGXWRAGRLA-QGZVFWFLSA-N 0 1 360.351 2.893 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)c3ccccc32)N(C)C)cc1 ZINC000891246737 962565152 /nfs/dbraw/zinc/56/51/52/962565152.db2.gz CMORWTQESWIFIQ-WOJBJXKFSA-N 0 1 365.477 2.842 20 10 FFCDMN CN1CCN(c2ccc(CNc3ncc(-c4cccnc4)cn3)cc2)CC1 ZINC001167431137 963083683 /nfs/dbraw/zinc/08/36/83/963083683.db2.gz ITQWKPALCHVBAE-UHFFFAOYSA-N 0 1 360.465 2.903 20 10 FFCDMN CN1CCN(c2ccc(CNc3cccc(C4(C)OCCO4)n3)cc2)CC1 ZINC001167434307 963178204 /nfs/dbraw/zinc/17/82/04/963178204.db2.gz IFUNHKMRVNTVTI-UHFFFAOYSA-N 0 1 368.481 2.665 20 10 FFCDMN CN1CC[C@]2(CCC[N@H+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276077732 1013409512 /nfs/dbraw/zinc/40/95/12/1013409512.db2.gz UZTCODRMLKUMNV-KRWDZBQOSA-N 0 1 367.287 2.989 20 10 FFCDMN CN1CC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276077732 1013409517 /nfs/dbraw/zinc/40/95/17/1013409517.db2.gz UZTCODRMLKUMNV-KRWDZBQOSA-N 0 1 367.287 2.989 20 10 FFCDMN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276086481 1013433600 /nfs/dbraw/zinc/43/36/00/1013433600.db2.gz RHHRIGABFDUIFO-JLTOFOAXSA-N 0 1 362.445 2.713 20 10 FFCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051230384 964425155 /nfs/dbraw/zinc/42/51/55/964425155.db2.gz NZPVCDVBYNKXKJ-UHFFFAOYSA-N 0 1 357.429 2.985 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)CN1CCOCC1 ZINC001167512250 966028418 /nfs/dbraw/zinc/02/84/18/966028418.db2.gz KNVDZJMCWIJUFB-AWEZNQCLSA-N 0 1 371.319 2.945 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](C)CN1CCOCC1 ZINC001167512250 966028426 /nfs/dbraw/zinc/02/84/26/966028426.db2.gz KNVDZJMCWIJUFB-AWEZNQCLSA-N 0 1 371.319 2.945 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](C)CN1CCOCC1 ZINC001167512250 966028435 /nfs/dbraw/zinc/02/84/35/966028435.db2.gz KNVDZJMCWIJUFB-AWEZNQCLSA-N 0 1 371.319 2.945 20 10 FFCDMN COc1c(O)c(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001604680862 973874280 /nfs/dbraw/zinc/87/42/80/973874280.db2.gz VWLOEDNWKLSIFD-KBPBESRZSA-N 0 1 358.350 2.712 20 10 FFCDMN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608455 975906172 /nfs/dbraw/zinc/90/61/72/975906172.db2.gz UZAHQQGTYSXBJT-BMRADRMJSA-N 0 1 350.466 2.553 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C3(Nc4ccccc4)CC3)cc2)CC1 ZINC000899212285 977023329 /nfs/dbraw/zinc/02/33/29/977023329.db2.gz SGXUTTKJBBBSSM-UHFFFAOYSA-N 0 1 364.493 2.699 20 10 FFCDMN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c1 ZINC000876880013 1014409082 /nfs/dbraw/zinc/40/90/82/1014409082.db2.gz YEFNQXFOXMUKTR-BIENJYKASA-N 0 1 358.438 2.511 20 10 FFCDMN C[C@@H](NCc1cc2c(cn1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000876987037 1014441870 /nfs/dbraw/zinc/44/18/70/1014441870.db2.gz QCJXOTRNGHHHHI-OAHLLOKOSA-N 0 1 355.438 2.540 20 10 FFCDMN COc1ccc(C(=O)N2CCN(Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000178850858 978095106 /nfs/dbraw/zinc/09/51/06/978095106.db2.gz QLXKNOCPTDBOGG-UHFFFAOYSA-N 0 1 354.450 2.976 20 10 FFCDMN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000760205216 980230289 /nfs/dbraw/zinc/23/02/89/980230289.db2.gz RNMUVDTYGUFRKA-UHFFFAOYSA-N 0 1 371.403 2.750 20 10 FFCDMN CC(=O)N1CCN(c2ccc(NCc3ccc(F)c(F)c3O)cc2)CC1 ZINC000877775704 1014724564 /nfs/dbraw/zinc/72/45/64/1014724564.db2.gz ZKGCWNVEUUDVQA-UHFFFAOYSA-N 0 1 361.392 2.951 20 10 FFCDMN CN1CCN(c2ccc([C@@H]3NC(C)(C)C(=O)N3CC3CCCC3)cc2)CC1 ZINC000877857575 1014750366 /nfs/dbraw/zinc/75/03/66/1014750366.db2.gz VFWPCUGMWXNZQR-HXUWFJFHSA-N 0 1 370.541 2.838 20 10 FFCDMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000031728880 981856637 /nfs/dbraw/zinc/85/66/37/981856637.db2.gz CBZBOSLPIBFAKQ-IBGZPJMESA-N 0 1 358.461 2.994 20 10 FFCDMN CCCC[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1O ZINC001595742164 982404998 /nfs/dbraw/zinc/40/49/98/982404998.db2.gz VNRXOCXSOSUXLO-UHFFFAOYSA-N 0 1 362.470 2.898 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000045042503 984390281 /nfs/dbraw/zinc/39/02/81/984390281.db2.gz KFIRVRORZNLMPF-UHFFFAOYSA-N 0 1 366.509 2.952 20 10 FFCDMN CCc1cc(C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(O)c(C(C)(C)C)c1 ZINC001597470502 987921340 /nfs/dbraw/zinc/92/13/40/987921340.db2.gz FVLVAHAMIBNSKD-HNNXBMFYSA-N 0 1 372.469 2.989 20 10 FFCDMN NC(=O)C1CCN(c2ccc(CNCc3ccnn3C3CCC3)cc2)CC1 ZINC000922338456 988451252 /nfs/dbraw/zinc/45/12/52/988451252.db2.gz KYLQRGXQFSOARO-UHFFFAOYSA-N 0 1 367.497 2.600 20 10 FFCDMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000916644968 989883220 /nfs/dbraw/zinc/88/32/20/989883220.db2.gz HNUJWPWNBZSYGY-UHFFFAOYSA-N 0 1 369.465 2.643 20 10 FFCDMN 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FFCDMN CCCCCOC1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001565271644 1076707461 /nfs/dbraw/zinc/70/74/61/1076707461.db2.gz VQWIZBGZPQQVCT-UHFFFAOYSA-N 0 1 374.529 2.539 20 10 FFCDMN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001565635505 1076748683 /nfs/dbraw/zinc/74/86/83/1076748683.db2.gz LOCWXKYNYVBKKY-UHFFFAOYSA-N 0 1 354.450 2.763 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1[O-] ZINC000359958870 210201391 /nfs/dbraw/zinc/20/13/91/210201391.db2.gz LENBHOJQVJWIRR-IEBWSBKVSA-N 0 1 369.509 2.603 20 10 FFCDMN O=C(CC1CCCC1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000369095061 512225716 /nfs/dbraw/zinc/22/57/16/512225716.db2.gz GUKXSYWTXGHHAU-UHFFFAOYSA-N 0 1 360.454 2.736 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000158108651 508658618 /nfs/dbraw/zinc/65/86/18/508658618.db2.gz ULXBUADCOYKGBL-INIZCTEOSA-N 0 1 352.862 2.553 20 10 FFCDMN C[C@H](C1CC1)N(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154091181 508715665 /nfs/dbraw/zinc/71/56/65/508715665.db2.gz QYXBFZVDGUKVHZ-QGZVFWFLSA-N 0 1 371.525 2.745 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)CCC(F)(F)F)CC2)cc1 ZINC000173133943 509412012 /nfs/dbraw/zinc/41/20/12/509412012.db2.gz YNYSMRNAZOKEBA-UHFFFAOYSA-N 0 1 373.419 2.666 20 10 FFCDMN C[C@H](c1ccccc1)N(CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000176680447 509638687 /nfs/dbraw/zinc/63/86/87/509638687.db2.gz LUGKJVUTHINYOK-OAHLLOKOSA-N 0 1 353.422 2.507 20 10 FFCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)C1CC1 ZINC000179909729 509669224 /nfs/dbraw/zinc/66/92/24/509669224.db2.gz FTBUBSFBVXBTJD-UHFFFAOYSA-N 0 1 353.260 2.645 20 10 FFCDMN Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000183431895 509785494 /nfs/dbraw/zinc/78/54/94/509785494.db2.gz HVEXEIQSJSKLQR-LLVKDONJSA-N 0 1 356.405 2.622 20 10 FFCDMN COc1cc(Cl)cc(CN2CCCN(c3nc(C)ns3)CC2)c1O ZINC000184699650 510471842 /nfs/dbraw/zinc/47/18/42/510471842.db2.gz BMCICEYGWLCTIA-UHFFFAOYSA-N 0 1 368.890 2.926 20 10 FFCDMN COCCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185144563 510710236 /nfs/dbraw/zinc/71/02/36/510710236.db2.gz NGZZYXFYKYRPNF-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276736129 510945684 /nfs/dbraw/zinc/94/56/84/510945684.db2.gz CHHUSFFBXSJVGD-UHFFFAOYSA-N 0 1 365.437 2.534 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000277070546 510953678 /nfs/dbraw/zinc/95/36/78/510953678.db2.gz WZINMACIZQNVSB-UHFFFAOYSA-N 0 1 366.421 2.954 20 10 FFCDMN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCc2cn[nH]c21 ZINC000277246680 510956939 /nfs/dbraw/zinc/95/69/39/510956939.db2.gz HQZOHDJLVMDFSU-CYBMUJFWSA-N 0 1 360.801 2.611 20 10 FFCDMN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1OC ZINC000277664259 510969551 /nfs/dbraw/zinc/96/95/51/510969551.db2.gz NHVDQEOWUDIEAQ-UHFFFAOYSA-N 0 1 367.423 2.997 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1[O-] ZINC000287238328 511045265 /nfs/dbraw/zinc/04/52/65/511045265.db2.gz YQSVVRGBSMQOKR-GHMZBOCLSA-N 0 1 362.289 2.630 20 10 FFCDMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272224815 511470787 /nfs/dbraw/zinc/47/07/87/511470787.db2.gz CSIJFPQVMRSTDA-UHFFFAOYSA-N 0 1 367.442 2.836 20 10 FFCDMN COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1O ZINC000299275428 511574834 /nfs/dbraw/zinc/57/48/34/511574834.db2.gz KKVWZSQZJOSKCE-XNTDXEJSSA-N 0 1 364.492 2.696 20 10 FFCDMN CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483915 511762584 /nfs/dbraw/zinc/76/25/84/511762584.db2.gz OISNYXTUZDOKAO-MQNRADLISA-N 0 1 367.511 2.846 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1[O-] ZINC000363868498 511819507 /nfs/dbraw/zinc/81/95/07/511819507.db2.gz NJXIMQRITMRWBG-YPMHNXCESA-N 0 1 365.275 2.818 20 10 FFCDMN COc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1OC ZINC000373719875 512472192 /nfs/dbraw/zinc/47/21/92/512472192.db2.gz MZZXOEXISLWCMN-BIENJYKASA-N 0 1 351.443 2.568 20 10 FFCDMN CO[C@@H](C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444137765 514132459 /nfs/dbraw/zinc/13/24/59/514132459.db2.gz FTDBTJXUWSOSLE-INIZCTEOSA-N 0 1 357.498 2.949 20 10 FFCDMN CO[C@H](C)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000461268079 514555476 /nfs/dbraw/zinc/55/54/76/514555476.db2.gz DLZLDVMVCFWMJY-HZPDHXFCSA-N 0 1 357.498 2.947 20 10 FFCDMN Cc1cc(-c2nc(C3(N)CCCC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000518183614 516569071 /nfs/dbraw/zinc/56/90/71/516569071.db2.gz IYADBNBGLUUZCR-UHFFFAOYSA-N 0 1 368.462 2.989 20 10 FFCDMN COC[C@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])COc2ccccc2C1 ZINC000528746750 516667006 /nfs/dbraw/zinc/66/70/06/516667006.db2.gz KFURKRGFOMOJRW-FQEVSTJZSA-N 0 1 359.397 2.844 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CO[C@H](C)C2)C1 ZINC000566269930 519404111 /nfs/dbraw/zinc/40/41/11/519404111.db2.gz DFTZMZBGXGJDJA-HZPDHXFCSA-N 0 1 355.482 2.701 20 10 FFCDMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880440 600219171 /nfs/dbraw/zinc/21/91/71/600219171.db2.gz WXVVRBXMRMWAIU-LIRRHRJNSA-N 0 1 362.470 2.752 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000739793189 600315538 /nfs/dbraw/zinc/31/55/38/600315538.db2.gz BTBJIHOBGBAYOW-INIZCTEOSA-N 0 1 371.767 2.944 20 10 FFCDMN C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714821 600986327 /nfs/dbraw/zinc/98/63/27/600986327.db2.gz ZDGNURKVAPTGNC-GMNBZTITSA-N 0 1 359.426 2.861 20 10 FFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833182085 604680490 /nfs/dbraw/zinc/68/04/90/604680490.db2.gz VXVVVVIEFJINPC-AYBZRNKSSA-N 0 1 362.445 2.880 20 10 FFCDMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000834107759 605468577 /nfs/dbraw/zinc/46/85/77/605468577.db2.gz OCVPCPCKIYMJKO-ICSRJNTNSA-N 0 1 373.497 2.878 20 10 FFCDMN CCc1nsc(N2CCN(Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000743396486 735295659 /nfs/dbraw/zinc/29/56/59/735295659.db2.gz DCZHSGOSJLOOKF-UHFFFAOYSA-N 0 1 355.467 2.677 20 10 FFCDMN Cn1cc([C@@]2(C[NH2+]Cc3c([O-])cccc3Br)CCCO2)cn1 ZINC000898051294 735307479 /nfs/dbraw/zinc/30/74/79/735307479.db2.gz BGOZWFKQFHLDRP-INIZCTEOSA-N 0 1 366.259 2.684 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000898371827 735349830 /nfs/dbraw/zinc/34/98/30/735349830.db2.gz JNHOHONFPFAEOG-LLVKDONJSA-N 0 1 369.252 2.872 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)CCC(F)(F)F)cc2F)CC1 ZINC000080102957 728322019 /nfs/dbraw/zinc/32/20/19/728322019.db2.gz ROGYFJQWTQLIRV-UHFFFAOYSA-N 0 1 361.383 2.926 20 10 FFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000119466107 728594872 /nfs/dbraw/zinc/59/48/72/728594872.db2.gz TZARLVDEGBKWIS-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000119466107 728594875 /nfs/dbraw/zinc/59/48/75/728594875.db2.gz TZARLVDEGBKWIS-NSHDSACASA-N 0 1 354.859 2.886 20 10 FFCDMN Oc1c(Br)cccc1CN1CCN(Cc2ccccn2)CC1 ZINC000121958130 728642570 /nfs/dbraw/zinc/64/25/70/728642570.db2.gz DWOUPEAUKCVLJG-UHFFFAOYSA-N 0 1 362.271 2.868 20 10 FFCDMN O=C(C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1)N1CCCC1 ZINC000122445420 728647618 /nfs/dbraw/zinc/64/76/18/728647618.db2.gz KOAAYVJPZPNJKL-UHFFFAOYSA-N 0 1 367.287 2.989 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123685903 728661431 /nfs/dbraw/zinc/66/14/31/728661431.db2.gz NVIJECYTWBELHR-SKDRFNHKSA-N 0 1 354.712 2.841 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000779459648 738466284 /nfs/dbraw/zinc/46/62/84/738466284.db2.gz FNAANHIZJZABJR-UHFFFAOYSA-N 0 1 361.419 2.858 20 10 FFCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccncc3Cl)cc2)C1 ZINC000858104350 730416665 /nfs/dbraw/zinc/41/66/65/730416665.db2.gz HKQBGZKDOPZTRX-MRXNPFEDSA-N 0 1 358.873 2.727 20 10 FFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1n1cccn1 ZINC000858170001 730418530 /nfs/dbraw/zinc/41/85/30/730418530.db2.gz HPUQJQZZVBWPHG-BMFZPTHFSA-N 0 1 366.259 2.860 20 10 FFCDMN CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1[O-] ZINC000858465895 730426519 /nfs/dbraw/zinc/42/65/19/730426519.db2.gz PHRXTOONYUKNFY-QFBILLFUSA-N 0 1 368.905 2.702 20 10 FFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000858602680 730429729 /nfs/dbraw/zinc/42/97/29/730429729.db2.gz GIFZPKFMFCYNFU-QMTHXVAHSA-N 0 1 353.260 2.959 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000862239022 730680028 /nfs/dbraw/zinc/68/00/28/730680028.db2.gz RYLBYUDVBOZYNM-CQSZACIVSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000862239022 730680029 /nfs/dbraw/zinc/68/00/29/730680029.db2.gz RYLBYUDVBOZYNM-CQSZACIVSA-N 0 1 369.303 2.841 20 10 FFCDMN CN1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC000862350307 730690545 /nfs/dbraw/zinc/69/05/45/730690545.db2.gz PQXDTCRUBNJQGJ-UHFFFAOYSA-N 0 1 353.260 2.599 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000862385023 730695377 /nfs/dbraw/zinc/69/53/77/730695377.db2.gz NUPHIGMQBACICD-YWPYICTPSA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000862385023 730695378 /nfs/dbraw/zinc/69/53/78/730695378.db2.gz NUPHIGMQBACICD-YWPYICTPSA-N 0 1 356.260 2.517 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739254 730805587 /nfs/dbraw/zinc/80/55/87/730805587.db2.gz JOVGWXHJFXXDGS-BXKDBHETSA-N 0 1 358.232 2.706 20 10 FFCDMN CN1CCN(c2ccc(CNc3nnc([C@H]4CCCO4)s3)cc2)CC1 ZINC000865295421 730936227 /nfs/dbraw/zinc/93/62/27/730936227.db2.gz DYKKHZVELGCDRL-MRXNPFEDSA-N 0 1 359.499 2.754 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1[O-] ZINC000872150296 731734529 /nfs/dbraw/zinc/73/45/29/731734529.db2.gz ZHYAPXLIESRIEJ-MFKMUULPSA-N 0 1 350.768 2.817 20 10 FFCDMN COc1cc(Cl)cc(CN2CCc3c(CC(N)=O)cccc3C2)c1O ZINC000877680173 732412296 /nfs/dbraw/zinc/41/22/96/732412296.db2.gz UUEQTZKVUJICRQ-UHFFFAOYSA-N 0 1 360.841 2.640 20 10 FFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781908370 738670693 /nfs/dbraw/zinc/67/06/93/738670693.db2.gz MEIYQMJSQMUMIE-ZDUSSCGKSA-N 0 1 358.276 2.948 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3ncsc3C3CC3)cc2)CC1 ZINC000881849895 733120202 /nfs/dbraw/zinc/12/02/02/733120202.db2.gz UPPVGGXOOBFPLL-UHFFFAOYSA-N 0 1 356.495 2.702 20 10 FFCDMN C[NH+](C)CCn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883037922 733324578 /nfs/dbraw/zinc/32/45/78/733324578.db2.gz PWVMSVHMDPBEJW-UHFFFAOYSA-N 0 1 357.227 2.664 20 10 FFCDMN C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000883308692 733366644 /nfs/dbraw/zinc/36/66/44/733366644.db2.gz VUAILOPIIFGNNV-CMPLNLGQSA-N 0 1 362.289 2.773 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000783724899 738829626 /nfs/dbraw/zinc/82/96/26/738829626.db2.gz XZQBTYZYIAHACK-CYBMUJFWSA-N 0 1 371.319 2.740 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000783724899 738829629 /nfs/dbraw/zinc/82/96/29/738829629.db2.gz XZQBTYZYIAHACK-CYBMUJFWSA-N 0 1 371.319 2.740 20 10 FFCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000894016391 734787080 /nfs/dbraw/zinc/78/70/80/734787080.db2.gz DNWGLHXJFDRANT-GFCCVEGCSA-N 0 1 364.667 2.781 20 10 FFCDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025748 734788609 /nfs/dbraw/zinc/78/86/09/734788609.db2.gz GAEVRTLTWNZXDE-IUCAKERBSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025748 734788614 /nfs/dbraw/zinc/78/86/14/734788614.db2.gz GAEVRTLTWNZXDE-IUCAKERBSA-N 0 1 368.268 2.547 20 10 FFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894070156 734795920 /nfs/dbraw/zinc/79/59/20/734795920.db2.gz OXXUJSYCOQNUMC-NSHDSACASA-N 0 1 362.239 2.779 20 10 FFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2[O-])CN1 ZINC000894093575 734799927 /nfs/dbraw/zinc/79/99/27/734799927.db2.gz FTQUYTPXIIAGIV-YGRLFVJLSA-N 0 1 371.250 2.784 20 10 FFCDMN COc1ccc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c(O)c1OC ZINC000894760783 734912137 /nfs/dbraw/zinc/91/21/37/734912137.db2.gz MKOAIVSVDMKMGM-LBPRGKRZSA-N 0 1 362.392 2.725 20 10 FFCDMN COc1ccc(CNCc2ccc(Br)cn2)c(O)c1OC ZINC000895839970 735063134 /nfs/dbraw/zinc/06/31/34/735063134.db2.gz LICYORXVAHDOAH-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN COCC1C[NH+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000895971916 735081856 /nfs/dbraw/zinc/08/18/56/735081856.db2.gz XAPJVMLJYUAHEL-UHFFFAOYSA-N 0 1 365.065 2.995 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393053 735152356 /nfs/dbraw/zinc/15/23/56/735152356.db2.gz ILCHBBFUTNLZRL-LRDDRELGSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393053 735152358 /nfs/dbraw/zinc/15/23/58/735152358.db2.gz ILCHBBFUTNLZRL-LRDDRELGSA-N 0 1 369.259 2.865 20 10 FFCDMN Oc1cc(Br)ccc1CNCc1nc2c(s1)COCC2 ZINC000897240036 735209855 /nfs/dbraw/zinc/20/98/55/735209855.db2.gz WMLCJZZEMAQBTR-UHFFFAOYSA-N 0 1 355.257 2.974 20 10 FFCDMN COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CCC1 ZINC000897699570 735266986 /nfs/dbraw/zinc/26/69/86/735266986.db2.gz GRARMXIOQGWGKA-GOSISDBHSA-N 0 1 353.846 2.716 20 10 FFCDMN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cccc(Cl)c2O)cn1 ZINC000754154446 736131414 /nfs/dbraw/zinc/13/14/14/736131414.db2.gz OSLYPKFRUIXRKY-NPMXOYFQSA-N 0 1 353.875 2.568 20 10 FFCDMN COCCN(C)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756407860 736328543 /nfs/dbraw/zinc/32/85/43/736328543.db2.gz FWIVYKRYBIAQCZ-NSHDSACASA-N 0 1 363.271 2.913 20 10 FFCDMN CC(C)c1nc([C@H](C)NC(=O)NCCCSc2nccs2)n[nH]1 ZINC000763027498 736893254 /nfs/dbraw/zinc/89/32/54/736893254.db2.gz DKNPCTYFZGBDEI-JTQLQIEISA-N 0 1 354.505 2.927 20 10 FFCDMN CCC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764759277 737046545 /nfs/dbraw/zinc/04/65/45/737046545.db2.gz WYQXSHVXWWNQSF-UHFFFAOYSA-N 0 1 370.291 2.828 20 10 FFCDMN CCN(CC)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765332680 737109556 /nfs/dbraw/zinc/10/95/56/737109556.db2.gz JFOQYHZTFILHHH-CQSZACIVSA-N 0 1 353.894 2.696 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765445422 737119577 /nfs/dbraw/zinc/11/95/77/737119577.db2.gz SMEKFEYVNLRPDE-STQMWFEESA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000765445422 737119579 /nfs/dbraw/zinc/11/95/79/737119579.db2.gz SMEKFEYVNLRPDE-STQMWFEESA-N 0 1 368.275 2.581 20 10 FFCDMN C[N@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769429300 737528826 /nfs/dbraw/zinc/52/88/26/737528826.db2.gz XDTSYVJJFMTBAW-UHFFFAOYSA-N 0 1 369.830 2.764 20 10 FFCDMN C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769429300 737528831 /nfs/dbraw/zinc/52/88/31/737528831.db2.gz XDTSYVJJFMTBAW-UHFFFAOYSA-N 0 1 369.830 2.764 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000775720668 738117515 /nfs/dbraw/zinc/11/75/15/738117515.db2.gz OIQIKYZNJHAOCD-RHSMWYFYSA-N 0 1 357.420 2.590 20 10 FFCDMN COC(C)(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787444731 739137192 /nfs/dbraw/zinc/13/71/92/739137192.db2.gz JAQWWEHNRAKERP-HNNXBMFYSA-N 0 1 354.878 2.941 20 10 FFCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000792702942 739696088 /nfs/dbraw/zinc/69/60/88/739696088.db2.gz JZLDMWGJWASJEU-UHFFFAOYSA-N 0 1 364.452 2.505 20 10 FFCDMN CN(C)c1ccc(CN2CCN(CCCCO)CC2)c(C(F)(F)F)c1 ZINC000792818700 739709668 /nfs/dbraw/zinc/70/96/68/739709668.db2.gz DMLNWIAWMVUJDK-UHFFFAOYSA-N 0 1 359.436 2.662 20 10 FFCDMN O=C(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)NC1CCCC1 ZINC000805024253 740927593 /nfs/dbraw/zinc/92/75/93/740927593.db2.gz GMWNLYVRBKHWSC-UHFFFAOYSA-N 0 1 360.241 2.557 20 10 FFCDMN COc1cncc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135713 740944039 /nfs/dbraw/zinc/94/40/39/740944039.db2.gz XMQXEIRREKSUGX-UHFFFAOYSA-N 0 1 363.222 2.581 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCn2ccnc2C1 ZINC000805314206 740959733 /nfs/dbraw/zinc/95/97/33/740959733.db2.gz MEUTUOZQHOSELK-LLVKDONJSA-N 0 1 355.225 2.710 20 10 FFCDMN CC(C)(C)S(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837795 741162947 /nfs/dbraw/zinc/16/29/47/741162947.db2.gz CKDBLHGXXGMFBW-UHFFFAOYSA-N 0 1 354.255 2.529 20 10 FFCDMN O=C(CNC(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838673 741162979 /nfs/dbraw/zinc/16/29/79/741162979.db2.gz NUNMZMQWJZRHTR-UHFFFAOYSA-N 0 1 353.205 2.745 20 10 FFCDMN CC(C)(C)N1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807839681 741163550 /nfs/dbraw/zinc/16/35/50/741163550.db2.gz JMQRQIGOKDNSQO-SNVBAGLBSA-N 0 1 359.253 2.962 20 10 FFCDMN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000808726229 741255506 /nfs/dbraw/zinc/25/55/06/741255506.db2.gz UTAQQMJQRMEBCX-JTQLQIEISA-N 0 1 350.278 2.629 20 10 FFCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)ccc2[O-])cc1O ZINC000809748533 741339365 /nfs/dbraw/zinc/33/93/65/741339365.db2.gz UMTOPXURZMBXEZ-ZDUSSCGKSA-N 0 1 351.830 2.701 20 10 FFCDMN O=C(c1ccc(O)cc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816491394 742034041 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2.861 20 10 FFCDMN O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000819398841 742385601 /nfs/dbraw/zinc/38/56/01/742385601.db2.gz QANYADIMIVUJGS-WRBKUFGZSA-N 0 1 364.873 2.861 20 10 FFCDMN O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000819398841 742385607 /nfs/dbraw/zinc/38/56/07/742385607.db2.gz QANYADIMIVUJGS-WRBKUFGZSA-N 0 1 364.873 2.861 20 10 FFCDMN Cc1cc(O)c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1Cl ZINC000824701717 743130466 /nfs/dbraw/zinc/13/04/66/743130466.db2.gz FNKHVVQYMWRHOH-MRXNPFEDSA-N 0 1 352.862 2.567 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000824913654 743177542 /nfs/dbraw/zinc/17/75/42/743177542.db2.gz WCFIDZFHTMGJKX-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(Br)cc3[O-])C2)cn1 ZINC000824913654 743177547 /nfs/dbraw/zinc/17/75/47/743177547.db2.gz WCFIDZFHTMGJKX-GFCCVEGCSA-N 0 1 350.260 2.953 20 10 FFCDMN Oc1ccc(Br)cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124675 743214117 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CSc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])[NH+](C)C)cc1 ZINC000832932899 745766425 /nfs/dbraw/zinc/76/64/25/745766425.db2.gz CKHNRAAOEFXDDG-CQSZACIVSA-N 0 1 364.442 2.992 20 10 FFCDMN CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834892915 745921127 /nfs/dbraw/zinc/92/11/27/745921127.db2.gz XKOKTWFVFGZUJM-HNNXBMFYSA-N 0 1 361.891 2.680 20 10 FFCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN1C(=O)c1cscn1 ZINC000835058030 745941380 /nfs/dbraw/zinc/94/13/80/745941380.db2.gz WKIHZMKLXKNQAJ-JTQLQIEISA-N 0 1 369.849 2.988 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000836693258 746285996 /nfs/dbraw/zinc/28/59/96/746285996.db2.gz YEQHXVAARJZIJX-AAEUAGOBSA-N 0 1 372.252 2.652 20 10 FFCDMN Cc1nnc(SCCC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000840554473 747124215 /nfs/dbraw/zinc/12/42/15/747124215.db2.gz BOYMESNTPGWPJZ-CYBMUJFWSA-N 0 1 361.515 2.717 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(Cl)c1 ZINC000840897355 747218441 /nfs/dbraw/zinc/21/84/41/747218441.db2.gz SCQOBWVPGIQAKS-AWEZNQCLSA-N 0 1 363.767 2.627 20 10 FFCDMN COc1c(O)c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997731 747252982 /nfs/dbraw/zinc/25/29/82/747252982.db2.gz HXUYOTRDDCLSEE-QKCSRTOESA-N 0 1 350.371 2.527 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@H]2C2CCC2)cc1 ZINC000842170947 747538743 /nfs/dbraw/zinc/53/87/43/747538743.db2.gz OXOYRMMUPIRWON-IBGZPJMESA-N 0 1 361.555 2.929 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CC3(F)F)CC2)cc1 ZINC000844410556 748024935 /nfs/dbraw/zinc/02/49/35/748024935.db2.gz XJLVDJHEHDCTCS-UHFFFAOYSA-N 0 1 351.441 2.832 20 10 FFCDMN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)c2cccc(Cl)c2)cc1 ZINC000846697699 748525317 /nfs/dbraw/zinc/52/53/17/748525317.db2.gz UXLKAJSUYYMGSX-GOSISDBHSA-N 0 1 361.873 2.943 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930234 749037773 /nfs/dbraw/zinc/03/77/73/749037773.db2.gz OYQBCPWXUBODNO-OAHLLOKOSA-N 0 1 369.303 2.841 20 10 FFCDMN CO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 ZINC000852437497 749859600 /nfs/dbraw/zinc/85/96/00/749859600.db2.gz YLHATPGCVROSLO-RNCFNFMXSA-N 0 1 363.241 2.550 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000852634741 749910381 /nfs/dbraw/zinc/91/03/81/749910381.db2.gz BAKCENCFUTXHTJ-UHFFFAOYSA-N 0 1 366.889 2.792 20 10 FFCDMN COCC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000133825494 845656727 /nfs/dbraw/zinc/65/67/27/845656727.db2.gz HRTONOZXFDTNOU-HNNXBMFYSA-N 0 1 354.878 2.799 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)NC3(C)CCCC3)CC2)cc1 ZINC000728741020 970898038 /nfs/dbraw/zinc/89/80/38/970898038.db2.gz KPBGOVCXJCVNRH-UHFFFAOYSA-N 0 1 374.529 2.839 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)CCCOC(C)C)cc2F)CC1 ZINC000182626974 971046262 /nfs/dbraw/zinc/04/62/62/971046262.db2.gz DGCYGYCOTSZJIO-UHFFFAOYSA-N 0 1 365.493 2.789 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836763 1013056523 /nfs/dbraw/zinc/05/65/23/1013056523.db2.gz GLHFERDXAXEHOB-AUUYWEPGSA-N 0 1 366.889 2.895 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275836763 1013056536 /nfs/dbraw/zinc/05/65/36/1013056536.db2.gz GLHFERDXAXEHOB-AUUYWEPGSA-N 0 1 366.889 2.895 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000840383259 971202767 /nfs/dbraw/zinc/20/27/67/971202767.db2.gz SWSXDUIFOUSTOE-CQSZACIVSA-N 0 1 358.490 2.733 20 10 FFCDMN CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001275837327 1013066308 /nfs/dbraw/zinc/06/63/08/1013066308.db2.gz HUPVCWYZGZHPKE-CYBMUJFWSA-N 0 1 364.873 2.838 20 10 FFCDMN Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000189432422 971585066 /nfs/dbraw/zinc/58/50/66/971585066.db2.gz QARGNFDHHNEHMP-UHFFFAOYSA-N 0 1 359.445 2.685 20 10 FFCDMN Cc1cc(C(=O)NCCN2CCCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000189432422 971585072 /nfs/dbraw/zinc/58/50/72/971585072.db2.gz QARGNFDHHNEHMP-UHFFFAOYSA-N 0 1 359.445 2.685 20 10 FFCDMN 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CC(=O)Nc1ncc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001167434380 963178090 /nfs/dbraw/zinc/17/80/90/963178090.db2.gz KYQHMVHBSAHPNI-UHFFFAOYSA-N 0 1 353.470 2.712 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)CNC(=O)N4C)cc2)CC1 ZINC001167437645 963283618 /nfs/dbraw/zinc/28/36/18/963283618.db2.gz WYSQTVURZOFULW-UHFFFAOYSA-N 0 1 365.481 2.710 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Nc3cnn(C4CCC4)c3)cc2)CC1 ZINC000934300705 966240355 /nfs/dbraw/zinc/24/03/55/966240355.db2.gz DZUUCZXGEIYDEG-UHFFFAOYSA-N 0 1 368.485 2.682 20 10 FFCDMN CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001271799718 974343429 /nfs/dbraw/zinc/34/34/29/974343429.db2.gz XTJWKYUMNSUKRD-OIISXLGYSA-N 0 1 361.486 2.998 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000796582355 1014412449 /nfs/dbraw/zinc/41/24/49/1014412449.db2.gz WYGIQMPGUJJSSJ-OAQYLSRUSA-N 0 1 353.466 2.783 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@H]3C)cc2F)CC1 ZINC000178672038 977705784 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CC(C)c1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000878824201 1015238285 /nfs/dbraw/zinc/23/82/85/1015238285.db2.gz FDVZQAAWVONWJI-UHFFFAOYSA-N 0 1 357.458 2.872 20 10 FFCDMN C[N@@H+](Cc1ccc(Br)cc1O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598519915 992667469 /nfs/dbraw/zinc/66/74/69/992667469.db2.gz QHAKHRXOCNBOPC-ZDUSSCGKSA-N 0 1 358.232 2.609 20 10 FFCDMN Cc1csc([C@H]2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000880007885 1015730353 /nfs/dbraw/zinc/73/03/53/1015730353.db2.gz JQNJEWPWRJNMMB-KRWDZBQOSA-N 0 1 372.538 2.965 20 10 FFCDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000844313720 997770084 /nfs/dbraw/zinc/77/00/84/997770084.db2.gz UWFOJZWVWKGNGV-NSHDSACASA-N 0 1 360.366 2.946 20 10 FFCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc2cccnc21 ZINC000734741169 999322080 /nfs/dbraw/zinc/32/20/80/999322080.db2.gz GBQATFWCJOAIOZ-UHFFFAOYSA-N 0 1 369.446 2.872 20 10 FFCDMN CC[N@@H+](CCC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000738100219 999616757 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1000414235 /nfs/dbraw/zinc/41/42/35/1000414235.db2.gz RJMCLKKDZOHZMZ-SUMWQHHRSA-N 0 1 352.394 2.704 20 10 FFCDMN COc1ccc(CN2CCN(Cc3ccccc3O)CC2)c(OC)c1OC ZINC000770510070 1000804060 /nfs/dbraw/zinc/80/40/60/1000804060.db2.gz WRSHDCDVNCRYSR-UHFFFAOYSA-N 0 1 372.465 2.736 20 10 FFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1C ZINC000787238217 1001679591 /nfs/dbraw/zinc/67/95/91/1001679591.db2.gz KHDPTEUNKHKVRN-UKRRQHHQSA-N 0 1 369.417 2.712 20 10 FFCDMN CCOC(=O)c1n[n-]c([C@@H](CC(C)C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC001182653740 1002003153 /nfs/dbraw/zinc/00/31/53/1002003153.db2.gz LYLNJNVSORCIJP-CYBMUJFWSA-N 0 1 350.394 2.703 20 10 FFCDMN CCOC(=O)[C@]1(F)CN(Cc2cc(C)cc(OC)c2O)CC12CCC2 ZINC001182856936 1002072535 /nfs/dbraw/zinc/07/25/35/1002072535.db2.gz ZIBAYHIVNRHKEW-LJQANCHMSA-N 0 1 351.418 2.967 20 10 FFCDMN CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000746879309 1002282224 /nfs/dbraw/zinc/28/22/24/1002282224.db2.gz NGASZKOUSBCASD-UHFFFAOYSA-N 0 1 371.481 2.888 20 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CQGWIWFGMXLVIM-QGZVFWFLSA-N 0 1 373.501 2.842 20 10 FFCDMN COc1ccc(N2CC[C@@H](N[C@@H](c3nnc[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000850489362 1005818586 /nfs/dbraw/zinc/81/85/86/1005818586.db2.gz XFEZAQPKQNFGRM-VQIMIIECSA-N 0 1 367.428 2.910 20 10 FFCDMN CN[C@@H](C)c1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881350681 1006058074 /nfs/dbraw/zinc/05/80/74/1006058074.db2.gz GHFGEYYVLNGZRD-LBPRGKRZSA-N 0 1 372.860 2.897 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CC[C@@H]3CC(C)(C)CO3)cc2)CC1 ZINC000881849028 1006242791 /nfs/dbraw/zinc/24/27/91/1006242791.db2.gz MACWUDXUCHUXQH-LJQANCHMSA-N 0 1 359.514 2.650 20 10 FFCDMN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccccc1O ZINC000111235108 1006363166 /nfs/dbraw/zinc/36/31/66/1006363166.db2.gz IPJDDIYPTHBMBO-KRWDZBQOSA-N 0 1 353.466 2.561 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000814804927 1006442633 /nfs/dbraw/zinc/44/26/33/1006442633.db2.gz KYDIRYCAUPZBFW-OPMZPASUSA-N 0 1 371.525 2.760 20 10 FFCDMN CCc1nocc1CNCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815112910 1006513005 /nfs/dbraw/zinc/51/30/05/1006513005.db2.gz HYBCKJKJNVUSPN-UHFFFAOYSA-N 0 1 358.486 2.548 20 10 FFCDMN COC(=O)CCS(=O)(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001188393739 1006544238 /nfs/dbraw/zinc/54/42/38/1006544238.db2.gz MPFFGBMZNLAHCA-UHFFFAOYSA-N 0 1 361.419 2.531 20 10 FFCDMN N[C@]1(C(F)(F)F)CCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001206243946 1032198054 /nfs/dbraw/zinc/19/80/54/1032198054.db2.gz HNQUGHZEIYJXIK-LLVKDONJSA-N 0 1 357.145 2.759 20 10 FFCDMN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190506226 1007664751 /nfs/dbraw/zinc/66/47/51/1007664751.db2.gz KGDKICAQKYKZTM-UHFFFAOYSA-N 0 1 365.382 2.996 20 10 FFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1C1CC1 ZINC001206478252 1032302540 /nfs/dbraw/zinc/30/25/40/1032302540.db2.gz WTOXUHQGWLKICE-QWHCGFSZSA-N 0 1 372.234 2.925 20 10 FFCDMN COC(=O)c1cccc(CN2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000773748135 1009016616 /nfs/dbraw/zinc/01/66/16/1009016616.db2.gz WVSVQSLIGMPXOY-UHFFFAOYSA-N 0 1 355.438 2.589 20 10 FFCDMN CN(C)c1ccc(/C=C/C(=O)NC2CCN(CC(=O)C(C)(C)C)CC2)cc1 ZINC001180130759 1009558668 /nfs/dbraw/zinc/55/86/68/1009558668.db2.gz ZTCYKWUXFVZKBQ-DHZHZOJOSA-N 0 1 371.525 2.962 20 10 FFCDMN CCN1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2F)CC1 ZINC000868038174 1011151523 /nfs/dbraw/zinc/15/15/23/1011151523.db2.gz NBAPCGSRUBDYFP-UHFFFAOYSA-N 0 1 356.445 2.731 20 10 FFCDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172188120 1011662875 /nfs/dbraw/zinc/66/28/75/1011662875.db2.gz FCENBYLHDBRFJC-HUUCEWRRSA-N 0 1 353.466 2.698 20 10 FFCDMN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275027552 1011826464 /nfs/dbraw/zinc/82/64/64/1011826464.db2.gz VFSLWMHSDYCUMM-KKSFZXQISA-N 0 1 357.498 2.881 20 10 FFCDMN Cc1nc(CN2CC[C@@]3(CCCN3Cc3cc(O)ccc3O)C2=O)cs1 ZINC001275035400 1011841814 /nfs/dbraw/zinc/84/18/14/1011841814.db2.gz SZSRYHYSQBDVNX-IBGZPJMESA-N 0 1 373.478 2.630 20 10 FFCDMN CCCCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001275247735 1012135178 /nfs/dbraw/zinc/13/51/78/1012135178.db2.gz FNPJNEVNFFNWNM-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CCCCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001275247735 1012135185 /nfs/dbraw/zinc/13/51/85/1012135185.db2.gz FNPJNEVNFFNWNM-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827119281 1017334406 /nfs/dbraw/zinc/33/44/06/1017334406.db2.gz JKGPCEDGWNSZMR-FQEVSTJZSA-N 0 1 368.477 2.878 20 10 FFCDMN O=C1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000827141953 1017509739 /nfs/dbraw/zinc/50/97/39/1017509739.db2.gz ZIOSGAGAMPGKGB-SJORKVTESA-N 0 1 372.469 2.686 20 10 FFCDMN O=C(COc1ccccc1CNCc1ccc2c(c1)CCO2)N1CCCC1 ZINC000725853456 1020269661 /nfs/dbraw/zinc/26/96/61/1020269661.db2.gz RLPXPVNXMKQWKR-UHFFFAOYSA-N 0 1 366.461 2.913 20 10 FFCDMN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000828905348 1032897865 /nfs/dbraw/zinc/89/78/65/1032897865.db2.gz UWSKGYCBPYEXTE-MRXNPFEDSA-N 0 1 358.413 2.877 20 10 FFCDMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000828905348 1032897876 /nfs/dbraw/zinc/89/78/76/1032897876.db2.gz UWSKGYCBPYEXTE-MRXNPFEDSA-N 0 1 358.413 2.877 20 10 FFCDMN C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218029872 1032961193 /nfs/dbraw/zinc/96/11/93/1032961193.db2.gz OISIUTBJNQTPRO-IAQYHMDHSA-N 0 1 367.401 2.640 20 10 FFCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)NCC(F)(F)F ZINC001116589633 1021298272 /nfs/dbraw/zinc/29/82/72/1021298272.db2.gz ZRADOZHQEUIUIU-HTQZYQBOSA-N 0 1 369.181 2.872 20 10 FFCDMN O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@@H]3CCC[NH2+]C3)c21 ZINC001218284481 1033085573 /nfs/dbraw/zinc/08/55/73/1033085573.db2.gz ZZUZPTAWPDKPKX-DYVFJYSZSA-N 0 1 371.389 2.641 20 10 FFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000828015075 1023246685 /nfs/dbraw/zinc/24/66/85/1023246685.db2.gz ASEFKYMUAYJYFD-DZGCQCFKSA-N 0 1 358.413 2.877 20 10 FFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828015075 1023246694 /nfs/dbraw/zinc/24/66/94/1023246694.db2.gz ASEFKYMUAYJYFD-DZGCQCFKSA-N 0 1 358.413 2.877 20 10 FFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000828015075 1023246704 /nfs/dbraw/zinc/24/67/04/1023246704.db2.gz ASEFKYMUAYJYFD-DZGCQCFKSA-N 0 1 358.413 2.877 20 10 FFCDMN CN(Cc1ccco1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000078680600 1023922104 /nfs/dbraw/zinc/92/21/04/1023922104.db2.gz VMBZEKWMVDTTCA-GOSISDBHSA-N 0 1 358.438 2.625 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000245470554 1025438308 /nfs/dbraw/zinc/43/83/08/1025438308.db2.gz WNSLGSQUYBAUHD-AERCQKQUSA-N 0 1 371.525 2.760 20 10 FFCDMN Cc1cncnc1O[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146063 1025523696 /nfs/dbraw/zinc/52/36/96/1025523696.db2.gz JHYQKSVINNIAOC-KRWDZBQOSA-N 0 1 354.454 2.657 20 10 FFCDMN COc1ccc(C2(NCC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000839541254 1026723660 /nfs/dbraw/zinc/72/36/60/1026723660.db2.gz UPVZCSRFINRMCJ-UHFFFAOYSA-N 0 1 353.466 2.656 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000839921438 1026867334 /nfs/dbraw/zinc/86/73/34/1026867334.db2.gz ZJCYENBFTFILLL-OAHLLOKOSA-N 0 1 354.498 2.953 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ccc(C4CC4)nn3)CC2)cc1 ZINC001156261463 1029115916 /nfs/dbraw/zinc/11/59/16/1029115916.db2.gz WTDXJOCPNQVKSR-UHFFFAOYSA-N 0 1 367.497 2.987 20 10 FFCDMN CC(=O)N1CCN(c2cccc(NC(=O)c3c(O)cccc3Cl)c2)CC1 ZINC000781271482 1029117116 /nfs/dbraw/zinc/11/71/16/1029117116.db2.gz XUBBZERWEBQYPL-UHFFFAOYSA-N 0 1 373.840 2.966 20 10 FFCDMN CN1CCN(c2ccc(CNc3ncnc4cnc(F)cc43)cc2)CC1 ZINC001156655807 1029290367 /nfs/dbraw/zinc/29/03/67/1029290367.db2.gz LIFDCBIHOKOIQP-UHFFFAOYSA-N 0 1 352.417 2.528 20 10 FFCDMN C[C@H]1CCc2nnc(NCc3ccc(N4CCN(C)CC4)cc3)cc2C1 ZINC001156659280 1029292914 /nfs/dbraw/zinc/29/29/14/1029292914.db2.gz JLOGLSCJKLMADS-INIZCTEOSA-N 0 1 351.498 2.965 20 10 FFCDMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(N)cc1 ZINC000841300300 1030172120 /nfs/dbraw/zinc/17/21/20/1030172120.db2.gz UFNJXZPBXYPYPY-UHFFFAOYSA-N 0 1 367.497 2.550 20 10 FFCDMN COC[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H](C)O1 ZINC000783969602 1030372490 /nfs/dbraw/zinc/37/24/90/1030372490.db2.gz ZFBVGZMVFMLIME-ZBFHGGJFSA-N 0 1 371.433 2.565 20 10 FFCDMN COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1ccccc1O ZINC001203551983 1030760362 /nfs/dbraw/zinc/76/03/62/1030760362.db2.gz WDHBAFJWEFMCPB-LJQANCHMSA-N 0 1 371.481 2.761 20 10 FFCDMN Oc1ccccc1CN1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001203555524 1030762360 /nfs/dbraw/zinc/76/23/60/1030762360.db2.gz BZLGULQQGFNFDV-GOSISDBHSA-N 0 1 364.449 2.833 20 10 FFCDMN COc1cccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001203591600 1030775888 /nfs/dbraw/zinc/77/58/88/1030775888.db2.gz KGUPCNJRSQGUTD-INIZCTEOSA-N 0 1 357.454 2.656 20 10 FFCDMN COc1ccc(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203627989 1030796285 /nfs/dbraw/zinc/79/62/85/1030796285.db2.gz UMXHXJLBCGTLGF-CABCVRRESA-N 0 1 354.422 2.838 20 10 FFCDMN O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC001203657394 1030809531 /nfs/dbraw/zinc/80/95/31/1030809531.db2.gz DJMXANSISMWSGG-HOTGVXAUSA-N 0 1 357.841 2.645 20 10 FFCDMN O=C(c1ccco1)N1CCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878301 1030952707 /nfs/dbraw/zinc/95/27/07/1030952707.db2.gz REJXOUPDXDFWQK-UHFFFAOYSA-N 0 1 356.422 2.962 20 10 FFCDMN Oc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1O ZINC001203878411 1030953315 /nfs/dbraw/zinc/95/33/15/1030953315.db2.gz TXZHUEVDOXIQNT-PZJWPPBQSA-N 0 1 370.449 2.943 20 10 FFCDMN Oc1ccc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1O ZINC001203878411 1030953324 /nfs/dbraw/zinc/95/33/24/1030953324.db2.gz TXZHUEVDOXIQNT-PZJWPPBQSA-N 0 1 370.449 2.943 20 10 FFCDMN COC(=O)Cc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001142898132 1031013151 /nfs/dbraw/zinc/01/31/51/1031013151.db2.gz GDJGJPHYHRDLEO-UHFFFAOYSA-N 0 1 354.450 2.733 20 10 FFCDMN CC(C)NC(=O)CN1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204242883 1031183763 /nfs/dbraw/zinc/18/37/63/1031183763.db2.gz UACPPNLMPITHLI-UHFFFAOYSA-N 0 1 368.525 2.548 20 10 FFCDMN Oc1ccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c(O)c1 ZINC001204272859 1031198037 /nfs/dbraw/zinc/19/80/37/1031198037.db2.gz UHIOLXWTUXWZBD-UHFFFAOYSA-N 0 1 353.344 2.834 20 10 FFCDMN CS(=O)(=O)c1cccc(C2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204277691 1031203924 /nfs/dbraw/zinc/20/39/24/1031203924.db2.gz IJDCTVHMZRJGDW-UHFFFAOYSA-N 0 1 361.463 2.881 20 10 FFCDMN O=C([N-]C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC001204320908 1031226652 /nfs/dbraw/zinc/22/66/52/1031226652.db2.gz DENSLDBAIVFKMJ-UHFFFAOYSA-N 0 1 355.404 2.930 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)NCC3CC(C)C3)CC2)cc1 ZINC001223305057 1033383004 /nfs/dbraw/zinc/38/30/04/1033383004.db2.gz DCXZWYSZTVRJRD-UHFFFAOYSA-N 0 1 374.529 2.553 20 10 FFCDMN CCOC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2cn(C)nc21 ZINC001138355246 1034190853 /nfs/dbraw/zinc/19/08/53/1034190853.db2.gz MLMJJBXHKUTUQV-LJQANCHMSA-N 0 1 354.498 2.938 20 10 FFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001277067247 1034383231 /nfs/dbraw/zinc/38/32/31/1034383231.db2.gz XTBXCCXRATZIKS-KRWDZBQOSA-N 0 1 374.815 2.744 20 10 FFCDMN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139130725 1034960355 /nfs/dbraw/zinc/96/03/55/1034960355.db2.gz ICDOQYCOHWSFQV-RFUYNDQBSA-N 0 1 371.433 2.971 20 10 FFCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccnnc4)C3)C2)cc1 ZINC001139982245 1035297044 /nfs/dbraw/zinc/29/70/44/1035297044.db2.gz HMTPTIVUVPLTBJ-NRFANRHFSA-N 0 1 368.481 2.604 20 10 FFCDMN Oc1ccc(F)cc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001140054260 1035323608 /nfs/dbraw/zinc/32/36/08/1035323608.db2.gz NXYCGJIVIFMTTG-UHFFFAOYSA-N 0 1 350.397 2.984 20 10 FFCDMN O=C1[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001140055563 1035324788 /nfs/dbraw/zinc/32/47/88/1035324788.db2.gz LCBKQJYSEPSGNF-YJBOKZPZSA-N 0 1 358.388 2.761 20 10 FFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140056146 1035324871 /nfs/dbraw/zinc/32/48/71/1035324871.db2.gz JPUXEWWSQLDURT-GFCCVEGCSA-N 0 1 357.307 2.993 20 10 FFCDMN CCN1CC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001140099381 1035342238 /nfs/dbraw/zinc/34/22/38/1035342238.db2.gz DLVURHXXXZDCOA-QGZVFWFLSA-N 0 1 367.287 2.989 20 10 FFCDMN CCN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001140099381 1035342240 /nfs/dbraw/zinc/34/22/40/1035342240.db2.gz DLVURHXXXZDCOA-QGZVFWFLSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140465599 1035485727 /nfs/dbraw/zinc/48/57/27/1035485727.db2.gz QUAFWMRINSTONL-XLIONFOSSA-N 0 1 371.868 2.969 20 10 FFCDMN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140465599 1035485731 /nfs/dbraw/zinc/48/57/31/1035485731.db2.gz QUAFWMRINSTONL-XLIONFOSSA-N 0 1 371.868 2.969 20 10 FFCDMN COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001140467721 1035486243 /nfs/dbraw/zinc/48/62/43/1035486243.db2.gz WFLYHQPQUWYIGK-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001140467721 1035486244 /nfs/dbraw/zinc/48/62/44/1035486244.db2.gz WFLYHQPQUWYIGK-GOSISDBHSA-N 0 1 352.862 2.507 20 10 FFCDMN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@H]21 ZINC001232260361 1035532352 /nfs/dbraw/zinc/53/23/52/1035532352.db2.gz WBYQMCBLFXTWPN-IUODEOHRSA-N 0 1 352.862 2.830 20 10 FFCDMN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@H]21 ZINC001232260361 1035532357 /nfs/dbraw/zinc/53/23/57/1035532357.db2.gz WBYQMCBLFXTWPN-IUODEOHRSA-N 0 1 352.862 2.830 20 10 FFCDMN CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)C1=O ZINC001277212675 1035573162 /nfs/dbraw/zinc/57/31/62/1035573162.db2.gz KXPKNZYGQKPUKI-LJQANCHMSA-N 0 1 366.889 2.957 20 10 FFCDMN CCOCCN1CC[C@]2(CCCN2Cc2cc(Cl)c(C)cc2O)C1=O ZINC001277212675 1035573167 /nfs/dbraw/zinc/57/31/67/1035573167.db2.gz KXPKNZYGQKPUKI-LJQANCHMSA-N 0 1 366.889 2.957 20 10 FFCDMN COCCCN1CC[C@]2(CCCN2Cc2cc(Cl)c(C)cc2O)C1=O ZINC001277214701 1035587065 /nfs/dbraw/zinc/58/70/65/1035587065.db2.gz XVQVYKGGSRZVSE-LJQANCHMSA-N 0 1 366.889 2.957 20 10 FFCDMN C[N@@H+]1CC[C@@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227504838 1035588120 /nfs/dbraw/zinc/58/81/20/1035588120.db2.gz LTXMCRRJJSFFFL-CYBMUJFWSA-N 0 1 353.374 2.954 20 10 FFCDMN C[N@H+]1CC[C@@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227504838 1035588148 /nfs/dbraw/zinc/58/81/48/1035588148.db2.gz LTXMCRRJJSFFFL-CYBMUJFWSA-N 0 1 353.374 2.954 20 10 FFCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H](C(C)=O)c2ccccc2)c1O ZINC001227621848 1035641806 /nfs/dbraw/zinc/64/18/06/1035641806.db2.gz IHGUPQRIHTUKCE-LBPRGKRZSA-N 0 1 364.375 2.736 20 10 FFCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H]2Cc3ccncc3[C@H]2C)c1O ZINC001227623603 1035641821 /nfs/dbraw/zinc/64/18/21/1035641821.db2.gz TVKNTLCSKNJJAE-KCJUWKMLSA-N 0 1 363.391 2.529 20 10 FFCDMN C[N@H+](Cc1c([O-])cc(F)cc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001140583129 1035663328 /nfs/dbraw/zinc/66/33/28/1035663328.db2.gz WRHRWSYXOCOBFV-ZDUSSCGKSA-N 0 1 372.412 2.738 20 10 FFCDMN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232578 1035682631 /nfs/dbraw/zinc/68/26/31/1035682631.db2.gz URTREGWOAZVURX-ORAYPTAESA-N 0 1 364.873 2.980 20 10 FFCDMN CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)OCC1=O ZINC001277232704 1035682735 /nfs/dbraw/zinc/68/27/35/1035682735.db2.gz XNKQDVKOEHETRS-FZKQIMNGSA-N 0 1 352.862 2.647 20 10 FFCDMN [O-]c1cc(I)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001232974255 1036208233 /nfs/dbraw/zinc/20/82/33/1036208233.db2.gz JMAMGSMGYRJSIU-UHFFFAOYSA-N 0 1 373.234 2.999 20 10 FFCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233031550 1036270495 /nfs/dbraw/zinc/27/04/95/1036270495.db2.gz GKPMMPDKDMOHSU-LLVKDONJSA-N 0 1 355.211 2.722 20 10 FFCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233031550 1036270506 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20 10 FFCDMN COc1cccc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280832326 511620791 /nfs/dbraw/zinc/62/07/91/511620791.db2.gz WYHGZMPFGKIRHM-RDTXWAMCSA-N 0 1 363.479 2.973 20 10 FFCDMN O=C(c1ccc2cncn2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000284545254 511765406 /nfs/dbraw/zinc/76/54/06/511765406.db2.gz BCXPWTVDSQCCTL-GOSISDBHSA-N 0 1 351.406 2.861 20 10 FFCDMN Fc1cc(CN[C@H](c2cccs2)c2nnc[nH]2)ccc1N1CCOCC1 ZINC000293714722 512060214 /nfs/dbraw/zinc/06/02/14/512060214.db2.gz MDVRPCIYYXIXGV-QGZVFWFLSA-N 0 1 373.457 2.721 20 10 FFCDMN COC(=O)c1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC000375687649 512456803 /nfs/dbraw/zinc/45/68/03/512456803.db2.gz KGTNHXYAXHQAFW-UHFFFAOYSA-N 0 1 355.438 2.589 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@]23CCOC3)C1 ZINC000422064391 513557334 /nfs/dbraw/zinc/55/73/34/513557334.db2.gz FHPJMGYUYHZOFC-JOCHJYFZSA-N 0 1 367.493 2.799 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000471590176 514943965 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CCn1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000618043165 520843301 /nfs/dbraw/zinc/84/33/01/520843301.db2.gz WRRJYASXJUOMRL-UHFFFAOYSA-N 0 1 365.481 2.685 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738398628 598466085 /nfs/dbraw/zinc/46/60/85/598466085.db2.gz XREBPVQFRRDYAR-UHFFFAOYSA-N 0 1 360.215 2.625 20 10 FFCDMN CN1CCCc2cc(CNCc3ccc(-c4nn[nH]n4)cc3F)ccc21 ZINC000821625684 607477225 /nfs/dbraw/zinc/47/72/25/607477225.db2.gz UCMCGMDHKGSKPO-UHFFFAOYSA-N 0 1 352.417 2.678 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000833306821 601632403 /nfs/dbraw/zinc/63/24/03/601632403.db2.gz AEKWBLSGYXDSQK-MSOLQXFVSA-N 0 1 357.406 2.623 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000739780119 603397813 /nfs/dbraw/zinc/39/78/13/603397813.db2.gz MXWQCESGOSIMDZ-YVEFUNNKSA-N 0 1 372.421 2.810 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694960 604645565 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COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000186421573 729364735 /nfs/dbraw/zinc/36/47/35/729364735.db2.gz ATOYJIIPBSGLBW-LLVKDONJSA-N 0 1 352.406 2.690 20 10 FFCDMN CCOc1cncc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000856717670 730349453 /nfs/dbraw/zinc/34/94/53/730349453.db2.gz HBFLCQLUXMRYOF-DHDCSXOGSA-N 0 1 363.508 2.776 20 10 FFCDMN COC1CC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000860242428 730493190 /nfs/dbraw/zinc/49/31/90/730493190.db2.gz QTRJXABAYMWGMQ-NRAUKZCXSA-N 0 1 352.862 2.551 20 10 FFCDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862383275 730694985 /nfs/dbraw/zinc/69/49/85/730694985.db2.gz OVZZMXJXZIMOEM-LLVKDONJSA-N 0 1 357.248 2.817 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388297 730695912 /nfs/dbraw/zinc/69/59/12/730695912.db2.gz ZOIUSZQVLDORBS-QPUJVOFHSA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388297 730695914 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1076120081 /nfs/dbraw/zinc/12/00/81/1076120081.db2.gz MLJOLGRBUHEATI-UHFFFAOYSA-N 0 1 358.781 2.826 20 10 FFCDMN O=S(=O)(CC[NH2+]Cc1ccc(Cl)cc1[O-])CCc1ccccc1 ZINC001560784933 1076299689 /nfs/dbraw/zinc/29/96/89/1076299689.db2.gz YULGOMXHOGEMDQ-UHFFFAOYSA-N 0 1 353.871 2.793 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NC3(c4ccccc4)CC3)cc2)CC1 ZINC001565271344 1076707475 /nfs/dbraw/zinc/70/74/75/1076707475.db2.gz PUBJLPIGHSKCHR-UHFFFAOYSA-N 0 1 364.493 2.927 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)c1cccs1)cc2=O ZINC000052283225 507805266 /nfs/dbraw/zinc/80/52/66/507805266.db2.gz NISSPXBRTVEXEL-LLVKDONJSA-N 0 1 360.439 2.866 20 10 FFCDMN CN(C)S(=O)(=O)c1ccccc1CNCc1c(O)cccc1Cl ZINC000113319278 508260739 /nfs/dbraw/zinc/26/07/39/508260739.db2.gz WHMLTCLXTXAGJE-UHFFFAOYSA-N 0 1 354.859 2.586 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2F)CC1 ZINC000106702453 508403731 /nfs/dbraw/zinc/40/37/31/508403731.db2.gz SAYOMYLGVMVZGM-KRWDZBQOSA-N 0 1 363.477 2.543 20 10 FFCDMN CCCOc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c(O)c1 ZINC000121226747 509153435 /nfs/dbraw/zinc/15/34/35/509153435.db2.gz HMHNCBCQUIUJSV-UHFFFAOYSA-N 0 1 372.513 2.974 20 10 FFCDMN CCCOc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c([O-])c1 ZINC000121226747 509153437 /nfs/dbraw/zinc/15/34/37/509153437.db2.gz HMHNCBCQUIUJSV-UHFFFAOYSA-N 0 1 372.513 2.974 20 10 FFCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000182787451 509426307 /nfs/dbraw/zinc/42/63/07/509426307.db2.gz HPXMAOAVHOWDLB-UHFFFAOYSA-N 0 1 372.468 2.849 20 10 FFCDMN COc1ccc(O)c([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964710 510606180 /nfs/dbraw/zinc/60/61/80/510606180.db2.gz DYVDLNKMJQGUTC-ZDUSSCGKSA-N 0 1 364.467 2.502 20 10 FFCDMN Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000278545862 510998292 /nfs/dbraw/zinc/99/82/92/510998292.db2.gz YHICZMHPWFSDBD-AWEZNQCLSA-N 0 1 365.275 2.647 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc(F)c(C)c1)cc2=O ZINC000271796706 511326866 /nfs/dbraw/zinc/32/68/66/511326866.db2.gz OJKCJDNYOHXELE-GFCCVEGCSA-N 0 1 372.400 2.910 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(c3ccccn3)CC2)cc1 ZINC000363446107 511557509 /nfs/dbraw/zinc/55/75/09/511557509.db2.gz GHVITDMGFGEBOZ-UHFFFAOYSA-N 0 1 366.509 2.986 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ncc(Cl)cn3)CC2)cc1 ZINC000301490908 511697104 /nfs/dbraw/zinc/69/71/04/511697104.db2.gz MVJLUWMXADPVNO-UHFFFAOYSA-N 0 1 361.877 2.763 20 10 FFCDMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120862 512027763 /nfs/dbraw/zinc/02/77/63/512027763.db2.gz YNEPZUWGTCYHMZ-MSOLQXFVSA-N 0 1 351.450 2.941 20 10 FFCDMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120862 512027769 /nfs/dbraw/zinc/02/77/69/512027769.db2.gz YNEPZUWGTCYHMZ-MSOLQXFVSA-N 0 1 351.450 2.941 20 10 FFCDMN CO[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444278341 514177077 /nfs/dbraw/zinc/17/70/77/514177077.db2.gz TYUJUZMQHGGKEJ-MRXNPFEDSA-N 0 1 355.482 2.655 20 10 FFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000471590177 514944395 /nfs/dbraw/zinc/94/43/95/514944395.db2.gz UXWOCYTUFIZHME-IYBDPMFKSA-N 0 1 372.513 2.785 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ncon2)C1 ZINC000515762296 517467798 /nfs/dbraw/zinc/46/77/98/517467798.db2.gz BZHWRCFJAXFINA-AWEZNQCLSA-N 0 1 367.453 2.668 20 10 FFCDMN O=C([O-])[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548473 599956907 /nfs/dbraw/zinc/95/69/07/599956907.db2.gz HDPBIMIHOVSOBR-OAHLLOKOSA-N 0 1 366.211 2.593 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1O ZINC000825946771 601422563 /nfs/dbraw/zinc/42/25/63/601422563.db2.gz PKACALVGPAMLTE-UHFFFAOYSA-N 0 1 355.818 2.704 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1O ZINC000825946771 601422566 /nfs/dbraw/zinc/42/25/66/601422566.db2.gz PKACALVGPAMLTE-UHFFFAOYSA-N 0 1 355.818 2.704 20 10 FFCDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1O ZINC000834094981 606062081 /nfs/dbraw/zinc/06/20/81/606062081.db2.gz JCDIVVYCQUXHFX-NEPJUHHUSA-N 0 1 355.232 2.871 20 10 FFCDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1O ZINC000834094981 606062088 /nfs/dbraw/zinc/06/20/88/606062088.db2.gz JCDIVVYCQUXHFX-NEPJUHHUSA-N 0 1 355.232 2.871 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000154815724 728812850 /nfs/dbraw/zinc/81/28/50/728812850.db2.gz MBIWEGQABZXJGO-ZDUSSCGKSA-N 0 1 367.287 2.893 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000154815724 728812854 /nfs/dbraw/zinc/81/28/54/728812854.db2.gz MBIWEGQABZXJGO-ZDUSSCGKSA-N 0 1 367.287 2.893 20 10 FFCDMN CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000898398106 735355038 /nfs/dbraw/zinc/35/50/38/735355038.db2.gz CBZIBZVTWLEFPC-HSZRJFAPSA-N 0 1 359.923 2.832 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)[nH]n1 ZINC000745831132 735447055 /nfs/dbraw/zinc/44/70/55/735447055.db2.gz SBWJAWFRFFKZOS-UHFFFAOYSA-N 0 1 367.247 2.918 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C/c3csc([N+](=O)[O-])c3)SC2=S)CC1 ZINC000063823862 728138487 /nfs/dbraw/zinc/13/84/87/728138487.db2.gz GSWVTUHKZFGPCE-WDZFZDKYSA-N 0 1 369.493 2.952 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1[O-] ZINC000121630850 728633652 /nfs/dbraw/zinc/63/36/52/728633652.db2.gz YTMFQYGYUUYCCN-UHFFFAOYSA-N 0 1 363.801 2.982 20 10 FFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779196006 738442719 /nfs/dbraw/zinc/44/27/19/738442719.db2.gz MVODMGAAXRULME-MRVPVSSYSA-N 0 1 354.731 2.685 20 10 FFCDMN COCCOc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858098669 730416519 /nfs/dbraw/zinc/41/65/19/730416519.db2.gz CPJGQNJERXEUSS-UHFFFAOYSA-N 0 1 367.243 2.865 20 10 FFCDMN COCCOc1ccc(CNCc2c(O)cccc2Br)cn1 ZINC000858098669 730416520 /nfs/dbraw/zinc/41/65/20/730416520.db2.gz CPJGQNJERXEUSS-UHFFFAOYSA-N 0 1 367.243 2.865 20 10 FFCDMN Cc1ncccc1NC(=O)[C@H](C)NCc1c(O)cccc1Br ZINC000858175971 730418774 /nfs/dbraw/zinc/41/87/74/730418774.db2.gz YSEZGNWYHCDTEN-NSHDSACASA-N 0 1 364.243 2.975 20 10 FFCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)C1(O)CCOCC1 ZINC000858179619 730418935 /nfs/dbraw/zinc/41/89/35/730418935.db2.gz QIKKEGCOEJFOPJ-UHFFFAOYSA-N 0 1 358.276 2.812 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603949 730429703 /nfs/dbraw/zinc/42/97/03/730429703.db2.gz YIJCFMPQAJOFBO-HZMBPMFUSA-N 0 1 353.260 2.959 20 10 FFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1F ZINC000862221905 730677847 /nfs/dbraw/zinc/67/78/47/730677847.db2.gz JSOLIYLENGSBHH-AWEZNQCLSA-N 0 1 351.441 2.769 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000862406979 730698293 /nfs/dbraw/zinc/69/82/93/730698293.db2.gz SXKSYGMGYBQVEC-AWEZNQCLSA-N 0 1 369.303 2.841 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000862406979 730698296 /nfs/dbraw/zinc/69/82/96/730698296.db2.gz SXKSYGMGYBQVEC-AWEZNQCLSA-N 0 1 369.303 2.841 20 10 FFCDMN CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000862503591 730705760 /nfs/dbraw/zinc/70/57/60/730705760.db2.gz YLDCGWBXKADFAT-UHFFFAOYSA-N 0 1 369.849 2.641 20 10 FFCDMN COc1ccccc1[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864508148 730854757 /nfs/dbraw/zinc/85/47/57/730854757.db2.gz VBRHKWUHPIXSAT-QGZVFWFLSA-N 0 1 350.365 2.955 20 10 FFCDMN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753230 731826904 /nfs/dbraw/zinc/82/69/04/731826904.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N 0 1 353.344 2.583 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000877567571 732389803 /nfs/dbraw/zinc/38/98/03/732389803.db2.gz YKIRYVIMDUYGJK-GXSJLCMTSA-N 0 1 364.314 2.513 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000781913393 738672093 /nfs/dbraw/zinc/67/20/93/738672093.db2.gz TXENAIMXFCUWGR-UHFFFAOYSA-N 0 1 371.319 2.742 20 10 FFCDMN Cc1cc(Br)c([O-])c(CN2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000781913393 738672097 /nfs/dbraw/zinc/67/20/97/738672097.db2.gz TXENAIMXFCUWGR-UHFFFAOYSA-N 0 1 371.319 2.742 20 10 FFCDMN CN(Cc1cccs1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889674097 734206683 /nfs/dbraw/zinc/20/66/83/734206683.db2.gz YIZUVCASLQOAOW-UHFFFAOYSA-N 0 1 358.511 2.842 20 10 FFCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1nc(CSC)n[nH]1 ZINC000891089922 734378184 /nfs/dbraw/zinc/37/81/84/734378184.db2.gz FPEARGPHIPAMAY-UHFFFAOYSA-N 0 1 363.487 2.885 20 10 FFCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1nnc(CSC)[nH]1 ZINC000891089922 734378187 /nfs/dbraw/zinc/37/81/87/734378187.db2.gz FPEARGPHIPAMAY-UHFFFAOYSA-N 0 1 363.487 2.885 20 10 FFCDMN C[N@@H+](CCN1CCCC1=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894016607 734787196 /nfs/dbraw/zinc/78/71/96/734787196.db2.gz HCLZENIDJIKPGL-UHFFFAOYSA-N 0 1 361.667 2.862 20 10 FFCDMN Fc1cc(CNCc2cn3ccnc3s2)cc(F)c1N1CCOCC1 ZINC000894842738 734926094 /nfs/dbraw/zinc/92/60/94/734926094.db2.gz CVAUIPXTXMGHSW-UHFFFAOYSA-N 0 1 364.421 2.800 20 10 FFCDMN O=C(N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000894899723 734933828 /nfs/dbraw/zinc/93/38/28/734933828.db2.gz ACNWBUXBZBJVKJ-MWLCHTKSSA-N 0 1 364.314 2.513 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000895053645 734958114 /nfs/dbraw/zinc/95/81/14/734958114.db2.gz QJHBLZPJXONDNP-GFCCVEGCSA-N 0 1 355.211 2.722 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896568468 735175098 /nfs/dbraw/zinc/17/50/98/735175098.db2.gz NFWWOTCEILSYGP-WBVHZDCISA-N 0 1 360.527 2.520 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896568468 735175100 /nfs/dbraw/zinc/17/51/00/735175100.db2.gz NFWWOTCEILSYGP-WBVHZDCISA-N 0 1 360.527 2.520 20 10 FFCDMN Cc1cc(Br)cc(CN2CCc3sc(CN)nc3C2)c1O ZINC000903942961 736193009 /nfs/dbraw/zinc/19/30/09/736193009.db2.gz YYNZKJBCZGJOQG-UHFFFAOYSA-N 0 1 368.300 2.937 20 10 FFCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000757706275 736421359 /nfs/dbraw/zinc/42/13/59/736421359.db2.gz VWDXGNHORHBHRP-SWLSCSKDSA-N 0 1 370.490 2.731 20 10 FFCDMN COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000758506144 736495761 /nfs/dbraw/zinc/49/57/61/736495761.db2.gz MKGOTHMIPWVYKM-UHFFFAOYSA-N 0 1 369.870 2.756 20 10 FFCDMN Cc1ncc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000761451858 736736494 /nfs/dbraw/zinc/73/64/94/736736494.db2.gz NZZNKCOGCGARDO-ZDUSSCGKSA-N 0 1 365.524 2.537 20 10 FFCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000761995982 736780816 /nfs/dbraw/zinc/78/08/16/736780816.db2.gz QHUIDDXJVFMJIP-UHFFFAOYSA-N 0 1 364.379 2.827 20 10 FFCDMN CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781752 737049038 /nfs/dbraw/zinc/04/90/38/737049038.db2.gz XZMKKZLUWAPNFT-LLVKDONJSA-N 0 1 358.280 2.684 20 10 FFCDMN CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781752 737049041 /nfs/dbraw/zinc/04/90/41/737049041.db2.gz XZMKKZLUWAPNFT-LLVKDONJSA-N 0 1 358.280 2.684 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000766047443 737186400 /nfs/dbraw/zinc/18/64/00/737186400.db2.gz ISVREIXOESTJCQ-UHFFFAOYSA-N 0 1 364.379 2.921 20 10 FFCDMN COc1cccc(O)c1CN1CCN(c2ncnc3sccc32)CC1 ZINC000768235635 737408136 /nfs/dbraw/zinc/40/81/36/737408136.db2.gz BOWSKMMRMXCVJT-UHFFFAOYSA-N 0 1 356.451 2.728 20 10 FFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCN1C ZINC000769289237 737514466 /nfs/dbraw/zinc/51/44/66/737514466.db2.gz BCNQSQRNERTEIJ-AWEZNQCLSA-N 0 1 355.276 2.988 20 10 FFCDMN O[C@H]([C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000769381698 737522357 /nfs/dbraw/zinc/52/23/57/737522357.db2.gz QHJPQHBFIAYMSN-HZPDHXFCSA-N 0 1 362.367 2.550 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCCC[C@@H]21 ZINC000769415678 737526497 /nfs/dbraw/zinc/52/64/97/737526497.db2.gz ZUOKMJHYQITDEH-KGLIPLIRSA-N 0 1 374.300 2.696 20 10 FFCDMN CS(=O)(=O)[C@@H]1CCCCN(Cc2cccc(Br)c2O)C1 ZINC000775190646 738071491 /nfs/dbraw/zinc/07/14/91/738071491.db2.gz GKRTXBHGFOSTLB-GFCCVEGCSA-N 0 1 362.289 2.554 20 10 FFCDMN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)cc1C ZINC000775286963 738078455 /nfs/dbraw/zinc/07/84/55/738078455.db2.gz SEFITUJRMNZYFA-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c(C)c(C)c1O ZINC000775292388 738080139 /nfs/dbraw/zinc/08/01/39/738080139.db2.gz ZAJVFYKXZJHTER-UHFFFAOYSA-N 0 1 369.464 2.522 20 10 FFCDMN CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775486743 738096431 /nfs/dbraw/zinc/09/64/31/738096431.db2.gz GRTWOTCWSNSETE-INIZCTEOSA-N 0 1 368.886 2.976 20 10 FFCDMN COc1cc(C)nc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775684890 738113035 /nfs/dbraw/zinc/11/30/35/738113035.db2.gz VRUAJIIKLZPQQJ-UHFFFAOYSA-N 0 1 366.824 2.614 20 10 FFCDMN O=C(C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000775718021 738117046 /nfs/dbraw/zinc/11/70/46/738117046.db2.gz LCTMIOCDYTZZHZ-OAHLLOKOSA-N 0 1 370.852 2.788 20 10 FFCDMN O=C(C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000775718021 738117050 /nfs/dbraw/zinc/11/70/50/738117050.db2.gz LCTMIOCDYTZZHZ-OAHLLOKOSA-N 0 1 370.852 2.788 20 10 FFCDMN [O-]C1=[NH+]CCN1CCn1ccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000922588365 738169743 /nfs/dbraw/zinc/16/97/43/738169743.db2.gz IZTWJEPQUDPTAF-UHFFFAOYSA-N 0 1 370.240 2.533 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2cncn2c1 ZINC000785879305 739007072 /nfs/dbraw/zinc/00/70/72/739007072.db2.gz CXIDFJQFSIHZKV-UHFFFAOYSA-N 0 1 352.463 2.818 20 10 FFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000790412142 739450519 /nfs/dbraw/zinc/45/05/19/739450519.db2.gz YIUFCWGKUGHMEL-UHFFFAOYSA-N 0 1 365.407 2.687 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000790418053 739451499 /nfs/dbraw/zinc/45/14/99/739451499.db2.gz RBRRSMHRURZBRV-UHFFFAOYSA-N 0 1 352.368 2.672 20 10 FFCDMN CN(C)c1ccc(CN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000933085872 739569034 /nfs/dbraw/zinc/56/90/34/739569034.db2.gz HCZFICCEBHQOCZ-UHFFFAOYSA-N 0 1 365.543 2.533 20 10 FFCDMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2SC)ccc1[N+](=O)[O-] ZINC000792703009 739696007 /nfs/dbraw/zinc/69/60/07/739696007.db2.gz NOMXRQOYWASYTF-UHFFFAOYSA-N 0 1 370.408 2.832 20 10 FFCDMN O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1[O-])CCc1ccccc1 ZINC000800311832 740511024 /nfs/dbraw/zinc/51/10/24/740511024.db2.gz RVRIKEVRRBGRIP-UHFFFAOYSA-N 0 1 353.871 2.793 20 10 FFCDMN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000800899341 740562269 /nfs/dbraw/zinc/56/22/69/740562269.db2.gz KVNBXLGECHLZQF-INIZCTEOSA-N 0 1 360.841 2.815 20 10 FFCDMN O=C(Cc1[nH]nc2ccccc21)NCc1cc(Br)ccc1O ZINC000804737222 740901022 /nfs/dbraw/zinc/90/10/22/740901022.db2.gz GBGPUEJKINRGML-UHFFFAOYSA-N 0 1 360.211 2.890 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC[C@@H]1CCCO1 ZINC000805011944 740925662 /nfs/dbraw/zinc/92/56/62/740925662.db2.gz YVHOYTVXRQMKTF-CVEARBPZSA-N 0 1 368.861 2.915 20 10 FFCDMN Cc1ncc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000805134548 740943714 /nfs/dbraw/zinc/94/37/14/740943714.db2.gz CHHLCHFPXJDTAS-UHFFFAOYSA-N 0 1 353.252 2.942 20 10 FFCDMN Cc1nc(C)c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)[nH]1 ZINC000807835253 741162327 /nfs/dbraw/zinc/16/23/27/741162327.db2.gz BPIJBRYZMCGNPU-UHFFFAOYSA-N 0 1 356.209 2.670 20 10 FFCDMN CNC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838518 741162909 /nfs/dbraw/zinc/16/29/09/741162909.db2.gz VPCOSNSEDCNXRH-UHFFFAOYSA-N 0 1 353.205 2.989 20 10 FFCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000808688550 741252144 /nfs/dbraw/zinc/25/21/44/741252144.db2.gz UAHKNKOTJOJJTR-GFCCVEGCSA-N 0 1 360.907 2.676 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000809700777 741333722 /nfs/dbraw/zinc/33/37/22/741333722.db2.gz NZJPYPDGTPLMDN-UKRRQHHQSA-N 0 1 369.303 2.758 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)c1cn[nH]c1-c1ccccn1 ZINC000811523969 741533669 /nfs/dbraw/zinc/53/36/69/741533669.db2.gz SVWLDFVKGVTDMX-UHFFFAOYSA-N 0 1 373.210 2.870 20 10 FFCDMN O=C(c1ccccc1O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816491903 742034397 /nfs/dbraw/zinc/03/43/97/742034397.db2.gz BZEVGGCDVUYTIA-UHFFFAOYSA-N 0 1 364.804 2.848 20 10 FFCDMN CCN(C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1)S(C)(=O)=O ZINC000816508422 742036555 /nfs/dbraw/zinc/03/65/55/742036555.db2.gz LZYCXXDEFPZCIT-UHFFFAOYSA-N 0 1 362.495 2.791 20 10 FFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511308 742036821 /nfs/dbraw/zinc/03/68/21/742036821.db2.gz TZYOZVIPKXVIAR-NSHDSACASA-N 0 1 354.731 2.780 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817882136 742220395 /nfs/dbraw/zinc/22/03/95/742220395.db2.gz ZWHOIEDARDIBTB-ONGXEEELSA-N 0 1 358.232 2.706 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Cl ZINC000825160680 743220553 /nfs/dbraw/zinc/22/05/53/743220553.db2.gz UONOQRCZERPEQY-UHFFFAOYSA-N 0 1 368.886 2.563 20 10 FFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1Cl ZINC000825259115 743237202 /nfs/dbraw/zinc/23/72/02/743237202.db2.gz GONGTTJZGBCFQP-AWEZNQCLSA-N 0 1 359.857 2.821 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000825803908 743329901 /nfs/dbraw/zinc/32/99/01/743329901.db2.gz MFSBLPKQPAATFR-XJKSGUPXSA-N 0 1 370.287 2.812 20 10 FFCDMN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000826083628 743366002 /nfs/dbraw/zinc/36/60/02/743366002.db2.gz IYDQVNUIAJFBPG-XJKSGUPXSA-N 0 1 366.259 2.898 20 10 FFCDMN CO[C@@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000827619020 744949553 /nfs/dbraw/zinc/94/95/53/744949553.db2.gz VNKRVPJOHUBHJF-LBPRGKRZSA-N 0 1 356.271 2.789 20 10 FFCDMN C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834883394 745918598 /nfs/dbraw/zinc/91/85/98/745918598.db2.gz KMCJRCHJZPPDHB-QMMMGPOBSA-N 0 1 355.192 2.647 20 10 FFCDMN C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000834915714 745923928 /nfs/dbraw/zinc/92/39/28/745923928.db2.gz TWEULDLOVSHBRC-SUHUHFCYSA-N 0 1 353.260 2.959 20 10 FFCDMN COc1c([O-])c(CN(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000839186035 746797795 /nfs/dbraw/zinc/79/77/95/746797795.db2.gz HSMLLDYBHJAHSC-UHFFFAOYSA-N 0 1 365.455 2.934 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCNCC3)cc2Cl)C1 ZINC000841895319 747484073 /nfs/dbraw/zinc/48/40/73/747484073.db2.gz AJFYMWAGGYQOCD-CQSZACIVSA-N 0 1 350.894 2.691 20 10 FFCDMN CCN(CC)c1ccc(CNCc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000842672505 747655224 /nfs/dbraw/zinc/65/52/24/747655224.db2.gz UGVOJUVTBLIHQP-UHFFFAOYSA-N 0 1 365.474 2.609 20 10 FFCDMN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(Br)cc1[O-] ZINC000842918754 747720904 /nfs/dbraw/zinc/72/09/04/747720904.db2.gz IOGLATLHVNDFKM-BDJLRTHQSA-N 0 1 358.276 2.983 20 10 FFCDMN COc1ccc(O)c([C@H](C)NCc2ccc(OCC(F)(F)F)nn2)c1 ZINC000846845169 748556964 /nfs/dbraw/zinc/55/69/64/748556964.db2.gz UICQQULFPSNARZ-JTQLQIEISA-N 0 1 357.332 2.983 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000840383258 971202882 /nfs/dbraw/zinc/20/28/82/971202882.db2.gz SWSXDUIFOUSTOE-AWEZNQCLSA-N 0 1 358.490 2.733 20 10 FFCDMN CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275893282 1013150159 /nfs/dbraw/zinc/15/01/59/1013150159.db2.gz FTTIGXCIIFOZLE-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001275893282 1013150162 /nfs/dbraw/zinc/15/01/62/1013150162.db2.gz FTTIGXCIIFOZLE-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CCOCCN1CC[C@]2(CCCN2Cc2ccc(Cl)cc2O)C1=O ZINC001275893282 1013150166 /nfs/dbraw/zinc/15/01/66/1013150166.db2.gz FTTIGXCIIFOZLE-GOSISDBHSA-N 0 1 352.862 2.649 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(C)(C)O)C1 ZINC000683491109 960787503 /nfs/dbraw/zinc/78/75/03/960787503.db2.gz FWTCTQACHAYTAB-OAHLLOKOSA-N 0 1 357.498 2.683 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@@H](O)C2)C1 ZINC000683501863 960794275 /nfs/dbraw/zinc/79/42/75/960794275.db2.gz ZVUUZNHDGXQEHJ-DLBZAZTESA-N 0 1 369.509 2.685 20 10 FFCDMN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957960 1013231611 /nfs/dbraw/zinc/23/16/11/1013231611.db2.gz ZQNPESZLUSLAGJ-HZPDHXFCSA-N 0 1 368.424 2.661 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@@]3(CCN(Cc4cscn4)C3)C2=O)cc1 ZINC001275969823 1013243428 /nfs/dbraw/zinc/24/34/28/1013243428.db2.gz MPXWYQUGOKJLTE-HXUWFJFHSA-N 0 1 370.522 2.834 20 10 FFCDMN Cc1cc(O)c(CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C ZINC000728285571 962301633 /nfs/dbraw/zinc/30/16/33/962301633.db2.gz JGDPTFZAAFJFLR-UHFFFAOYSA-N 0 1 373.541 2.822 20 10 FFCDMN O=C1C[C@]2(CN1C1CCCC1)COCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085695 1013430976 /nfs/dbraw/zinc/43/09/76/1013430976.db2.gz JRPDLGOXJYEARF-FQEVSTJZSA-N 0 1 362.445 2.525 20 10 FFCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085366 1013431854 /nfs/dbraw/zinc/43/18/54/1013431854.db2.gz HASOUHJBFRODAL-MRXNPFEDSA-N 0 1 360.351 2.908 20 10 FFCDMN COc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)c(O)c1OC ZINC000891662058 964759874 /nfs/dbraw/zinc/75/98/74/964759874.db2.gz KMQFLFKMOQKOJO-UHFFFAOYSA-N 0 1 370.449 2.758 20 10 FFCDMN COc1ccc(N2CC[NH+](Cc3[nH]c(C)c(C(=O)[O-])c3C)CC2)c(C)c1 ZINC001140499143 965400103 /nfs/dbraw/zinc/40/01/03/965400103.db2.gz NZDDGKWHWZXSCU-UHFFFAOYSA-N 0 1 357.454 2.969 20 10 FFCDMN Cc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)c(C)n1-c1cccc(C)c1 ZINC000773536932 1013585093 /nfs/dbraw/zinc/58/50/93/1013585093.db2.gz ZMRITPLOQAYXPV-FQEVSTJZSA-N 0 1 366.509 2.522 20 10 FFCDMN CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nnc[nH]3)c2C)cc1 ZINC000177146965 969070719 /nfs/dbraw/zinc/07/07/19/969070719.db2.gz HTNMHZNVSZVTLD-UHFFFAOYSA-N 0 1 367.453 2.926 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000840103717 970435442 /nfs/dbraw/zinc/43/54/42/970435442.db2.gz DYTSRMISAUIDDA-AWEZNQCLSA-N 0 1 372.421 2.605 20 10 FFCDMN Cc1noc(C(F)F)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608660 975913502 /nfs/dbraw/zinc/91/35/02/975913502.db2.gz YGTDKSSGCFZSFS-UHFFFAOYSA-N 0 1 364.396 2.602 20 10 FFCDMN O[C@@H](C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1)C(F)(F)F ZINC000876778320 1014389379 /nfs/dbraw/zinc/38/93/79/1014389379.db2.gz BGQNHEGNSICTJI-SFHVURJKSA-N 0 1 372.431 2.783 20 10 FFCDMN COc1cc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC000876801016 1014396857 /nfs/dbraw/zinc/39/68/57/1014396857.db2.gz TZAOTJZOIDAMAO-UHFFFAOYSA-N 0 1 366.364 2.758 20 10 FFCDMN COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC000876801016 1014396864 /nfs/dbraw/zinc/39/68/64/1014396864.db2.gz TZAOTJZOIDAMAO-UHFFFAOYSA-N 0 1 366.364 2.758 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000026761310 980437785 /nfs/dbraw/zinc/43/77/85/980437785.db2.gz NVLGLUNFQDGVNE-UHFFFAOYSA-N 0 1 371.441 2.623 20 10 FFCDMN Cc1cc(C(=O)NCc2n[nH]c(CO)n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000912942082 984153408 /nfs/dbraw/zinc/15/34/08/984153408.db2.gz ZSBVAWRBIWTWFU-UHFFFAOYSA-N 0 1 367.453 2.758 20 10 FFCDMN Cc1cc(C(=O)NCc2nnc(CO)[nH]2)c(C)n1-c1cccc(C(C)C)c1 ZINC000912942082 984153411 /nfs/dbraw/zinc/15/34/11/984153411.db2.gz ZSBVAWRBIWTWFU-UHFFFAOYSA-N 0 1 367.453 2.758 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C(/C)C3CC3)CC2)cc1 ZINC000055046043 984316143 /nfs/dbraw/zinc/31/61/43/984316143.db2.gz XDBBJNXNBUXKIF-MSUUIHNZSA-N 0 1 357.498 2.680 20 10 FFCDMN COc1ccccc1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000157398118 984545544 /nfs/dbraw/zinc/54/55/44/984545544.db2.gz MDNAMJKJFJURBM-UHFFFAOYSA-N 0 1 367.493 2.854 20 10 FFCDMN C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3CCC3)cc2F)C[C@H](C)O1 ZINC000173919346 986018605 /nfs/dbraw/zinc/01/86/05/986018605.db2.gz XGIRCTUNEXNPSG-GJZGRUSLSA-N 0 1 363.477 2.540 20 10 FFCDMN COc1ccc(F)c(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000878904399 1015276305 /nfs/dbraw/zinc/27/63/05/1015276305.db2.gz AMIAAQZMAUQPDY-UHFFFAOYSA-N 0 1 372.444 2.908 20 10 FFCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000915699478 988864465 /nfs/dbraw/zinc/86/44/65/988864465.db2.gz IJIKAYYCRQBPCJ-UHFFFAOYSA-N 0 1 366.421 2.779 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N[C@@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000879587836 1015598235 /nfs/dbraw/zinc/59/82/35/1015598235.db2.gz GCVYBHBQXGLKQG-INIZCTEOSA-N 0 1 370.419 2.579 20 10 FFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cccc(I)c3O)[C@@H]2C1 ZINC001237781636 992713257 /nfs/dbraw/zinc/71/32/57/992713257.db2.gz 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ZINC001237619036 1043274893 /nfs/dbraw/zinc/27/48/93/1043274893.db2.gz MCTKQYJMDFJVGV-CNDDSTCGSA-N 0 1 352.837 2.921 20 10 FFCDMN Cc1cc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)cc1Br ZINC001237677714 1043305770 /nfs/dbraw/zinc/30/57/70/1043305770.db2.gz CDCPUTYMIIAISF-OAHLLOKOSA-N 0 1 369.303 2.760 20 10 FFCDMN Cc1cc(O)c(CN2CCC[C@H](n3cncn3)C2)cc1Br ZINC001237681938 1043309549 /nfs/dbraw/zinc/30/95/49/1043309549.db2.gz MFNWENPZXXASFP-ZDUSSCGKSA-N 0 1 351.248 2.892 20 10 FFCDMN Cc1cc(O)c(CN2CCC[C@@H](n3ccnn3)C2)cc1Br ZINC001237684101 1043311498 /nfs/dbraw/zinc/31/14/98/1043311498.db2.gz GXIVGNPYMWBWHE-CYBMUJFWSA-N 0 1 351.248 2.892 20 10 FFCDMN CC[N@@H+]1CCN(Cc2cccc(I)c2[O-])[C@H](C)C1 ZINC001237781867 1043355963 /nfs/dbraw/zinc/35/59/63/1043355963.db2.gz ANNBSRMKUSLVEB-LLVKDONJSA-N 0 1 360.239 2.523 20 10 FFCDMN CC[N@H+]1CCN(Cc2cccc(I)c2[O-])[C@H](C)C1 ZINC001237781867 1043355972 /nfs/dbraw/zinc/35/59/72/1043355972.db2.gz ANNBSRMKUSLVEB-LLVKDONJSA-N 0 1 360.239 2.523 20 10 FFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(I)c2[O-])[C@@H](C)C1 ZINC001237784985 1043356200 /nfs/dbraw/zinc/35/62/00/1043356200.db2.gz BTMZMDUXMVMXQK-CMPLNLGQSA-N 0 1 361.223 2.996 20 10 FFCDMN CCOC(=O)c1c2c(nn1C)CN(Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800121 1043365390 /nfs/dbraw/zinc/36/53/90/1043365390.db2.gz HZNAUEFNVNYSOK-UHFFFAOYSA-N 0 1 353.781 2.611 20 10 FFCDMN CCN(CC)c1ccc(CN2CC3(C[C@H]3C(=O)Nc3cn[nH]c3)C2)cc1 ZINC001279742853 1043571318 /nfs/dbraw/zinc/57/13/18/1043571318.db2.gz DPWQPKMQFFUUEG-SFHVURJKSA-N 0 1 353.470 2.717 20 10 FFCDMN CN(C)c1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)cc1 ZINC001279743492 1043572203 /nfs/dbraw/zinc/57/22/03/1043572203.db2.gz LKKXWHUIAXKUCP-QRWLVFNGSA-N 0 1 363.452 2.973 20 10 FFCDMN CN(C)c1ccc(CN2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)cc1 ZINC001279743197 1043572743 /nfs/dbraw/zinc/57/27/43/1043572743.db2.gz IPAWIIWZDSXPCR-FAFZWHIHSA-N 0 1 359.489 2.971 20 10 FFCDMN C=Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001309934470 1043595606 /nfs/dbraw/zinc/59/56/06/1043595606.db2.gz RAOFCMWTMKSGFR-FQEVSTJZSA-N 0 1 373.522 2.977 20 10 FFCDMN C[C@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313212959 1044275314 /nfs/dbraw/zinc/27/53/14/1044275314.db2.gz WGKPGXDVFFLSSD-HNNXBMFYSA-N 0 1 366.456 2.768 20 10 FFCDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccn(C)c(=O)c3)cn2)cc1 ZINC001240984101 1044471381 /nfs/dbraw/zinc/47/13/81/1044471381.db2.gz VWNMRRMGTAWPRO-UHFFFAOYSA-N 0 1 355.419 2.557 20 10 FFCDMN COC1CCN(c2ccc(CN3CCN4CC(F)(F)C[C@H]4C3)cc2)CC1 ZINC001332125977 1048258665 /nfs/dbraw/zinc/25/86/65/1048258665.db2.gz VTJUVEFGHIURRV-SFHVURJKSA-N 0 1 365.468 2.827 20 10 FFCDMN COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc(N)cc3)C2=O)c1 ZINC001345159532 1052297149 /nfs/dbraw/zinc/29/71/49/1052297149.db2.gz JYZGJYOAHCHXQP-IBGZPJMESA-N 0 1 355.438 2.523 20 10 FFCDMN CC(C)[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[N@H+]1C ZINC001351383793 1056235104 /nfs/dbraw/zinc/23/51/04/1056235104.db2.gz QBBOVLBAQRVGSQ-CYBMUJFWSA-N 0 1 372.498 2.574 20 10 FFCDMN CC(C)[C@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CCN1C ZINC001351383793 1056235146 /nfs/dbraw/zinc/23/51/46/1056235146.db2.gz QBBOVLBAQRVGSQ-CYBMUJFWSA-N 0 1 372.498 2.574 20 10 FFCDMN COc1ccc(N2CC[C@@H](N[C@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321266 1056827211 /nfs/dbraw/zinc/82/72/11/1056827211.db2.gz ATTHGJICNDHAMP-NQIIRXRSSA-N 0 1 365.477 2.883 20 10 FFCDMN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001461676819 1061375668 /nfs/dbraw/zinc/37/56/68/1061375668.db2.gz OTCRMLYJAKXHAA-ABAIWWIYSA-N 0 1 361.364 2.986 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)cc2F)CC1 ZINC001530377111 1062554645 /nfs/dbraw/zinc/55/46/45/1062554645.db2.gz OCQQZLNODWDDLX-VDHUWJSZSA-N 0 1 359.489 2.876 20 10 FFCDMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC001440711395 1063342765 /nfs/dbraw/zinc/34/27/65/1063342765.db2.gz AQXUHJRFKZRBNT-UHFFFAOYSA-N 0 1 353.401 2.969 20 10 FFCDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471192450 1064596678 /nfs/dbraw/zinc/59/66/78/1064596678.db2.gz YYAJHCYGPWZXQT-WSTLGDPDSA-N 0 1 356.514 2.530 20 10 FFCDMN CN(Cc1ccccc1O)C(=O)N[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC001576854991 1078281949 /nfs/dbraw/zinc/28/19/49/1078281949.db2.gz VBTFYZWQCFASBK-KRWDZBQOSA-N 0 1 355.373 2.580 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cccc4cnccc43)cc2)CC1 ZINC001583475434 1079220509 /nfs/dbraw/zinc/22/05/09/1079220509.db2.gz GPKPMJOTOODKAY-UHFFFAOYSA-N 0 1 360.461 2.917 20 10 FFCDMN COc1ccc(N2CCN(C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc1F ZINC001559642455 1076179088 /nfs/dbraw/zinc/17/90/88/1076179088.db2.gz PQXPHEQUQPLTQY-YLJYHZDGSA-N 0 1 364.461 2.685 20 10 FFCDMN CCc1cccc(CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1O ZINC001560720830 1076294317 /nfs/dbraw/zinc/29/43/17/1076294317.db2.gz LCIVDFPIFXZIGL-QZTJIDSGSA-N 0 1 373.541 2.577 20 10 FFCDMN CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045755391 507012321 /nfs/dbraw/zinc/01/23/21/507012321.db2.gz XSJSGLZEHPMCLF-UHFFFAOYSA-N 0 1 354.454 2.593 20 10 FFCDMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000158435013 508703579 /nfs/dbraw/zinc/70/35/79/508703579.db2.gz BLMJECWBDMEKSL-KSSFIOAISA-N 0 1 372.469 2.746 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)c3cccc4[nH]cnc43)CC2)cc1 ZINC000159082420 508790782 /nfs/dbraw/zinc/79/07/82/508790782.db2.gz ORHOKGNXRSZYEB-UHFFFAOYSA-N 0 1 350.422 2.924 20 10 FFCDMN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185140482 510707736 /nfs/dbraw/zinc/70/77/36/510707736.db2.gz BNDORGOYOADINF-SUMWQHHRSA-N 0 1 356.919 2.904 20 10 FFCDMN COc1cc(Br)cc(CN2CCS[C@H]3COCC[C@H]32)c1O ZINC000246894881 510733315 /nfs/dbraw/zinc/73/33/15/510733315.db2.gz UEEDQTPQSICGEH-OCCSQVGLSA-N 0 1 374.300 2.870 20 10 FFCDMN COc1c([O-])c(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288782 510915627 /nfs/dbraw/zinc/91/56/27/510915627.db2.gz LNNSRRBHCURCRK-IBGZPJMESA-N 0 1 358.394 2.623 20 10 FFCDMN COc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1O ZINC000360775637 510948272 /nfs/dbraw/zinc/94/82/72/510948272.db2.gz JQWBQMJUTHCLGA-AEFFLSMTSA-N 0 1 373.428 2.785 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277322435 510960847 /nfs/dbraw/zinc/96/08/47/510960847.db2.gz DORBAJCQONBLSW-UONOGXRCSA-N 0 1 368.275 2.581 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000277322435 510960852 /nfs/dbraw/zinc/96/08/52/510960852.db2.gz DORBAJCQONBLSW-UONOGXRCSA-N 0 1 368.275 2.581 20 10 FFCDMN O=S1(=O)CCN(Cc2cc(Cl)c(F)cc2O)Cc2ccccc21 ZINC000294585654 511112750 /nfs/dbraw/zinc/11/27/50/511112750.db2.gz HBWGPLFNGJNFIG-UHFFFAOYSA-N 0 1 355.818 2.974 20 10 FFCDMN Oc1cc(F)c(Cl)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000295328765 511364682 /nfs/dbraw/zinc/36/46/82/511364682.db2.gz LVZQAPKYBJXJPP-UHFFFAOYSA-N 0 1 350.703 2.811 20 10 FFCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2[nH]1 ZINC000283539158 511406268 /nfs/dbraw/zinc/40/62/68/511406268.db2.gz SCZGQJRSIWADBJ-UHFFFAOYSA-N 0 1 350.422 2.638 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3cncs3)cc2F)CC1 ZINC000281822969 511979806 /nfs/dbraw/zinc/97/98/06/511979806.db2.gz XBODGTSSTNSKJZ-GQCTYLIASA-N 0 1 374.485 2.754 20 10 FFCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc2c(cc1O)OCO2 ZINC000285155811 512019708 /nfs/dbraw/zinc/01/97/08/512019708.db2.gz PAFSXYGRHAVTQK-UHFFFAOYSA-N 0 1 353.378 2.845 20 10 FFCDMN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682944 512614348 /nfs/dbraw/zinc/61/43/48/512614348.db2.gz JAUIWYZBNJKYPJ-CPUCHLNUSA-N 0 1 366.889 2.941 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOC1 ZINC000372043751 512690704 /nfs/dbraw/zinc/69/07/04/512690704.db2.gz YQDYKDGZCKUNCA-BBRMVZONSA-N 0 1 352.862 2.553 20 10 FFCDMN O=C(NCc1nnc2n1CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000376344821 512777997 /nfs/dbraw/zinc/77/79/97/512777997.db2.gz VKKXVOBWCZCBFK-UHFFFAOYSA-N 0 1 370.240 2.626 20 10 FFCDMN CO[C@@H](C)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436014371 513737300 /nfs/dbraw/zinc/73/73/00/513737300.db2.gz DLZLDVMVCFWMJY-HOTGVXAUSA-N 0 1 357.498 2.947 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CC=CCC3)ccc21 ZINC000506767879 515978401 /nfs/dbraw/zinc/97/84/01/515978401.db2.gz QKMKYPASKQLNRE-UHFFFAOYSA-N 0 1 355.482 2.896 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nccn2C)C1 ZINC000572462634 518206800 /nfs/dbraw/zinc/20/68/00/518206800.db2.gz WNYYOBAAANXGSB-UHFFFAOYSA-N 0 1 351.454 2.780 20 10 FFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1c(F)cccc1F ZINC000739794144 600315298 /nfs/dbraw/zinc/31/52/98/600315298.db2.gz URTXYMWYNAFSEQ-HNNXBMFYSA-N 0 1 371.767 2.944 20 10 FFCDMN CCC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000829464725 600852315 /nfs/dbraw/zinc/85/23/15/600852315.db2.gz NEZKIMOROWGGSK-UHFFFAOYSA-N 0 1 356.422 2.965 20 10 FFCDMN Cc1cc[nH+]c(N2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000832984452 604281513 /nfs/dbraw/zinc/28/15/13/604281513.db2.gz SMAQMHKGHPCRBO-HWKANZROSA-N 0 1 368.393 2.723 20 10 FFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000833307568 604639580 /nfs/dbraw/zinc/63/95/80/604639580.db2.gz JHHBYJQFKATOEN-DLBZAZTESA-N 0 1 359.447 2.950 20 10 FFCDMN CN(CC[NH2+]Cc1cc(Cl)ccc1[O-])S(=O)(=O)c1cccs1 ZINC000158311850 728886080 /nfs/dbraw/zinc/88/60/80/728886080.db2.gz PNSBQBNHWFPERZ-UHFFFAOYSA-N 0 1 360.888 2.517 20 10 FFCDMN COc1nccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1F ZINC000899260710 735467554 /nfs/dbraw/zinc/46/75/54/735467554.db2.gz PEJVHXCRSWBYRV-FMIVXFBMSA-N 0 1 367.471 2.525 20 10 FFCDMN CCCSCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702561 728511488 /nfs/dbraw/zinc/51/14/88/728511488.db2.gz BYIOKMKJGICFRX-UHFFFAOYSA-N 0 1 353.507 2.727 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179341645 729184120 /nfs/dbraw/zinc/18/41/20/729184120.db2.gz NYNGRYPXZZUJRC-LBPRGKRZSA-N 0 1 367.833 2.692 20 10 FFCDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000856595269 730346581 /nfs/dbraw/zinc/34/65/81/730346581.db2.gz RWPLCBLKLMOICP-QGZVFWFLSA-N 0 1 369.824 2.700 20 10 FFCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)NCc1ccco1 ZINC000858133068 730417416 /nfs/dbraw/zinc/41/74/16/730417416.db2.gz JEJQTJQFDUAEQN-JTQLQIEISA-N 0 1 353.216 2.542 20 10 FFCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NCc1ccco1 ZINC000858133068 730417417 /nfs/dbraw/zinc/41/74/17/730417417.db2.gz JEJQTJQFDUAEQN-JTQLQIEISA-N 0 1 353.216 2.542 20 10 FFCDMN CCO[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241088 730493004 /nfs/dbraw/zinc/49/30/04/730493004.db2.gz GPTPQQFYHZIAMO-SJLPKXTDSA-N 0 1 366.889 2.941 20 10 FFCDMN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000925149595 738483392 /nfs/dbraw/zinc/48/33/92/738483392.db2.gz RYHVGISOQVUCHP-IAGOWNOFSA-N 0 1 363.527 2.894 20 10 FFCDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(O)cccc1Br ZINC000862234274 730679279 /nfs/dbraw/zinc/67/92/79/730679279.db2.gz JZERVYZMKJJOBM-AWEZNQCLSA-N 0 1 355.276 2.988 20 10 FFCDMN COCC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775648791 738108946 /nfs/dbraw/zinc/10/89/46/738108946.db2.gz XIJHDLVQSZFHDD-UHFFFAOYSA-N 0 1 353.054 2.995 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1SC ZINC000780397876 738540021 /nfs/dbraw/zinc/54/00/21/738540021.db2.gz SHCLOFCQFYWWND-UHFFFAOYSA-N 0 1 353.421 2.702 20 10 FFCDMN CCCOc1ccc(CNCCS(=O)(=O)CC(F)(F)F)cc1C ZINC000873136523 731879508 /nfs/dbraw/zinc/87/95/08/731879508.db2.gz CWVNGKHVHWORMG-UHFFFAOYSA-N 0 1 353.406 2.851 20 10 FFCDMN CCN(CC)c1ccc(CNCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000876945461 732301479 /nfs/dbraw/zinc/30/14/79/732301479.db2.gz ZEJONKJZDMZLFX-UHFFFAOYSA-N 0 1 353.513 2.532 20 10 FFCDMN O=S1(=O)C[C@H]2CN(Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]2C1 ZINC000877793007 732433485 /nfs/dbraw/zinc/43/34/85/732433485.db2.gz LSUQHFWMYGTFLZ-IEBWSBKVSA-N 0 1 357.475 2.926 20 10 FFCDMN CC(=O)c1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000881853083 733120791 /nfs/dbraw/zinc/12/07/91/733120791.db2.gz ITVVSADCPJZZRS-UHFFFAOYSA-N 0 1 357.479 2.633 20 10 FFCDMN C[C@H]1COCC[C@H]1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000882197748 733187565 /nfs/dbraw/zinc/18/75/65/733187565.db2.gz MEBGWOKVUUQTFV-QPUJVOFHSA-N 0 1 354.255 2.543 20 10 FFCDMN Cc1cc(NCc2cc(Cl)cc(Br)c2O)n(CCO)n1 ZINC000882961976 733314832 /nfs/dbraw/zinc/31/48/32/733314832.db2.gz CWUWGLKMKAZEEM-UHFFFAOYSA-N 0 1 360.639 2.917 20 10 FFCDMN COCCN1CCC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729980137 734606685 /nfs/dbraw/zinc/60/66/85/734606685.db2.gz MCPPSJSQZXHQIS-MRXNPFEDSA-N 0 1 361.511 2.996 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=S)NC(C)(C)C)cc2F)CC1 ZINC000730155492 734618763 /nfs/dbraw/zinc/61/87/63/734618763.db2.gz CDXLHZOAZKWEQK-UHFFFAOYSA-N 0 1 352.523 2.730 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894432883 734857437 /nfs/dbraw/zinc/85/74/37/734857437.db2.gz VXBWDUCKYIFLPJ-STQMWFEESA-N 0 1 360.223 2.878 20 10 FFCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)S1=O ZINC000894552827 734878758 /nfs/dbraw/zinc/87/87/58/734878758.db2.gz WZFKKRUGEJSSQN-RKDXNWHRSA-N 0 1 350.253 2.635 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173486 735200851 /nfs/dbraw/zinc/20/08/51/735200851.db2.gz UXIFODMSWSOFRW-AWEZNQCLSA-N 0 1 370.287 2.908 20 10 FFCDMN O=C1OCCCN1C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000897589333 735251961 /nfs/dbraw/zinc/25/19/61/735251961.db2.gz KDKWOOGDAWXHDG-UHFFFAOYSA-N 0 1 369.259 2.961 20 10 FFCDMN O=C1OCCCN1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000897589333 735251967 /nfs/dbraw/zinc/25/19/67/735251967.db2.gz KDKWOOGDAWXHDG-UHFFFAOYSA-N 0 1 369.259 2.961 20 10 FFCDMN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825393 735996333 /nfs/dbraw/zinc/99/63/33/735996333.db2.gz MQMDEJIGVQMAGC-OLZOCXBDSA-N 0 1 351.401 2.736 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903534875 736109341 /nfs/dbraw/zinc/10/93/41/736109341.db2.gz UIPIBLOOCXKYAJ-QWHCGFSZSA-N 0 1 350.768 2.960 20 10 FFCDMN COc1cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754742162 736192703 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CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765535208 737130926 /nfs/dbraw/zinc/13/09/26/737130926.db2.gz OCZSKUXNSHTJQM-CYBMUJFWSA-N 0 1 370.291 2.828 20 10 FFCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765982095 737180429 /nfs/dbraw/zinc/18/04/29/737180429.db2.gz ZLHQZJCRGMZJMN-OAHLLOKOSA-N 0 1 362.495 2.928 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(CN)n1 ZINC000911632889 737218800 /nfs/dbraw/zinc/21/88/00/737218800.db2.gz LUWUSMRBFKKODQ-UHFFFAOYSA-N 0 1 358.511 2.793 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000769428850 737529206 /nfs/dbraw/zinc/52/92/06/737529206.db2.gz VEJSENUGNDKWCP-LJQANCHMSA-N 0 1 367.559 2.827 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cccc3c2OCO3)ccc1O ZINC000811704446 741549737 /nfs/dbraw/zinc/54/97/37/741549737.db2.gz GRCSKXDHCWRFII-UHFFFAOYSA-N 0 1 365.407 2.847 20 10 FFCDMN CN1CCN(c2ccc([C@H]3Nc4ccc(Cl)cc4C(=O)N3)cc2)CC1 ZINC000771518425 737732150 /nfs/dbraw/zinc/73/21/50/737732150.db2.gz ROBKWEALMLJMIK-SFHVURJKSA-N 0 1 356.857 2.946 20 10 FFCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c(O)cccc1F ZINC000773614079 737924062 /nfs/dbraw/zinc/92/40/62/737924062.db2.gz YXBDTOYLEFWKPH-UHFFFAOYSA-N 0 1 367.760 2.706 20 10 FFCDMN Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1O ZINC000776748408 738228948 /nfs/dbraw/zinc/22/89/48/738228948.db2.gz GQJCPTUKNGUQOW-UHFFFAOYSA-N 0 1 350.371 2.525 20 10 FFCDMN COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC000787420001 739135091 /nfs/dbraw/zinc/13/50/91/739135091.db2.gz BSVRYZZIDZJEOV-JOYOIKCWSA-N 0 1 358.232 2.547 20 10 FFCDMN O=C(CN(Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCO1)N1CCCC1 ZINC000792166088 739645470 /nfs/dbraw/zinc/64/54/70/739645470.db2.gz OYJXXHADUDOCFC-ZDUSSCGKSA-N 0 1 370.852 2.788 20 10 FFCDMN CCS(=O)(=O)c1ccc(CNCc2cc(OC)c(OC)cc2O)s1 ZINC000793203842 739752312 /nfs/dbraw/zinc/75/23/12/739752312.db2.gz JCHDXUDOQAHMDY-UHFFFAOYSA-N 0 1 371.480 2.554 20 10 FFCDMN CCOC(=O)C1(COC)CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000793365918 739774237 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FFCDMN Cc1cncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807513318 741138197 /nfs/dbraw/zinc/13/81/97/741138197.db2.gz KSMNYULBTGVUSW-UHFFFAOYSA-N 0 1 354.193 2.657 20 10 FFCDMN Cc1nn2cccnc2c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834769 741162342 /nfs/dbraw/zinc/16/23/42/741162342.db2.gz PXCOKAPKFQRHGP-UHFFFAOYSA-N 0 1 351.193 2.980 20 10 FFCDMN Cc1nnc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn12 ZINC000807837645 741162869 /nfs/dbraw/zinc/16/28/69/741162869.db2.gz ZDLNJPYFTQKPSW-UHFFFAOYSA-N 0 1 351.193 2.980 20 10 FFCDMN Cc1ccn2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2n1 ZINC000807836876 741162874 /nfs/dbraw/zinc/16/28/74/741162874.db2.gz SHNKVOWGYVXCGS-UHFFFAOYSA-N 0 1 351.193 2.980 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2cncn2)nc1 ZINC000807835311 741162913 /nfs/dbraw/zinc/16/29/13/741162913.db2.gz FKBQNMDNAHBYBT-UHFFFAOYSA-N 0 1 364.192 2.605 20 10 FFCDMN C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835796 741162970 /nfs/dbraw/zinc/16/29/70/741162970.db2.gz KLZYUEVLAQCRDI-QMMMGPOBSA-N 0 1 357.193 2.727 20 10 FFCDMN Nc1nc(C2CC2)ncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840193 741163376 /nfs/dbraw/zinc/16/33/76/741163376.db2.gz UBKLTDCPOFARCS-UHFFFAOYSA-N 0 1 353.209 2.879 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210073 741398227 /nfs/dbraw/zinc/39/82/27/741398227.db2.gz MUMUTJMPATVHLD-GWCFXTLKSA-N 0 1 351.390 2.886 20 10 FFCDMN COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2[O-])n(C)c1C ZINC000812765997 741650468 /nfs/dbraw/zinc/65/04/68/741650468.db2.gz CFYAEUGCHXJHIU-UHFFFAOYSA-N 0 1 367.243 2.878 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817881473 742220617 /nfs/dbraw/zinc/22/06/17/742220617.db2.gz UONFTXXCQGCPKA-UWVGGRQHSA-N 0 1 358.232 2.848 20 10 FFCDMN O[C@H](CNCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000818964331 742316035 /nfs/dbraw/zinc/31/60/35/742316035.db2.gz RTQKBUQCGMOLTH-CYBMUJFWSA-N 0 1 372.309 2.555 20 10 FFCDMN O=S(=O)(CCNCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000819096366 742336960 /nfs/dbraw/zinc/33/69/60/742336960.db2.gz NUCXSAALYYAWIL-UHFFFAOYSA-N 0 1 360.454 2.765 20 10 FFCDMN Cc1cc(C(=O)Nc2n[nH]c3ncnn23)c(C)n1-c1ccc(Cl)cc1 ZINC000819981085 742451862 /nfs/dbraw/zinc/45/18/62/742451862.db2.gz LZCUASZDXLQPND-UHFFFAOYSA-N 0 1 355.789 2.766 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000824777171 743147004 /nfs/dbraw/zinc/14/70/04/743147004.db2.gz LNHMIDWYATZTMQ-UHFFFAOYSA-N 0 1 372.181 2.528 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000824777171 743147008 /nfs/dbraw/zinc/14/70/08/743147008.db2.gz LNHMIDWYATZTMQ-UHFFFAOYSA-N 0 1 372.181 2.528 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824827550 743156906 /nfs/dbraw/zinc/15/69/06/743156906.db2.gz FWPZKDRDAKHBOP-JQWIXIFHSA-N 0 1 362.779 2.888 20 10 FFCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824827550 743156908 /nfs/dbraw/zinc/15/69/08/743156908.db2.gz FWPZKDRDAKHBOP-JQWIXIFHSA-N 0 1 362.779 2.888 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825550050 743292043 /nfs/dbraw/zinc/29/20/43/743292043.db2.gz WJXFEWUIGMMPDC-KGLIPLIRSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825550050 743292050 /nfs/dbraw/zinc/29/20/50/743292050.db2.gz WJXFEWUIGMMPDC-KGLIPLIRSA-N 0 1 372.259 2.697 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(Br)cc1O ZINC000825550050 743292054 /nfs/dbraw/zinc/29/20/54/743292054.db2.gz WJXFEWUIGMMPDC-KGLIPLIRSA-N 0 1 372.259 2.697 20 10 FFCDMN CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2[O-])C1(C)C ZINC000825629495 743303429 /nfs/dbraw/zinc/30/34/29/743303429.db2.gz XWGLZIOHKQUZFV-GDBMZVCRSA-N 0 1 358.276 2.810 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000825779279 743326284 /nfs/dbraw/zinc/32/62/84/743326284.db2.gz IZPHJCBVDAPNTM-CQSZACIVSA-N 0 1 369.303 2.699 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000825779279 743326291 /nfs/dbraw/zinc/32/62/91/743326291.db2.gz 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COC(=O)c1c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c2cc(F)ccc2n1C ZINC001574082003 1077891815 /nfs/dbraw/zinc/89/18/15/1077891815.db2.gz SZCNEVXJANLKHE-NWDGAFQWSA-N 0 1 362.401 2.647 20 10 FFCDMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccccc2O)cc1OC ZINC000111236052 508080968 /nfs/dbraw/zinc/08/09/68/508080968.db2.gz IDHDWZNFWROYCO-HNNXBMFYSA-N 0 1 372.465 2.888 20 10 FFCDMN O=C1[C@H](N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233017 508081088 /nfs/dbraw/zinc/08/10/88/508081088.db2.gz RUNUBPYZAVVBQB-HUUCEWRRSA-N 0 1 372.387 2.536 20 10 FFCDMN COc1cccc(CN2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000093335879 508139827 /nfs/dbraw/zinc/13/98/27/508139827.db2.gz GUHCVFZWHHCNFK-UHFFFAOYSA-N 0 1 356.451 2.728 20 10 FFCDMN CCN(Cc1cc(=O)c(O)co1)Cc1cc(Br)ccc1O ZINC000076118528 508160855 /nfs/dbraw/zinc/16/08/55/508160855.db2.gz WRXJEXNHQJGSCX-UHFFFAOYSA-N 0 1 354.200 2.836 20 10 FFCDMN O=C(Cc1cccnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134260727 508513887 /nfs/dbraw/zinc/51/38/87/508513887.db2.gz 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ZINC000182727828 509396295 /nfs/dbraw/zinc/39/62/95/509396295.db2.gz WDNWAADSJYSFJX-MRXNPFEDSA-N 0 1 365.493 2.647 20 10 FFCDMN O=C(c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)N1CCOCC1 ZINC000264963849 509801120 /nfs/dbraw/zinc/80/11/20/509801120.db2.gz PBATZAOULOOOGT-UHFFFAOYSA-N 0 1 360.841 2.808 20 10 FFCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@]2(CCOC2)C1 ZINC000187548922 510326617 /nfs/dbraw/zinc/32/66/17/510326617.db2.gz RXTYQXHFPQEYCU-OAQYLSRUSA-N 0 1 355.434 2.963 20 10 FFCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC(C)(C)C ZINC000178097942 510431073 /nfs/dbraw/zinc/43/10/73/510431073.db2.gz MVILPXLQUYKYQO-ZIAGYGMSSA-N 0 1 351.466 2.616 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676746 510728634 /nfs/dbraw/zinc/72/86/34/510728634.db2.gz VLYSGVXVVDMYMC-ZDUSSCGKSA-N 0 1 358.417 2.651 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000175676746 510728637 /nfs/dbraw/zinc/72/86/37/510728637.db2.gz VLYSGVXVVDMYMC-ZDUSSCGKSA-N 0 1 358.417 2.651 20 10 FFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000175676746 510728645 /nfs/dbraw/zinc/72/86/45/510728645.db2.gz VLYSGVXVVDMYMC-ZDUSSCGKSA-N 0 1 358.417 2.651 20 10 FFCDMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276551388 510943051 /nfs/dbraw/zinc/94/30/51/510943051.db2.gz HSSLGEAAFJTZMI-OAHLLOKOSA-N 0 1 358.413 2.831 20 10 FFCDMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276551388 510943054 /nfs/dbraw/zinc/94/30/54/510943054.db2.gz HSSLGEAAFJTZMI-OAHLLOKOSA-N 0 1 358.413 2.831 20 10 FFCDMN CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)CC1 ZINC000276596733 510943109 /nfs/dbraw/zinc/94/31/09/510943109.db2.gz NTTYIYYNTRRNKZ-AWEZNQCLSA-N 0 1 350.434 2.821 20 10 FFCDMN CCc1nc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000297461287 510953902 /nfs/dbraw/zinc/95/39/02/510953902.db2.gz CJQJIRRFKWHJRA-UHFFFAOYSA-N 0 1 356.474 2.699 20 10 FFCDMN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCc2cn[nH]c21 ZINC000277246681 510957309 /nfs/dbraw/zinc/95/73/09/510957309.db2.gz HQZOHDJLVMDFSU-ZDUSSCGKSA-N 0 1 360.801 2.611 20 10 FFCDMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000287622594 511054578 /nfs/dbraw/zinc/05/45/78/511054578.db2.gz IMZUZZMJMXMNPB-CQSZACIVSA-N 0 1 356.474 2.910 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271094205 511080574 /nfs/dbraw/zinc/08/05/74/511080574.db2.gz MCIDNQNACIHXGW-AWEZNQCLSA-N 0 1 366.458 2.899 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000289780370 511114784 /nfs/dbraw/zinc/11/47/84/511114784.db2.gz ROOPFKYHARKYTP-AWEZNQCLSA-N 0 1 364.320 2.588 20 10 FFCDMN C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])NC(=O)NC1=O ZINC000289953990 511121443 /nfs/dbraw/zinc/12/14/43/511121443.db2.gz YWRUTGYCSKUVCN-ZBEGNZNMSA-N 0 1 372.252 2.652 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2F)CC1 ZINC000290330625 511133998 /nfs/dbraw/zinc/13/39/98/511133998.db2.gz WKYPUBHGDPQIMH-UHFFFAOYSA-N 0 1 351.441 2.724 20 10 FFCDMN COc1cccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000294683389 511141505 /nfs/dbraw/zinc/14/15/05/511141505.db2.gz ACJULFWDJYPADL-QGZVFWFLSA-N 0 1 357.454 2.531 20 10 FFCDMN CC(=O)NCCN(Cc1cccc(Cl)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272823298 511508320 /nfs/dbraw/zinc/50/83/20/511508320.db2.gz GWBQBWBWOZBIMB-LBPRGKRZSA-N 0 1 370.877 2.714 20 10 FFCDMN CCOc1cccc(CNCc2ccc(S(=O)(=O)CC)s2)c1O ZINC000280624647 511537664 /nfs/dbraw/zinc/53/76/64/511537664.db2.gz PSZOIMOEVMIEGA-UHFFFAOYSA-N 0 1 355.481 2.936 20 10 FFCDMN Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172184 511689527 /nfs/dbraw/zinc/68/95/27/511689527.db2.gz GQVPYPTTWJMFMT-OAHLLOKOSA-N 0 1 372.860 2.868 20 10 FFCDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n2ncnc2n1 ZINC000301172184 511689533 /nfs/dbraw/zinc/68/95/33/511689533.db2.gz GQVPYPTTWJMFMT-OAHLLOKOSA-N 0 1 372.860 2.868 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](CF)C2)C1 ZINC000412552102 513158156 /nfs/dbraw/zinc/15/81/56/513158156.db2.gz MKDDCMUDGXXTRV-MRXNPFEDSA-N 0 1 373.472 2.605 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ncon2)C1 ZINC000515762297 517467554 /nfs/dbraw/zinc/46/75/54/517467554.db2.gz BZHWRCFJAXFINA-CQSZACIVSA-N 0 1 367.453 2.668 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)Nc3[nH]cnc3C(=O)OC)ccc21 ZINC000515864920 517499071 /nfs/dbraw/zinc/49/90/71/517499071.db2.gz QZQBXCBWFGPPPC-UHFFFAOYSA-N 0 1 370.409 2.667 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000515975442 517525584 /nfs/dbraw/zinc/52/55/84/517525584.db2.gz CRVZRYCMBOHUGS-WIYYLYMNSA-N 0 1 369.509 2.828 20 10 FFCDMN Cc1cc(C(=O)C[NH+]2CCC(CO)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738319787 600086160 /nfs/dbraw/zinc/08/61/60/600086160.db2.gz PIFRLBKKVBQJRG-UHFFFAOYSA-N 0 1 370.449 2.679 20 10 FFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000739780114 603397447 /nfs/dbraw/zinc/39/74/47/603397447.db2.gz MXWQCESGOSIMDZ-SJKOYZFVSA-N 0 1 372.421 2.810 20 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ZINC000898004281 735302611 /nfs/dbraw/zinc/30/26/11/735302611.db2.gz ATSXMIFLWINWPY-UHFFFAOYSA-N 0 1 356.209 2.808 20 10 FFCDMN CC[N@H+](CCn1ccccc1=O)Cc1cc(Br)ccc1[O-] ZINC000743871250 735323730 /nfs/dbraw/zinc/32/37/30/735323730.db2.gz YOPCOLMJLRAWFW-UHFFFAOYSA-N 0 1 351.244 2.839 20 10 FFCDMN CC[N@@H+](CCn1ccccc1=O)Cc1cc(Br)ccc1[O-] ZINC000743871250 735323734 /nfs/dbraw/zinc/32/37/34/735323734.db2.gz YOPCOLMJLRAWFW-UHFFFAOYSA-N 0 1 351.244 2.839 20 10 FFCDMN CN(C)c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000070823969 728205934 /nfs/dbraw/zinc/20/59/34/728205934.db2.gz AGWVTMGMJCDFQB-UHFFFAOYSA-N 0 1 352.887 2.970 20 10 FFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CN1CCOCC1 ZINC000091588028 728460264 /nfs/dbraw/zinc/46/02/64/728460264.db2.gz KFLFLDYEJGRIAO-ZDUSSCGKSA-N 0 1 357.292 2.697 20 10 FFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CN1CCOCC1 ZINC000091588028 728460266 /nfs/dbraw/zinc/46/02/66/728460266.db2.gz KFLFLDYEJGRIAO-ZDUSSCGKSA-N 0 1 357.292 2.697 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCO1 ZINC000093460517 728476323 /nfs/dbraw/zinc/47/63/23/728476323.db2.gz JBXUNAGWKQDPID-CQSZACIVSA-N 0 1 372.259 2.699 20 10 FFCDMN COC(=O)CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCO1 ZINC000093460517 728476324 /nfs/dbraw/zinc/47/63/24/728476324.db2.gz JBXUNAGWKQDPID-CQSZACIVSA-N 0 1 372.259 2.699 20 10 FFCDMN Cc1nsc(N2CCN(Cc3cccc(Br)c3O)CC2)n1 ZINC000093663527 728477007 /nfs/dbraw/zinc/47/70/07/728477007.db2.gz SPPCSLGGNZFPSR-UHFFFAOYSA-N 0 1 369.288 2.637 20 10 FFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000119466252 728594804 /nfs/dbraw/zinc/59/48/04/728594804.db2.gz TZARLVDEGBKWIS-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000119466252 728594806 /nfs/dbraw/zinc/59/48/06/728594806.db2.gz TZARLVDEGBKWIS-LLVKDONJSA-N 0 1 354.859 2.886 20 10 FFCDMN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129887228 728713858 /nfs/dbraw/zinc/71/38/58/728713858.db2.gz FOZHEBNVOADKAT-OAHLLOKOSA-N 0 1 361.511 2.854 20 10 FFCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cncnc1 ZINC000171129481 728998098 /nfs/dbraw/zinc/99/80/98/728998098.db2.gz GFHSIKQSSDCRRB-UHFFFAOYSA-N 0 1 352.360 2.622 20 10 FFCDMN CCCN(Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179638661 729191250 /nfs/dbraw/zinc/19/12/50/729191250.db2.gz DRJLXQORVOQSQH-ZDUSSCGKSA-N 0 1 362.289 2.554 20 10 FFCDMN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000180471238 729215162 /nfs/dbraw/zinc/21/51/62/729215162.db2.gz IFHWRVKSZVTCRD-OAHLLOKOSA-N 0 1 371.522 2.794 20 10 FFCDMN CSc1nn(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c(=O)[nH]1 ZINC000188175047 729385133 /nfs/dbraw/zinc/38/51/33/729385133.db2.gz RSIUSYYFQGYUHR-UHFFFAOYSA-N 0 1 360.414 2.723 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000858164959 730418349 /nfs/dbraw/zinc/41/83/49/730418349.db2.gz JOHGYSUBRNEZOP-BBRMVZONSA-N 0 1 350.212 2.739 20 10 FFCDMN CCO[C@@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000859161299 730443838 /nfs/dbraw/zinc/44/38/38/730443838.db2.gz NUMBYJFARNOSRA-ZDUSSCGKSA-N 0 1 368.282 2.934 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1[O-] ZINC000860156294 730482370 /nfs/dbraw/zinc/48/23/70/730482370.db2.gz JSUOPLJGLLXNOL-HIFRSBDPSA-N 0 1 351.790 2.559 20 10 FFCDMN COCCc1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000865418731 730952589 /nfs/dbraw/zinc/95/25/89/730952589.db2.gz OUXQRCWZJXHRKD-UHFFFAOYSA-N 0 1 365.474 2.598 20 10 FFCDMN CCN1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC000925980378 738552971 /nfs/dbraw/zinc/55/29/71/738552971.db2.gz FIGCDPMBUWPIJG-GFCCVEGCSA-N 0 1 360.241 2.509 20 10 FFCDMN CCn1ncnc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071144 732321389 /nfs/dbraw/zinc/32/13/89/732321389.db2.gz FNNGCRRMKXKUFT-CYBMUJFWSA-N 0 1 351.401 2.658 20 10 FFCDMN C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350287 738620446 /nfs/dbraw/zinc/62/04/46/738620446.db2.gz ILOARSHMRIJTJC-VQIMIIECSA-N 0 1 366.889 2.943 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCCS3)cc2)CC1 ZINC000883802332 733441719 /nfs/dbraw/zinc/44/17/19/733441719.db2.gz YKBDGTQLBPWXFP-SFHVURJKSA-N 0 1 362.543 2.523 20 10 FFCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Cl)cn3)cc2)C1 ZINC000885936003 733731254 /nfs/dbraw/zinc/73/12/54/733731254.db2.gz YSEZAMRTGYYCMI-OAHLLOKOSA-N 0 1 358.873 2.727 20 10 FFCDMN O=C(c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1)N1CCOCC1 ZINC000725848015 734395864 /nfs/dbraw/zinc/39/58/64/734395864.db2.gz MXLQMPXGMJPQPY-UHFFFAOYSA-N 0 1 360.841 2.808 20 10 FFCDMN CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000892493532 734565403 /nfs/dbraw/zinc/56/54/03/734565403.db2.gz LTCZHKYZAQDXPK-GFCCVEGCSA-N 0 1 370.291 2.732 20 10 FFCDMN O=C(C[NH2+]Cc1cc(Br)ccc1[O-])N1CCc2ccccc21 ZINC000729685071 734590274 /nfs/dbraw/zinc/59/02/74/734590274.db2.gz QZHOZSXRFJVZFQ-UHFFFAOYSA-N 0 1 361.239 2.834 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000894448117 734859807 /nfs/dbraw/zinc/85/98/07/734859807.db2.gz CBOPZSYMMUEQDQ-UHFFFAOYSA-N 0 1 374.250 2.923 20 10 FFCDMN O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])CC[C@H]2N1 ZINC000895258125 734982432 /nfs/dbraw/zinc/98/24/32/734982432.db2.gz BPENHWJONXLBNX-NOZJJQNGSA-N 0 1 373.678 2.909 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000895269266 734984529 /nfs/dbraw/zinc/98/45/29/734984529.db2.gz CUCMKUNVZQSLDB-UHFFFAOYSA-N 0 1 362.239 2.657 20 10 FFCDMN C[C@@H]1CN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000895568430 735024845 /nfs/dbraw/zinc/02/48/45/735024845.db2.gz UWOLDAXEXHEIST-TXEJJXNPSA-N 0 1 364.467 2.542 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895847372 735063537 /nfs/dbraw/zinc/06/35/37/735063537.db2.gz URIZJTWGBGBRDV-LBPRGKRZSA-N 0 1 354.166 2.901 20 10 FFCDMN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825394 735996417 /nfs/dbraw/zinc/99/64/17/735996417.db2.gz MQMDEJIGVQMAGC-QWHCGFSZSA-N 0 1 351.401 2.736 20 10 FFCDMN O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccccc1F ZINC000753589578 736080286 /nfs/dbraw/zinc/08/02/86/736080286.db2.gz JZGADLKLYIOZCR-OAHLLOKOSA-N 0 1 352.768 2.997 20 10 FFCDMN CCn1cc([C@H]2C[S@](=O)CCN2Cc2cccc(Cl)c2O)cn1 ZINC000754154443 736131356 /nfs/dbraw/zinc/13/13/56/736131356.db2.gz OSLYPKFRUIXRKY-IQMFZBJNSA-N 0 1 353.875 2.568 20 10 FFCDMN O=S1(=O)C[C@H](NCc2cccc(Br)c2O)c2ccccc21 ZINC000754892458 736213342 /nfs/dbraw/zinc/21/33/42/736213342.db2.gz NNWUNOJSYNLSMP-ZDUSSCGKSA-N 0 1 368.252 2.773 20 10 FFCDMN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552727 736342039 /nfs/dbraw/zinc/34/20/39/736342039.db2.gz HBWZVDAYQBENFY-NEPJUHHUSA-N 0 1 374.298 2.580 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(Br)cc1[O-] ZINC000756732059 736356200 /nfs/dbraw/zinc/35/62/00/736356200.db2.gz LNMHXAWQGQHAPO-JCRCQARHSA-N 0 1 353.260 2.815 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000756733106 736356831 /nfs/dbraw/zinc/35/68/31/736356831.db2.gz OQNLYBUUBUJVEX-IQOUGMIPSA-N 0 1 353.260 2.815 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000757659238 736417180 /nfs/dbraw/zinc/41/71/80/736417180.db2.gz YSDCBOJIKPEKDF-WFASDCNBSA-N 0 1 362.861 2.621 20 10 FFCDMN C[C@@H](NC1COC(C)(C)OC1)c1ccc(N2CCOCC2)cc1Cl ZINC000757698797 736420272 /nfs/dbraw/zinc/42/02/72/736420272.db2.gz RRZZJCIZTMMXQI-CYBMUJFWSA-N 0 1 354.878 2.979 20 10 FFCDMN CN1CCN(c2ccc(CNc3nnc(C(F)(F)F)s3)cc2)CC1 ZINC000758457392 736490795 /nfs/dbraw/zinc/49/07/95/736490795.db2.gz OGIRUJVVPTXRSI-UHFFFAOYSA-N 0 1 357.405 2.921 20 10 FFCDMN O=C(NCCCSc1nccs1)N1CCC(c2cnc[nH]2)CC1 ZINC000759591041 736579254 /nfs/dbraw/zinc/57/92/54/736579254.db2.gz TUDFBUUTMOGUOX-UHFFFAOYSA-N 0 1 351.501 2.938 20 10 FFCDMN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1F ZINC000765980245 737180021 /nfs/dbraw/zinc/18/00/21/737180021.db2.gz XPOVLWKLSSXUMQ-OAHLLOKOSA-N 0 1 362.470 2.911 20 10 FFCDMN CCc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765982094 737180471 /nfs/dbraw/zinc/18/04/71/737180471.db2.gz ZLHQZJCRGMZJMN-HNNXBMFYSA-N 0 1 362.495 2.928 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000766047376 737186452 /nfs/dbraw/zinc/18/64/52/737186452.db2.gz GOBUKDZOSLSSKT-UHFFFAOYSA-N 0 1 350.352 2.612 20 10 FFCDMN O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000768781172 737457461 /nfs/dbraw/zinc/45/74/61/737457461.db2.gz NOTBXVDKZOZBGZ-UHFFFAOYSA-N 0 1 350.768 2.936 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@H]2CS(=O)(=O)NC)cc1 ZINC000769531687 737539677 /nfs/dbraw/zinc/53/96/77/737539677.db2.gz FJTZALIZBZQNNP-IBGZPJMESA-N 0 1 367.559 2.827 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3(F)CCCC3)cc2F)CC1 ZINC000772037236 737778508 /nfs/dbraw/zinc/77/85/08/737778508.db2.gz ONDUPSICVGSONU-UHFFFAOYSA-N 0 1 351.441 2.866 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H](O)CSCC=C(C)C)CC2)cc1 ZINC000773566924 737920607 /nfs/dbraw/zinc/92/06/07/737920607.db2.gz VOZHDHFRQAZICY-GOSISDBHSA-N 0 1 350.528 2.878 20 10 FFCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Br)c1O ZINC000773767405 737933725 /nfs/dbraw/zinc/93/37/25/737933725.db2.gz KWTRFHACGCOWAE-VIFPVBQESA-N 0 1 366.211 2.927 20 10 FFCDMN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000776870500 738240180 /nfs/dbraw/zinc/24/01/80/738240180.db2.gz VHPBQPFWBFPFON-DIOULYMOSA-N 0 1 374.275 2.626 20 10 FFCDMN CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007352 738252797 /nfs/dbraw/zinc/25/27/97/738252797.db2.gz LWPSGXUKSKEQFC-ABAIWWIYSA-N 0 1 350.356 2.890 20 10 FFCDMN COC(=O)[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC000787420000 739135164 /nfs/dbraw/zinc/13/51/64/739135164.db2.gz BSVRYZZIDZJEOV-CABZTGNLSA-N 0 1 358.232 2.547 20 10 FFCDMN COC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccs1 ZINC000789572818 739369301 /nfs/dbraw/zinc/36/93/01/739369301.db2.gz REFKENFXMZJXFM-GOSISDBHSA-N 0 1 359.495 2.504 20 10 FFCDMN CO[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237979 739654104 /nfs/dbraw/zinc/65/41/04/739654104.db2.gz LXYDUZUZRDIPPV-NVXWUHKLSA-N 0 1 352.862 2.551 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C2CC2)C1=O ZINC000935991981 740041785 /nfs/dbraw/zinc/04/17/85/740041785.db2.gz KAQIKEVAHFNTFE-GFCCVEGCSA-N 0 1 357.237 2.716 20 10 FFCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031274 740094069 /nfs/dbraw/zinc/09/40/69/740094069.db2.gz IXNKGPJRQKQZLI-LRDDRELGSA-N 0 1 356.260 2.925 20 10 FFCDMN CCN(CC1CC1)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135231 740943628 /nfs/dbraw/zinc/94/36/28/740943628.db2.gz QUTYLZZTXSBXAL-UHFFFAOYSA-N 0 1 353.271 2.765 20 10 FFCDMN CC(C)CS(=O)(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837751 741162797 /nfs/dbraw/zinc/16/27/97/741162797.db2.gz BKSWMBDXGWEJBR-UHFFFAOYSA-N 0 1 368.282 2.776 20 10 FFCDMN O=C(CCCn1ccccc1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835267 741162816 /nfs/dbraw/zinc/16/28/16/741162816.db2.gz CHFMMPQVJOYMSE-UHFFFAOYSA-N 0 1 355.221 2.957 20 10 FFCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)n1nnnc1C(C)(C)C ZINC000807838664 741162940 /nfs/dbraw/zinc/16/29/40/741162940.db2.gz NGPRYJKGAVAFTJ-QMMMGPOBSA-N 0 1 372.256 2.860 20 10 FFCDMN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682855 741748454 /nfs/dbraw/zinc/74/84/54/741748454.db2.gz LVENFSQULDPJLF-CYBMUJFWSA-N 0 1 359.253 2.962 20 10 FFCDMN O=C(CNC(=O)NC1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683810 741748818 /nfs/dbraw/zinc/74/88/18/741748818.db2.gz DDBIETGGDKTMEO-UHFFFAOYSA-N 0 1 374.268 2.947 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816537964 742040055 /nfs/dbraw/zinc/04/00/55/742040055.db2.gz ZQQDEHCNQYSRKW-UHFFFAOYSA-N 0 1 356.447 2.743 20 10 FFCDMN CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816570710 742043245 /nfs/dbraw/zinc/04/32/45/742043245.db2.gz FHFAKKXPLWMTSU-UHFFFAOYSA-N 0 1 362.829 2.504 20 10 FFCDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816591837 742045531 /nfs/dbraw/zinc/04/55/31/742045531.db2.gz PINDEFNIHGBUMN-MYYSRTQBSA-N 0 1 371.865 2.707 20 10 FFCDMN Cc1c(Cl)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)nn1C ZINC000817707823 742200097 /nfs/dbraw/zinc/20/00/97/742200097.db2.gz OTLKFOQRBYVPPF-XYOKQWHBSA-N 0 1 370.931 2.677 20 10 FFCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631657 742287129 /nfs/dbraw/zinc/28/71/29/742287129.db2.gz MGKSQKYITPCVAD-ZANVPECISA-N 0 1 358.232 2.848 20 10 FFCDMN Cc1cccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1F ZINC000823850883 742990200 /nfs/dbraw/zinc/99/02/00/742990200.db2.gz FHSVWUGABNVIFY-UHFFFAOYSA-N 0 1 362.470 2.659 20 10 FFCDMN CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824779527 743147096 /nfs/dbraw/zinc/14/70/96/743147096.db2.gz WYYUNDRWAJDIJL-UHFFFAOYSA-N 0 1 360.907 2.600 20 10 FFCDMN O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O ZINC000825067714 743204997 /nfs/dbraw/zinc/20/49/97/743204997.db2.gz DUWXCABUFDCUFE-LBPRGKRZSA-N 0 1 350.768 2.921 20 10 FFCDMN Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825137571 743216403 /nfs/dbraw/zinc/21/64/03/743216403.db2.gz 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[O-]c1c(Br)cccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515409 743592170 /nfs/dbraw/zinc/59/21/70/743592170.db2.gz FWOLBNGJEMUNKQ-UHFFFAOYSA-N 0 1 369.303 2.699 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(Br)cc1[O-] ZINC000834850963 745913981 /nfs/dbraw/zinc/91/39/81/745913981.db2.gz RHUHWVIEJGWHGE-TZMCWYRMSA-N 0 1 357.292 2.652 20 10 FFCDMN COc1cc(Br)cc(C[N@@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076287 745945675 /nfs/dbraw/zinc/94/56/75/745945675.db2.gz MSXYNHIDKGHHLQ-UHFFFAOYSA-N 0 1 359.264 2.621 20 10 FFCDMN COc1cc(Br)cc(C[N@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076287 745945679 /nfs/dbraw/zinc/94/56/79/745945679.db2.gz MSXYNHIDKGHHLQ-UHFFFAOYSA-N 0 1 359.264 2.621 20 10 FFCDMN CC[C@@H](N)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841071382 747263627 /nfs/dbraw/zinc/26/36/27/747263627.db2.gz FISAFTPVESJSCJ-SECBINFHSA-N 0 1 352.070 2.744 20 10 FFCDMN COC/C(C)=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000845832354 748334093 /nfs/dbraw/zinc/33/40/93/748334093.db2.gz CEBMRQFNHKQWDF-RQPMMQJISA-N 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NC(=O)N=Nc1ccc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC001447490402 1058655946 /nfs/dbraw/zinc/65/59/46/1058655946.db2.gz XZHXIHVMBQZDFY-UHFFFAOYSA-N 0 1 363.381 2.607 20 10 FFCDMN CCN1CCN(c2ccc(CNc3ncnc(C)c3OC)cc2F)CC1 ZINC000848664613 1060417711 /nfs/dbraw/zinc/41/77/11/1060417711.db2.gz UNHAURHXBZRVRI-UHFFFAOYSA-N 0 1 359.449 2.687 20 10 FFCDMN CN(C[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)CC(F)(F)F ZINC001459732985 1060802586 /nfs/dbraw/zinc/80/25/86/1060802586.db2.gz CPHNLSVBQBZUBY-HNNXBMFYSA-N 0 1 372.387 2.842 20 10 FFCDMN CN(C[C@H](O)CN(Cc1ccco1)Cc1ccccc1O)CC(F)(F)F ZINC001459732985 1060802609 /nfs/dbraw/zinc/80/26/09/1060802609.db2.gz CPHNLSVBQBZUBY-HNNXBMFYSA-N 0 1 372.387 2.842 20 10 FFCDMN CCOc1ccc(N2CCN(C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc1 ZINC001459794460 1060821111 /nfs/dbraw/zinc/82/11/11/1060821111.db2.gz DFFZMQCPMJMDAS-NHCUHLMSSA-N 0 1 360.498 2.936 20 10 FFCDMN COC(=O)c1ccc2c(c1)nc(CN[C@@H](C)c1ccccc1O)[nH]c2=O ZINC001460635081 1061041362 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728468160 /nfs/dbraw/zinc/46/81/60/728468160.db2.gz NJXNGEIOMVGFAH-CYBMUJFWSA-N 0 1 355.822 2.787 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@@H](O)COc2cccc(F)c2)cc1F ZINC000858106420 730416706 /nfs/dbraw/zinc/41/67/06/730416706.db2.gz ISDBGXSWRUTAKG-CQSZACIVSA-N 0 1 354.372 2.699 20 10 FFCDMN CN(C)c1cc(F)c(CNCCCS(=O)(=O)c2ccccc2)cc1F ZINC000858111580 730416873 /nfs/dbraw/zinc/41/68/73/730416873.db2.gz LJEMMIUSTYXWDT-UHFFFAOYSA-N 0 1 368.449 2.984 20 10 FFCDMN CC(C)[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)N1CCCC1 ZINC000858137197 730417535 /nfs/dbraw/zinc/41/75/35/730417535.db2.gz IVXMDFGJMTYZMH-HNNXBMFYSA-N 0 1 355.276 2.891 20 10 FFCDMN O=C([C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862243676 730680663 /nfs/dbraw/zinc/68/06/63/730680663.db2.gz OYYJHMFUJVMTDM-CYBMUJFWSA-N 0 1 367.287 2.989 20 10 FFCDMN O=C([C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1)N1CCCC1 ZINC000862243676 730680664 /nfs/dbraw/zinc/68/06/64/730680664.db2.gz OYYJHMFUJVMTDM-CYBMUJFWSA-N 0 1 367.287 2.989 20 10 FFCDMN CC(C)OCCN1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862248023 730681736 /nfs/dbraw/zinc/68/17/36/730681736.db2.gz PNPDQIHQENDZSR-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000862328146 730688188 /nfs/dbraw/zinc/68/81/88/730688188.db2.gz LCBIGRNRNXTBGM-UHFFFAOYSA-N 0 1 356.260 2.926 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000862328146 730688191 /nfs/dbraw/zinc/68/81/91/730688191.db2.gz LCBIGRNRNXTBGM-UHFFFAOYSA-N 0 1 356.260 2.926 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000862347533 730690626 /nfs/dbraw/zinc/69/06/26/730690626.db2.gz FMDNZRMAUPKJQX-OAHLLOKOSA-N 0 1 366.259 2.823 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388296 730695967 /nfs/dbraw/zinc/69/59/67/730695967.db2.gz ZOIUSZQVLDORBS-PRHODGIISA-N 0 1 354.166 2.900 20 10 FFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388296 730695968 /nfs/dbraw/zinc/69/59/68/730695968.db2.gz ZOIUSZQVLDORBS-PRHODGIISA-N 0 1 354.166 2.900 20 10 FFCDMN COC1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000867270342 731163609 /nfs/dbraw/zinc/16/36/09/731163609.db2.gz NKWFJBFSYPWJCI-UHFFFAOYSA-N 0 1 354.255 2.688 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[O-] ZINC000872150243 731734590 /nfs/dbraw/zinc/73/45/90/731734590.db2.gz ZHYAPXLIESRIEJ-GXFFZTMASA-N 0 1 350.768 2.817 20 10 FFCDMN CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877496085 732373018 /nfs/dbraw/zinc/37/30/18/732373018.db2.gz MGZQTCPLUCJPAZ-ZDUSSCGKSA-N 0 1 350.365 2.783 20 10 FFCDMN CCCCN(Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1O ZINC000877503377 732374539 /nfs/dbraw/zinc/37/45/39/732374539.db2.gz KKWGOOKRWMOLOG-UHFFFAOYSA-N 0 1 354.497 2.903 20 10 FFCDMN CN(C)Cc1ccnc(NC(=O)NCCCSc2nccs2)c1 ZINC000880597462 732930182 /nfs/dbraw/zinc/93/01/82/732930182.db2.gz BPVAGZXHGAERCW-UHFFFAOYSA-N 0 1 351.501 2.904 20 10 FFCDMN C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000926954258 738672775 /nfs/dbraw/zinc/67/27/75/738672775.db2.gz SPPWHEZEBOEYJJ-JTQLQIEISA-N 0 1 364.305 2.876 20 10 FFCDMN CC(C)c1scnc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853371 733120826 /nfs/dbraw/zinc/12/08/26/733120826.db2.gz UCWXYRXDTACLEN-UHFFFAOYSA-N 0 1 358.511 2.948 20 10 FFCDMN N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCSc1nccs1 ZINC000884138109 733485333 /nfs/dbraw/zinc/48/53/33/733485333.db2.gz FDADGAVUCDMCNW-CQSZACIVSA-N 0 1 360.508 2.793 20 10 FFCDMN CN(Cc1ccsc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889673671 734206733 /nfs/dbraw/zinc/20/67/33/734206733.db2.gz LYAWKTWTOSHJQJ-UHFFFAOYSA-N 0 1 358.511 2.842 20 10 FFCDMN O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890760726 734336913 /nfs/dbraw/zinc/33/69/13/734336913.db2.gz XZFLSSADVCNVMZ-UHFFFAOYSA-N 0 1 352.862 2.697 20 10 FFCDMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(Br)cc(F)c1O ZINC000894040873 734791259 /nfs/dbraw/zinc/79/12/59/734791259.db2.gz XHUNSNYGSIRGCU-LQJGKPAFSA-N 0 1 350.253 2.635 20 10 FFCDMN COC(=O)c1cnc(CNC2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000894216389 734819910 /nfs/dbraw/zinc/81/99/10/734819910.db2.gz OQGQREHZJOTUSB-UHFFFAOYSA-N 0 1 361.467 2.697 20 10 FFCDMN COC(=O)[C@@H](CC(F)F)NCc1cc(Br)cc(F)c1O ZINC000894537602 734876329 /nfs/dbraw/zinc/87/63/29/734876329.db2.gz FHBZGDWQECJFAT-SECBINFHSA-N 0 1 356.138 2.580 20 10 FFCDMN Cn1nc(Br)nc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000894780459 734915785 /nfs/dbraw/zinc/91/57/85/734915785.db2.gz DUMSXUDQWNXHEU-UHFFFAOYSA-N 0 1 366.046 2.880 20 10 FFCDMN O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])CC[C@@H]2N1 ZINC000895258130 734982347 /nfs/dbraw/zinc/98/23/47/734982347.db2.gz BPENHWJONXLBNX-ZANVPECISA-N 0 1 373.678 2.909 20 10 FFCDMN CCOC(=O)[C@H](C)C1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000895476455 735012159 /nfs/dbraw/zinc/01/21/59/735012159.db2.gz IQAZPKAWWHCXOO-SECBINFHSA-N 0 1 360.223 2.925 20 10 FFCDMN Cc1nc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)sc1C ZINC000896053107 735094857 /nfs/dbraw/zinc/09/48/57/735094857.db2.gz BGFAOVFLWSQFKC-UHFFFAOYSA-N 0 1 358.511 2.751 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896568467 735175120 /nfs/dbraw/zinc/17/51/20/735175120.db2.gz NFWWOTCEILSYGP-RDJZCZTQSA-N 0 1 360.527 2.520 20 10 FFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896568467 735175122 /nfs/dbraw/zinc/17/51/22/735175122.db2.gz NFWWOTCEILSYGP-RDJZCZTQSA-N 0 1 360.527 2.520 20 10 FFCDMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000896970384 735189966 /nfs/dbraw/zinc/18/99/66/735189966.db2.gz JPSXBQVLADIJQU-VIFPVBQESA-N 0 1 354.378 2.903 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173487 735200833 /nfs/dbraw/zinc/20/08/33/735200833.db2.gz UXIFODMSWSOFRW-CQSZACIVSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897177163 735201960 /nfs/dbraw/zinc/20/19/60/735201960.db2.gz KJHHGXRFMFTLKM-OAHLLOKOSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897177163 735201966 /nfs/dbraw/zinc/20/19/66/735201966.db2.gz KJHHGXRFMFTLKM-OAHLLOKOSA-N 0 1 370.287 2.908 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897256457 735211232 /nfs/dbraw/zinc/21/12/32/735211232.db2.gz AZSFBJXJSQFKIZ-GFCCVEGCSA-N 0 1 356.260 2.661 20 10 FFCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1C ZINC000743050452 735274900 /nfs/dbraw/zinc/27/49/00/735274900.db2.gz SZTRYINKTOTRQS-UHFFFAOYSA-N 0 1 364.452 2.661 20 10 FFCDMN COc1ccc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000747693633 735583040 /nfs/dbraw/zinc/58/30/40/735583040.db2.gz ONARCNYQYPIONP-UVTDQMKNSA-N 0 1 373.206 2.919 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051376 735611896 /nfs/dbraw/zinc/61/18/96/735611896.db2.gz SJWRBIJRLCTSFT-CQSZACIVSA-N 0 1 364.873 2.986 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000748051376 735611897 /nfs/dbraw/zinc/61/18/97/735611897.db2.gz SJWRBIJRLCTSFT-CQSZACIVSA-N 0 1 364.873 2.986 20 10 FFCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000750047019 735767979 /nfs/dbraw/zinc/76/79/79/735767979.db2.gz LENXYSXLURRBTQ-OAHLLOKOSA-N 0 1 369.845 2.792 20 10 FFCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000750047019 735767981 /nfs/dbraw/zinc/76/79/81/735767981.db2.gz LENXYSXLURRBTQ-OAHLLOKOSA-N 0 1 369.845 2.792 20 10 FFCDMN C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1[O-] ZINC000903419647 736089922 /nfs/dbraw/zinc/08/99/22/736089922.db2.gz CPPQMQMABDUNTM-SNVBAGLBSA-N 0 1 352.232 2.732 20 10 FFCDMN CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000754152974 736131387 /nfs/dbraw/zinc/13/13/87/736131387.db2.gz BYGDSLHHJIWQCF-OYLFLEFRSA-N 0 1 371.865 2.707 20 10 FFCDMN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cccc(Cl)c2O)cn1 ZINC000754154448 736131393 /nfs/dbraw/zinc/13/13/93/736131393.db2.gz OSLYPKFRUIXRKY-WNSKOXEYSA-N 0 1 353.875 2.568 20 10 FFCDMN CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000755220734 736242351 /nfs/dbraw/zinc/24/23/51/736242351.db2.gz POVCJIQSDMQJQD-UHFFFAOYSA-N 0 1 360.907 2.728 20 10 FFCDMN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756357553 736324902 /nfs/dbraw/zinc/32/49/02/736324902.db2.gz DIUGCWLLHGHHSH-GFCCVEGCSA-N 0 1 374.298 2.582 20 10 FFCDMN C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000756458708 736333082 /nfs/dbraw/zinc/33/30/82/736333082.db2.gz KDJVYPFTLHGAEG-WCQYABFASA-N 0 1 365.813 2.865 20 10 FFCDMN CC1(C)CN(C(=O)C2CC2)CCN1Cc1cccc(Br)c1O ZINC000761226255 736709547 /nfs/dbraw/zinc/70/95/47/736709547.db2.gz NDYATUIESUZCEF-UHFFFAOYSA-N 0 1 367.287 2.988 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000761497859 736740710 /nfs/dbraw/zinc/74/07/10/736740710.db2.gz BUTGCAODKXLVEZ-ZFWWWQNUSA-N 0 1 358.276 2.983 20 10 FFCDMN CCOc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)n1 ZINC000763107354 736902736 /nfs/dbraw/zinc/90/27/36/736902736.db2.gz IBIHLNOSAVZZAT-KAMYIIQDSA-N 0 1 363.508 2.776 20 10 FFCDMN O[C@H]([C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000769381701 737522468 /nfs/dbraw/zinc/52/24/68/737522468.db2.gz QHJPQHBFIAYMSN-JKSUJKDBSA-N 0 1 362.367 2.550 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC(S(=O)(=O)NC)CC2)cc1 ZINC000769388554 737523588 /nfs/dbraw/zinc/52/35/88/737523588.db2.gz BEZCVXOEFWAJJE-UHFFFAOYSA-N 0 1 367.559 2.827 20 10 FFCDMN C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000772951741 737858727 /nfs/dbraw/zinc/85/87/27/737858727.db2.gz XTZPVHRWMZLCBP-CYBMUJFWSA-N 0 1 367.540 2.915 20 10 FFCDMN CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000773426983 737905265 /nfs/dbraw/zinc/90/52/65/737905265.db2.gz PMWZBQNAEYRWQD-UHFFFAOYSA-N 0 1 370.858 2.586 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Br)ccc1O ZINC000776014209 738152182 /nfs/dbraw/zinc/15/21/82/738152182.db2.gz QKRVXNLGKDIBFA-KGLIPLIRSA-N 0 1 372.259 2.697 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922813560 738204988 /nfs/dbraw/zinc/20/49/88/738204988.db2.gz WCORFOZOBXDCLJ-LBPRGKRZSA-N 0 1 356.260 2.973 20 10 FFCDMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790037362 739410171 /nfs/dbraw/zinc/41/01/71/739410171.db2.gz RUCOAJPZZGARDV-FZMZJTMJSA-N 0 1 359.392 2.633 20 10 FFCDMN COc1cc(CN2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793694833 739805839 /nfs/dbraw/zinc/80/58/39/739805839.db2.gz HFWOCFZTYMLRQM-ZDUSSCGKSA-N 0 1 355.500 2.565 20 10 FFCDMN CC[C@](C)(OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000795185723 739979490 /nfs/dbraw/zinc/97/94/90/739979490.db2.gz HNUHEAUFDBLLET-QAPCUYQASA-N 0 1 354.878 2.941 20 10 FFCDMN CC[C@](C)(OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000795185724 739979521 /nfs/dbraw/zinc/97/95/21/739979521.db2.gz HNUHEAUFDBLLET-YJBOKZPZSA-N 0 1 354.878 2.941 20 10 FFCDMN C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000797071386 740209215 /nfs/dbraw/zinc/20/92/15/740209215.db2.gz SGKDVZWHFJCWMQ-UWVGGRQHSA-N 0 1 362.289 2.771 20 10 FFCDMN CCOc1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000798955963 740376955 /nfs/dbraw/zinc/37/69/55/740376955.db2.gz AWWZROKBLSBKAN-UHFFFAOYSA-N 0 1 360.376 2.681 20 10 FFCDMN C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805191525 740948737 /nfs/dbraw/zinc/94/87/37/740948737.db2.gz IRINUVJZGVTCSP-JOYOIKCWSA-N 0 1 363.241 2.692 20 10 FFCDMN C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000806179289 741045421 /nfs/dbraw/zinc/04/54/21/741045421.db2.gz QNPUUHSQOJHEPM-WCQYABFASA-N 0 1 351.244 2.976 20 10 FFCDMN CCOC1CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107178 741111102 /nfs/dbraw/zinc/11/11/02/741111102.db2.gz GQIQJZVHSKQIEJ-BLDCVEFLSA-N 0 1 366.889 2.941 20 10 FFCDMN CCOC1CC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107178 741111105 /nfs/dbraw/zinc/11/11/05/741111105.db2.gz GQIQJZVHSKQIEJ-BLDCVEFLSA-N 0 1 366.889 2.941 20 10 FFCDMN CCc1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807513092 741138097 /nfs/dbraw/zinc/13/80/97/741138097.db2.gz 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CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239024 741400227 /nfs/dbraw/zinc/40/02/27/741400227.db2.gz QCQLLAIJWHTNOX-CYBMUJFWSA-N 0 1 351.390 2.886 20 10 FFCDMN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682859 741748421 /nfs/dbraw/zinc/74/84/21/741748421.db2.gz LWPOVIVLKVKTHV-ZDUSSCGKSA-N 0 1 374.268 2.898 20 10 FFCDMN C[C@@H](Sc1nncn1C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684214 741748689 /nfs/dbraw/zinc/74/86/89/741748689.db2.gz FEPRHLDHSIYCNJ-SSDOTTSWSA-N 0 1 361.254 2.625 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1ncccn1 ZINC000813683786 741748877 /nfs/dbraw/zinc/74/88/77/741748877.db2.gz CTBZWVUXKCQAGQ-ZDUSSCGKSA-N 0 1 367.236 2.774 20 10 FFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c[nH]1 ZINC000815835135 741964610 /nfs/dbraw/zinc/96/46/10/741964610.db2.gz KVVJZLNTVKNRGT-AWEZNQCLSA-N 0 1 351.809 2.907 20 10 FFCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816495181 742034324 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KSVADWYPHNHKFX-UHFFFAOYSA-N 0 1 357.414 2.753 20 10 FFCDMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCCC1 ZINC000237199706 509591931 /nfs/dbraw/zinc/59/19/31/509591931.db2.gz MCQGNQQBWQKYPJ-LJQANCHMSA-N 0 1 353.466 2.773 20 10 FFCDMN CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000186293960 509628071 /nfs/dbraw/zinc/62/80/71/509628071.db2.gz RPAQFUZCZATZOW-CQSZACIVSA-N 0 1 358.276 2.985 20 10 FFCDMN CN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1O ZINC000264674365 509637604 /nfs/dbraw/zinc/63/76/04/509637604.db2.gz ABPLVPMBPXMLFD-UHFFFAOYSA-N 0 1 355.463 2.793 20 10 FFCDMN CCS(=O)(=O)CCCCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000190417754 510119425 /nfs/dbraw/zinc/11/94/25/510119425.db2.gz NVTFLYGWEGQDDO-UHFFFAOYSA-N 0 1 368.543 2.812 20 10 FFCDMN CCS(=O)(=O)CCCCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000190417754 510119431 /nfs/dbraw/zinc/11/94/31/510119431.db2.gz NVTFLYGWEGQDDO-UHFFFAOYSA-N 0 1 368.543 2.812 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)on3)cc2F)CC1 ZINC000171687126 510306582 /nfs/dbraw/zinc/30/65/82/510306582.db2.gz UOXDIONACDBGFQ-UHFFFAOYSA-N 0 1 361.421 2.586 20 10 FFCDMN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000184958586 510604936 /nfs/dbraw/zinc/60/49/36/510604936.db2.gz HOGXZWLQSRDRIM-NSHDSACASA-N 0 1 354.859 2.586 20 10 FFCDMN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272651944 511502504 /nfs/dbraw/zinc/50/25/04/511502504.db2.gz NCWDXWVLYCLXSK-XSFOEPMVSA-N 0 1 352.434 2.844 20 10 FFCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000284251868 511656494 /nfs/dbraw/zinc/65/64/94/511656494.db2.gz INKCUEJYIZHBHU-JVLSTEMRSA-N 0 1 360.292 2.963 20 10 FFCDMN COc1ccc(N2CCN(CCCNc3ncc(C)c(C)n3)CC2)cc1 ZINC000301882084 511702667 /nfs/dbraw/zinc/70/26/67/511702667.db2.gz MPOPXGVGASEVQW-UHFFFAOYSA-N 0 1 355.486 2.726 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)C(C)(F)F)CC2)cc1 ZINC000292926489 511775291 /nfs/dbraw/zinc/77/52/91/511775291.db2.gz ZWKVNPZDFNWPAK-HNNXBMFYSA-N 0 1 369.456 2.615 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1[O-] ZINC000363847651 511806056 /nfs/dbraw/zinc/80/60/56/511806056.db2.gz DRBJSLSSIYWXBA-XLDJFRKUSA-N 0 1 367.449 2.917 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000274877166 511972932 /nfs/dbraw/zinc/97/29/32/511972932.db2.gz GXIKPHLMMZFFLM-ZBFHGGJFSA-N 0 1 358.276 2.983 20 10 FFCDMN COC[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444244135 514165864 /nfs/dbraw/zinc/16/58/64/514165864.db2.gz JGENWSMJJCYNSE-QGZVFWFLSA-N 0 1 369.509 2.903 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCCO3)C1 ZINC000628789340 521792866 /nfs/dbraw/zinc/79/28/66/521792866.db2.gz AKEMPWLGTCQVMJ-UHFFFAOYSA-N 0 1 367.493 2.799 20 10 FFCDMN O=C(Cn1cnnc1-c1nn[nH]n1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737989463 598876470 /nfs/dbraw/zinc/87/64/70/598876470.db2.gz YSAUWRPZNCPVNU-UHFFFAOYSA-N 0 1 374.368 2.512 20 10 FFCDMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000833193969 604467731 /nfs/dbraw/zinc/46/77/31/604467731.db2.gz UIMDLXRMNWLINU-HXUWFJFHSA-N 0 1 352.434 2.535 20 10 FFCDMN COc1ccc(O)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833733190 605241787 /nfs/dbraw/zinc/24/17/87/605241787.db2.gz BVGSVOGKSPZABZ-UHFFFAOYSA-N 0 1 351.786 2.847 20 10 FFCDMN Cc1cc(Br)c(O)c(C[NH+]2CCC(CNC(=O)[O-])CC2)c1 ZINC000833897993 605912565 /nfs/dbraw/zinc/91/25/65/605912565.db2.gz PVAKAWMXFJYMMB-UHFFFAOYSA-N 0 1 357.248 2.943 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1O ZINC000833898803 605991055 /nfs/dbraw/zinc/99/10/55/605991055.db2.gz WFLGODKDUUDJOS-LLVKDONJSA-N 0 1 357.248 2.895 20 10 FFCDMN Cn1cc([C@@]2(C[NH2+]Cc3cc(Br)ccc3[O-])CCCO2)cn1 ZINC000898059154 735308876 /nfs/dbraw/zinc/30/88/76/735308876.db2.gz ZLTBPPWRHAFQIR-INIZCTEOSA-N 0 1 366.259 2.684 20 10 FFCDMN O=C(NCc1ccc(N2CCSCC2)cc1)c1[nH]nc2c1CCCC2 ZINC000121367684 728625369 /nfs/dbraw/zinc/62/53/69/728625369.db2.gz QZGSVSGHKYGGEF-UHFFFAOYSA-N 0 1 356.495 2.772 20 10 FFCDMN O[C@@H]([C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000123706419 728661724 /nfs/dbraw/zinc/66/17/24/728661724.db2.gz QHJPQHBFIAYMSN-HOTGVXAUSA-N 0 1 362.367 2.550 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)OCC(F)(F)F)cc2F)CC1 ZINC000171687183 729010667 /nfs/dbraw/zinc/01/06/67/729010667.db2.gz ZOAAMSQBPZGUJQ-UHFFFAOYSA-N 0 1 363.355 2.756 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3csc([N+](=O)[O-])c3)SC2=S)CC1 ZINC000194754160 729519091 /nfs/dbraw/zinc/51/90/91/729519091.db2.gz GSWVTUHKZFGPCE-IZZDOVSWSA-N 0 1 369.493 2.952 20 10 FFCDMN CC(C)C(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858094033 730416360 /nfs/dbraw/zinc/41/63/60/730416360.db2.gz CLQMULYTQLFBNL-UHFFFAOYSA-N 0 1 355.276 2.891 20 10 FFCDMN Cc1cccc(OC[C@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858107655 730416771 /nfs/dbraw/zinc/41/67/71/730416771.db2.gz HXJZJCCMZFHEPY-CYBMUJFWSA-N 0 1 366.255 2.993 20 10 FFCDMN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858142660 730417749 /nfs/dbraw/zinc/41/77/49/730417749.db2.gz ISFBWDWQLZRNMQ-GHMZBOCLSA-N 0 1 362.289 2.600 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858171308 730418649 /nfs/dbraw/zinc/41/86/49/730418649.db2.gz UUHNHZVGTGNJLK-CYBMUJFWSA-N 0 1 366.433 2.692 20 10 FFCDMN CCO[C@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000859161297 730443805 /nfs/dbraw/zinc/44/38/05/730443805.db2.gz NUMBYJFARNOSRA-CYBMUJFWSA-N 0 1 368.282 2.934 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CC[C@H](S(=O)(=O)NCC)C2)cc1 ZINC000779609817 738472141 /nfs/dbraw/zinc/47/21/41/738472141.db2.gz VMAGTFICZHZSHI-IBGZPJMESA-N 0 1 367.559 2.827 20 10 FFCDMN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC000862248961 730681641 /nfs/dbraw/zinc/68/16/41/730681641.db2.gz VBRNJYGXONJXGO-HZPDHXFCSA-N 0 1 370.287 2.907 20 10 FFCDMN Cn1ncc(I)c1CN[C@@H]1CCc2cccc(O)c21 ZINC000866632184 731081976 /nfs/dbraw/zinc/08/19/76/731081976.db2.gz VCTIODASCXRGNW-LLVKDONJSA-N 0 1 369.206 2.507 20 10 FFCDMN Cn1nccc1[C@H](NCc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC000883155013 733343594 /nfs/dbraw/zinc/34/35/94/733343594.db2.gz YJELJUXNIUDOLI-AWEZNQCLSA-N 0 1 353.369 2.577 20 10 FFCDMN C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075909 734362487 /nfs/dbraw/zinc/36/24/87/734362487.db2.gz QHGYEPHGNWRBEY-MRVPVSSYSA-N 0 1 370.696 2.673 20 10 FFCDMN C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075909 734362493 /nfs/dbraw/zinc/36/24/93/734362493.db2.gz QHGYEPHGNWRBEY-MRVPVSSYSA-N 0 1 370.696 2.673 20 10 FFCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894014554 734786809 /nfs/dbraw/zinc/78/68/09/734786809.db2.gz MQLUVBJZCQBXGT-CYBMUJFWSA-N 0 1 371.250 2.881 20 10 FFCDMN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894535089 734875896 /nfs/dbraw/zinc/87/58/96/734875896.db2.gz WQCUVMKFDBBLPT-JSGCOSHPSA-N 0 1 372.234 2.864 20 10 FFCDMN COC(=O)[C@](C)(CCF)NCc1cc(Br)cc(F)c1O ZINC000895279200 734986247 /nfs/dbraw/zinc/98/62/47/734986247.db2.gz SECHVUMUTHGNQL-ZDUSSCGKSA-N 0 1 352.175 2.675 20 10 FFCDMN CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C[C@@H]2C1 ZINC000895577000 735026084 /nfs/dbraw/zinc/02/60/84/735026084.db2.gz UEKOQAOZIGUHGL-TXEJJXNPSA-N 0 1 373.678 2.718 20 10 FFCDMN COC(=O)c1cc(C[NH2+]Cc2ccc(Br)cc2[O-])n(C)c1C ZINC000895646482 735036262 /nfs/dbraw/zinc/03/62/62/735036262.db2.gz MNERWRHLJHIPQC-UHFFFAOYSA-N 0 1 367.243 2.878 20 10 FFCDMN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443419 738891836 /nfs/dbraw/zinc/89/18/36/738891836.db2.gz SBGNWDWGGDZFRW-XPKDYRNWSA-N 0 1 352.862 2.551 20 10 FFCDMN Cc1cc(N(C)C)ccc1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000747397819 735561616 /nfs/dbraw/zinc/56/16/16/735561616.db2.gz ZQXZXDLOBAGKQI-UHFFFAOYSA-N 0 1 354.526 2.610 20 10 FFCDMN COc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000901703229 735822914 /nfs/dbraw/zinc/82/29/14/735822914.db2.gz PZALQHUKEHZVIB-INIZCTEOSA-N 0 1 355.387 2.669 20 10 FFCDMN O=C(NCc1ccccc1O)c1cccc(I)c1O ZINC000755515534 736258536 /nfs/dbraw/zinc/25/85/36/736258536.db2.gz MOFHXFFMPXPTMO-UHFFFAOYSA-N 0 1 369.158 2.632 20 10 FFCDMN CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765175986 737091413 /nfs/dbraw/zinc/09/14/13/737091413.db2.gz HBELRXTVZOYKDB-HOCLYGCPSA-N 0 1 354.878 2.533 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[O-] ZINC000768252032 737408906 /nfs/dbraw/zinc/40/89/06/737408906.db2.gz TZZFYZWPWXLOPV-HNNXBMFYSA-N 0 1 369.849 2.641 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000769381297 737522539 /nfs/dbraw/zinc/52/25/39/737522539.db2.gz NVIJECYTWBELHR-BXKDBHETSA-N 0 1 354.712 2.841 20 10 FFCDMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107971 737871855 /nfs/dbraw/zinc/87/18/55/737871855.db2.gz SBXZUDNTUKESQC-DGCLKSJQSA-N 0 1 350.356 2.626 20 10 FFCDMN O=C(NCCCSc1nccs1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000921446342 737985407 /nfs/dbraw/zinc/98/54/07/737985407.db2.gz GKRKHJUACUWXSV-OLZOCXBDSA-N 0 1 372.585 2.504 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000775286106 738078089 /nfs/dbraw/zinc/07/80/89/738078089.db2.gz CTSYCGCGUVHZQX-UHFFFAOYSA-N 0 1 365.407 2.767 20 10 FFCDMN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000922403863 738139251 /nfs/dbraw/zinc/13/92/51/738139251.db2.gz VRFVNCIADWPHPG-NVXWUHKLSA-N 0 1 350.413 2.867 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785980413 739016305 /nfs/dbraw/zinc/01/63/05/739016305.db2.gz YMDGDLCRXUIUHD-GOSISDBHSA-N 0 1 353.532 2.566 20 10 FFCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793365334 739774372 /nfs/dbraw/zinc/77/43/72/739774372.db2.gz KMEGGSPLBJWGRC-INIZCTEOSA-N 0 1 356.260 2.925 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000797112444 740213300 /nfs/dbraw/zinc/21/33/00/740213300.db2.gz QBKOIQGKCGHHGL-YGRLFVJLSA-N 0 1 352.784 2.959 20 10 FFCDMN CSCCC[N@@H+](C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000799161478 740394374 /nfs/dbraw/zinc/39/43/74/740394374.db2.gz VDXOKPYTFOKFRS-UHFFFAOYSA-N 0 1 366.527 2.612 20 10 FFCDMN COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)ccc1O ZINC000800843641 740555242 /nfs/dbraw/zinc/55/52/42/740555242.db2.gz XPXSQNNVVJOJCD-UHFFFAOYSA-N 0 1 367.810 2.984 20 10 FFCDMN Cc1noc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000805054066 740932292 /nfs/dbraw/zinc/93/22/92/740932292.db2.gz HBSFOGCTYAUNSU-UHFFFAOYSA-N 0 1 359.213 2.822 20 10 FFCDMN Cn1cc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805053804 740932322 /nfs/dbraw/zinc/93/23/22/740932322.db2.gz VTIXDTTZSBCLNM-UHFFFAOYSA-N 0 1 357.241 2.865 20 10 FFCDMN Cc1cc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000805135335 740943745 /nfs/dbraw/zinc/94/37/45/740943745.db2.gz JYLZZZUCXMOPKR-UHFFFAOYSA-N 0 1 351.211 2.615 20 10 FFCDMN C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000806178882 741045649 /nfs/dbraw/zinc/04/56/49/741045649.db2.gz KLSHRNAFQIUCMI-AAEUAGOBSA-N 0 1 351.244 2.976 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CN(CC(F)(F)F)C1 ZINC000807837236 741162850 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/nfs/dbraw/zinc/59/68/02/1064596802.db2.gz VDAIMTCBKHDIBJ-UHFFFAOYSA-N 0 1 368.456 2.850 20 10 FFCDMN CC(C)(C)OC(=O)CN(Cc1c[nH]nn1)Cc1ccc(Cl)cc1O ZINC001575275758 1078124125 /nfs/dbraw/zinc/12/41/25/1078124125.db2.gz ZNONNLWYBMOZOG-UHFFFAOYSA-N 0 1 352.822 2.508 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H](O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001473732528 1065338424 /nfs/dbraw/zinc/33/84/24/1065338424.db2.gz LFDWHJYFGPGUFJ-HXUWFJFHSA-N 0 1 356.466 2.868 20 10 FFCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(N(C)C)nc3)cc2F)C[C@@H](C)O1 ZINC001473940530 1065423667 /nfs/dbraw/zinc/42/36/67/1065423667.db2.gz HJQHKNQTRMXCIA-HUUCEWRRSA-N 0 1 373.476 2.585 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)N(C)CCO4)cc2)CC1 ZINC001474061690 1065448930 /nfs/dbraw/zinc/44/89/30/1065448930.db2.gz RAWMOGPMKISFAG-UHFFFAOYSA-N 0 1 352.482 2.879 20 10 FFCDMN O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1[O-])N1CCOCC1 ZINC001474421350 1065517372 /nfs/dbraw/zinc/51/73/72/1065517372.db2.gz IXRPOCUUQYYIDA-GOSISDBHSA-N 0 1 374.868 2.605 20 10 FFCDMN CC(C)C[C@H]1C(=O)NCCN1Cc1cc(Br)cc(F)c1O ZINC001474457131 1065527206 /nfs/dbraw/zinc/52/72/06/1065527206.db2.gz URLGOQIJRIBXFE-ZDUSSCGKSA-N 0 1 359.239 2.640 20 10 FFCDMN O=C1CN(Cc2cc(Cl)cc(Br)c2O)CN1CC1CC1 ZINC001474478859 1065532377 /nfs/dbraw/zinc/53/23/77/1065532377.db2.gz IPIUIGFYFARQIE-UHFFFAOYSA-N 0 1 359.651 2.820 20 10 FFCDMN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474660866 1065572174 /nfs/dbraw/zinc/57/21/74/1065572174.db2.gz VVMCUUAPNCESPT-CQSZACIVSA-N 0 1 356.850 2.771 20 10 FFCDMN C[C@@H]1[C@H](C)N(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCN1C ZINC001562966261 1074801804 /nfs/dbraw/zinc/80/18/04/1074801804.db2.gz RQYLKAFZUCWVNC-CABCVRRESA-N 0 1 364.453 2.953 20 10 FFCDMN O=C(Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1)NCCO ZINC001560383742 1076269466 /nfs/dbraw/zinc/26/94/66/1076269466.db2.gz ODEIFDKUARJGJP-UHFFFAOYSA-N 0 1 369.248 2.962 20 10 FFCDMN C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001563516433 1076562339 /nfs/dbraw/zinc/56/23/39/1076562339.db2.gz 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ZINC000179636355 509548667 /nfs/dbraw/zinc/54/86/67/509548667.db2.gz IZTXALUGDANVPV-UHFFFAOYSA-N 0 1 363.465 2.544 20 10 FFCDMN CNC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000264600552 509618089 /nfs/dbraw/zinc/61/80/89/509618089.db2.gz JRZIGSKFOFJSJH-LJQANCHMSA-N 0 1 354.450 2.933 20 10 FFCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000183467766 509808936 /nfs/dbraw/zinc/80/89/36/509808936.db2.gz AOCLHPVBORNYLP-QAPCUYQASA-N 0 1 354.450 2.810 20 10 FFCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000183467784 509809113 /nfs/dbraw/zinc/80/91/13/509809113.db2.gz AOCLHPVBORNYLP-MAUKXSAKSA-N 0 1 354.450 2.810 20 10 FFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000268270658 509844639 /nfs/dbraw/zinc/84/46/39/509844639.db2.gz CDTXBOJMEGUAKJ-UHFFFAOYSA-N 0 1 361.530 2.991 20 10 FFCDMN CN1CCC(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)CC1 ZINC000180765659 510098140 /nfs/dbraw/zinc/09/81/40/510098140.db2.gz UAOAHOOTYQQISB-DHZHZOJOSA-N 0 1 369.493 2.952 20 10 FFCDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269050996 510212081 /nfs/dbraw/zinc/21/20/81/510212081.db2.gz VLOCDKMKDXELFZ-SJORKVTESA-N 0 1 370.453 2.884 20 10 FFCDMN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1CN1CCC(O)CC1 ZINC000181273969 510332164 /nfs/dbraw/zinc/33/21/64/510332164.db2.gz YKCGCQDNZMSQTH-SOFGYWHQSA-N 0 1 368.433 2.706 20 10 FFCDMN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185029517 510643667 /nfs/dbraw/zinc/64/36/67/510643667.db2.gz YVNQUCHIOGIDMB-AWEZNQCLSA-N 0 1 350.484 2.868 20 10 FFCDMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185140537 510707621 /nfs/dbraw/zinc/70/76/21/510707621.db2.gz BNDORGOYOADINF-DYVFJYSZSA-N 0 1 356.919 2.904 20 10 FFCDMN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])CC2 ZINC000185317079 510803088 /nfs/dbraw/zinc/80/30/88/510803088.db2.gz XXABVLKBICALQC-SKDRFNHKSA-N 0 1 351.248 2.720 20 10 FFCDMN CCOCc1cc(CN[C@@]2(CO)CCOc3ccccc32)ccc1OC ZINC000282196193 510882363 /nfs/dbraw/zinc/88/23/63/510882363.db2.gz CHXYSEWMGNEVPK-OAQYLSRUSA-N 0 1 357.450 2.992 20 10 FFCDMN COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278178521 510983545 /nfs/dbraw/zinc/98/35/45/510983545.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N 0 1 374.393 2.885 20 10 FFCDMN COCCn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000282815363 511120965 /nfs/dbraw/zinc/12/09/65/511120965.db2.gz RNCAJWJKZNXLMX-LLVKDONJSA-N 0 1 354.248 2.848 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000295590933 511454599 /nfs/dbraw/zinc/45/45/99/511454599.db2.gz MNRQVZXJNQIFEY-CYBMUJFWSA-N 0 1 350.434 2.848 20 10 FFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000295590933 511454601 /nfs/dbraw/zinc/45/46/01/511454601.db2.gz MNRQVZXJNQIFEY-CYBMUJFWSA-N 0 1 350.434 2.848 20 10 FFCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273456534 511526415 /nfs/dbraw/zinc/52/64/15/511526415.db2.gz HCHMWMWNMNMADA-BOFPYLFWSA-N 0 1 363.458 2.719 20 10 FFCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000292474318 511610551 /nfs/dbraw/zinc/61/05/51/511610551.db2.gz RPSCRCNLASHTPL-XOBRGWDASA-N 0 1 373.522 2.722 20 10 FFCDMN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000280908745 511649412 /nfs/dbraw/zinc/64/94/12/511649412.db2.gz GIHSECVTYKDBLU-GFCCVEGCSA-N 0 1 362.289 2.773 20 10 FFCDMN CCN1CCN(c2ccc(CNc3nccn4nc(C)cc34)cc2F)CC1 ZINC000302367548 511708169 /nfs/dbraw/zinc/70/81/69/511708169.db2.gz BGTHJMKYMDDHLU-UHFFFAOYSA-N 0 1 368.460 2.931 20 10 FFCDMN CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000274873653 511971949 /nfs/dbraw/zinc/97/19/49/511971949.db2.gz GFXNPXBOVWTGNX-HIFRSBDPSA-N 0 1 354.248 2.663 20 10 FFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507062 511989818 /nfs/dbraw/zinc/98/98/18/511989818.db2.gz AJDZZNBRXLPZEA-ZBEGNZNMSA-N 0 1 353.825 2.864 20 10 FFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507049 511990134 /nfs/dbraw/zinc/99/01/34/511990134.db2.gz AJDZZNBRXLPZEA-BDJLRTHQSA-N 0 1 353.825 2.864 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1 ZINC000377068475 513106825 /nfs/dbraw/zinc/10/68/25/513106825.db2.gz RRAITPBJFFDIKV-BLDCVEFLSA-N 0 1 366.889 2.677 20 10 FFCDMN COC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435813077 513690273 /nfs/dbraw/zinc/69/02/73/513690273.db2.gz CWRQYBYESOLSTG-UHFFFAOYSA-N 0 1 357.498 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCOC2)C1 ZINC000435871416 513705042 /nfs/dbraw/zinc/70/50/42/513705042.db2.gz SOGRFDNZJQYRMN-QFIPXVFZSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](CO)C2CC2)C1 ZINC000461613233 514667463 /nfs/dbraw/zinc/66/74/63/514667463.db2.gz ZQOVARLDCHNCPN-QGZVFWFLSA-N 0 1 369.509 2.543 20 10 FFCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000510918284 515714699 /nfs/dbraw/zinc/71/46/99/515714699.db2.gz FGQYYMNYXBQSRC-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000510918284 515714710 /nfs/dbraw/zinc/71/47/10/515714710.db2.gz FGQYYMNYXBQSRC-INIZCTEOSA-N 0 1 355.482 2.655 20 10 FFCDMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880439 600219197 /nfs/dbraw/zinc/21/91/97/600219197.db2.gz WXVVRBXMRMWAIU-KUHUBIRLSA-N 0 1 362.470 2.752 20 10 FFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833419606 605553203 /nfs/dbraw/zinc/55/32/03/605553203.db2.gz HIKIGVLNSOTMSY-INIZCTEOSA-N 0 1 364.461 2.985 20 10 FFCDMN COc1ccc(N2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826208914 608620298 /nfs/dbraw/zinc/62/02/98/608620298.db2.gz FTECELYOSVPJFJ-UHFFFAOYSA-N 0 1 370.482 2.649 20 10 FFCDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826208914 608620299 /nfs/dbraw/zinc/62/02/99/608620299.db2.gz FTECELYOSVPJFJ-UHFFFAOYSA-N 0 1 370.482 2.649 20 10 FFCDMN COc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826208914 608620300 /nfs/dbraw/zinc/62/03/00/608620300.db2.gz FTECELYOSVPJFJ-UHFFFAOYSA-N 0 1 370.482 2.649 20 10 FFCDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826208914 608620301 /nfs/dbraw/zinc/62/03/01/608620301.db2.gz FTECELYOSVPJFJ-UHFFFAOYSA-N 0 1 370.482 2.649 20 10 FFCDMN Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cccc1-c1nn[nH]n1 ZINC000826242220 609485671 /nfs/dbraw/zinc/48/56/71/609485671.db2.gz FVZUTXQTSZGZRF-UHFFFAOYSA-N 0 1 363.469 2.539 20 10 FFCDMN CN(c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1)S(C)(=O)=O ZINC000898287126 735336792 /nfs/dbraw/zinc/33/67/92/735336792.db2.gz RLDBHWDJDFUUQP-UHFFFAOYSA-N 0 1 354.859 2.731 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516183 735374022 /nfs/dbraw/zinc/37/40/22/735374022.db2.gz NQPKLKXMNRSPNY-HIFRSBDPSA-N 0 1 350.415 2.948 20 10 FFCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccccc1Cl ZINC000041374387 727939820 /nfs/dbraw/zinc/93/98/20/727939820.db2.gz SHDSQIOHKJYOKJ-UHFFFAOYSA-N 0 1 352.843 2.977 20 10 FFCDMN CN(CC[S@](=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000104944816 728503986 /nfs/dbraw/zinc/50/39/86/728503986.db2.gz TYVCNUBCUCYWCH-RUZDIDTESA-N 0 1 358.507 2.763 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3cccs3)cc2F)CC1 ZINC000106701967 728511496 /nfs/dbraw/zinc/51/14/96/728511496.db2.gz XVQQONJVDODONU-UHFFFAOYSA-N 0 1 361.486 2.888 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NC[C@@H](C)SC)cc2F)CC1 ZINC000163822974 728961287 /nfs/dbraw/zinc/96/12/87/728961287.db2.gz UTQYKSQTOYBWFG-CQSZACIVSA-N 0 1 368.522 2.518 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270751 729132917 /nfs/dbraw/zinc/13/29/17/729132917.db2.gz FTLSIESTBPTCGZ-CYBMUJFWSA-N 0 1 352.862 2.986 20 10 FFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177270751 729132919 /nfs/dbraw/zinc/13/29/19/729132919.db2.gz FTLSIESTBPTCGZ-CYBMUJFWSA-N 0 1 352.862 2.986 20 10 FFCDMN CCC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179642194 729191129 /nfs/dbraw/zinc/19/11/29/729191129.db2.gz OBXQQAWCYCIVLZ-LBPRGKRZSA-N 0 1 362.289 2.554 20 10 FFCDMN CSc1nn(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c(=O)[nH]1 ZINC000188166991 729385130 /nfs/dbraw/zinc/38/51/30/729385130.db2.gz SDGKHOGBCXZGFS-UHFFFAOYSA-N 0 1 356.451 2.892 20 10 FFCDMN Cc1cc(O)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000856535732 730345449 /nfs/dbraw/zinc/34/54/49/730345449.db2.gz HLOAACCCWWWUAR-JKSUJKDBSA-N 0 1 359.857 2.704 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000858100019 730416566 /nfs/dbraw/zinc/41/65/66/730416566.db2.gz GQXUNABQNSMSRN-LBPRGKRZSA-N 0 1 363.259 2.703 20 10 FFCDMN CN(C)c1cc(F)c(CNC[C@H](O)COc2cccc(F)c2)cc1F ZINC000858106418 730416676 /nfs/dbraw/zinc/41/66/76/730416676.db2.gz ISDBGXSWRUTAKG-AWEZNQCLSA-N 0 1 354.372 2.699 20 10 FFCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862240421 730680157 /nfs/dbraw/zinc/68/01/57/730680157.db2.gz PLMIHZBPROOFFP-LBPRGKRZSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240421 730680158 /nfs/dbraw/zinc/68/01/58/730680158.db2.gz PLMIHZBPROOFFP-LBPRGKRZSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240421 730680160 /nfs/dbraw/zinc/68/01/60/730680160.db2.gz PLMIHZBPROOFFP-LBPRGKRZSA-N 0 1 353.260 2.742 20 10 FFCDMN O=C1CCCN1[C@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862240421 730680161 /nfs/dbraw/zinc/68/01/61/730680161.db2.gz PLMIHZBPROOFFP-LBPRGKRZSA-N 0 1 353.260 2.742 20 10 FFCDMN C[C@H]([NH2+]CC1(N)CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000863541488 730789654 /nfs/dbraw/zinc/78/96/54/730789654.db2.gz MASLMWOHWBYQQC-VIFPVBQESA-N 0 1 363.683 2.967 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865682915 730985202 /nfs/dbraw/zinc/98/52/02/730985202.db2.gz SHDVTTPWQRMCPS-NSHDSACASA-N 0 1 365.153 2.639 20 10 FFCDMN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Br)cc1[O-] ZINC000866412664 731057221 /nfs/dbraw/zinc/05/72/21/731057221.db2.gz LSJXGLZDCPDETO-YPMHNXCESA-N 0 1 357.292 2.651 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]nn3)cc2Cl)C1 ZINC000868064582 731256071 /nfs/dbraw/zinc/25/60/71/731256071.db2.gz CILQUNNDCHNILP-CYBMUJFWSA-N 0 1 361.877 2.943 20 10 FFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3cnn[nH]3)cc2Cl)C1 ZINC000868064582 731256074 /nfs/dbraw/zinc/25/60/74/731256074.db2.gz CILQUNNDCHNILP-CYBMUJFWSA-N 0 1 361.877 2.943 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048060 732001194 /nfs/dbraw/zinc/00/11/94/732001194.db2.gz IBQWREKBWHMJQJ-GHMZBOCLSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048060 732001195 /nfs/dbraw/zinc/00/11/95/732001195.db2.gz IBQWREKBWHMJQJ-GHMZBOCLSA-N 0 1 367.808 2.609 20 10 FFCDMN Cc1cnc(Cl)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000881848616 733119937 /nfs/dbraw/zinc/11/99/37/733119937.db2.gz DSCVHPAAFXHVOU-UHFFFAOYSA-N 0 1 358.873 2.725 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000881854216 733120602 /nfs/dbraw/zinc/12/06/02/733120602.db2.gz XJQWTKBNCNDMPS-INIZCTEOSA-N 0 1 351.441 2.880 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2)CC1 ZINC000881855163 733120696 /nfs/dbraw/zinc/12/06/96/733120696.db2.gz PWQULYGALOMUAW-RBUKOAKNSA-N 0 1 355.507 2.920 20 10 FFCDMN C[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)CC(F)F ZINC000883757707 733433924 /nfs/dbraw/zinc/43/39/24/733433924.db2.gz URJWLTNNOSCURG-AWEZNQCLSA-N 0 1 354.445 2.529 20 10 FFCDMN CN(C)Cc1csc(CNCc2cc(Br)ccc2O)n1 ZINC000722380151 734383997 /nfs/dbraw/zinc/38/39/97/734383997.db2.gz HVHGACNARDMGJI-UHFFFAOYSA-N 0 1 356.289 2.963 20 10 FFCDMN CN(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894376415 734848583 /nfs/dbraw/zinc/84/85/83/734848583.db2.gz ZAEJRDRYKYRLIJ-UHFFFAOYSA-N 0 1 364.671 2.511 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000897269244 735212984 /nfs/dbraw/zinc/21/29/84/735212984.db2.gz ABFXNOUQVLENOY-CQSZACIVSA-N 0 1 350.415 2.948 20 10 FFCDMN CCN1CCC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392120 736086691 /nfs/dbraw/zinc/08/66/91/736086691.db2.gz MRTAJBWFNHGKKY-KSSFIOAISA-N 0 1 365.905 2.838 20 10 FFCDMN C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000754121861 736128271 /nfs/dbraw/zinc/12/82/71/736128271.db2.gz GKZMAVHCCZGQFT-AWEZNQCLSA-N 0 1 354.878 2.980 20 10 FFCDMN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756447781 736332283 /nfs/dbraw/zinc/33/22/83/736332283.db2.gz YKIKIDDVBMJMPD-LBPRGKRZSA-N 0 1 368.886 2.946 20 10 FFCDMN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756481597 736335372 /nfs/dbraw/zinc/33/53/72/736335372.db2.gz DBSFBPHEPDKTFW-LBPRGKRZSA-N 0 1 354.859 2.675 20 10 FFCDMN COC1CCN(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756640369 736349147 /nfs/dbraw/zinc/34/91/47/736349147.db2.gz AGYFHQKNFXHVCV-GFCCVEGCSA-N 0 1 357.292 2.916 20 10 FFCDMN CN(C)C(=O)N1CCN(Cc2cccc(Br)c2O)C(C)(C)C1 ZINC000761225954 736709585 /nfs/dbraw/zinc/70/95/85/736709585.db2.gz KETYUUVUXLURPS-UHFFFAOYSA-N 0 1 370.291 2.733 20 10 FFCDMN COc1cc([C@H](C)NCc2ccc3c(c2)CCO3)ccc1S(C)(=O)=O ZINC000765607384 737137638 /nfs/dbraw/zinc/13/76/38/737137638.db2.gz DCTMXXAGTKECBO-ZDUSSCGKSA-N 0 1 361.463 2.884 20 10 FFCDMN O=C(NCc1cccc(Br)c1O)c1c[nH]c2ccccc2c1=O ZINC000765746081 737152470 /nfs/dbraw/zinc/15/24/70/737152470.db2.gz DDIKFXKNGPCDIZ-UHFFFAOYSA-N 0 1 373.206 2.926 20 10 FFCDMN COc1cc(O)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)cc1OC ZINC000767513138 737334236 /nfs/dbraw/zinc/33/42/36/737334236.db2.gz MLZBBPCKBWXWFL-INIZCTEOSA-N 0 1 363.376 2.935 20 10 FFCDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccccc3O)n2)cc1 ZINC000767925270 737383377 /nfs/dbraw/zinc/38/33/77/737383377.db2.gz BGRJEKBWNRCZBM-UHFFFAOYSA-N 0 1 354.435 2.894 20 10 FFCDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911617 737476492 /nfs/dbraw/zinc/47/64/92/737476492.db2.gz GJTAHJOKYKSBSW-CJNGLKHVSA-N 0 1 362.861 2.584 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)O[C@H]1CCOC1 ZINC000914156617 737516998 /nfs/dbraw/zinc/51/69/98/737516998.db2.gz CUYTWOXNUQVWRX-CABCVRRESA-N 0 1 354.834 2.525 20 10 FFCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H]2CCCC[C@@H]21 ZINC000769415674 737526066 /nfs/dbraw/zinc/52/60/66/737526066.db2.gz ZUOKMJHYQITDEH-KBPBESRZSA-N 0 1 374.300 2.696 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000769429297 737528845 /nfs/dbraw/zinc/52/88/45/737528845.db2.gz WYRCKYGBQXBUJM-GOSISDBHSA-N 0 1 353.532 2.566 20 10 FFCDMN CC(C)N1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004147 737863118 /nfs/dbraw/zinc/86/31/18/737863118.db2.gz GLOJEWAXXBZBTQ-CABCVRRESA-N 0 1 365.905 2.837 20 10 FFCDMN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527284 738099217 /nfs/dbraw/zinc/09/92/17/738099217.db2.gz PWQIXNIILMTWQB-HZPDHXFCSA-N 0 1 352.862 2.866 20 10 FFCDMN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Br)ccc1O ZINC000776014211 738152052 /nfs/dbraw/zinc/15/20/52/738152052.db2.gz QKRVXNLGKDIBFA-ZIAGYGMSSA-N 0 1 372.259 2.697 20 10 FFCDMN Cc1nn2cc(S(=O)(=O)Nc3ccc(O)c(C)c3)cnc2c1Cl ZINC000776747350 738229013 /nfs/dbraw/zinc/22/90/13/738229013.db2.gz CCQKFWXJGDTCTC-UHFFFAOYSA-N 0 1 352.803 2.506 20 10 FFCDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982948 739305846 /nfs/dbraw/zinc/30/58/46/739305846.db2.gz KSDLCAJUPSJDBK-KBPBESRZSA-N 0 1 353.894 2.694 20 10 FFCDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccc(OC)c(O)c1 ZINC000792181900 739648055 /nfs/dbraw/zinc/64/80/55/739648055.db2.gz VYSKCUPXKVXPIF-HNNXBMFYSA-N 0 1 351.786 2.764 20 10 FFCDMN COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(O)c1 ZINC000792181638 739648234 /nfs/dbraw/zinc/64/82/34/739648234.db2.gz UGXKDQOHOZZSAH-HNNXBMFYSA-N 0 1 369.776 2.903 20 10 FFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793360842 739773422 /nfs/dbraw/zinc/77/34/22/739773422.db2.gz AMIMLJMOQKLSGL-MRXNPFEDSA-N 0 1 356.806 2.724 20 10 FFCDMN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1 ZINC000794709307 739922180 /nfs/dbraw/zinc/92/21/80/739922180.db2.gz YIDMBYIEGZGIIT-ZROIWOOFSA-N 0 1 373.206 2.919 20 10 FFCDMN Cc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1C(C)C ZINC000802746048 740726680 /nfs/dbraw/zinc/72/66/80/740726680.db2.gz ZQUBAOUXSMCQHP-UHFFFAOYSA-N 0 1 366.527 2.824 20 10 FFCDMN Cc1cc(O)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1C(C)C ZINC000802746048 740726684 /nfs/dbraw/zinc/72/66/84/740726684.db2.gz ZQUBAOUXSMCQHP-UHFFFAOYSA-N 0 1 366.527 2.824 20 10 FFCDMN CC[C@H](C)NC(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804972418 740921595 /nfs/dbraw/zinc/92/15/95/740921595.db2.gz GLUUCPFCRMWPKP-VIFPVBQESA-N 0 1 362.257 2.803 20 10 FFCDMN Cc1cc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)on1 ZINC000805135441 740943786 /nfs/dbraw/zinc/94/37/86/740943786.db2.gz LVMYBUZPBSAAQH-UHFFFAOYSA-N 0 1 351.211 2.615 20 10 FFCDMN C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805191523 740948619 /nfs/dbraw/zinc/94/86/19/740948619.db2.gz IRINUVJZGVTCSP-BXKDBHETSA-N 0 1 363.241 2.692 20 10 FFCDMN Cc1sc(=O)n(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807840086 741163556 /nfs/dbraw/zinc/16/35/56/741163556.db2.gz XSBHYXDITDWEAZ-UHFFFAOYSA-N 0 1 361.250 2.855 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000809712234 741336006 /nfs/dbraw/zinc/33/60/06/741336006.db2.gz GREBNGXRMWUYAB-UHFFFAOYSA-N 0 1 363.259 2.835 20 10 FFCDMN CC[C@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)S1(=O)=O ZINC000809725178 741337460 /nfs/dbraw/zinc/33/74/60/741337460.db2.gz KUVISXBSHYXQCA-JQWIXIFHSA-N 0 1 362.289 2.552 20 10 FFCDMN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ncc(Br)cn1 ZINC000814301757 741810701 /nfs/dbraw/zinc/81/07/01/741810701.db2.gz DCPAIXDMSSXGFP-MRVPVSSYSA-N 0 1 353.176 2.704 20 10 FFCDMN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000825045852 743201138 /nfs/dbraw/zinc/20/11/38/743201138.db2.gz MRQXJWVDAQBFKS-CJNGLKHVSA-N 0 1 366.259 2.898 20 10 FFCDMN Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825137574 743217273 /nfs/dbraw/zinc/21/72/73/743217273.db2.gz BITYVVXPJVUDKX-OAHLLOKOSA-N 0 1 366.255 2.993 20 10 FFCDMN CCN1CCN(CC(C)(C)[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000825275447 743239228 /nfs/dbraw/zinc/23/92/28/743239228.db2.gz NOOHAQALKXBRMB-UHFFFAOYSA-N 0 1 370.335 2.660 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@]12CCCO2 ZINC000825514653 743285832 /nfs/dbraw/zinc/28/58/32/743285832.db2.gz REXXLCJJHXIWMB-XHSDSOJGSA-N 0 1 356.260 2.971 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000825943747 743346678 /nfs/dbraw/zinc/34/66/78/743346678.db2.gz JYWLAIICNGBNTL-BBRMVZONSA-N 0 1 350.212 2.739 20 10 FFCDMN COc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(OC)n1 ZINC000825955348 743348502 /nfs/dbraw/zinc/34/85/02/743348502.db2.gz KXFBBOQNKIIQLK-UHFFFAOYSA-N 0 1 353.216 2.857 20 10 FFCDMN CN(C)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000827118608 743510979 /nfs/dbraw/zinc/51/09/79/743510979.db2.gz DKMGOKNECBCJGC-INIZCTEOSA-N 0 1 357.420 2.678 20 10 FFCDMN O=C1OCCN1C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000827733522 744967419 /nfs/dbraw/zinc/96/74/19/744967419.db2.gz HHRUTANJBRMWOE-UHFFFAOYSA-N 0 1 355.232 2.571 20 10 FFCDMN O=C1OCCN1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000827733522 744967426 /nfs/dbraw/zinc/96/74/26/744967426.db2.gz HHRUTANJBRMWOE-UHFFFAOYSA-N 0 1 355.232 2.571 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1[O-] ZINC000830106135 745307786 /nfs/dbraw/zinc/30/77/86/745307786.db2.gz SCEGFMIOONGVQV-LBPRGKRZSA-N 0 1 352.818 2.522 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1[O-] ZINC000830106135 745307790 /nfs/dbraw/zinc/30/77/90/745307790.db2.gz SCEGFMIOONGVQV-LBPRGKRZSA-N 0 1 352.818 2.522 20 10 FFCDMN C[C@@H]1C[C@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000831543300 745544881 /nfs/dbraw/zinc/54/48/81/745544881.db2.gz DKJXMZZJIXWEIH-LDYMZIIASA-N 0 1 354.255 2.686 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(Br)cc1[O-] ZINC000834850961 745914106 /nfs/dbraw/zinc/91/41/06/745914106.db2.gz RHUHWVIEJGWHGE-OCCSQVGLSA-N 0 1 357.292 2.652 20 10 FFCDMN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1[O-] ZINC000834894091 745921312 /nfs/dbraw/zinc/92/13/12/745921312.db2.gz YZJLHRVKIPCEHW-FPMFFAJLSA-N 0 1 355.276 2.669 20 10 FFCDMN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1[O-] ZINC000834915717 745923854 /nfs/dbraw/zinc/92/38/54/745923854.db2.gz TWEULDLOVSHBRC-VHRBIJSZSA-N 0 1 353.260 2.959 20 10 FFCDMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840908712 747221795 /nfs/dbraw/zinc/22/17/95/747221795.db2.gz YUGOSJAGJCFWSH-UHFFFAOYSA-N 0 1 374.915 2.792 20 10 FFCDMN COc1cc(NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)ccc1O ZINC000840913136 747222699 /nfs/dbraw/zinc/22/26/99/747222699.db2.gz BJQWWFCLCRRMAS-UHFFFAOYSA-N 0 1 361.379 2.615 20 10 FFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977396 747249606 /nfs/dbraw/zinc/24/96/06/747249606.db2.gz KMKZPRDWSWGJMT-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977396 747249608 /nfs/dbraw/zinc/24/96/08/747249608.db2.gz KMKZPRDWSWGJMT-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN C[C@@H](N)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841076301 747264607 /nfs/dbraw/zinc/26/46/07/747264607.db2.gz CWLFPVCGRIIWMP-RQJHMYQMSA-N 0 1 352.070 2.743 20 10 FFCDMN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745235 747447530 /nfs/dbraw/zinc/44/75/30/747447530.db2.gz OKGGTKRNFKWALG-ZDUSSCGKSA-N 0 1 368.886 2.816 20 10 FFCDMN COCc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000844663603 748069369 /nfs/dbraw/zinc/06/93/69/748069369.db2.gz LNOGADPMUQCJDW-UHFFFAOYSA-N 0 1 365.407 2.501 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCSC[C@H]3CC(=O)[O-])cc2)CC1 ZINC000846274537 748447373 /nfs/dbraw/zinc/44/73/73/748447373.db2.gz MFQSALWYQOVRIE-QGZVFWFLSA-N 0 1 364.511 2.694 20 10 FFCDMN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848569481 748962353 /nfs/dbraw/zinc/96/23/53/748962353.db2.gz FDSQQHFTYSPZEN-BXKDBHETSA-N 0 1 355.232 2.789 20 10 FFCDMN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848569485 748962679 /nfs/dbraw/zinc/96/26/79/748962679.db2.gz FDSQQHFTYSPZEN-SKDRFNHKSA-N 0 1 355.232 2.789 20 10 FFCDMN COc1ccc(N2CC[C@@H](NCc3ncc(C4OCCO4)s3)C2)cc1 ZINC000850345978 749346455 /nfs/dbraw/zinc/34/64/55/749346455.db2.gz AYMIQTRRSITZTP-CYBMUJFWSA-N 0 1 361.467 2.566 20 10 FFCDMN CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275893026 1013150058 /nfs/dbraw/zinc/15/00/58/1013150058.db2.gz NWIYFKOIUWMUGO-BLLLJJGKSA-N 0 1 364.873 2.741 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1ccc(F)cc1O ZINC001603242515 972391432 /nfs/dbraw/zinc/39/14/32/972391432.db2.gz HFDRRXZEKSLFJO-XZOAIXRZSA-N 0 1 372.396 2.609 20 10 FFCDMN COc1cccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000049740681 960323964 /nfs/dbraw/zinc/32/39/64/960323964.db2.gz KFSWFXNHALCVLF-UHFFFAOYSA-N 0 1 367.493 2.696 20 10 FFCDMN COc1cc(O)c(CN2CCc3cccc(NC(C)=O)c3C2)cc1OC ZINC000872661270 1013245305 /nfs/dbraw/zinc/24/53/05/1013245305.db2.gz NQDKEEHEKQLIST-UHFFFAOYSA-N 0 1 356.422 2.926 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)c3ccccc32)N(C)C)cc1 ZINC000891246736 962565680 /nfs/dbraw/zinc/56/56/80/962565680.db2.gz CMORWTQESWIFIQ-VQTJNVASSA-N 0 1 365.477 2.842 20 10 FFCDMN CN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001276085413 1013431763 /nfs/dbraw/zinc/43/17/63/1013431763.db2.gz ICIQSCZVKGWOKD-DYESRHJHSA-N 0 1 354.425 2.979 20 10 FFCDMN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001279108799 964330860 /nfs/dbraw/zinc/33/08/60/964330860.db2.gz WFKKITPDEZMSHI-IRXDYDNUSA-N 0 1 362.424 2.736 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894753241 965667311 /nfs/dbraw/zinc/66/73/11/965667311.db2.gz RUKOYUBOWXPNJN-GJZGRUSLSA-N 0 1 370.396 2.540 20 10 FFCDMN C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161390398 966921801 /nfs/dbraw/zinc/92/18/01/966921801.db2.gz GBQLFAROSZEDDK-YLJYHZDGSA-N 0 1 359.514 2.792 20 10 FFCDMN C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000161390398 966921810 /nfs/dbraw/zinc/92/18/10/966921810.db2.gz GBQLFAROSZEDDK-YLJYHZDGSA-N 0 1 359.514 2.792 20 10 FFCDMN CCOC(=O)c1nc2ccc(NCCc3cc(O)c(O)cc3O)cc2[nH]1 ZINC001168013826 967995108 /nfs/dbraw/zinc/99/51/08/967995108.db2.gz KQPNITCUCJCBFG-UHFFFAOYSA-N 0 1 357.366 2.511 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000124864431 1013778811 /nfs/dbraw/zinc/77/88/11/1013778811.db2.gz YGDPKDWPGQDHOT-AWEZNQCLSA-N 0 1 371.485 2.626 20 10 FFCDMN COc1c(O)ccc(CNCc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000892732780 970262007 /nfs/dbraw/zinc/26/20/07/970262007.db2.gz LNPYWKFIPDBHNR-UHFFFAOYSA-N 0 1 357.410 2.981 20 10 FFCDMN COCCNC(=O)C1(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840824629 973384905 /nfs/dbraw/zinc/38/49/05/973384905.db2.gz MATXQYDVSIAUPZ-HNNXBMFYSA-N 0 1 363.477 2.762 20 10 FFCDMN COc1cc(C)cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000125715296 975320691 /nfs/dbraw/zinc/32/06/91/975320691.db2.gz OJZSMGQCCNDSGL-UHFFFAOYSA-N 0 1 357.410 2.940 20 10 FFCDMN Cc1cc(CN)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000876872864 1014407099 /nfs/dbraw/zinc/40/70/99/1014407099.db2.gz PCCGMHFILFCWLN-SFHVURJKSA-N 0 1 371.481 2.934 20 10 FFCDMN OC1CCN(c2ccc(CN3CCN(c4ccc(F)cn4)CC3)cc2)CC1 ZINC000877525986 1014613392 /nfs/dbraw/zinc/61/33/92/1014613392.db2.gz DDNJIDCFDSHLIX-UHFFFAOYSA-N 0 1 370.472 2.504 20 10 FFCDMN CC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC001596433661 984106353 /nfs/dbraw/zinc/10/63/53/984106353.db2.gz AABPCTDNKQQXQV-UHFFFAOYSA-N 0 1 369.465 2.613 20 10 FFCDMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068463165 991438210 /nfs/dbraw/zinc/43/82/10/991438210.db2.gz ZJFGSJMPGREFSF-OAHLLOKOSA-N 0 1 371.485 2.548 20 10 FFCDMN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(I)c1O ZINC001237781637 992713487 /nfs/dbraw/zinc/71/34/87/992713487.db2.gz ZHOIXYSPPBWQNC-FZMZJTMJSA-N 0 1 372.250 2.523 20 10 FFCDMN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(I)c1[O-] ZINC001237781637 992713501 /nfs/dbraw/zinc/71/35/01/992713501.db2.gz ZHOIXYSPPBWQNC-FZMZJTMJSA-N 0 1 372.250 2.523 20 10 FFCDMN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(I)c1[O-] ZINC001237781637 992713504 /nfs/dbraw/zinc/71/35/04/992713504.db2.gz ZHOIXYSPPBWQNC-FZMZJTMJSA-N 0 1 372.250 2.523 20 10 FFCDMN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000880381074 1015822393 /nfs/dbraw/zinc/82/23/93/1015822393.db2.gz OTTXVCQQVRQATH-HXUWFJFHSA-N 0 1 359.397 2.666 20 10 FFCDMN CN1CCN(c2ccc(C[N@@H+](C)C3(C(=O)[O-])CCCCC3)cc2F)CC1 ZINC001598622661 994030949 /nfs/dbraw/zinc/03/09/49/994030949.db2.gz VEDNVCCWZHLLHL-UHFFFAOYSA-N 0 1 363.477 2.797 20 10 FFCDMN COc1c([O-])c(CN(CC[NH+](C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000809735844 994597824 /nfs/dbraw/zinc/59/78/24/994597824.db2.gz VNQOAGYEPOLIJT-UHFFFAOYSA-N 0 1 363.414 2.774 20 10 FFCDMN COc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1C ZINC001132899500 995185588 /nfs/dbraw/zinc/18/55/88/995185588.db2.gz WYPUATPWOCNRAZ-UHFFFAOYSA-N 0 1 353.466 2.685 20 10 FFCDMN CO[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C1CCCCC1 ZINC001132903189 995199684 /nfs/dbraw/zinc/19/96/84/995199684.db2.gz VVBDKEJJNPDWLF-FQEVSTJZSA-N 0 1 359.514 2.650 20 10 FFCDMN Cc1ccc(F)c(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001133123862 995332871 /nfs/dbraw/zinc/33/28/71/995332871.db2.gz ZXHLJRVQFNJULC-UHFFFAOYSA-N 0 1 371.456 2.581 20 10 FFCDMN COC(=O)c1c(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001598910936 997368324 /nfs/dbraw/zinc/36/83/24/997368324.db2.gz VLTFIJUREXJLRU-VXGBXAGGSA-N 0 1 362.401 2.647 20 10 FFCDMN COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(Br)c(F)cc1O ZINC001144299642 998286880 /nfs/dbraw/zinc/28/68/80/998286880.db2.gz DNMJFJNWLMMSRR-FOSCPWQOSA-N 0 1 360.223 2.672 20 10 FFCDMN CCO[C@@H]1C[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[N@H+]2C1 ZINC001144301499 998297043 /nfs/dbraw/zinc/29/70/43/998297043.db2.gz QAHGFFCCGZCNLP-QWHCGFSZSA-N 0 1 373.266 2.589 20 10 FFCDMN C[C@@H]1CN(C2CN(Cc3cc(Br)c(F)cc3O)C2)C[C@H](C)O1 ZINC001144308853 998307351 /nfs/dbraw/zinc/30/73/51/998307351.db2.gz ZWAGWTVIWSTQIZ-PHIMTYICSA-N 0 1 373.266 2.587 20 10 FFCDMN COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001598984090 998685163 /nfs/dbraw/zinc/68/51/63/998685163.db2.gz HXXIOKGJQCLDIX-BDAKNGLRSA-N 0 1 350.396 2.745 20 10 FFCDMN C[C@@H]1C[C@H](C)C[N@H+](CCN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594235084 998892824 /nfs/dbraw/zinc/89/28/24/998892824.db2.gz BRBYCADWGITYPL-OKILXGFUSA-N 0 1 354.878 2.910 20 10 FFCDMN C[C@@H]1C[C@H](C)CN(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594235084 998892828 /nfs/dbraw/zinc/89/28/28/998892828.db2.gz BRBYCADWGITYPL-OKILXGFUSA-N 0 1 354.878 2.910 20 10 FFCDMN C[C@@H]1C[C@H](C)CN(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001594235084 998892832 /nfs/dbraw/zinc/89/28/32/998892832.db2.gz BRBYCADWGITYPL-OKILXGFUSA-N 0 1 354.878 2.910 20 10 FFCDMN CN(C)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145134 999622743 /nfs/dbraw/zinc/62/27/43/999622743.db2.gz OJVJXFVYEHOMFF-MRXNPFEDSA-N 0 1 354.450 2.855 20 10 FFCDMN CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000738971062 999637205 /nfs/dbraw/zinc/63/72/05/999637205.db2.gz SFDWMHSYVQPTFC-UHFFFAOYSA-N 0 1 374.529 2.791 20 10 FFCDMN COc1ccc2c(c1)CCCCN2CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000766270806 999720196 /nfs/dbraw/zinc/72/01/96/999720196.db2.gz UQBQACVLGSATLF-UHFFFAOYSA-N 0 1 371.462 2.860 20 10 FFCDMN COc1ccc(N(C)CCN(C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000846052766 1000197672 /nfs/dbraw/zinc/19/76/72/1000197672.db2.gz SFVAFIQKTUYFFI-UHFFFAOYSA-N 0 1 353.470 2.923 20 10 FFCDMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252195 1000245555 /nfs/dbraw/zinc/24/55/55/1000245555.db2.gz VOVJWQIOWDIBKB-MRXNPFEDSA-N 0 1 368.437 2.895 20 10 FFCDMN CCOc1ccc(O)c(CN2CCN(c3cccc(OCC)n3)CC2)c1 ZINC000768894577 1000376433 /nfs/dbraw/zinc/37/64/33/1000376433.db2.gz ZLPOEDLRPUSOCY-UHFFFAOYSA-N 0 1 357.454 2.907 20 10 FFCDMN C[C@@H](CO)N[C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846701937 1000413503 /nfs/dbraw/zinc/41/35/03/1000413503.db2.gz JPUDGHIXPHCPLV-GUYCJALGSA-N 0 1 352.394 2.704 20 10 FFCDMN Cc1ccnc([C@H]2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846979875 1000514142 /nfs/dbraw/zinc/51/41/42/1000514142.db2.gz RKSYFLGCVMMSIS-IBGZPJMESA-N 0 1 366.509 2.904 20 10 FFCDMN O=[N+]([O-])c1cc(CN2CCC(OCCO)CC2)ccc1N1CCCCC1 ZINC000769537099 1000544678 /nfs/dbraw/zinc/54/46/78/1000544678.db2.gz HHBOFFBTBXNBKB-UHFFFAOYSA-N 0 1 363.458 2.558 20 10 FFCDMN Nc1nsc(N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1 ZINC000770302495 1000741316 /nfs/dbraw/zinc/74/13/16/1000741316.db2.gz GCSJDWKJFZEYCJ-UHFFFAOYSA-N 0 1 367.478 2.815 20 10 FFCDMN O=C(CNc1cc(Br)cc2cncn21)c1ccc(O)c(O)c1 ZINC001170321241 1003110378 /nfs/dbraw/zinc/11/03/78/1003110378.db2.gz YFFNOXKTLWROCO-UHFFFAOYSA-N 0 1 362.183 2.803 20 10 FFCDMN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC001203647984 1003439171 /nfs/dbraw/zinc/43/91/71/1003439171.db2.gz AYPYTIHAXNKMCJ-FZMZJTMJSA-N 0 1 353.260 2.597 20 10 FFCDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Br)ccc3[O-])CC[C@@H]21 ZINC001203647984 1003439173 /nfs/dbraw/zinc/43/91/73/1003439173.db2.gz AYPYTIHAXNKMCJ-FZMZJTMJSA-N 0 1 353.260 2.597 20 10 FFCDMN CCOC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000775079831 1003536225 /nfs/dbraw/zinc/53/62/25/1003536225.db2.gz INULLKFOIJSATF-OAQYLSRUSA-N 0 1 367.493 2.832 20 10 FFCDMN CCOC(=O)C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C[C@@H]1C ZINC001193612762 1004522918 /nfs/dbraw/zinc/52/29/18/1004522918.db2.gz SJEDWSWPBGSKSG-QWRGUYRKSA-N 0 1 355.818 2.803 20 10 FFCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001193612335 1004523677 /nfs/dbraw/zinc/52/36/77/1004523677.db2.gz NLHNIQLQFIIZSA-ZDUSSCGKSA-N 0 1 360.788 2.697 20 10 FFCDMN COc1cccnc1C(C)(C)CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633985 1004531261 /nfs/dbraw/zinc/53/12/61/1004531261.db2.gz NNCPMJAJNQOSLI-UHFFFAOYSA-N 0 1 350.802 2.862 20 10 FFCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001193603920 1004536596 /nfs/dbraw/zinc/53/65/96/1004536596.db2.gz SYDRBNNVMRIKCI-LBPRGKRZSA-N 0 1 366.845 2.616 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)Cc3cccc(F)c3)cc2F)CC1 ZINC000106702379 1005356554 /nfs/dbraw/zinc/35/65/54/1005356554.db2.gz SOTQPGLBNGIBEB-UHFFFAOYSA-N 0 1 373.447 2.966 20 10 FFCDMN Cc1cc(C(=O)CN2CC[C@H]3COC[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852664040 1006130362 /nfs/dbraw/zinc/13/03/62/1006130362.db2.gz BEEFOCVCFSCTMP-JKSUJKDBSA-N 0 1 357.429 2.779 20 10 FFCDMN C[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccncc1 ZINC000881851466 1006241820 /nfs/dbraw/zinc/24/18/20/1006241820.db2.gz VGGVNFCPOGFUCO-KRWDZBQOSA-N 0 1 352.482 2.643 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)CC[C@H]3CC(C)(C)CO3)cc2)CC1 ZINC000881849027 1006242758 /nfs/dbraw/zinc/24/27/58/1006242758.db2.gz MACWUDXUCHUXQH-IBGZPJMESA-N 0 1 359.514 2.650 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)Cc3cccc4cnccc43)cc2)CC1 ZINC000881854508 1006244363 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O=C(c1c(F)ccc(O)c1O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295406723 511394145 /nfs/dbraw/zinc/39/41/45/511394145.db2.gz WAAJRIMGIGBVRC-OAQYLSRUSA-N 0 1 370.424 2.975 20 10 FFCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295406723 511394148 /nfs/dbraw/zinc/39/41/48/511394148.db2.gz WAAJRIMGIGBVRC-OAQYLSRUSA-N 0 1 370.424 2.975 20 10 FFCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295406723 511394151 /nfs/dbraw/zinc/39/41/51/511394151.db2.gz WAAJRIMGIGBVRC-OAQYLSRUSA-N 0 1 370.424 2.975 20 10 FFCDMN COc1cc(O)c(CN2CCC[C@@H](Oc3ncccc3F)C2)cc1OC ZINC000365835667 511678008 /nfs/dbraw/zinc/67/80/08/511678008.db2.gz UVXUBNFITQQUTF-CQSZACIVSA-N 0 1 362.401 2.987 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000281013597 511688691 /nfs/dbraw/zinc/68/86/91/511688691.db2.gz YVIFNAPKOBIFSY-XUJVJEKNSA-N 0 1 358.276 2.840 20 10 FFCDMN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000374450524 512838573 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O=C([O-])C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000739796498 600315650 /nfs/dbraw/zinc/31/56/50/600315650.db2.gz IQPMHJKKIIPASZ-UHFFFAOYSA-N 0 1 363.797 2.904 20 10 FFCDMN Cn1cc([C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043663 601342992 /nfs/dbraw/zinc/34/29/92/601342992.db2.gz DUZQKABBLCJICV-SFHVURJKSA-N 0 1 367.405 2.551 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1O ZINC000825946663 601418880 /nfs/dbraw/zinc/41/88/80/601418880.db2.gz JZUGYRAXVIMPCB-CQSZACIVSA-N 0 1 355.818 2.704 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1OC ZINC000833888177 605500589 /nfs/dbraw/zinc/50/05/89/605500589.db2.gz WEVBYBXSYVCQEP-DZGCQCFKSA-N 0 1 364.442 2.764 20 10 FFCDMN COc1cccc(O)c1CN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826217515 608519067 /nfs/dbraw/zinc/51/90/67/608519067.db2.gz PWLRXWNEMWZWEN-UHFFFAOYSA-N 0 1 351.410 2.746 20 10 FFCDMN CCN(CC(=O)NCc1ccco1)Cc1cc(Br)ccc1O ZINC000076118487 728255416 /nfs/dbraw/zinc/25/54/16/728255416.db2.gz JNLCKPGHVACELL-UHFFFAOYSA-N 0 1 367.243 2.886 20 10 FFCDMN C[N@@H+](Cc1cccc(Br)c1[O-])CC(C)(C)CN1CCOCC1 ZINC000093769656 728477746 /nfs/dbraw/zinc/47/77/46/728477746.db2.gz PVHZQBOMABJISV-UHFFFAOYSA-N 0 1 371.319 2.945 20 10 FFCDMN CCC(CC)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106515307 728511006 /nfs/dbraw/zinc/51/10/06/728511006.db2.gz GNOYLLPXBZQIOG-UHFFFAOYSA-N 0 1 350.482 2.955 20 10 FFCDMN CC[C@@H](SC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000130044961 728714764 /nfs/dbraw/zinc/71/47/64/728714764.db2.gz OOKWGXYJADAGRA-QGZVFWFLSA-N 0 1 353.507 2.725 20 10 FFCDMN Cc1cc(C(=O)N2CCNCC2)c(C)n1-c1ccc(Br)cc1 ZINC000237697862 729562852 /nfs/dbraw/zinc/56/28/52/729562852.db2.gz SJPNGJHDOAFCQJ-UHFFFAOYSA-N 0 1 362.271 2.902 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000856592551 730346618 /nfs/dbraw/zinc/34/66/18/730346618.db2.gz KBVSGXKJOIIIGZ-KRWDZBQOSA-N 0 1 351.834 2.561 20 10 FFCDMN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000856592551 730346620 /nfs/dbraw/zinc/34/66/20/730346620.db2.gz KBVSGXKJOIIIGZ-KRWDZBQOSA-N 0 1 351.834 2.561 20 10 FFCDMN Cc1cccc(OC[C@@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858108222 730416751 /nfs/dbraw/zinc/41/67/51/730416751.db2.gz YEYUSVLOTXPPKI-HNNXBMFYSA-N 0 1 350.409 2.869 20 10 FFCDMN CCO[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)[C@@H]1n1cccn1 ZINC000858171121 730418656 /nfs/dbraw/zinc/41/86/56/730418656.db2.gz UPAWGCWLOJMZBR-NXHRZFHOSA-N 0 1 350.413 2.736 20 10 FFCDMN CCO[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241087 730493024 /nfs/dbraw/zinc/49/30/24/730493024.db2.gz GPTPQQFYHZIAMO-FUHWJXTLSA-N 0 1 366.889 2.941 20 10 FFCDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1c(O)cccc1Br ZINC000862234275 730679392 /nfs/dbraw/zinc/67/93/92/730679392.db2.gz JZERVYZMKJJOBM-CQSZACIVSA-N 0 1 355.276 2.988 20 10 FFCDMN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000862516623 730706095 /nfs/dbraw/zinc/70/60/95/730706095.db2.gz WDFUCZRKAKIXQT-RISCZKNCSA-N 0 1 372.259 2.603 20 10 FFCDMN CC(C)C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCNC1=O ZINC000868357124 731285602 /nfs/dbraw/zinc/28/56/02/731285602.db2.gz OIRWAGCKGTWHMJ-INIZCTEOSA-N 0 1 359.253 2.868 20 10 FFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[O-] ZINC000872150297 731734390 /nfs/dbraw/zinc/73/43/90/731734390.db2.gz ZHYAPXLIESRIEJ-ZWNOBZJWSA-N 0 1 350.768 2.817 20 10 FFCDMN O=S1(=O)CCCN1Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000877621376 732399626 /nfs/dbraw/zinc/39/96/26/732399626.db2.gz VLNKBRJOGQANFZ-UHFFFAOYSA-N 0 1 368.405 2.818 20 10 FFCDMN OC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000877694135 732415508 /nfs/dbraw/zinc/41/55/08/732415508.db2.gz ZUOFHNRQJSIYRA-GXSJLCMTSA-N 0 1 354.166 2.757 20 10 FFCDMN COC(=O)c1coc(CNCc2cc(Br)cc(OC)c2O)c1 ZINC000877698905 732415840 /nfs/dbraw/zinc/41/58/40/732415840.db2.gz QMBGAKHDVFCCNG-UHFFFAOYSA-N 0 1 370.199 2.833 20 10 FFCDMN COC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000782013879 738680495 /nfs/dbraw/zinc/68/04/95/738680495.db2.gz KMRSTUYXJZJFIX-OAHLLOKOSA-N 0 1 352.862 2.695 20 10 FFCDMN CSc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000882908982 733310203 /nfs/dbraw/zinc/31/02/03/733310203.db2.gz JPEKYNLVWFVORP-HNNXBMFYSA-N 0 1 359.495 2.993 20 10 FFCDMN CO[C@@H](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000782739717 738753060 /nfs/dbraw/zinc/75/30/60/738753060.db2.gz RQZFHOSVKADWOW-XJKSGUPXSA-N 0 1 354.878 2.941 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)C3(SC)CCC3)cc2F)CC1 ZINC000783321637 738799652 /nfs/dbraw/zinc/79/96/52/738799652.db2.gz HWQNYRSSXZXOCC-UHFFFAOYSA-N 0 1 365.518 2.870 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000714243489 734369001 /nfs/dbraw/zinc/36/90/01/734369001.db2.gz LXDVKERSZIOBMN-NQBHXWOUSA-N 0 1 362.289 2.771 20 10 FFCDMN COc1cccc(O)c1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000725849047 734396290 /nfs/dbraw/zinc/39/62/90/734396290.db2.gz SFUUVLJYPKCZBV-UHFFFAOYSA-N 0 1 355.843 2.618 20 10 FFCDMN O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732049105 734714228 /nfs/dbraw/zinc/71/42/28/734714228.db2.gz OLVGKACQEDGLTG-AWEZNQCLSA-N 0 1 362.817 2.847 20 10 FFCDMN O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732049105 734714230 /nfs/dbraw/zinc/71/42/30/734714230.db2.gz OLVGKACQEDGLTG-AWEZNQCLSA-N 0 1 362.817 2.847 20 10 FFCDMN C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025749 734788455 /nfs/dbraw/zinc/78/84/55/734788455.db2.gz GAEVRTLTWNZXDE-RKDXNWHRSA-N 0 1 368.268 2.547 20 10 FFCDMN C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894025749 734788460 /nfs/dbraw/zinc/78/84/60/734788460.db2.gz GAEVRTLTWNZXDE-RKDXNWHRSA-N 0 1 368.268 2.547 20 10 FFCDMN CCc1nsc(N2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894083035 734798063 /nfs/dbraw/zinc/79/80/63/734798063.db2.gz ASJWJEJEGBNIBO-UHFFFAOYSA-N 0 1 354.426 2.797 20 10 FFCDMN COC(=O)[C@@](C)(CCF)NCc1cc(Br)cc(F)c1O ZINC000895279198 734986191 /nfs/dbraw/zinc/98/61/91/734986191.db2.gz SECHVUMUTHGNQL-CYBMUJFWSA-N 0 1 352.175 2.675 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721666 735047728 /nfs/dbraw/zinc/04/77/28/735047728.db2.gz FXJWLWGESJBTGG-ZDUSSCGKSA-N 0 1 356.260 2.518 20 10 FFCDMN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc(Br)cc3[O-])O2)CO1 ZINC000895819656 735059805 /nfs/dbraw/zinc/05/98/05/735059805.db2.gz YRZWELWDXGJPOH-WPGHFRTFSA-N 0 1 356.260 2.971 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)COC(=O)N1 ZINC000896394030 735152306 /nfs/dbraw/zinc/15/23/06/735152306.db2.gz CWBBZAOSDVJSPL-MLGOLLRUSA-N 0 1 369.259 2.865 20 10 FFCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1 ZINC000743047178 735274322 /nfs/dbraw/zinc/27/43/22/735274322.db2.gz UCZAZHGNVTXQKX-UHFFFAOYSA-N 0 1 364.452 2.661 20 10 FFCDMN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756353516 736324689 /nfs/dbraw/zinc/32/46/89/736324689.db2.gz IEBXOALGDXNTDI-ZDUSSCGKSA-N 0 1 368.748 2.878 20 10 FFCDMN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Br)ccc1[O-] ZINC000756429732 736330588 /nfs/dbraw/zinc/33/05/88/736330588.db2.gz DNZAFLQWBNVKIZ-LLVKDONJSA-N 0 1 374.242 2.981 20 10 FFCDMN O=[N+]([O-])c1cc(CN[C@@H](CO)CC(F)(F)F)ccc1N1CCCCC1 ZINC000756994439 736382062 /nfs/dbraw/zinc/38/20/62/736382062.db2.gz RDXQKNRFJKMSHM-CYBMUJFWSA-N 0 1 361.364 2.988 20 10 FFCDMN C[C@@](O)(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000760451554 736640189 /nfs/dbraw/zinc/64/01/89/736640189.db2.gz NICUDGIHMZQOOR-OAHLLOKOSA-N 0 1 361.364 2.988 20 10 FFCDMN C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000763558492 736947588 /nfs/dbraw/zinc/94/75/88/736947588.db2.gz JNFWYXCQVSLDGR-IAQYHMDHSA-N 0 1 358.276 2.983 20 10 FFCDMN CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(Br)c1O ZINC000765975677 737179370 /nfs/dbraw/zinc/17/93/70/737179370.db2.gz IBRSPTVCCRJXFS-GFCCVEGCSA-N 0 1 372.332 2.603 20 10 FFCDMN CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(Br)c1[O-] ZINC000765975677 737179372 /nfs/dbraw/zinc/17/93/72/737179372.db2.gz IBRSPTVCCRJXFS-GFCCVEGCSA-N 0 1 372.332 2.603 20 10 FFCDMN CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(Br)c1[O-] ZINC000765975677 737179375 /nfs/dbraw/zinc/17/93/75/737179375.db2.gz IBRSPTVCCRJXFS-GFCCVEGCSA-N 0 1 372.332 2.603 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000768227198 737407603 /nfs/dbraw/zinc/40/76/03/737407603.db2.gz FQVMIIQKGKRXCB-UHFFFAOYSA-N 0 1 367.559 2.827 20 10 FFCDMN O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000769404679 737525396 /nfs/dbraw/zinc/52/53/96/737525396.db2.gz NWXHVPKRXSCPRE-AWEZNQCLSA-N 0 1 367.287 2.989 20 10 FFCDMN CC(C)[C@@](C)(O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771416458 737724807 /nfs/dbraw/zinc/72/48/07/737724807.db2.gz HGEURCRKXUPXBZ-CRAIPNDOSA-N 0 1 354.878 2.533 20 10 FFCDMN CN(C)S(=O)(=O)c1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921516812 737995756 /nfs/dbraw/zinc/99/57/56/737995756.db2.gz GNZDVCBDHCFPHN-UHFFFAOYSA-N 0 1 360.479 2.552 20 10 FFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000775287222 738078595 /nfs/dbraw/zinc/07/85/95/738078595.db2.gz VRYHEGNUYRTNOK-UHFFFAOYSA-N 0 1 358.375 2.528 20 10 FFCDMN CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000775499660 738097136 /nfs/dbraw/zinc/09/71/36/738097136.db2.gz SWPZPRNTFPAYKK-IUODEOHRSA-N 0 1 357.292 2.916 20 10 FFCDMN CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525181 738099327 /nfs/dbraw/zinc/09/93/27/738099327.db2.gz DSHGVHOXWDIVFT-GJZGRUSLSA-N 0 1 362.861 2.934 20 10 FFCDMN CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775552916 738101293 /nfs/dbraw/zinc/10/12/93/738101293.db2.gz YYYIWEYFRPBFDK-HUUCEWRRSA-N 0 1 358.276 2.983 20 10 FFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741735 738120229 /nfs/dbraw/zinc/12/02/29/738120229.db2.gz PZANGJMADPRIBT-BDJLRTHQSA-N 0 1 353.825 2.864 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922807599 738203913 /nfs/dbraw/zinc/20/39/13/738203913.db2.gz CTCRAEUXLJEXNL-CQSZACIVSA-N 0 1 356.260 2.973 20 10 FFCDMN COc1cc(Br)cc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777221072 738273143 /nfs/dbraw/zinc/27/31/43/738273143.db2.gz YUOWUFZJVVDALV-JTQLQIEISA-N 0 1 373.291 2.898 20 10 FFCDMN CCOC(=O)c1ccc(N2CC([NH2+]Cc3c([O-])cccc3Cl)C2)nc1 ZINC000784624717 738909341 /nfs/dbraw/zinc/90/93/41/738909341.db2.gz GPRVXPYJQVWPJV-UHFFFAOYSA-N 0 1 361.829 2.596 20 10 FFCDMN CC(C)(O)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787443204 739137318 /nfs/dbraw/zinc/13/73/18/739137318.db2.gz BNPMUEMKLGDBES-HNNXBMFYSA-N 0 1 354.878 2.677 20 10 FFCDMN CCS(=O)(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC000789958099 739399618 /nfs/dbraw/zinc/39/96/18/739399618.db2.gz OOURSKZAVVHJES-UHFFFAOYSA-N 0 1 368.386 2.559 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)c1[O-] ZINC000794716175 739923303 /nfs/dbraw/zinc/92/33/03/739923303.db2.gz BWGPNEDGOLSAPM-APPDUMDISA-N 0 1 360.841 2.995 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031276 740093903 /nfs/dbraw/zinc/09/39/03/740093903.db2.gz IXNKGPJRQKQZLI-WBMJQRKESA-N 0 1 356.260 2.925 20 10 FFCDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519566 740531246 /nfs/dbraw/zinc/53/12/46/740531246.db2.gz RTRPVQAPIJCYQO-XGIHMFCUSA-N 0 1 366.889 2.940 20 10 FFCDMN Cn1cc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)s2)cn1 ZINC000800793171 740549170 /nfs/dbraw/zinc/54/91/70/740549170.db2.gz IENYUNCQFRNTJD-OQLLNIDSSA-N 0 1 350.403 2.610 20 10 FFCDMN O=S(=O)(C[C@H]1CCCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805134888 740943638 /nfs/dbraw/zinc/94/36/38/740943638.db2.gz BBMSJTZZVAEGQM-VIFPVBQESA-N 0 1 354.255 2.545 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000805136394 740944090 /nfs/dbraw/zinc/94/40/90/740944090.db2.gz DQGBRLITBNJNKO-ZDUSSCGKSA-N 0 1 358.269 2.983 20 10 FFCDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805199310 740949238 /nfs/dbraw/zinc/94/92/38/740949238.db2.gz RJRWUAMWVAEQME-LKFCYVNXSA-N 0 1 358.269 2.981 20 10 FFCDMN CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136768 741042708 /nfs/dbraw/zinc/04/27/08/741042708.db2.gz CEXFMJCPDFIKFH-BBRMVZONSA-N 0 1 353.894 2.674 20 10 FFCDMN CCc1noc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511766 741138243 /nfs/dbraw/zinc/13/82/43/741138243.db2.gz VGMKKSRLIQXLED-UHFFFAOYSA-N 0 1 372.208 2.813 20 10 FFCDMN CC(C)CN1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807833516 741162337 /nfs/dbraw/zinc/16/23/37/741162337.db2.gz ARAWKYGIKVGDOZ-NSHDSACASA-N 0 1 359.253 2.820 20 10 FFCDMN CC(C)[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCCC1=O ZINC000807837553 741162901 /nfs/dbraw/zinc/16/29/01/741162901.db2.gz VHBISZUIGFSUHU-AWEZNQCLSA-N 0 1 359.253 2.962 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)C(=O)NC2=O ZINC000807835992 741162954 /nfs/dbraw/zinc/16/29/54/741162954.db2.gz DLHGYSZBODBBGQ-UHFFFAOYSA-N 0 1 365.172 2.513 20 10 FFCDMN Cn1nnc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000807839803 741163510 /nfs/dbraw/zinc/16/35/10/741163510.db2.gz RBYNUCSSHBMCDO-UHFFFAOYSA-N 0 1 351.193 2.911 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000809712637 741336039 /nfs/dbraw/zinc/33/60/39/741336039.db2.gz BFDTZPWRKBVIQU-UHFFFAOYSA-N 0 1 352.184 2.879 20 10 FFCDMN O=C([C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000809771947 741342097 /nfs/dbraw/zinc/34/20/97/741342097.db2.gz QLIHFLPXGJPLRA-CYBMUJFWSA-N 0 1 353.260 2.599 20 10 FFCDMN NC(=O)c1ccccc1NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811528783 741534547 /nfs/dbraw/zinc/53/45/47/741534547.db2.gz HSAJNIQFWYEZHG-UHFFFAOYSA-N 0 1 368.220 2.526 20 10 FFCDMN CC(C)OCc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)ccc1O ZINC000811705045 741550039 /nfs/dbraw/zinc/55/00/39/741550039.db2.gz NUYKXEBVHJYPRA-UHFFFAOYSA-N 0 1 371.846 2.749 20 10 FFCDMN CN1CCN(c2ccc(CNc3nc4cc(Cl)ccn4n3)cc2)CC1 ZINC000811840242 741566598 /nfs/dbraw/zinc/56/65/98/741566598.db2.gz UMVSUXUAINGMKA-UHFFFAOYSA-N 0 1 356.861 2.747 20 10 FFCDMN Cc1nnc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000811923917 741574001 /nfs/dbraw/zinc/57/40/01/741574001.db2.gz BBCWRVUUERJJMM-UHFFFAOYSA-N 0 1 361.254 2.901 20 10 FFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000815167141 741908081 /nfs/dbraw/zinc/90/80/81/741908081.db2.gz SDJBVPAMKAWNHQ-NUEKZKHPSA-N 0 1 366.259 2.860 20 10 FFCDMN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000816518639 742037392 /nfs/dbraw/zinc/03/73/92/742037392.db2.gz IMAXVQKBZPVGFA-UHFFFAOYSA-N 0 1 362.788 2.913 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000816667854 742052303 /nfs/dbraw/zinc/05/23/03/742052303.db2.gz YHCAHYOUZBWOKU-HOTGVXAUSA-N 0 1 356.260 2.564 20 10 FFCDMN CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2[O-])C1(C)C ZINC000825629496 743303584 /nfs/dbraw/zinc/30/35/84/743303584.db2.gz XWGLZIOHKQUZFV-GOEBONIOSA-N 0 1 358.276 2.810 20 10 FFCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544860 743598356 /nfs/dbraw/zinc/59/83/56/743598356.db2.gz MOKMYPHRKJCKCA-CYBMUJFWSA-N 0 1 370.291 2.651 20 10 FFCDMN CCn1cnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000830544791 745378340 /nfs/dbraw/zinc/37/83/40/745378340.db2.gz UBFLAXYXFMLXRO-OAHLLOKOSA-N 0 1 362.861 2.656 20 10 FFCDMN COC(=O)c1cnc(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000834383784 745828210 /nfs/dbraw/zinc/82/82/10/745828210.db2.gz WAHUXDXACXTIRG-CYBMUJFWSA-N 0 1 352.481 2.515 20 10 FFCDMN C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834850443 745913819 /nfs/dbraw/zinc/91/38/19/745913819.db2.gz MOIOWTSTQJPMJL-GXTWGEPZSA-N 0 1 357.292 2.652 20 10 FFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834892918 745921359 /nfs/dbraw/zinc/92/13/59/745921359.db2.gz XKOKTWFVFGZUJM-OAHLLOKOSA-N 0 1 361.891 2.680 20 10 FFCDMN Cc1nc(F)ccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144082 746787474 /nfs/dbraw/zinc/78/74/74/746787474.db2.gz FZEZZFVQNSREMM-UHFFFAOYSA-N 0 1 351.372 2.934 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000840882806 747212118 /nfs/dbraw/zinc/21/21/18/747212118.db2.gz BZGJUFBJXFRAFQ-QGZVFWFLSA-N 0 1 356.919 2.652 20 10 FFCDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840888730 747213513 /nfs/dbraw/zinc/21/35/13/747213513.db2.gz BVRSZUDOCYAHDY-KGLIPLIRSA-N 0 1 353.894 2.740 20 10 FFCDMN CCN(Cc1nc(C(C)(C)N)no1)Cc1cc(Br)ccc1O ZINC000843359555 747817049 /nfs/dbraw/zinc/81/70/49/747817049.db2.gz WLGJLTIFKKOWCZ-UHFFFAOYSA-N 0 1 369.263 2.754 20 10 FFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843433124 747836975 /nfs/dbraw/zinc/83/69/75/747836975.db2.gz UIWQDNWHMFQPAV-CQSZACIVSA-N 0 1 350.768 2.854 20 10 FFCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843433124 747836981 /nfs/dbraw/zinc/83/69/81/747836981.db2.gz UIWQDNWHMFQPAV-CQSZACIVSA-N 0 1 350.768 2.854 20 10 FFCDMN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000850341296 749345039 /nfs/dbraw/zinc/34/50/39/749345039.db2.gz GCAAUSAEANXSNA-KRWDZBQOSA-N 0 1 365.857 2.764 20 10 FFCDMN COc1ccc(N2CC[C@H](NCc3ncc(C4OCCO4)s3)C2)cc1 ZINC000850345979 749346347 /nfs/dbraw/zinc/34/63/47/749346347.db2.gz AYMIQTRRSITZTP-ZDUSSCGKSA-N 0 1 361.467 2.566 20 10 FFCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])[C@@]1(O)CCCOC1 ZINC000850400875 749359867 /nfs/dbraw/zinc/35/98/67/749359867.db2.gz PNWUGYRXUUYYNA-MRXNPFEDSA-N 0 1 358.276 2.812 20 10 FFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000840377200 971185921 /nfs/dbraw/zinc/18/59/21/971185921.db2.gz PNGBAZIMRQGSRP-GDBMZVCRSA-N 0 1 355.486 2.572 20 10 FFCDMN O=C1N(Cc2ncccn2)CC[C@@]12CCCN2Cc1c(O)cccc1Cl ZINC001275837637 1013067663 /nfs/dbraw/zinc/06/76/63/1013067663.db2.gz KVXJVRIWUNENOA-IBGZPJMESA-N 0 1 372.856 2.603 20 10 FFCDMN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)c(O)c1 ZINC001167762585 971924439 /nfs/dbraw/zinc/92/44/39/971924439.db2.gz PIXLHFJYGTZWKN-UHFFFAOYSA-N 0 1 360.841 2.937 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275894681 1013159547 /nfs/dbraw/zinc/15/95/47/1013159547.db2.gz AHPINFAQRWEVMZ-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001275894681 1013159551 /nfs/dbraw/zinc/15/95/51/1013159551.db2.gz AHPINFAQRWEVMZ-GOSISDBHSA-N 0 1 361.829 2.658 20 10 FFCDMN CN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276038344 1013351417 /nfs/dbraw/zinc/35/14/17/1013351417.db2.gz URVAICXYUYGLRD-UTKZUKDTSA-N 0 1 354.425 2.979 20 10 FFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C=O)ccc2F)N(C)C)cc1 ZINC000891246871 962567549 /nfs/dbraw/zinc/56/75/49/962567549.db2.gz QQEPCNNWUZHHKA-LJQANCHMSA-N 0 1 357.429 2.737 20 10 FFCDMN C[C@@H]1Oc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2NC1=O ZINC001167434386 963177729 /nfs/dbraw/zinc/17/77/29/963177729.db2.gz LASJHFXYVFESGC-HNNXBMFYSA-N 0 1 366.465 2.770 20 10 FFCDMN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894753243 965666952 /nfs/dbraw/zinc/66/69/52/965666952.db2.gz RUKOYUBOWXPNJN-LSDHHAIUSA-N 0 1 370.396 2.540 20 10 FFCDMN COc1ccc(CNc2ccc(CCN3CCOCC3)cc2)c(O)c1OC ZINC000892270999 966678693 /nfs/dbraw/zinc/67/86/93/966678693.db2.gz NGUVVGXEICQUNU-UHFFFAOYSA-N 0 1 372.465 2.896 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccoc3)cc2F)CC1 ZINC000177239725 969141825 /nfs/dbraw/zinc/14/18/25/969141825.db2.gz IWWPCAUHBIBVFF-UHFFFAOYSA-N 0 1 359.445 2.810 20 10 FFCDMN COc1ccc(N2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)CC2)cc1 ZINC000892675121 969793980 /nfs/dbraw/zinc/79/39/80/969793980.db2.gz VEMNMJOLYBZSBI-PMACEKPBSA-N 0 1 372.513 2.542 20 10 FFCDMN COc1cccc([C@H](CNC(=O)N2Cc3cccc(O)c3C2)N(C)C)c1 ZINC000875003093 1013944756 /nfs/dbraw/zinc/94/47/56/1013944756.db2.gz MRJKEPYVZAQUPN-SFHVURJKSA-N 0 1 355.438 2.729 20 10 FFCDMN COCCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000892728418 970257953 /nfs/dbraw/zinc/25/79/53/970257953.db2.gz CPONCNAVYWCBJG-MRXNPFEDSA-N 0 1 360.454 2.992 20 10 FFCDMN Cn1ccnc1CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093108234 973217614 /nfs/dbraw/zinc/21/76/14/973217614.db2.gz FJCVIUSCUWKRCG-UHFFFAOYSA-N 0 1 353.514 2.728 20 10 FFCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3c3nnc[nH]3)ccc21 ZINC000899102306 976910756 /nfs/dbraw/zinc/91/07/56/976910756.db2.gz KQLCNXJHHRZXCZ-SFHVURJKSA-N 0 1 367.453 3.000 20 10 FFCDMN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877519122 1014609542 /nfs/dbraw/zinc/60/95/42/1014609542.db2.gz IDZIUKMQKJLOIS-ZIAGYGMSSA-N 0 1 370.396 2.540 20 10 FFCDMN COc1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1Cn1cccn1 ZINC000877647977 1014660011 /nfs/dbraw/zinc/66/00/11/1014660011.db2.gz KFCRXTVBWMFVLA-OAQYLSRUSA-N 0 1 367.449 2.643 20 10 FFCDMN CO[C@H]1C[C@H]2CN(Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688863 1014682784 /nfs/dbraw/zinc/68/27/84/1014682784.db2.gz WIISUWIELCXIQZ-PMACEKPBSA-N 0 1 352.482 2.757 20 10 FFCDMN C[C@@H]1C[C@@H](CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC001212054488 981478589 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GMABSYZOUNRHRZ-MOPGFXCFSA-N 0 1 370.440 2.816 20 10 FFCDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850251 1044674139 /nfs/dbraw/zinc/67/41/39/1044674139.db2.gz UURIKAQRSYDXGS-HUUCEWRRSA-N 0 1 362.474 2.978 20 10 FFCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC001318432929 1045299188 /nfs/dbraw/zinc/29/91/88/1045299188.db2.gz BECCVZBAMGEKHH-KRWDZBQOSA-N 0 1 374.916 2.723 20 10 FFCDMN COc1ccc(N2CCN(CCCNC(=O)c3occ(C)c3C)CC2)cc1 ZINC001322036664 1045926399 /nfs/dbraw/zinc/92/63/99/1045926399.db2.gz AGQBDHCWZGTQMY-UHFFFAOYSA-N 0 1 371.481 2.847 20 10 FFCDMN CCOc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288329847 1047449528 /nfs/dbraw/zinc/44/95/28/1047449528.db2.gz HBNPQUYYUGPCJV-UHFFFAOYSA-N 0 1 353.466 2.767 20 10 FFCDMN Cc1ccc(F)cc1C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289600536 1047707255 /nfs/dbraw/zinc/70/72/55/1047707255.db2.gz RRSXWOGXXYNNDO-IBGZPJMESA-N 0 1 371.456 2.802 20 10 FFCDMN 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/nfs/dbraw/zinc/30/86/78/1055308678.db2.gz FRFRMOOTVBKARS-UHFFFAOYSA-N 0 1 371.456 2.850 20 10 FFCDMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(N2CCOCC2)cc1 ZINC001544214800 1071613064 /nfs/dbraw/zinc/61/30/64/1071613064.db2.gz FCQMKAQTCMNCKZ-CQSZACIVSA-N 0 1 350.422 2.891 20 10 FFCDMN C[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])(c2ccccc2)CC1 ZINC001457954837 1060479262 /nfs/dbraw/zinc/47/92/62/1060479262.db2.gz APHBYXXXKQQBGA-UHFFFAOYSA-N 0 1 358.413 2.630 20 10 FFCDMN N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001521587722 1060993590 /nfs/dbraw/zinc/99/35/90/1060993590.db2.gz KWGOVLZPLDWTLS-LJQANCHMSA-N 0 1 363.461 2.939 20 10 FFCDMN Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(O)c1 ZINC001461929032 1061454271 /nfs/dbraw/zinc/45/42/71/1061454271.db2.gz VUXTUTRUDUMGJX-UHFFFAOYSA-N 0 1 357.429 2.596 20 10 FFCDMN O=S(=O)(NCc1cc(Cl)ccc1O)c1c(F)cc(F)cc1F ZINC001464024943 1062385557 /nfs/dbraw/zinc/38/55/57/1062385557.db2.gz HYSPCZDHWHFKCI-UHFFFAOYSA-N 0 1 351.733 2.941 20 10 FFCDMN CCN1CC[C@H]1CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001533431011 1063298390 /nfs/dbraw/zinc/29/83/90/1063298390.db2.gz RQPDAQACMQACIJ-HNNXBMFYSA-N 0 1 355.482 2.739 20 10 FFCDMN COc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)CCO4)C2=O)cc1 ZINC001474004484 1065438156 /nfs/dbraw/zinc/43/81/56/1065438156.db2.gz NOCBVVBDXKHAGW-LJQANCHMSA-N 0 1 352.434 2.521 20 10 FFCDMN Nc1ccc(CCNC(=O)c2cc(Br)cc(F)c2O)cc1 ZINC001580443660 1078805779 /nfs/dbraw/zinc/80/57/79/1078805779.db2.gz WRCUQDANRNHJNA-UHFFFAOYSA-N 0 1 353.191 2.849 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)cc1F ZINC001559642452 1076178974 /nfs/dbraw/zinc/17/89/74/1076178974.db2.gz PQXPHEQUQPLTQY-FXAWDEMLSA-N 0 1 364.461 2.685 20 10 FFCDMN Cc1cccc(C(=O)N2CCCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000029889868 507794287 /nfs/dbraw/zinc/79/42/87/507794287.db2.gz YXBRQKOCAPPJKR-UHFFFAOYSA-N 0 1 368.433 2.777 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092069558 508040170 /nfs/dbraw/zinc/04/01/70/508040170.db2.gz RWHDKVQZOGDOQH-GFCCVEGCSA-N 0 1 351.248 2.658 20 10 FFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092069558 508040173 /nfs/dbraw/zinc/04/01/73/508040173.db2.gz RWHDKVQZOGDOQH-GFCCVEGCSA-N 0 1 351.248 2.658 20 10 FFCDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)Cc1ccccc1O ZINC000111236492 508080953 /nfs/dbraw/zinc/08/09/53/508080953.db2.gz NOJBKQZOIDMVDX-UHFFFAOYSA-N 0 1 372.465 2.890 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC[C@H](n3cncn3)C2)c1O ZINC000180066603 509735598 /nfs/dbraw/zinc/73/55/98/509735598.db2.gz GRXWDWZQJXCCIS-AWEZNQCLSA-N 0 1 351.248 2.892 20 10 FFCDMN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000184958606 510605173 /nfs/dbraw/zinc/60/51/73/510605173.db2.gz HOGXZWLQSRDRIM-LLVKDONJSA-N 0 1 354.859 2.586 20 10 FFCDMN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC2 ZINC000185318137 510803536 /nfs/dbraw/zinc/80/35/36/510803536.db2.gz MNQUQRAQRZQHRN-CABZTGNLSA-N 0 1 351.248 2.720 20 10 FFCDMN C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1=CC[N@H+](C)CC1 ZINC000277314529 510961058 /nfs/dbraw/zinc/96/10/58/510961058.db2.gz CZGHSKXROPKORP-NSHDSACASA-N 0 1 368.275 2.604 20 10 FFCDMN C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1=CC[N@@H+](C)CC1 ZINC000277314529 510961061 /nfs/dbraw/zinc/96/10/61/510961061.db2.gz CZGHSKXROPKORP-NSHDSACASA-N 0 1 368.275 2.604 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273424181 511525758 /nfs/dbraw/zinc/52/57/58/511525758.db2.gz SZLISKBIEIRMSE-LLVKDONJSA-N 0 1 354.859 2.805 20 10 FFCDMN CN(C)c1ccc(CNCC(=O)NCC(F)(F)F)c(C(F)(F)F)c1 ZINC000280816902 511614585 /nfs/dbraw/zinc/61/45/85/511614585.db2.gz INPQGQAVNNDXLM-UHFFFAOYSA-N 0 1 357.298 2.540 20 10 FFCDMN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000284251872 511656122 /nfs/dbraw/zinc/65/61/22/511656122.db2.gz INKCUEJYIZHBHU-WBIUFABUSA-N 0 1 360.292 2.963 20 10 FFCDMN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1[O-] ZINC000363868495 511819416 /nfs/dbraw/zinc/81/94/16/511819416.db2.gz NJXIMQRITMRWBG-AAEUAGOBSA-N 0 1 365.275 2.818 20 10 FFCDMN Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000366403079 512002871 /nfs/dbraw/zinc/00/28/71/512002871.db2.gz SSTHQWYYWWLNPV-OAHLLOKOSA-N 0 1 363.845 2.665 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC[C@H]2C)C1 ZINC000435972258 513729861 /nfs/dbraw/zinc/72/98/61/513729861.db2.gz CFAVEYONLADAHU-VQIMIIECSA-N 0 1 369.509 2.949 20 10 FFCDMN COC[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000443999934 514095743 /nfs/dbraw/zinc/09/57/43/514095743.db2.gz VAZUXEDKTNQGKV-INIZCTEOSA-N 0 1 357.498 2.807 20 10 FFCDMN Cc1[n-][nH]c(=O)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000615223030 521319709 /nfs/dbraw/zinc/31/97/09/521319709.db2.gz WLYLYOHFCPXCIQ-UHFFFAOYSA-N 0 1 367.453 2.784 20 10 FFCDMN Cc1[n-][nH]c(=O)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000615223030 521319716 /nfs/dbraw/zinc/31/97/16/521319716.db2.gz WLYLYOHFCPXCIQ-UHFFFAOYSA-N 0 1 367.453 2.784 20 10 FFCDMN Oc1ccccc1C[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826511445 607502226 /nfs/dbraw/zinc/50/22/26/607502226.db2.gz QQTCLIQBZRPECD-UHFFFAOYSA-N 0 1 350.426 2.912 20 10 FFCDMN Oc1ccccc1C[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826511445 607502228 /nfs/dbraw/zinc/50/22/28/607502228.db2.gz QQTCLIQBZRPECD-UHFFFAOYSA-N 0 1 350.426 2.912 20 10 FFCDMN Oc1ccccc1C[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826511445 607502229 /nfs/dbraw/zinc/50/22/29/607502229.db2.gz QQTCLIQBZRPECD-UHFFFAOYSA-N 0 1 350.426 2.912 20 10 FFCDMN Oc1ccccc1C[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826511445 607502231 /nfs/dbraw/zinc/50/22/31/607502231.db2.gz QQTCLIQBZRPECD-UHFFFAOYSA-N 0 1 350.426 2.912 20 10 FFCDMN CN(C)c1ccc(C[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C2CC2)cc1 ZINC000830635873 604967835 /nfs/dbraw/zinc/96/78/35/604967835.db2.gz TUZMWRPKQOYSPL-UHFFFAOYSA-N 0 1 373.497 2.621 20 10 FFCDMN CCOC(=O)c1cnn2c1[nH]c(CN(CC)Cc1cccs1)cc2=O ZINC000076650974 728264262 /nfs/dbraw/zinc/26/42/62/728264262.db2.gz DVGKLVRAKGTKSU-UHFFFAOYSA-N 0 1 360.439 2.695 20 10 FFCDMN COCCOC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093339364 728475636 /nfs/dbraw/zinc/47/56/36/728475636.db2.gz WMMWIUUAQBKLRF-UHFFFAOYSA-N 0 1 374.275 2.791 20 10 FFCDMN CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000123579179 728660235 /nfs/dbraw/zinc/66/02/35/728660235.db2.gz VLGVFUYHLUQBEY-UHFFFAOYSA-N 0 1 355.276 2.845 20 10 FFCDMN C[C@@H](OCC1CC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262446 728729293 /nfs/dbraw/zinc/72/92/93/728729293.db2.gz QHRGJXFYBBPJJJ-CXAGYDPISA-N 0 1 366.889 2.941 20 10 FFCDMN Cc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000857159350 730381813 /nfs/dbraw/zinc/38/18/13/730381813.db2.gz NKOLIWMLWWAEMM-HNNXBMFYSA-N 0 1 362.861 2.780 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000858106991 730416804 /nfs/dbraw/zinc/41/68/04/730416804.db2.gz WPAPVNNEYJPBOK-GFCCVEGCSA-N 0 1 370.218 2.823 20 10 FFCDMN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858137953 730417520 /nfs/dbraw/zinc/41/75/20/730417520.db2.gz JGLFOEVPARRPJF-NEPJUHHUSA-N 0 1 355.276 2.891 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000858154820 730418025 /nfs/dbraw/zinc/41/80/25/730418025.db2.gz SDXHLVTYINJSFC-CYBMUJFWSA-N 0 1 354.219 2.987 20 10 FFCDMN O=C1NCCCN1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862248316 730681714 /nfs/dbraw/zinc/68/17/14/730681714.db2.gz KQJGTUAKPRDCBC-UHFFFAOYSA-N 0 1 368.275 2.534 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000862252828 730682725 /nfs/dbraw/zinc/68/27/25/730682725.db2.gz HQBJBQKEUYWEOW-UHFFFAOYSA-N 0 1 351.248 2.658 20 10 FFCDMN C[N@H+](CCCNC(=O)C1CCC1)Cc1c([O-])cccc1Br ZINC000862347514 730690477 /nfs/dbraw/zinc/69/04/77/730690477.db2.gz ZROMGLXDXVUPKM-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1c([O-])cccc1Br ZINC000862347514 730690478 /nfs/dbraw/zinc/69/04/78/730690478.db2.gz ZROMGLXDXVUPKM-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN CN(CCCNC(=O)C1CCC1)Cc1c(O)cccc1Br ZINC000862347514 730690479 /nfs/dbraw/zinc/69/04/79/730690479.db2.gz ZROMGLXDXVUPKM-UHFFFAOYSA-N 0 1 355.276 2.893 20 10 FFCDMN Oc1cccc(Br)c1CN1CCC(Oc2cnccn2)CC1 ZINC000862349947 730690593 /nfs/dbraw/zinc/69/05/93/730690593.db2.gz YRLGPAVNTZCOOC-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000862349947 730690595 /nfs/dbraw/zinc/69/05/95/730690595.db2.gz YRLGPAVNTZCOOC-UHFFFAOYSA-N 0 1 364.243 2.988 20 10 FFCDMN CC1=NC(=S)N[C@@H](c2cc(F)c(N(C)C)cc2F)C1C(=O)OC(C)C ZINC000863391734 730775600 /nfs/dbraw/zinc/77/56/00/730775600.db2.gz NTUGEEYJKQSLCW-HNNXBMFYSA-N 0 1 369.437 2.775 20 10 FFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865683949 730985680 /nfs/dbraw/zinc/98/56/80/730985680.db2.gz ZZTAUAULEZNHAV-NSHDSACASA-N 0 1 365.153 2.639 20 10 FFCDMN COCCn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000868357520 731285940 /nfs/dbraw/zinc/28/59/40/731285940.db2.gz ZSIJWZORIMPDMJ-UHFFFAOYSA-N 0 1 358.225 2.780 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048061 732001223 /nfs/dbraw/zinc/00/12/23/732001223.db2.gz IBQWREKBWHMJQJ-MNOVXSKESA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000874048061 732001224 /nfs/dbraw/zinc/00/12/24/732001224.db2.gz IBQWREKBWHMJQJ-MNOVXSKESA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048116 732001458 /nfs/dbraw/zinc/00/14/58/732001458.db2.gz KEEOTEDDCNGVLZ-ZYHUDNBSSA-N 0 1 367.808 2.609 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000874048116 732001462 /nfs/dbraw/zinc/00/14/62/732001462.db2.gz KEEOTEDDCNGVLZ-ZYHUDNBSSA-N 0 1 367.808 2.609 20 10 FFCDMN COc1ncc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000876966183 732304508 /nfs/dbraw/zinc/30/45/08/732304508.db2.gz QQTOWAFBRSSSTG-UHFFFAOYSA-N 0 1 351.447 2.542 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691611 732414873 /nfs/dbraw/zinc/41/48/73/732414873.db2.gz MOPDMEMBSKLUAY-UHFFFAOYSA-N 0 1 358.276 2.502 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877728462 732420667 /nfs/dbraw/zinc/42/06/67/732420667.db2.gz PKMREEXDFXJKRT-AWEZNQCLSA-N 0 1 356.260 2.830 20 10 FFCDMN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798773 732434520 /nfs/dbraw/zinc/43/45/20/732434520.db2.gz BYRWGFJBPOGPBT-KFWWJZLASA-N 0 1 366.889 2.677 20 10 FFCDMN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877798773 732434523 /nfs/dbraw/zinc/43/45/23/732434523.db2.gz BYRWGFJBPOGPBT-KFWWJZLASA-N 0 1 366.889 2.677 20 10 FFCDMN O=C1N[C@H](c2cccc(Br)c2O)N2CCc3ccccc3[C@H]12 ZINC000877855820 732445375 /nfs/dbraw/zinc/44/53/75/732445375.db2.gz KFSJFOIKSAASMP-ZBFHGGJFSA-N 0 1 359.223 2.883 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2nncn2CC1 ZINC000880003476 732816765 /nfs/dbraw/zinc/81/67/65/732816765.db2.gz HRPXENWZXBYCDH-VIFPVBQESA-N 0 1 355.225 2.559 20 10 FFCDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781901898 738669865 /nfs/dbraw/zinc/66/98/65/738669865.db2.gz WBBLUJNLBDLBLG-CYBMUJFWSA-N 0 1 355.276 2.811 20 10 FFCDMN CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)ccc1[O-] ZINC000927134488 738695238 /nfs/dbraw/zinc/69/52/38/738695238.db2.gz IWJRHMMBUZHAFA-WFASDCNBSA-N 0 1 354.248 2.663 20 10 FFCDMN Cn1cnnc1[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000894075720 734797064 /nfs/dbraw/zinc/79/70/64/734797064.db2.gz IEHFMEHMAJNGRR-LBPRGKRZSA-N 0 1 355.211 2.759 20 10 FFCDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894535087 734875853 /nfs/dbraw/zinc/87/58/53/734875853.db2.gz WQCUVMKFDBBLPT-GXTWGEPZSA-N 0 1 372.234 2.864 20 10 FFCDMN CCS(=O)(=O)c1ccc(CNCc2cc(C)cc(OC)c2O)s1 ZINC000894598012 734885008 /nfs/dbraw/zinc/88/50/08/734885008.db2.gz VVDFUAMCFSFWKI-UHFFFAOYSA-N 0 1 355.481 2.854 20 10 FFCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894632179 734892029 /nfs/dbraw/zinc/89/20/29/734892029.db2.gz XAKLHTWAOHSMEF-MEBBXXQBSA-N 0 1 360.223 2.674 20 10 FFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000894737971 734907738 /nfs/dbraw/zinc/90/77/38/734907738.db2.gz LSVUSOMPBFSOEB-OAHLLOKOSA-N 0 1 360.223 2.675 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+](CCO)C1CCSCC1 ZINC000894930150 734938480 /nfs/dbraw/zinc/93/84/80/734938480.db2.gz XXTUEIKEZKFRTQ-UHFFFAOYSA-N 0 1 364.280 2.984 20 10 FFCDMN CN1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CCC1=O ZINC000895389533 734999582 /nfs/dbraw/zinc/99/95/82/734999582.db2.gz PPKHPTPDKJDGAQ-LLVKDONJSA-N 0 1 361.667 2.861 20 10 FFCDMN COc1cc(Br)cc(CN2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000896240245 735123848 /nfs/dbraw/zinc/12/38/48/735123848.db2.gz PDWNUPCPHVCCKF-SNVBAGLBSA-N 0 1 368.231 2.844 20 10 FFCDMN C[C@]1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393052 735151814 /nfs/dbraw/zinc/15/18/14/735151814.db2.gz ILCHBBFUTNLZRL-BLLLJJGKSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)COC(=O)N1 ZINC000896393052 735151815 /nfs/dbraw/zinc/15/18/15/735151815.db2.gz ILCHBBFUTNLZRL-BLLLJJGKSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396764 735153008 /nfs/dbraw/zinc/15/30/08/735153008.db2.gz KYWMLQUDYLPPET-BDJLRTHQSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@]1([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396764 735153009 /nfs/dbraw/zinc/15/30/09/735153009.db2.gz KYWMLQUDYLPPET-BDJLRTHQSA-N 0 1 369.259 2.865 20 10 FFCDMN Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000787426448 739135751 /nfs/dbraw/zinc/13/57/51/739135751.db2.gz YQTDOKXDDPVEOL-ZLKJLUDKSA-N 0 1 353.260 2.549 20 10 FFCDMN CC(C)(C)OC(=O)NOCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000908211377 736740990 /nfs/dbraw/zinc/74/09/90/736740990.db2.gz ISDCDSCABPZOKP-UHFFFAOYSA-N 0 1 365.213 2.772 20 10 FFCDMN C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(Br)c1[O-] ZINC000769429173 737529138 /nfs/dbraw/zinc/52/91/38/737529138.db2.gz VMYXORIUEYRPLO-UHFFFAOYSA-N 0 1 369.284 2.964 20 10 FFCDMN C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000769986046 737588055 /nfs/dbraw/zinc/58/80/55/737588055.db2.gz GPQKHAABLFWVJP-MRVPVSSYSA-N 0 1 370.226 2.541 20 10 FFCDMN Cc1cc(Br)c(O)c(C[NH2+]C2(c3nnn[n-]3)CCCC2)c1 ZINC000770668312 737650608 /nfs/dbraw/zinc/65/06/08/737650608.db2.gz XYQOEUIKAGHXEI-UHFFFAOYSA-N 0 1 352.236 2.535 20 10 FFCDMN CS(=O)(=O)[C@H]1CCCCN(Cc2cccc(Br)c2O)C1 ZINC000775190648 738071397 /nfs/dbraw/zinc/07/13/97/738071397.db2.gz GKRTXBHGFOSTLB-LBPRGKRZSA-N 0 1 362.289 2.554 20 10 FFCDMN CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cc(Br)ccc1[O-] ZINC000775503133 738097808 /nfs/dbraw/zinc/09/78/08/738097808.db2.gz BYSHFGOWZBXBBK-HIFRSBDPSA-N 0 1 357.292 2.916 20 10 FFCDMN COc1ccc(N2CC[C@H](NCc3nc(Br)c[nH]3)C2)cc1 ZINC000922238064 738110529 /nfs/dbraw/zinc/11/05/29/738110529.db2.gz PVTBNAYSLQKDMF-NSHDSACASA-N 0 1 351.248 2.549 20 10 FFCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(OC)c(OC)cc1O ZINC000775721330 738117501 /nfs/dbraw/zinc/11/75/01/738117501.db2.gz WEKZQYDUMKDAOA-CVEARBPZSA-N 0 1 350.459 2.631 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000776015245 738152594 /nfs/dbraw/zinc/15/25/94/738152594.db2.gz ASLNXVGHDSJMBS-CYBMUJFWSA-N 0 1 356.850 2.771 20 10 FFCDMN CCCN(CCC)c1ccc(CN2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785980416 739016466 /nfs/dbraw/zinc/01/64/66/739016466.db2.gz YMDGDLCRXUIUHD-SFHVURJKSA-N 0 1 353.532 2.566 20 10 FFCDMN COC(=O)[C@H](CC(F)(F)F)NCc1cccc(Br)c1O ZINC000789580795 739369904 /nfs/dbraw/zinc/36/99/04/739369904.db2.gz OXJLEJBOGGCVNJ-VIFPVBQESA-N 0 1 356.138 2.738 20 10 FFCDMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000797819953 740275872 /nfs/dbraw/zinc/27/58/72/740275872.db2.gz YOQZHMNBZXDGQQ-UHFFFAOYSA-N 0 1 371.798 2.642 20 10 FFCDMN O=C(NCC(=O)N1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000804951893 740919848 /nfs/dbraw/zinc/91/98/48/740919848.db2.gz ZEDBWECTYCEQGF-UHFFFAOYSA-N 0 1 360.241 2.511 20 10 FFCDMN CC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805179605 740947691 /nfs/dbraw/zinc/94/76/91/740947691.db2.gz KLDBTQVETDIMDT-UHFFFAOYSA-N 0 1 360.241 2.509 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000805181322 740947993 /nfs/dbraw/zinc/94/79/93/740947993.db2.gz JAGQHMQTSSJTMC-JTQLQIEISA-N 0 1 358.269 2.983 20 10 FFCDMN CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136772 741042403 /nfs/dbraw/zinc/04/24/03/741042403.db2.gz CEXFMJCPDFIKFH-XJKSGUPXSA-N 0 1 353.894 2.674 20 10 FFCDMN Cc1nn(C)c(C)c1OCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836460 741162931 /nfs/dbraw/zinc/16/29/31/741162931.db2.gz XLWHFFAROKADAI-UHFFFAOYSA-N 0 1 358.225 2.745 20 10 FFCDMN C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835794 741162968 /nfs/dbraw/zinc/16/29/68/741162968.db2.gz KLZYUEVLAQCRDI-MRVPVSSYSA-N 0 1 357.193 2.727 20 10 FFCDMN COC(=O)CSCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685703 741749233 /nfs/dbraw/zinc/74/92/33/741749233.db2.gz OVURYCFPCLCHGV-UHFFFAOYSA-N 0 1 352.239 2.612 20 10 FFCDMN O=S(=O)(CCC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000814277708 741808606 /nfs/dbraw/zinc/80/86/06/741808606.db2.gz RTGMTTUANRVLGH-UHFFFAOYSA-N 0 1 368.282 2.935 20 10 FFCDMN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000818350133 742266034 /nfs/dbraw/zinc/26/60/34/742266034.db2.gz KBBIABSUYCLWNH-SNVBAGLBSA-N 0 1 350.278 2.630 20 10 FFCDMN COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000818357632 742266442 /nfs/dbraw/zinc/26/64/42/742266442.db2.gz COAZNKRLXGZYQQ-IUCAKERBSA-N 0 1 351.384 2.955 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824653920 743123124 /nfs/dbraw/zinc/12/31/24/743123124.db2.gz JMQGDOJXHQHDFG-GZBFAFLISA-N 0 1 356.260 2.517 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000824902626 743175714 /nfs/dbraw/zinc/17/57/14/743175714.db2.gz ZNZRIBKQDGUMHF-OAHLLOKOSA-N 0 1 356.260 2.925 20 10 FFCDMN COCCOc1ncccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825113723 743211117 /nfs/dbraw/zinc/21/11/17/743211117.db2.gz JQMDVAZNMJZZDH-UHFFFAOYSA-N 0 1 367.243 2.865 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000825892464 743339717 /nfs/dbraw/zinc/33/97/17/743339717.db2.gz GACCDKWTHBKUOG-CQSZACIVSA-N 0 1 352.784 2.707 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000826024193 743357592 /nfs/dbraw/zinc/35/75/92/743357592.db2.gz VFXKMDBWNWBTLH-JKSUJKDBSA-N 0 1 356.260 2.564 20 10 FFCDMN Cn1ccnc1[C@H](NCc1ccc(Br)cc1O)C(C)(C)CO ZINC000826049752 743362293 /nfs/dbraw/zinc/36/22/93/743362293.db2.gz YWMBQKYQDWEYGV-AWEZNQCLSA-N 0 1 368.275 2.738 20 10 FFCDMN COc1cc(Br)cc(CN2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826780366 743440970 /nfs/dbraw/zinc/44/09/70/743440970.db2.gz KEORLNDTVFJPIT-UHFFFAOYSA-N 0 1 367.243 2.533 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310537 743552858 /nfs/dbraw/zinc/55/28/58/743552858.db2.gz PKRBHWAWGQQVCV-NAJQEWMASA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310537 743552862 /nfs/dbraw/zinc/55/28/62/743552862.db2.gz PKRBHWAWGQQVCV-NAJQEWMASA-N 0 1 364.873 2.719 20 10 FFCDMN O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310537 743552866 /nfs/dbraw/zinc/55/28/66/743552866.db2.gz PKRBHWAWGQQVCV-NAJQEWMASA-N 0 1 364.873 2.719 20 10 FFCDMN O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000827633740 744951481 /nfs/dbraw/zinc/95/14/81/744951481.db2.gz CRUSMUSVTOKQOA-GFCCVEGCSA-N 0 1 353.260 2.599 20 10 FFCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000827680882 744959612 /nfs/dbraw/zinc/95/96/12/744959612.db2.gz QVGMPFNXWWJIPY-CYBMUJFWSA-N 0 1 355.276 2.891 20 10 FFCDMN COc1ccc(O)c(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000827776560 744975364 /nfs/dbraw/zinc/97/53/64/744975364.db2.gz WKQIFSGJXPPBMW-HUUCEWRRSA-N 0 1 354.422 2.838 20 10 FFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937097 747234439 /nfs/dbraw/zinc/23/44/39/747234439.db2.gz HAXXLRLOZRVFRT-SNVBAGLBSA-N 0 1 350.768 2.854 20 10 FFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937097 747234444 /nfs/dbraw/zinc/23/44/44/747234444.db2.gz HAXXLRLOZRVFRT-SNVBAGLBSA-N 0 1 350.768 2.854 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744100 747446784 /nfs/dbraw/zinc/44/67/84/747446784.db2.gz DYFCEBKNQYQNEZ-LLVKDONJSA-N 0 1 354.859 2.805 20 10 FFCDMN CN1CCN(c2ccc(CNc3ccccc3C[S@@](C)=O)cc2)CC1 ZINC000843403471 747827388 /nfs/dbraw/zinc/82/73/88/747827388.db2.gz GOCSLJUZECTWLR-RUZDIDTESA-N 0 1 357.523 2.929 20 10 FFCDMN Cn1nc(C2CC2)nc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000843888373 747920232 /nfs/dbraw/zinc/92/02/32/747920232.db2.gz FSAWXVOKARJICR-UHFFFAOYSA-N 0 1 355.225 2.564 20 10 FFCDMN Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)on1 ZINC000845833779 748334478 /nfs/dbraw/zinc/33/44/78/748334478.db2.gz NUXQPAXRRWHETI-OAHLLOKOSA-N 0 1 363.845 2.665 20 10 FFCDMN CCc1cccc(CN2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000848883139 749028149 /nfs/dbraw/zinc/02/81/49/749028149.db2.gz KAEZPMBJSQQKCS-UHFFFAOYSA-N 0 1 350.413 2.864 20 10 FFCDMN COc1ccc(N2CC[C@H](NS(=O)(=O)c3c(F)cccc3F)C2)cc1 ZINC000849416421 749142902 /nfs/dbraw/zinc/14/29/02/749142902.db2.gz QZDOUEVKNRNPNQ-LBPRGKRZSA-N 0 1 368.405 2.531 20 10 FFCDMN CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850510154 749378272 /nfs/dbraw/zinc/37/82/72/749378272.db2.gz VPIBELGKIOBTAJ-GDBMZVCRSA-N 0 1 363.376 2.620 20 10 FFCDMN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850519160 749380791 /nfs/dbraw/zinc/38/07/91/749380791.db2.gz LGTKCWQEJSWCCQ-GFCCVEGCSA-N 0 1 352.422 2.770 20 10 FFCDMN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)c3cccc(Cl)c3)C2)cc1 ZINC000852899637 749971245 /nfs/dbraw/zinc/97/12/45/749971245.db2.gz AYWUJDSEEHTKHS-QAPCUYQASA-N 0 1 359.857 2.744 20 10 FFCDMN COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)Cc2ccccc21 ZINC000895660410 970819088 /nfs/dbraw/zinc/81/90/88/970819088.db2.gz QPIFBKAPRDUPCE-MRXNPFEDSA-N 0 1 357.406 2.682 20 10 FFCDMN CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001603106939 972181521 /nfs/dbraw/zinc/18/15/21/972181521.db2.gz JSGUNOABLPZTHV-RDJZCZTQSA-N 0 1 357.454 2.939 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccco3)cc2F)CC1 ZINC000255069305 961022696 /nfs/dbraw/zinc/02/26/96/961022696.db2.gz PDVHTEHPTOUTOP-VURMDHGXSA-N 0 1 357.429 2.890 20 10 FFCDMN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275956775 1013227073 /nfs/dbraw/zinc/22/70/73/1013227073.db2.gz MLKJKJAQBTWQEA-LJQANCHMSA-N 0 1 368.424 2.521 20 10 FFCDMN COc1ccc(CNCc2cccnc2N(C)C)cc1Cn1cccn1 ZINC000873012764 1013347474 /nfs/dbraw/zinc/34/74/74/1013347474.db2.gz XAUZKDACPAOBGV-UHFFFAOYSA-N 0 1 351.454 2.691 20 10 FFCDMN CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245343 962556817 /nfs/dbraw/zinc/55/68/17/962556817.db2.gz CVQTWQJTIUUSSC-QFBILLFUSA-N 0 1 371.529 2.882 20 10 FFCDMN CN1CCN(c2ccc(CNc3ncc(F)c4nccnc34)cc2)CC1 ZINC001167427107 963028857 /nfs/dbraw/zinc/02/88/57/963028857.db2.gz XXLKPTOYCYSKQN-UHFFFAOYSA-N 0 1 352.417 2.528 20 10 FFCDMN CC(C)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068548948 963668060 /nfs/dbraw/zinc/66/80/60/963668060.db2.gz XHPPFUKVRQMEBU-SFHVURJKSA-N 0 1 374.529 2.567 20 10 FFCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934558071 966698808 /nfs/dbraw/zinc/69/88/08/966698808.db2.gz WXXOHBIORUDRQU-INIZCTEOSA-N 0 1 369.513 2.716 20 10 FFCDMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000894970464 967131943 /nfs/dbraw/zinc/13/19/43/967131943.db2.gz YXDPBBJSETWTDD-AWEZNQCLSA-N 0 1 372.412 2.786 20 10 FFCDMN COc1ccc(N2CC[C@@H](NCc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000895310939 970303846 /nfs/dbraw/zinc/30/38/46/970303846.db2.gz SUBKRXCNJFIDJD-GOSISDBHSA-N 0 1 363.465 2.704 20 10 FFCDMN CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O ZINC000895415705 970598712 /nfs/dbraw/zinc/59/87/12/970598712.db2.gz XFZDGNRDNDLSCE-UHFFFAOYSA-N 0 1 364.348 2.512 20 10 FFCDMN OC1CCN(c2ccc(CNC[C@H](n3cccn3)C(F)(F)F)cc2)CC1 ZINC000877648989 1014660706 /nfs/dbraw/zinc/66/07/06/1014660706.db2.gz YWLBPFHVSUTHDR-KRWDZBQOSA-N 0 1 368.403 2.737 20 10 FFCDMN CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690777 1014684146 /nfs/dbraw/zinc/68/41/46/1014684146.db2.gz HJULJWJMMHBNFN-GJZGRUSLSA-N 0 1 361.392 2.675 20 10 FFCDMN Oc1ccc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000877706613 1014692606 /nfs/dbraw/zinc/69/26/06/1014692606.db2.gz HWWAMNXJAPCOTM-UHFFFAOYSA-N 0 1 367.493 2.547 20 10 FFCDMN Oc1cc(F)c(F)cc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001142520650 982529730 /nfs/dbraw/zinc/52/97/30/982529730.db2.gz NINYKADGJUQRHA-OXJNMPFZSA-N 0 1 366.452 2.993 20 10 FFCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001142520650 982529738 /nfs/dbraw/zinc/52/97/38/982529738.db2.gz NINYKADGJUQRHA-OXJNMPFZSA-N 0 1 366.452 2.993 20 10 FFCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001142520650 982529746 /nfs/dbraw/zinc/52/97/46/982529746.db2.gz NINYKADGJUQRHA-OXJNMPFZSA-N 0 1 366.452 2.993 20 10 FFCDMN COc1ccc(NC(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055897630 984394848 /nfs/dbraw/zinc/39/48/48/984394848.db2.gz VEYBLEIPRYPNOR-UHFFFAOYSA-N 0 1 369.465 2.855 20 10 FFCDMN CN(C)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000056342404 984431368 /nfs/dbraw/zinc/43/13/68/984431368.db2.gz IMIILJUHBFIALQ-LJQANCHMSA-N 0 1 358.461 2.994 20 10 FFCDMN CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000172606836 985626983 /nfs/dbraw/zinc/62/69/83/985626983.db2.gz ROJNLURDGJOBBX-UHFFFAOYSA-N 0 1 372.513 2.877 20 10 FFCDMN O=C(NCC(F)(F)F)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000914571199 987791395 /nfs/dbraw/zinc/79/13/95/987791395.db2.gz NHQBVSOWYUMPLU-UHFFFAOYSA-N 0 1 367.371 2.831 20 10 FFCDMN CCCN(CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1O ZINC000153371098 987925039 /nfs/dbraw/zinc/92/50/39/987925039.db2.gz JUEOZSZDSGUFQW-UHFFFAOYSA-N 0 1 356.382 2.886 20 10 FFCDMN 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/nfs/dbraw/zinc/70/57/80/1006705780.db2.gz AVHXTKIQLDMXQH-LJQANCHMSA-N 0 1 364.453 2.556 20 10 FFCDMN Cc1cnc([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883498887 1006821129 /nfs/dbraw/zinc/82/11/29/1006821129.db2.gz ACPNXWJZRKIQRZ-OAHLLOKOSA-N 0 1 373.526 2.764 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1[O-] ZINC001116211531 1032194246 /nfs/dbraw/zinc/19/42/46/1032194246.db2.gz HRSKZTWGEVIUJO-GFCCVEGCSA-N 0 1 350.846 2.739 20 10 FFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1[O-] ZINC001116211531 1032194255 /nfs/dbraw/zinc/19/42/55/1032194255.db2.gz HRSKZTWGEVIUJO-GFCCVEGCSA-N 0 1 350.846 2.739 20 10 FFCDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000816826066 1007220521 /nfs/dbraw/zinc/22/05/21/1007220521.db2.gz VSNFZGYYHYUEKO-KXBFYZLASA-N 0 1 368.481 2.571 20 10 FFCDMN CON(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858323204 1008346281 /nfs/dbraw/zinc/34/62/81/1008346281.db2.gz RIOURFJTWQAJAV-MRXNPFEDSA-N 0 1 353.466 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CN1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])c3cccs3)cc2)CC1 ZINC001117078381 1021558470 /nfs/dbraw/zinc/55/84/70/1021558470.db2.gz DGYBVLZHIPVCKZ-QGZVFWFLSA-N 0 1 359.495 2.806 20 10 FFCDMN Cc1c([O-])cc2c(c1O[C@@H]1CC[C@@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218113976 1033003296 /nfs/dbraw/zinc/00/32/96/1033003296.db2.gz AOVOWOUZNBMALL-VGSWGCGISA-N 0 1 363.413 2.997 20 10 FFCDMN CCC(CC)NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000042956048 1022204427 /nfs/dbraw/zinc/20/44/27/1022204427.db2.gz BNBDOMYPVKBONW-UHFFFAOYSA-N 0 1 362.518 2.695 20 10 FFCDMN CNC(=O)C1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000779174814 1023292549 /nfs/dbraw/zinc/29/25/49/1023292549.db2.gz CHBYHECPMOHDHU-UHFFFAOYSA-N 0 1 360.458 2.734 20 10 FFCDMN CC(C)n1cc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000754795473 1023518910 /nfs/dbraw/zinc/51/89/10/1023518910.db2.gz XVYOJZHYVIYEQP-MRXNPFEDSA-N 0 1 357.502 2.839 20 10 FFCDMN COc1ccc(N2CCN(C[C@@H](O)CSc3ccc(C)cn3)CC2)cc1 ZINC000758209054 1023964392 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FFCDMN O=C1NCCCC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001203645588 1030803915 /nfs/dbraw/zinc/80/39/15/1030803915.db2.gz MWSAGSKCXXHQSE-UHFFFAOYSA-N 0 1 353.260 2.647 20 10 FFCDMN Oc1ccc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1O ZINC001203877994 1030953070 /nfs/dbraw/zinc/95/30/70/1030953070.db2.gz NEGOHJZQFUJVOB-KRWDZBQOSA-N 0 1 356.422 2.695 20 10 FFCDMN CCc1occc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000797421977 1031105618 /nfs/dbraw/zinc/10/56/18/1031105618.db2.gz DVZCWPSUQYLXSV-UHFFFAOYSA-N 0 1 371.481 2.793 20 10 FFCDMN CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3ccc(O)cc3O)C2)c1 ZINC001204279998 1031207599 /nfs/dbraw/zinc/20/75/99/1031207599.db2.gz HYFLNFPNMSOYER-HNNXBMFYSA-N 0 1 361.463 2.881 20 10 FFCDMN CC[N@H+](CCCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC001204336460 1031235926 /nfs/dbraw/zinc/23/59/26/1031235926.db2.gz QFFNDOAPPIGPHO-UHFFFAOYSA-N 0 1 360.248 2.938 20 10 FFCDMN CC[N@@H+](CCCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC001204336460 1031235936 /nfs/dbraw/zinc/23/59/36/1031235936.db2.gz 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Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+](Cc2cccc(F)c2[O-])C3)n1 ZINC001138127238 1033807930 /nfs/dbraw/zinc/80/79/30/1033807930.db2.gz USROTLRDZOCUJE-UTKZUKDTSA-N 0 1 372.440 2.900 20 10 FFCDMN CC(C)CC(=O)N1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339527 1034170691 /nfs/dbraw/zinc/17/06/91/1034170691.db2.gz HBIQOZRJKMLNRZ-UHFFFAOYSA-N 0 1 371.525 2.781 20 10 FFCDMN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)c3ccccc3C)C2)cc1 ZINC000831748551 1034255414 /nfs/dbraw/zinc/25/54/14/1034255414.db2.gz GGEHEMSYSXZCQN-OXQOHEQNSA-N 0 1 353.466 2.646 20 10 FFCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc1OC ZINC001139106906 1034943326 /nfs/dbraw/zinc/94/33/26/1034943326.db2.gz RYYLRGKICUPSPU-UHFFFAOYSA-N 0 1 357.454 2.567 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139124708 1034954462 /nfs/dbraw/zinc/95/44/62/1034954462.db2.gz DGFFGQOHVDHIOP-ZDUSSCGKSA-N 0 1 374.437 2.906 20 10 FFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001139133719 1034962652 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[O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001233028501 1036267584 /nfs/dbraw/zinc/26/75/84/1036267584.db2.gz PEXMQHSMBFOKCY-AWEZNQCLSA-N 0 1 350.203 2.980 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2c(O)cc(Br)cc2F)C1)C1CC1 ZINC001233031366 1036269747 /nfs/dbraw/zinc/26/97/47/1036269747.db2.gz AKYAPHGLOAUYJO-GFCCVEGCSA-N 0 1 371.250 2.784 20 10 FFCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001233033870 1036276398 /nfs/dbraw/zinc/27/63/98/1036276398.db2.gz VNWXTOQSZYPVKH-LLVKDONJSA-N 0 1 368.206 2.737 20 10 FFCDMN O=C1[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]2CN1c1ccsc1 ZINC001233077724 1036327450 /nfs/dbraw/zinc/32/74/50/1036327450.db2.gz TUMJNDNXBRSJGR-AAEUAGOBSA-N 0 1 350.390 2.827 20 10 FFCDMN Cc1cc(Br)cc(CN2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001233111480 1036354737 /nfs/dbraw/zinc/35/47/37/1036354737.db2.gz PPJKUCFSBDKEHD-CQSZACIVSA-N 0 1 364.243 2.906 20 10 FFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@](O)(CF)CC2)cc1Br ZINC001233135360 1036386250 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Cc1cc2c[nH]nc2c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001455222647 1059729675 /nfs/dbraw/zinc/72/96/75/1059729675.db2.gz DELVQNDTUASBSA-UHFFFAOYSA-N 0 1 363.465 2.553 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)c3cnc4ccccc4c3)cc2)CC1 ZINC001533685223 1063372497 /nfs/dbraw/zinc/37/24/97/1063372497.db2.gz XZUWWSUABYLNMA-UHFFFAOYSA-N 0 1 360.461 2.917 20 10 FFCDMN Cc1cc(CCNC(=O)[C@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001470848985 1064468472 /nfs/dbraw/zinc/46/84/72/1064468472.db2.gz AGDWPMJCFWHSEN-QGZVFWFLSA-N 0 1 369.509 2.721 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)N3CC(C4CCCC4)C3)cc2)CC1 ZINC001471192063 1064597582 /nfs/dbraw/zinc/59/75/82/1064597582.db2.gz VQFBTRSLLJIZKC-UHFFFAOYSA-N 0 1 356.514 2.770 20 10 FFCDMN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2c[nH]nn2)c2ccccc2)c1 ZINC001577072823 1078300283 /nfs/dbraw/zinc/30/02/83/1078300283.db2.gz PHCZJGRWLLRVMX-SGTLLEGYSA-N 0 1 367.409 2.669 20 10 FFCDMN Nc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001580449727 1078806533 /nfs/dbraw/zinc/80/65/33/1078806533.db2.gz UDPMUDLVZLFGLX-UHFFFAOYSA-N 0 1 354.147 2.831 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H](F)Cc3ccccc3)cc2)CC1 ZINC001583476068 1079220965 /nfs/dbraw/zinc/22/09/65/1079220965.db2.gz ROHDWDIBIGHSHZ-FQEVSTJZSA-N 0 1 355.457 2.635 20 10 FFCDMN C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571720 507048003 /nfs/dbraw/zinc/04/80/03/507048003.db2.gz JIEFTGWYFVCWQY-GOSISDBHSA-N 0 1 367.493 2.660 20 10 FFCDMN CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000092095902 508042480 /nfs/dbraw/zinc/04/24/80/508042480.db2.gz QTNHPNWNYZTHKP-NFAWXSAZSA-N 0 1 356.806 2.722 20 10 FFCDMN CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000092095902 508042482 /nfs/dbraw/zinc/04/24/82/508042482.db2.gz QTNHPNWNYZTHKP-NFAWXSAZSA-N 0 1 356.806 2.722 20 10 FFCDMN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000371427558 512395929 /nfs/dbraw/zinc/39/59/29/512395929.db2.gz XCAXRVYWKDNTEJ-QGZVFWFLSA-N 0 1 370.840 2.675 20 10 FFCDMN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000371427557 512396256 /nfs/dbraw/zinc/39/62/56/512396256.db2.gz XCAXRVYWKDNTEJ-KRWDZBQOSA-N 0 1 370.840 2.675 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CCCOC)cc2F)CC1 ZINC000182727806 509396378 /nfs/dbraw/zinc/39/63/78/509396378.db2.gz WDNWAADSJYSFJX-INIZCTEOSA-N 0 1 365.493 2.647 20 10 FFCDMN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000186090184 509518589 /nfs/dbraw/zinc/51/85/89/509518589.db2.gz SOILBSLZZUYYKY-JTQLQIEISA-N 0 1 362.289 2.630 20 10 FFCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000237417611 509644221 /nfs/dbraw/zinc/64/42/21/509644221.db2.gz HKIQBNOCKGBWOT-IAGOWNOFSA-N 0 1 367.493 2.737 20 10 FFCDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCc2c[nH]nc21 ZINC000277713770 510970884 /nfs/dbraw/zinc/97/08/84/510970884.db2.gz JGOSARQBGJTBJF-LBPRGKRZSA-N 0 1 365.231 2.755 20 10 FFCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Cl)CCc1ccccc1 ZINC000282839652 511129868 /nfs/dbraw/zinc/12/98/68/511129868.db2.gz ZWMNUQDARKDVII-UHFFFAOYSA-N 0 1 353.871 2.793 20 10 FFCDMN COC1CCN(c2ccc(C[N@H+]3CCO[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162951 511640188 /nfs/dbraw/zinc/64/01/88/511640188.db2.gz YWMXSJYFKOZQJW-LAUBAEHRSA-N 0 1 360.498 2.682 20 10 FFCDMN COC1CCN(c2ccc(CN3CCO[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162951 511640193 /nfs/dbraw/zinc/64/01/93/511640193.db2.gz YWMXSJYFKOZQJW-LAUBAEHRSA-N 0 1 360.498 2.682 20 10 FFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000367696909 512620103 /nfs/dbraw/zinc/62/01/03/512620103.db2.gz JQZQSELBYVVJLP-OHRKKDJYSA-N 0 1 365.905 2.780 20 10 FFCDMN CC(C)[C@@H](CO)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000554052465 518041960 /nfs/dbraw/zinc/04/19/60/518041960.db2.gz NVOIQFVSWPPQRW-QGZVFWFLSA-N 0 1 371.525 2.789 20 10 FFCDMN CC(C)[C@@H](CO)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000554052465 518041965 /nfs/dbraw/zinc/04/19/65/518041965.db2.gz NVOIQFVSWPPQRW-QGZVFWFLSA-N 0 1 371.525 2.789 20 10 FFCDMN Cc1nc[nH]c1CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000577931885 519327378 /nfs/dbraw/zinc/32/73/78/519327378.db2.gz VADUBGZDRSYYCZ-UHFFFAOYSA-N 0 1 365.481 2.756 20 10 FFCDMN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2cnc[nH]2)CCCC1 ZINC000616921263 520237327 /nfs/dbraw/zinc/23/73/27/520237327.db2.gz KXYNWOSHNSBGBW-UHFFFAOYSA-N 0 1 352.438 2.910 20 10 FFCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738321000 600011551 /nfs/dbraw/zinc/01/15/51/600011551.db2.gz VRQRMVNDNKDVNW-MRXNPFEDSA-N 0 1 370.449 2.679 20 10 FFCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738321000 600011554 /nfs/dbraw/zinc/01/15/54/600011554.db2.gz VRQRMVNDNKDVNW-MRXNPFEDSA-N 0 1 370.449 2.679 20 10 FFCDMN CO[C@H](C)c1noc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505200 601401769 /nfs/dbraw/zinc/40/17/69/601401769.db2.gz IUTJPHLDWKRRTL-LLVKDONJSA-N 0 1 371.393 2.966 20 10 FFCDMN CO[C@H](C)c1noc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505200 601401770 /nfs/dbraw/zinc/40/17/70/601401770.db2.gz IUTJPHLDWKRRTL-LLVKDONJSA-N 0 1 371.393 2.966 20 10 FFCDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193910 604467654 /nfs/dbraw/zinc/46/76/54/604467654.db2.gz PGSYANBUPFJLKS-FQEVSTJZSA-N 0 1 370.424 2.674 20 10 FFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000833874332 605622353 /nfs/dbraw/zinc/62/23/53/605622353.db2.gz IHJVDPBDVIVOLG-UHFFFAOYSA-N 0 1 365.449 2.673 20 10 FFCDMN COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887382 605989336 /nfs/dbraw/zinc/98/93/36/605989336.db2.gz GHIPYQNTPFXUFA-CABCVRRESA-N 0 1 364.442 2.906 20 10 FFCDMN C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524674 /nfs/dbraw/zinc/52/46/74/608524674.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N 0 1 374.788 2.766 20 10 FFCDMN Cc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000826278871 609480337 /nfs/dbraw/zinc/48/03/37/609480337.db2.gz WSABDPGKXOWRDZ-UHFFFAOYSA-N 0 1 363.469 2.539 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)CN(C)[C@H]2CCSC2)cc1F ZINC000155753498 728835639 /nfs/dbraw/zinc/83/56/39/728835639.db2.gz WDPBXKDORFPEFA-HNNXBMFYSA-N 0 1 353.507 2.725 20 10 FFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000093011395 728473015 /nfs/dbraw/zinc/47/30/15/728473015.db2.gz VBQBJPYXRFIPPR-HNNXBMFYSA-N 0 1 369.849 2.641 20 10 FFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011845 728473082 /nfs/dbraw/zinc/47/30/82/728473082.db2.gz IGXLUBYJNKBCEC-OAHLLOKOSA-N 0 1 369.303 2.841 20 10 FFCDMN CC(C)OCCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093586253 728476876 /nfs/dbraw/zinc/47/68/76/728476876.db2.gz YVEJOKMQOJYFFU-UHFFFAOYSA-N 0 1 357.292 2.697 20 10 FFCDMN O=C(CC1(O)CCCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129964614 728714222 /nfs/dbraw/zinc/71/42/22/728714222.db2.gz SRQRHPIYPMRULI-MRXNPFEDSA-N 0 1 366.889 2.821 20 10 FFCDMN CCC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179642181 729191079 /nfs/dbraw/zinc/19/10/79/729191079.db2.gz OBXQQAWCYCIVLZ-GFCCVEGCSA-N 0 1 362.289 2.554 20 10 FFCDMN CC(C)(C)OC(=O)N1CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000228776511 729549533 /nfs/dbraw/zinc/54/95/33/729549533.db2.gz LBDOSKNELSFPGG-UHFFFAOYSA-N 0 1 357.248 2.864 20 10 FFCDMN Nc1nccc([C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862358819 730691383 /nfs/dbraw/zinc/69/13/83/730691383.db2.gz WZJKJFFCZVRXIR-NSHDSACASA-N 0 1 363.259 2.907 20 10 FFCDMN Nc1nccc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862358819 730691387 /nfs/dbraw/zinc/69/13/87/730691387.db2.gz WZJKJFFCZVRXIR-NSHDSACASA-N 0 1 363.259 2.907 20 10 FFCDMN C[C@H](NCc1c(I)cnn1C)c1ccccc1O ZINC000866630472 731081338 /nfs/dbraw/zinc/08/13/38/731081338.db2.gz QEQJYQMXPOIZIC-VIFPVBQESA-N 0 1 357.195 2.581 20 10 FFCDMN COC(=O)c1cnc(SC[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000871981409 731711034 /nfs/dbraw/zinc/71/10/34/731711034.db2.gz WCHQBWWVBHLLOJ-KRWDZBQOSA-N 0 1 364.492 2.659 20 10 FFCDMN COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876727744 732273210 /nfs/dbraw/zinc/27/32/10/732273210.db2.gz AZBYGTYQRWFXPZ-UHFFFAOYSA-N 0 1 353.365 2.682 20 10 FFCDMN O=S1(=O)CCCN1c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000876820954 732285501 /nfs/dbraw/zinc/28/55/01/732285501.db2.gz XJAOKQKZIMIKDQ-UHFFFAOYSA-N 0 1 354.378 2.822 20 10 FFCDMN COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])n1C ZINC000877520999 732379357 /nfs/dbraw/zinc/37/93/57/732379357.db2.gz NTNOILVBHNOQCU-UHFFFAOYSA-N 0 1 353.216 2.570 20 10 FFCDMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350277 738620345 /nfs/dbraw/zinc/62/03/45/738620345.db2.gz ILOARSHMRIJTJC-APWZRJJASA-N 0 1 366.889 2.943 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCc2nncn2CC1 ZINC000880003475 732816838 /nfs/dbraw/zinc/81/68/38/732816838.db2.gz HRPXENWZXBYCDH-SECBINFHSA-N 0 1 355.225 2.559 20 10 FFCDMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000881853595 733120677 /nfs/dbraw/zinc/12/06/77/733120677.db2.gz BUTRRXJDXDCPJZ-MRXNPFEDSA-N 0 1 351.441 2.880 20 10 FFCDMN CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000883473321 733390255 /nfs/dbraw/zinc/39/02/55/733390255.db2.gz WCVSQQWKIUGXBA-SJLPKXTDSA-N 0 1 362.543 2.522 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)NCc2nc(CSC)n[nH]2)cc1 ZINC000884082537 733477230 /nfs/dbraw/zinc/47/72/30/733477230.db2.gz LDOLTFAPFXXPRK-UHFFFAOYSA-N 0 1 362.503 2.513 20 10 FFCDMN CCN(CC)c1ccc(CNC(=O)NCc2nnc(CSC)[nH]2)cc1 ZINC000884082537 733477232 /nfs/dbraw/zinc/47/72/32/733477232.db2.gz LDOLTFAPFXXPRK-UHFFFAOYSA-N 0 1 362.503 2.513 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+](CCO)Cc1cccnc1 ZINC000894002627 734785370 /nfs/dbraw/zinc/78/53/70/734785370.db2.gz UDWKVKLNUIZOFI-UHFFFAOYSA-N 0 1 355.207 2.683 20 10 FFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894093986 734800709 /nfs/dbraw/zinc/80/07/09/734800709.db2.gz JBPVHJPLMKFGRT-LLVKDONJSA-N 0 1 369.238 2.798 20 10 FFCDMN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc(F)c3[O-])[C@H]2C1 ZINC000894857467 734928628 /nfs/dbraw/zinc/92/86/28/734928628.db2.gz OAQHKBQODRIWPL-LSDHHAIUSA-N 0 1 373.266 2.589 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396765 735153042 /nfs/dbraw/zinc/15/30/42/735153042.db2.gz KYWMLQUDYLPPET-BZNIZROVSA-N 0 1 369.259 2.865 20 10 FFCDMN C[C@@]1([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)COC(=O)N1 ZINC000896396765 735153045 /nfs/dbraw/zinc/15/30/45/735153045.db2.gz KYWMLQUDYLPPET-BZNIZROVSA-N 0 1 369.259 2.865 20 10 FFCDMN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000754152964 736130842 /nfs/dbraw/zinc/13/08/42/736130842.db2.gz BYGDSLHHJIWQCF-IZHWHUGBSA-N 0 1 371.865 2.707 20 10 FFCDMN COC1CCN(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756641467 736349217 /nfs/dbraw/zinc/34/92/17/736349217.db2.gz IANZCGAREGBDJN-LBPRGKRZSA-N 0 1 357.292 2.916 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000758775126 736519933 /nfs/dbraw/zinc/51/99/33/736519933.db2.gz RVLZFQALROSONH-UHFFFAOYSA-N 0 1 364.379 2.921 20 10 FFCDMN CS(=O)(=O)[C@H]1CCCN(Cc2cccc(Br)c2O)CC1 ZINC000800533310 740532466 /nfs/dbraw/zinc/53/24/66/740532466.db2.gz AJGWCDHJTBVKGT-LBPRGKRZSA-N 0 1 362.289 2.554 20 10 FFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000766047922 737186500 /nfs/dbraw/zinc/18/65/00/737186500.db2.gz NOJPHGDNSPJKMA-UHFFFAOYSA-N 0 1 364.379 2.921 20 10 FFCDMN CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775501193 738097537 /nfs/dbraw/zinc/09/75/37/738097537.db2.gz CMRFRLSYHWZJNJ-SWLSCSKDSA-N 0 1 357.292 2.916 20 10 FFCDMN CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525178 738099261 /nfs/dbraw/zinc/09/92/61/738099261.db2.gz DSHGVHOXWDIVFT-CABCVRRESA-N 0 1 362.861 2.934 20 10 FFCDMN Oc1ccc(Br)cc1CNCc1nc2c(s1)COCC2 ZINC000922964076 738225506 /nfs/dbraw/zinc/22/55/06/738225506.db2.gz BJXXZYSLUIGUBV-UHFFFAOYSA-N 0 1 355.257 2.974 20 10 FFCDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982952 739305869 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C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[S@@]1=O ZINC000894565195 734880547 /nfs/dbraw/zinc/88/05/47/734880547.db2.gz DSJYXNLPHSPFGL-HOGDKLEQSA-N 0 1 350.253 2.637 20 10 FFCDMN Cc1cc(Br)cc(CN2CCC(N3CN=NC3=O)CC2)c1O ZINC000894609531 734888653 /nfs/dbraw/zinc/88/86/53/734888653.db2.gz YZKIRPLTTYQMSZ-UHFFFAOYSA-N 0 1 367.247 2.597 20 10 FFCDMN CN(C)c1ccc([C@H](CNc2ccccc2S(C)(=O)=O)N(C)C)cc1 ZINC000897526298 735243234 /nfs/dbraw/zinc/24/32/34/735243234.db2.gz YUXUOUBXXWSXIF-SFHVURJKSA-N 0 1 361.511 2.871 20 10 FFCDMN COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CCC1 ZINC000897699633 735267154 /nfs/dbraw/zinc/26/71/54/735267154.db2.gz GRARMXIOQGWGKA-SFHVURJKSA-N 0 1 353.846 2.716 20 10 FFCDMN COc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000901704696 735823379 /nfs/dbraw/zinc/82/33/79/735823379.db2.gz UCBUIZQIVLRXPP-UHFFFAOYSA-N 0 1 353.396 2.527 20 10 FFCDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000754155599 736131494 /nfs/dbraw/zinc/13/14/94/736131494.db2.gz YKAUSPUTLFOYPS-SHACYNPGSA-N 0 1 371.865 2.707 20 10 FFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000756733102 736356790 /nfs/dbraw/zinc/35/67/90/736356790.db2.gz OQNLYBUUBUJVEX-BQSGVUBFSA-N 0 1 353.260 2.815 20 10 FFCDMN C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000763560017 736948142 /nfs/dbraw/zinc/94/81/42/736948142.db2.gz YZUOXKGTNXCJPH-ABAIWWIYSA-N 0 1 358.276 2.983 20 10 FFCDMN O=C(NCc1cc(Cl)ccc1O)C1CCC(N2CCOCC2)CC1 ZINC000911898908 737242633 /nfs/dbraw/zinc/24/26/33/737242633.db2.gz RZQWMMAALVAUJC-UHFFFAOYSA-N 0 1 352.862 2.553 20 10 FFCDMN [O-]c1c(Br)cccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000768250748 737408995 /nfs/dbraw/zinc/40/89/95/737408995.db2.gz CVPLINDQPZOROH-HNNXBMFYSA-N 0 1 369.303 2.841 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)O[C@@H]1CCOC1 ZINC000914156619 737516938 /nfs/dbraw/zinc/51/69/38/737516938.db2.gz CUYTWOXNUQVWRX-HUUCEWRRSA-N 0 1 354.834 2.525 20 10 FFCDMN C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000769381464 737522347 /nfs/dbraw/zinc/52/23/47/737522347.db2.gz ONZAGMCRTBQXRS-HNNXBMFYSA-N 0 1 358.313 2.911 20 10 FFCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)[nH]1 ZINC000770348191 737617947 /nfs/dbraw/zinc/61/79/47/737617947.db2.gz HJCDQUZGFKCZJB-GFCCVEGCSA-N 0 1 351.248 2.961 20 10 FFCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000770348191 737617949 /nfs/dbraw/zinc/61/79/49/737617949.db2.gz HJCDQUZGFKCZJB-GFCCVEGCSA-N 0 1 351.248 2.961 20 10 FFCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000770348191 737617953 /nfs/dbraw/zinc/61/79/53/737617953.db2.gz HJCDQUZGFKCZJB-GFCCVEGCSA-N 0 1 351.248 2.961 20 10 FFCDMN CN1CCN(c2ccc(/C=C3/N=C(c4ccsc4)OC3=O)cc2)CC1 ZINC000771518686 737732077 /nfs/dbraw/zinc/73/20/77/737732077.db2.gz ALWIDFBRIALPRG-SFQUDFHCSA-N 0 1 353.447 2.844 20 10 FFCDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773090702 737870644 /nfs/dbraw/zinc/87/06/44/737870644.db2.gz ZEHKYBBFDDNFJT-NSHDSACASA-N 0 1 367.402 2.839 20 10 FFCDMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775831795 738129913 /nfs/dbraw/zinc/12/99/13/738129913.db2.gz UTKGIIWJXZJVKN-HNNXBMFYSA-N 0 1 362.495 2.886 20 10 FFCDMN COC(=O)[C@@H](CC(F)(F)F)NCc1cccc(Br)c1O ZINC000789580177 739369798 /nfs/dbraw/zinc/36/97/98/739369798.db2.gz OXJLEJBOGGCVNJ-SECBINFHSA-N 0 1 356.138 2.738 20 10 FFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000790411270 739449924 /nfs/dbraw/zinc/44/99/24/739449924.db2.gz IIAKBBUITUYREP-UHFFFAOYSA-N 0 1 353.371 2.681 20 10 FFCDMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792703013 739695946 /nfs/dbraw/zinc/69/59/46/739695946.db2.gz NTMGJSNNQIEFDG-UHFFFAOYSA-N 0 1 371.411 2.841 20 10 FFCDMN CN(CC[NH2+]Cc1c([O-])cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000797880420 740284121 /nfs/dbraw/zinc/28/41/21/740284121.db2.gz WGSNYWQARQEDDQ-UHFFFAOYSA-N 0 1 372.849 2.595 20 10 FFCDMN O=C(NCc1cc(Br)ccc1O)c1n[nH]nc1-c1ccccc1 ZINC000804734374 740900668 /nfs/dbraw/zinc/90/06/68/740900668.db2.gz CHUDZOCDDZLYBG-UHFFFAOYSA-N 0 1 373.210 2.870 20 10 FFCDMN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805259468 740955026 /nfs/dbraw/zinc/95/50/26/740955026.db2.gz HUBCFDQLRNKJLR-UHFFFAOYSA-N 0 1 374.777 2.514 20 10 FFCDMN COCc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ncn1 ZINC000806358567 741054747 /nfs/dbraw/zinc/05/47/47/741054747.db2.gz VYNBXJQPEGKJSE-UHFFFAOYSA-N 0 1 357.197 2.957 20 10 FFCDMN COC(=O)CCCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599189 741073045 /nfs/dbraw/zinc/07/30/45/741073045.db2.gz PHYDOMXOZUDVBL-UHFFFAOYSA-N 0 1 351.255 2.616 20 10 FFCDMN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000806664068 741079132 /nfs/dbraw/zinc/07/91/32/741079132.db2.gz ZHEMTNCUEOODJW-CABZTGNLSA-N 0 1 361.305 2.673 20 10 FFCDMN Cc1noc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513915 741138065 /nfs/dbraw/zinc/13/80/65/741138065.db2.gz YNRREZMFMJDDCD-UHFFFAOYSA-N 0 1 358.181 2.559 20 10 FFCDMN O=C(CNC(=O)c1cccc(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839952 741163339 /nfs/dbraw/zinc/16/33/39/741163339.db2.gz NQCAEDKWWAVXJJ-UHFFFAOYSA-N 0 1 371.195 2.884 20 10 FFCDMN CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000809723201 741336827 /nfs/dbraw/zinc/33/68/27/741336827.db2.gz RIYIPTVXDZZJJV-AWEZNQCLSA-N 0 1 350.415 2.564 20 10 FFCDMN CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209821 741398086 /nfs/dbraw/zinc/39/80/86/741398086.db2.gz WSKFFUARXYQJNO-ZDUSSCGKSA-N 0 1 368.421 2.733 20 10 FFCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815575832 741946123 /nfs/dbraw/zinc/94/61/23/741946123.db2.gz BKPPSIZYEYNUQT-UONOGXRCSA-N 0 1 359.436 2.945 20 10 FFCDMN O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816594056 742045344 /nfs/dbraw/zinc/04/53/44/742045344.db2.gz NQZVNOJVMIHWAJ-QGZVFWFLSA-N 0 1 360.479 2.545 20 10 FFCDMN O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816594056 742045350 /nfs/dbraw/zinc/04/53/50/742045350.db2.gz NQZVNOJVMIHWAJ-QGZVFWFLSA-N 0 1 360.479 2.545 20 10 FFCDMN Cc1cc(C(=O)Nc2n[nH]c3ncnn23)c(C)n1-c1cccc(Cl)c1 ZINC000819981989 742451773 /nfs/dbraw/zinc/45/17/73/742451773.db2.gz VFTVUWJJWYBCJE-UHFFFAOYSA-N 0 1 355.789 2.766 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824560914 743105440 /nfs/dbraw/zinc/10/54/40/743105440.db2.gz MLDBXWXKWQMHIU-AWEZNQCLSA-N 0 1 367.287 2.893 20 10 FFCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824560914 743105446 /nfs/dbraw/zinc/10/54/46/743105446.db2.gz MLDBXWXKWQMHIU-AWEZNQCLSA-N 0 1 367.287 2.893 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000824696560 743129546 /nfs/dbraw/zinc/12/95/46/743129546.db2.gz PCLNFUARKIAWLH-FMKPAKJESA-N 0 1 350.415 2.825 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[O-])CN1 ZINC000824948459 743183968 /nfs/dbraw/zinc/18/39/68/743183968.db2.gz FMRRYQCDHAJGLK-GXTWGEPZSA-N 0 1 353.260 2.645 20 10 FFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[O-])CN1 ZINC000824948459 743183972 /nfs/dbraw/zinc/18/39/72/743183972.db2.gz FMRRYQCDHAJGLK-GXTWGEPZSA-N 0 1 353.260 2.645 20 10 FFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000825132276 743216060 /nfs/dbraw/zinc/21/60/60/743216060.db2.gz ZZPVOKVAVCVURD-KRWDZBQOSA-N 0 1 356.919 2.652 20 10 FFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000825803905 743329959 /nfs/dbraw/zinc/32/99/59/743329959.db2.gz MFSBLPKQPAATFR-BBRMVZONSA-N 0 1 370.287 2.812 20 10 FFCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])C1(O)CCOCC1 ZINC000826131452 743370188 /nfs/dbraw/zinc/37/01/88/743370188.db2.gz SXVQPEJTCSLQKJ-UHFFFAOYSA-N 0 1 358.276 2.812 20 10 FFCDMN CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC000827086257 743502726 /nfs/dbraw/zinc/50/27/26/743502726.db2.gz JWTGUPQJXMANFI-GFCCVEGCSA-N 0 1 374.268 2.898 20 10 FFCDMN C[C@@H]1C[C@@H](S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000831543298 745544829 /nfs/dbraw/zinc/54/48/29/745544829.db2.gz DKJXMZZJIXWEIH-KCJUWKMLSA-N 0 1 354.255 2.686 20 10 FFCDMN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000831905554 745603064 /nfs/dbraw/zinc/60/30/64/745603064.db2.gz KSUPPMKKZBEPBJ-MRXNPFEDSA-N 0 1 356.495 2.625 20 10 FFCDMN C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(Br)cc1[O-] ZINC000834850960 745913812 /nfs/dbraw/zinc/91/38/12/745913812.db2.gz RHUHWVIEJGWHGE-JSGCOSHPSA-N 0 1 357.292 2.652 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)c(F)cc3O)[C@H](C)C2)[nH]n1 ZINC000835072533 745945141 /nfs/dbraw/zinc/94/51/41/745945141.db2.gz CCZIEYOZPKQFRG-LLVKDONJSA-N 0 1 366.824 2.563 20 10 FFCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)c(F)cc3O)[C@H](C)C2)n[nH]1 ZINC000835072533 745945143 /nfs/dbraw/zinc/94/51/43/745945143.db2.gz CCZIEYOZPKQFRG-LLVKDONJSA-N 0 1 366.824 2.563 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)NCC[C@H](C)F)cc2F)CC1 ZINC000836483228 746234856 /nfs/dbraw/zinc/23/48/56/746234856.db2.gz QDICILOLONHRPO-AWEZNQCLSA-N 0 1 354.445 2.515 20 10 FFCDMN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841746426 747447493 /nfs/dbraw/zinc/44/74/93/747447493.db2.gz GPFIWAOEUIUZLZ-GFCCVEGCSA-N 0 1 354.859 2.675 20 10 FFCDMN C[NH+](C)C[C@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccc(Cl)cc1 ZINC000846656701 748520484 /nfs/dbraw/zinc/52/04/84/748520484.db2.gz NUHCWUFRJBHOSH-LBPRGKRZSA-N 0 1 366.820 2.966 20 10 FFCDMN CCC(CC)(CO)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847591376 748736548 /nfs/dbraw/zinc/73/65/48/748736548.db2.gz UVXDPJAWCHVAND-INIZCTEOSA-N 0 1 368.905 2.925 20 10 FFCDMN O=[S@](CC[NH2+]Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000850347895 749347064 /nfs/dbraw/zinc/34/70/64/749347064.db2.gz ABJYCAPTRULSJQ-LJQANCHMSA-N 0 1 360.195 2.555 20 10 FFCDMN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001275837657 1013067223 /nfs/dbraw/zinc/06/72/23/1013067223.db2.gz LCVYBBFLHBWKDE-IUIKQTSFSA-N 0 1 350.846 2.588 20 10 FFCDMN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(O)cccc1Cl ZINC001275837657 1013067232 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ZINC001289419553 1047667773 /nfs/dbraw/zinc/66/77/73/1047667773.db2.gz HLTHXTCALFJFCP-UHFFFAOYSA-N 0 1 356.518 2.540 20 10 FFCDMN CN1CCN(c2ccc(C[NH2+]C[C@@H](CCC(=O)[O-])C(F)(F)F)cc2)CC1 ZINC001328487454 1048323489 /nfs/dbraw/zinc/32/34/89/1048323489.db2.gz JTGAEFLTZCYMSL-OAHLLOKOSA-N 0 1 373.419 2.571 20 10 FFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001329155737 1048598752 /nfs/dbraw/zinc/59/87/52/1048598752.db2.gz DVEAGVQHFCFKMS-CXAGYDPISA-N 0 1 366.255 2.729 20 10 FFCDMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737673325 1048655793 /nfs/dbraw/zinc/65/57/93/1048655793.db2.gz ALNSIHQGLWJRIA-LLVKDONJSA-N 0 1 374.828 2.850 20 10 FFCDMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001330213869 1049084439 /nfs/dbraw/zinc/08/44/39/1049084439.db2.gz LAZKGOKLVQMWBQ-QZTJIDSGSA-N 0 1 368.481 2.711 20 10 FFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC=CO1 ZINC001294860730 1049822629 /nfs/dbraw/zinc/82/26/29/1049822629.db2.gz XKAHOHGTWUSMSM-WBVHZDCISA-N 0 1 350.846 2.819 20 10 FFCDMN CCOc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC001341407560 1051765248 /nfs/dbraw/zinc/76/52/48/1051765248.db2.gz XOOBFMDXZHUNAN-KRWDZBQOSA-N 0 1 354.454 2.577 20 10 FFCDMN O=C1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1CC1CC1 ZINC001308502534 1052462344 /nfs/dbraw/zinc/46/23/44/1052462344.db2.gz UDHSYYIFNMNYKN-QGZVFWFLSA-N 0 1 372.469 2.686 20 10 FFCDMN CC(C)OC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC001308701261 1052488289 /nfs/dbraw/zinc/48/82/89/1052488289.db2.gz HTDRHLFZWAIXLM-ZDUSSCGKSA-N 0 1 362.239 2.920 20 10 FFCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001335541087 1053423111 /nfs/dbraw/zinc/42/31/11/1053423111.db2.gz VXMCGPKJMGOIEP-HNNXBMFYSA-N 0 1 353.470 2.689 20 10 FFCDMN COC(=O)c1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000848893852 1055317523 /nfs/dbraw/zinc/31/75/23/1055317523.db2.gz ISNANYXWPHQWJH-UHFFFAOYSA-N 0 1 362.401 2.640 20 10 FFCDMN COc1cc(N2CCN(CCc3ccns3)CC2)cc(OC)c1OC ZINC001351301329 1056182156 /nfs/dbraw/zinc/18/21/56/1056182156.db2.gz JRNPNTDAWJBYQG-UHFFFAOYSA-N 0 1 363.483 2.534 20 10 FFCDMN C[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(N2CCOCC2)cc1 ZINC001544214799 1071613015 /nfs/dbraw/zinc/61/30/15/1071613015.db2.gz FCQMKAQTCMNCKZ-AWEZNQCLSA-N 0 1 350.422 2.891 20 10 FFCDMN CCOC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001545632720 1071822346 /nfs/dbraw/zinc/82/23/46/1071822346.db2.gz TVZLRMPGGSXAOF-HNNXBMFYSA-N 0 1 354.878 2.941 20 10 FFCDMN CN(C)C1(CS(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)CC1 ZINC001475426882 1061084863 /nfs/dbraw/zinc/08/48/63/1061084863.db2.gz WXHDDCZBSOELKM-UHFFFAOYSA-N 0 1 362.495 2.860 20 10 FFCDMN CCC(CC)CS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001475766190 1061259789 /nfs/dbraw/zinc/25/97/89/1061259789.db2.gz OQPJIVZUPTWYPE-SFHVURJKSA-N 0 1 355.548 2.711 20 10 FFCDMN CCOc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001462469713 1061637007 /nfs/dbraw/zinc/63/70/07/1061637007.db2.gz TXVNHPVTXMVHBG-UHFFFAOYSA-N 0 1 353.466 2.767 20 10 FFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)cc2F)CC1 ZINC001530377110 1062555269 /nfs/dbraw/zinc/55/52/69/1062555269.db2.gz OCQQZLNODWDDLX-DZOHQFGASA-N 0 1 359.489 2.876 20 10 FFCDMN Cc1cc(CC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001468120008 1063929459 /nfs/dbraw/zinc/92/94/59/1063929459.db2.gz ZRZSDZRZOSGXHX-HDICACEKSA-N 0 1 369.509 2.550 20 10 FFCDMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001473237307 1065227073 /nfs/dbraw/zinc/22/70/73/1065227073.db2.gz BRFVHJCMFMZIJI-RBUKOAKNSA-N 0 1 361.530 2.894 20 10 FFCDMN Cc1cc(Br)cc(CN[C@@H](C)c2nnc3n2CCC3)c1O ZINC001474392394 1065510265 /nfs/dbraw/zinc/51/02/65/1065510265.db2.gz WUTWVIPUOMWPAZ-JTQLQIEISA-N 0 1 351.248 2.852 20 10 FFCDMN CCN1CC[C@@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965965 1074799777 /nfs/dbraw/zinc/79/97/77/1074799777.db2.gz HJNHTRAQSICHIU-CQSZACIVSA-N 0 1 350.426 2.612 20 10 FFCDMN CC[N@@H+](Cc1c(C(=O)[O-])cnn1C)Cc1cc(Br)ccc1O ZINC001589736154 1080693761 /nfs/dbraw/zinc/69/37/61/1080693761.db2.gz IYWJXLAGBVJUQB-UHFFFAOYSA-N 0 1 368.231 2.609 20 10 FFCDMN CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000038082783 506435009 /nfs/dbraw/zinc/43/50/09/506435009.db2.gz KPCCYKSTCMKUME-GWCFXTLKSA-N 0 1 362.289 2.630 20 10 FFCDMN COc1ccc(CCNC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1OC ZINC000112583734 508199258 /nfs/dbraw/zinc/19/92/58/508199258.db2.gz WTTCMAPRTDDVMM-HNNXBMFYSA-N 0 1 372.465 2.589 20 10 FFCDMN O=C(Cc1cccnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134260747 508514447 /nfs/dbraw/zinc/51/44/47/508514447.db2.gz HMORGLQMLQONLQ-KRWDZBQOSA-N 0 1 359.857 2.764 20 10 FFCDMN COc1cccc(CN2CCN(c3ncnc4sccc43)CC2)c1O ZINC000125655698 509011949 /nfs/dbraw/zinc/01/19/49/509011949.db2.gz ZEKGGCLEAOQQFW-UHFFFAOYSA-N 0 1 356.451 2.728 20 10 FFCDMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182533654 509290935 /nfs/dbraw/zinc/29/09/35/509290935.db2.gz JEJWULBJLQLFAT-OAHLLOKOSA-N 0 1 368.481 2.678 20 10 FFCDMN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000186111087 509528604 /nfs/dbraw/zinc/52/86/04/509528604.db2.gz RXWYMEURRJHMCC-PWSUYJOCSA-N 0 1 356.264 2.609 20 10 FFCDMN Cn1ccnc1[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000183254763 509682132 /nfs/dbraw/zinc/68/21/32/509682132.db2.gz OXPFEDODNHESJK-HXUWFJFHSA-N 0 1 354.498 2.870 20 10 FFCDMN Cc1n[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC000265188277 509909551 /nfs/dbraw/zinc/90/95/51/509909551.db2.gz HACMDMILDDOQHW-TXEJJXNPSA-N 0 1 360.433 2.709 20 10 FFCDMN COc1c([O-])c(C[NH2+]CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278517348 510995581 /nfs/dbraw/zinc/99/55/81/510995581.db2.gz RFMHDAKPSLPMDH-UHFFFAOYSA-N 0 1 359.382 2.654 20 10 FFCDMN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750713 511006716 /nfs/dbraw/zinc/00/67/16/511006716.db2.gz SDXWIMXZGJCXSU-FZMZJTMJSA-N 0 1 364.269 2.545 20 10 FFCDMN COc1c(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886424 511012284 /nfs/dbraw/zinc/01/22/84/511012284.db2.gz OZNOXZKRQUNOCZ-HIFRSBDPSA-N 0 1 362.382 2.990 20 10 FFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886424 511012290 /nfs/dbraw/zinc/01/22/90/511012290.db2.gz OZNOXZKRQUNOCZ-HIFRSBDPSA-N 0 1 362.382 2.990 20 10 FFCDMN CN(Cc1cccs1)c1ccc(CN[C@H](CO)c2cnn(C)c2)cc1 ZINC000295354478 511373881 /nfs/dbraw/zinc/37/38/81/511373881.db2.gz ISHROYSSJYTQNQ-LJQANCHMSA-N 0 1 356.495 2.941 20 10 FFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCOCC2)O1 ZINC000280382492 511445031 /nfs/dbraw/zinc/44/50/31/511445031.db2.gz FNMLGAZPONQTCZ-LLVKDONJSA-N 0 1 356.806 2.724 20 10 FFCDMN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273424184 511526491 /nfs/dbraw/zinc/52/64/91/511526491.db2.gz SZLISKBIEIRMSE-NSHDSACASA-N 0 1 354.859 2.805 20 10 FFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284150339 511623513 /nfs/dbraw/zinc/62/35/13/511623513.db2.gz PKLRVBSRAAGASV-GOSISDBHSA-N 0 1 350.528 2.934 20 10 FFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCc2n[nH]cc2C1 ZINC000376329365 512770328 /nfs/dbraw/zinc/77/03/28/512770328.db2.gz AGRJGUMFPUPSKL-NSHDSACASA-N 0 1 355.225 2.779 20 10 FFCDMN CC[C@@H](COC)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435870388 513704648 /nfs/dbraw/zinc/70/46/48/513704648.db2.gz FQUWGUYDTFPQJZ-INIZCTEOSA-N 0 1 357.498 2.949 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCOC2)C1 ZINC000435871414 513704907 /nfs/dbraw/zinc/70/49/07/513704907.db2.gz SOGRFDNZJQYRMN-JOCHJYFZSA-N 0 1 369.509 2.951 20 10 FFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)C2)C1 ZINC000510679845 515633464 /nfs/dbraw/zinc/63/34/64/515633464.db2.gz FGQYYMNYXBQSRC-MRXNPFEDSA-N 0 1 355.482 2.655 20 10 FFCDMN COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000737695848 600144144 /nfs/dbraw/zinc/14/41/44/600144144.db2.gz JLTXDARTHJJDDB-UHFFFAOYSA-N 0 1 363.797 2.919 20 10 FFCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1O ZINC000833897412 605996069 /nfs/dbraw/zinc/99/60/69/605996069.db2.gz KEBLQMWGUXJOOI-WDEREUQCSA-N 0 1 357.248 2.941 20 10 FFCDMN